NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
633986 | 6nbn | 30550 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 16.894 7.988 -16.011 2 H2 MET 1 2H MET 1 15.873 9.021 -16.875 3 H3 MET 1 3H MET 1 16.320 7.526 -17.534 4 HA MET 1 HA MET 1 14.071 7.474 -16.703 5 HB2 MET 1 1HB MET 1 14.309 5.502 -15.202 6 HB3 MET 1 2HB MET 1 15.270 5.385 -16.667 7 HG2 MET 1 1HG MET 1 17.259 6.079 -15.368 8 HG3 MET 1 2HG MET 1 16.270 6.072 -13.910 9 HE1 MET 1 1HE MET 1 15.318 2.292 -13.582 10 HE2 MET 1 2HE MET 1 14.387 3.532 -14.420 11 HE3 MET 1 3HE MET 1 15.167 3.903 -12.882 12 H GLU 2 H GLU 2 13.071 9.104 -15.702 13 HA GLU 2 HA GLU 2 14.135 10.101 -13.190 14 HB2 GLU 2 1HB GLU 2 11.951 11.162 -14.974 15 HB3 GLU 2 2HB GLU 2 12.473 11.919 -13.480 16 HG2 GLU 2 1HG GLU 2 13.485 13.073 -15.295 17 HG3 GLU 2 2HG GLU 2 14.742 12.162 -14.468 18 H PHE 3 H PHE 3 13.513 9.192 -11.421 19 HA PHE 3 HA PHE 3 10.799 8.114 -11.181 20 HB2 PHE 3 1HB PHE 3 12.582 6.561 -10.622 21 HB3 PHE 3 2HB PHE 3 13.261 7.710 -9.465 22 HD1 PHE 3 HD1 PHE 3 12.530 7.739 -7.249 23 HD2 PHE 3 HD2 PHE 3 10.301 5.610 -10.170 24 HE1 PHE 3 HE1 PHE 3 11.155 6.743 -5.465 25 HE2 PHE 3 HE2 PHE 3 8.917 4.607 -8.398 26 HZ PHE 3 HZ PHE 3 9.344 5.175 -6.041 27 H THR 4 H THR 4 9.339 9.331 -10.231 28 HA THR 4 HA THR 4 10.214 11.436 -8.378 29 HB THR 4 HB THR 4 7.382 11.450 -9.079 30 HG1 THR 4 HG1 THR 4 7.639 11.104 -11.158 31 HG21 THR 4 1HG2 THR 4 9.631 13.436 -9.346 32 HG22 THR 4 2HG2 THR 4 8.489 13.308 -8.010 33 HG23 THR 4 3HG2 THR 4 7.926 13.796 -9.607 34 H VAL 5 H VAL 5 10.159 10.870 -6.334 35 HA VAL 5 HA VAL 5 8.570 8.695 -5.357 36 HB VAL 5 HB VAL 5 9.690 8.868 -3.393 37 HG11 VAL 5 1HG1 VAL 5 11.472 10.688 -4.974 38 HG12 VAL 5 2HG1 VAL 5 11.398 8.936 -5.141 39 HG13 VAL 5 3HG1 VAL 5 11.929 9.654 -3.623 40 HG21 VAL 5 1HG2 VAL 5 10.308 10.934 -2.234 41 HG22 VAL 5 2HG2 VAL 5 8.590 10.894 -2.624 42 HG23 VAL 5 3HG2 VAL 5 9.689 11.876 -3.591 43 H SER 6 H SER 6 6.704 8.718 -4.221 44 HA SER 6 HA SER 6 5.066 11.069 -4.669 45 HB2 SER 6 1HB SER 6 3.227 9.512 -3.870 46 HB3 SER 6 2HB SER 6 4.075 9.010 -5.332 47 HG SER 6 HG SER 6 4.934 8.123 -2.801 48 H THR 7 H THR 7 5.240 12.622 -3.154 49 HA THR 7 HA THR 7 5.677 11.957 -0.377 50 HB THR 7 HB THR 7 5.591 14.389 0.018 51 HG1 THR 7 HG1 THR 7 4.925 14.448 -2.764 52 HG21 THR 7 1HG2 THR 7 7.570 14.998 -1.300 53 HG22 THR 7 2HG2 THR 7 7.304 13.598 -2.341 54 HG23 THR 7 3HG2 THR 7 7.709 13.368 -0.640 55 H THR 8 H THR 8 4.196 13.447 1.175 56 HA THR 8 HA THR 8 1.707 12.173 1.241 57 HB THR 8 HB THR 8 2.332 14.779 2.619 58 HG1 THR 8 HG1 THR 8 3.746 12.557 2.770 59 HG21 THR 8 1HG2 THR 8 0.591 12.420 3.338 60 HG22 THR 8 2HG2 THR 8 0.042 14.029 2.870 61 HG23 THR 8 3HG2 THR 8 0.903 13.801 4.389 62 H GLU 9 H GLU 9 2.675 15.285 -0.071 63 HA GLU 9 HA GLU 9 0.090 16.309 -0.509 64 HB2 GLU 9 1HB GLU 9 2.601 16.942 -2.058 65 HB3 GLU 9 2HB GLU 9 1.157 17.938 -1.939 66 HG2 GLU 9 1HG GLU 9 3.080 17.276 0.276 67 HG3 GLU 9 2HG GLU 9 2.872 18.834 -0.521 68 H ASP 10 H ASP 10 2.312 14.458 -2.542 69 HA ASP 10 HA ASP 10 0.684 14.450 -4.862 70 HB2 ASP 10 1HB ASP 10 2.696 12.335 -4.061 71 HB3 ASP 10 2HB ASP 10 2.100 12.684 -5.682 72 H LEU 11 H LEU 11 0.958 12.406 -2.046 73 HA LEU 11 HA LEU 11 -0.607 10.270 -2.938 74 HB2 LEU 11 1HB LEU 11 0.867 10.044 -1.051 75 HB3 LEU 11 2HB LEU 11 -0.062 11.236 -0.133 76 HG LEU 11 HG LEU 11 -1.995 9.662 -0.210 77 HD11 LEU 11 1HD1 LEU 11 -1.635 7.367 -0.848 78 HD12 LEU 11 2HD1 LEU 11 0.037 7.720 -1.285 79 HD13 LEU 11 3HD1 LEU 11 -1.285 8.427 -2.212 80 HD21 LEU 11 1HD2 LEU 11 -0.435 9.811 1.711 81 HD22 LEU 11 2HD2 LEU 11 0.501 8.491 1.007 82 HD23 LEU 11 3HD2 LEU 11 -1.161 8.218 1.523 83 H GLN 12 H GLN 12 -1.457 13.310 -1.387 84 HA GLN 12 HA GLN 12 -4.157 12.622 -0.830 85 HB2 GLN 12 1HB GLN 12 -2.802 15.299 -1.135 86 HB3 GLN 12 2HB GLN 12 -4.490 15.121 -0.687 87 HG2 GLN 12 1HG GLN 12 -3.774 13.833 1.305 88 HG3 GLN 12 2HG GLN 12 -2.100 14.170 0.867 89 HE21 GLN 12 1HE2 GLN 12 -1.288 16.240 1.126 90 HE22 GLN 12 2HE2 GLN 12 -2.112 17.452 2.042 91 H ARG 13 H ARG 13 -2.493 13.513 -3.660 92 HA ARG 13 HA ARG 13 -4.813 14.464 -5.084 93 HB2 ARG 13 1HB ARG 13 -2.051 13.726 -6.055 94 HB3 ARG 13 2HB ARG 13 -3.303 14.463 -7.046 95 HG2 ARG 13 1HG ARG 13 -3.284 16.450 -5.703 96 HG3 ARG 13 2HG ARG 13 -2.149 15.707 -4.559 97 HD2 ARG 13 1HD ARG 13 -0.507 15.524 -6.404 98 HD3 ARG 13 2HD ARG 13 -1.630 16.394 -7.447 99 HE ARG 13 HE ARG 13 -1.388 18.106 -5.425 100 HH11 ARG 13 1HH1 ARG 13 1.047 16.310 -7.185 101 HH12 ARG 13 2HH1 ARG 13 2.288 17.495 -6.937 102 HH21 ARG 13 1HH2 ARG 13 0.246 19.676 -5.095 103 HH22 ARG 13 2HH2 ARG 13 1.827 19.417 -5.757 104 H TYR 14 H TYR 14 -2.679 11.619 -5.371 105 HA TYR 14 HA TYR 14 -4.160 10.209 -7.266 106 HB2 TYR 14 1HB TYR 14 -2.608 8.977 -4.979 107 HB3 TYR 14 2HB TYR 14 -3.027 8.209 -6.500 108 HD1 TYR 14 HD1 TYR 14 -0.302 9.165 -4.888 109 HD2 TYR 14 HD2 TYR 14 -2.291 10.138 -8.520 110 HE1 TYR 14 HE1 TYR 14 1.834 9.894 -5.855 111 HE2 TYR 14 HE2 TYR 14 -0.153 10.864 -9.499 112 HH TYR 14 HH TYR 14 2.854 10.176 -8.059 113 H ARG 15 H ARG 15 -4.397 10.203 -3.752 114 HA ARG 15 HA ARG 15 -6.242 8.089 -3.555 115 HB2 ARG 15 1HB ARG 15 -5.520 8.293 -1.461 116 HB3 ARG 15 2HB ARG 15 -4.832 9.869 -1.819 117 HG2 ARG 15 1HG ARG 15 -6.934 10.944 -1.253 118 HG3 ARG 15 2HG ARG 15 -7.684 9.367 -0.981 119 HD2 ARG 15 1HD ARG 15 -6.090 8.915 0.820 120 HD3 ARG 15 2HD ARG 15 -5.332 10.481 0.556 121 HE ARG 15 HE ARG 15 -7.819 11.233 1.060 122 HH11 ARG 15 1HH1 ARG 15 -5.843 8.808 2.629 123 HH12 ARG 15 2HH1 ARG 15 -6.551 9.058 4.192 124 HH21 ARG 15 1HH2 ARG 15 -8.776 11.564 3.113 125 HH22 ARG 15 2HH2 ARG 15 -8.248 10.613 4.463 126 H THR 16 H THR 16 -6.633 11.559 -3.873 127 HA THR 16 HA THR 16 -9.391 11.700 -3.369 128 HB THR 16 HB THR 16 -7.510 13.422 -4.965 129 HG1 THR 16 HG1 THR 16 -7.123 13.851 -2.912 130 HG21 THR 16 1HG2 THR 16 -9.275 15.119 -5.081 131 HG22 THR 16 2HG2 THR 16 -10.418 13.971 -4.380 132 HG23 THR 16 3HG2 THR 16 -9.717 13.659 -5.969 133 H GLU 17 H GLU 17 -7.585 11.391 -6.417 134 HA GLU 17 HA GLU 17 -9.855 11.332 -8.100 135 HB2 GLU 17 1HB GLU 17 -7.243 9.963 -8.743 136 HB3 GLU 17 2HB GLU 17 -8.410 10.663 -9.848 137 HG2 GLU 17 1HG GLU 17 -6.753 12.249 -7.908 138 HG3 GLU 17 2HG GLU 17 -6.408 12.049 -9.632 139 H CYS 18 H CYS 18 -8.081 8.743 -6.466 140 HA CYS 18 HA CYS 18 -9.515 6.623 -7.659 141 HB2 CYS 18 1HB CYS 18 -8.072 6.776 -5.005 142 HB3 CYS 18 2HB CYS 18 -8.765 5.292 -5.678 143 H VAL 19 H VAL 19 -10.134 8.662 -4.876 144 HA VAL 19 HA VAL 19 -12.303 7.224 -3.829 145 HB VAL 19 HB VAL 19 -11.378 10.060 -3.555 146 HG11 VAL 19 1HG1 VAL 19 -13.206 10.544 -2.027 147 HG12 VAL 19 2HG1 VAL 19 -13.930 8.971 -2.365 148 HG13 VAL 19 3HG1 VAL 19 -13.825 10.186 -3.642 149 HG21 VAL 19 1HG2 VAL 19 -10.246 8.371 -2.261 150 HG22 VAL 19 2HG2 VAL 19 -11.783 7.760 -1.648 151 HG23 VAL 19 3HG2 VAL 19 -11.224 9.368 -1.183 152 H SER 20 H SER 20 -12.209 10.037 -5.986 153 HA SER 20 HA SER 20 -15.007 10.178 -6.334 154 HB2 SER 20 1HB SER 20 -13.478 12.068 -6.707 155 HB3 SER 20 2HB SER 20 -12.810 11.249 -8.116 156 HG SER 20 HG SER 20 -15.170 11.223 -8.805 157 H SER 21 H SER 21 -12.636 8.127 -7.813 158 HA SER 21 HA SER 21 -14.293 7.629 -10.151 159 HB2 SER 21 1HB SER 21 -11.660 6.410 -9.297 160 HB3 SER 21 2HB SER 21 -12.448 6.165 -10.857 161 HG SER 21 HG SER 21 -11.058 8.365 -9.872 162 H LEU 22 H LEU 22 -13.129 5.859 -7.280 163 HA LEU 22 HA LEU 22 -14.608 3.498 -8.071 164 HB2 LEU 22 1HB LEU 22 -12.887 4.133 -5.680 165 HB3 LEU 22 2HB LEU 22 -13.694 2.579 -5.911 166 HG LEU 22 HG LEU 22 -11.721 3.731 -7.878 167 HD11 LEU 22 1HD1 LEU 22 -10.124 2.116 -6.911 168 HD12 LEU 22 2HD1 LEU 22 -11.291 1.762 -5.636 169 HD13 LEU 22 3HD1 LEU 22 -10.589 3.374 -5.766 170 HD21 LEU 22 1HD2 LEU 22 -11.663 1.478 -8.743 171 HD22 LEU 22 2HD2 LEU 22 -13.324 2.073 -8.734 172 HD23 LEU 22 3HD2 LEU 22 -12.785 0.941 -7.492 173 H ASN 23 H ASN 23 -15.758 6.210 -7.036 174 HA ASN 23 HA ASN 23 -17.553 6.956 -5.856 175 HB2 ASN 23 1HB ASN 23 -18.588 5.181 -7.294 176 HB3 ASN 23 2HB ASN 23 -18.477 4.086 -5.932 177 HD21 ASN 23 1HD2 ASN 23 -19.260 7.513 -5.849 178 HD22 ASN 23 2HD2 ASN 23 -20.871 7.310 -5.248 179 H ILE 24 H ILE 24 -15.272 6.212 -4.304 180 HA ILE 24 HA ILE 24 -15.965 4.710 -2.015 181 HB ILE 24 HB ILE 24 -13.886 6.894 -2.159 182 HG12 ILE 24 1HG1 ILE 24 -13.579 5.302 -4.027 183 HG13 ILE 24 2HG1 ILE 24 -12.285 5.169 -2.839 184 HG21 ILE 24 1HG2 ILE 24 -14.123 4.434 -0.428 185 HG22 ILE 24 2HG2 ILE 24 -14.376 6.102 0.087 186 HG23 ILE 24 3HG2 ILE 24 -12.772 5.567 -0.418 187 HD11 ILE 24 1HD1 ILE 24 -14.637 3.313 -3.119 188 HD12 ILE 24 2HD1 ILE 24 -13.355 3.174 -1.914 189 HD13 ILE 24 3HD1 ILE 24 -12.980 2.988 -3.628 190 HA PRO 25 HA PRO 25 -18.696 7.721 -0.128 191 HB2 PRO 25 1HB PRO 25 -18.295 6.044 2.254 192 HB3 PRO 25 2HB PRO 25 -19.787 6.471 1.414 193 HG2 PRO 25 1HG PRO 25 -18.735 4.007 1.295 194 HG3 PRO 25 2HG PRO 25 -19.615 4.735 -0.060 195 HD2 PRO 25 1HD PRO 25 -16.674 4.371 0.319 196 HD3 PRO 25 2HD PRO 25 -17.652 4.271 -1.169 197 H ALA 26 H ALA 26 -18.364 9.483 1.021 198 HA ALA 26 HA ALA 26 -15.790 10.371 1.623 199 HB1 ALA 26 1HB ALA 26 -18.412 11.408 2.680 200 HB2 ALA 26 2HB ALA 26 -17.682 11.844 1.136 201 HB3 ALA 26 3HB ALA 26 -16.885 12.288 2.647 202 H ASP 27 H ASP 27 -18.221 8.844 3.637 203 HA ASP 27 HA ASP 27 -17.165 9.285 6.168 204 HB2 ASP 27 1HB ASP 27 -19.329 8.219 5.771 205 HB3 ASP 27 2HB ASP 27 -18.520 6.785 5.144 206 H TYR 28 H TYR 28 -16.403 6.663 3.874 207 HA TYR 28 HA TYR 28 -14.489 5.375 5.454 208 HB2 TYR 28 1HB TYR 28 -15.016 5.466 2.497 209 HB3 TYR 28 2HB TYR 28 -13.625 4.582 3.128 210 HD1 TYR 28 HD1 TYR 28 -13.911 2.383 3.966 211 HD2 TYR 28 HD2 TYR 28 -17.318 4.851 3.355 212 HE1 TYR 28 HE1 TYR 28 -15.379 0.459 4.404 213 HE2 TYR 28 HE2 TYR 28 -18.794 2.937 3.790 214 HH TYR 28 HH TYR 28 -18.746 0.534 3.742 215 H VAL 29 H VAL 29 -14.261 8.041 3.179 216 HA VAL 29 HA VAL 29 -11.480 8.228 2.964 217 HB VAL 29 HB VAL 29 -13.496 10.457 2.809 218 HG11 VAL 29 1HG1 VAL 29 -11.794 11.486 1.313 219 HG12 VAL 29 2HG1 VAL 29 -10.678 10.203 1.782 220 HG13 VAL 29 3HG1 VAL 29 -11.271 11.342 2.990 221 HG21 VAL 29 1HG2 VAL 29 -14.100 8.678 1.309 222 HG22 VAL 29 2HG2 VAL 29 -12.447 8.582 0.704 223 HG23 VAL 29 3HG2 VAL 29 -13.423 10.015 0.377 224 H GLU 30 H GLU 30 -13.740 9.656 5.283 225 HA GLU 30 HA GLU 30 -11.925 11.217 6.764 226 HB2 GLU 30 1HB GLU 30 -14.217 9.719 8.022 227 HB3 GLU 30 2HB GLU 30 -13.511 11.257 8.488 228 HG2 GLU 30 1HG GLU 30 -15.036 10.820 5.945 229 HG3 GLU 30 2HG GLU 30 -15.720 11.470 7.431 230 H LYS 31 H LYS 31 -12.766 7.787 7.016 231 HA LYS 31 HA LYS 31 -11.250 7.193 9.311 232 HB2 LYS 31 1HB LYS 31 -11.902 5.406 6.958 233 HB3 LYS 31 2HB LYS 31 -11.262 4.863 8.514 234 HG2 LYS 31 1HG LYS 31 -13.299 5.746 9.608 235 HG3 LYS 31 2HG LYS 31 -13.938 6.149 8.012 236 HD2 LYS 31 1HD LYS 31 -13.781 3.785 7.361 237 HD3 LYS 31 2HD LYS 31 -13.179 3.391 8.984 238 HE2 LYS 31 1HE LYS 31 -15.855 4.671 8.425 239 HE3 LYS 31 2HE LYS 31 -15.616 2.943 8.680 240 HZ1 LYS 31 1HZ LYS 31 -14.685 3.486 10.880 241 HZ2 LYS 31 2HZ LYS 31 -16.302 3.957 10.715 242 HZ3 LYS 31 3HZ LYS 31 -15.074 5.114 10.626 243 H PHE 32 H PHE 32 -10.463 6.962 5.872 244 HA PHE 32 HA PHE 32 -7.887 5.957 6.079 245 HB2 PHE 32 1HB PHE 32 -8.892 7.863 3.967 246 HB3 PHE 32 2HB PHE 32 -7.540 6.749 3.817 247 HD1 PHE 32 HD1 PHE 32 -8.976 4.412 5.230 248 HD2 PHE 32 HD2 PHE 32 -10.099 7.048 2.087 249 HE1 PHE 32 HE1 PHE 32 -10.480 2.694 4.327 250 HE2 PHE 32 HE2 PHE 32 -11.613 5.331 1.188 251 HZ PHE 32 HZ PHE 32 -11.801 3.147 2.303 252 H LYS 33 H LYS 33 -9.044 9.247 6.400 253 HA LYS 33 HA LYS 33 -6.525 10.541 6.183 254 HB2 LYS 33 1HB LYS 33 -8.992 11.493 6.154 255 HB3 LYS 33 2HB LYS 33 -8.708 11.661 7.883 256 HG2 LYS 33 1HG LYS 33 -6.759 13.037 7.474 257 HG3 LYS 33 2HG LYS 33 -6.963 12.834 5.727 258 HD2 LYS 33 1HD LYS 33 -9.214 13.901 5.952 259 HD3 LYS 33 2HD LYS 33 -8.827 14.238 7.640 260 HE2 LYS 33 1HE LYS 33 -7.304 15.227 5.233 261 HE3 LYS 33 2HE LYS 33 -8.394 16.183 6.234 262 HZ1 LYS 33 1HZ LYS 33 -6.907 15.829 8.110 263 HZ2 LYS 33 2HZ LYS 33 -6.092 16.570 6.829 264 HZ3 LYS 33 3HZ LYS 33 -5.859 14.926 7.138 265 H LYS 34 H LYS 34 -8.199 8.930 8.778 266 HA LYS 34 HA LYS 34 -6.148 9.745 10.699 267 HB2 LYS 34 1HB LYS 34 -8.864 8.560 10.914 268 HB3 LYS 34 2HB LYS 34 -7.707 8.189 12.178 269 HG2 LYS 34 1HG LYS 34 -9.089 10.062 12.812 270 HG3 LYS 34 2HG LYS 34 -7.416 10.577 12.615 271 HD2 LYS 34 1HD LYS 34 -7.929 11.524 10.447 272 HD3 LYS 34 2HD LYS 34 -9.584 10.915 10.544 273 HE2 LYS 34 1HE LYS 34 -9.434 13.309 11.092 274 HE3 LYS 34 2HE LYS 34 -10.036 12.347 12.440 275 HZ1 LYS 34 1HZ LYS 34 -7.250 13.329 12.128 276 HZ2 LYS 34 2HZ LYS 34 -7.831 12.414 13.423 277 HZ3 LYS 34 3HZ LYS 34 -8.415 13.978 13.169 278 H TRP 35 H TRP 35 -5.726 7.895 8.410 279 HA TRP 35 HA TRP 35 -4.875 5.878 7.846 280 HB2 TRP 35 1HB TRP 35 -3.619 6.301 10.553 281 HB3 TRP 35 2HB TRP 35 -3.115 5.030 9.431 282 HD1 TRP 35 HD1 TRP 35 -3.067 8.836 9.867 283 HE1 TRP 35 HE1 TRP 35 -1.302 9.831 8.274 284 HE3 TRP 35 HE3 TRP 35 -1.889 4.616 7.231 285 HZ2 TRP 35 HZ2 TRP 35 0.358 8.939 6.184 286 HZ3 TRP 35 HZ3 TRP 35 -0.206 4.775 5.451 287 HH2 TRP 35 HH2 TRP 35 0.899 6.883 4.935 288 H GLU 36 H GLU 36 -7.428 5.520 8.662 289 HA GLU 36 HA GLU 36 -7.294 2.950 10.083 290 HB2 GLU 36 1HB GLU 36 -9.529 4.979 10.023 291 HB3 GLU 36 2HB GLU 36 -9.685 3.361 10.693 292 HG2 GLU 36 1HG GLU 36 -8.021 3.858 12.364 293 HG3 GLU 36 2HG GLU 36 -7.743 5.438 11.644 294 H PHE 37 H PHE 37 -7.398 1.393 8.638 295 HA PHE 37 HA PHE 37 -9.144 1.767 6.291 296 HB2 PHE 37 1HB PHE 37 -6.728 -0.054 6.510 297 HB3 PHE 37 2HB PHE 37 -7.653 0.293 5.052 298 HD1 PHE 37 HD1 PHE 37 -5.330 1.717 7.539 299 HD2 PHE 37 HD2 PHE 37 -7.208 2.236 3.751 300 HE1 PHE 37 HE1 PHE 37 -3.824 3.596 7.052 301 HE2 PHE 37 HE2 PHE 37 -5.704 4.121 3.265 302 HZ PHE 37 HZ PHE 37 -4.007 4.801 4.915 303 HA PRO 38 HA PRO 38 -11.316 -1.570 8.442 304 HB2 PRO 38 1HB PRO 38 -13.581 -1.383 6.965 305 HB3 PRO 38 2HB PRO 38 -13.221 -0.292 8.316 306 HG2 PRO 38 1HG PRO 38 -12.874 0.142 5.375 307 HG3 PRO 38 2HG PRO 38 -13.531 1.251 6.595 308 HD2 PRO 38 1HD PRO 38 -10.971 1.450 5.691 309 HD3 PRO 38 2HD PRO 38 -11.415 1.860 7.368 310 H GLU 39 H GLU 39 -11.774 -3.656 7.906 311 HA GLU 39 HA GLU 39 -10.563 -4.625 5.489 312 HB2 GLU 39 1HB GLU 39 -10.338 -5.729 7.720 313 HB3 GLU 39 2HB GLU 39 -12.035 -6.172 7.624 314 HG2 GLU 39 1HG GLU 39 -11.628 -7.590 5.751 315 HG3 GLU 39 2HG GLU 39 -9.970 -7.007 5.607 316 H ASP 40 H ASP 40 -11.901 -3.720 3.932 317 HA ASP 40 HA ASP 40 -14.377 -5.151 3.407 318 HB2 ASP 40 1HB ASP 40 -15.784 -3.503 3.989 319 HB3 ASP 40 2HB ASP 40 -14.428 -2.584 4.625 320 H ASP 41 H ASP 41 -15.087 -4.917 1.234 321 HA ASP 41 HA ASP 41 -12.868 -5.049 -0.525 322 HB2 ASP 41 1HB ASP 41 -14.472 -5.553 -2.281 323 HB3 ASP 41 2HB ASP 41 -14.865 -6.462 -0.828 324 H THR 42 H THR 42 -15.097 -2.497 0.249 325 HA THR 42 HA THR 42 -14.697 -0.848 -2.006 326 HB THR 42 HB THR 42 -15.167 0.078 0.827 327 HG1 THR 42 HG1 THR 42 -16.818 -1.280 0.574 328 HG21 THR 42 1HG2 THR 42 -15.865 1.238 -1.864 329 HG22 THR 42 2HG2 THR 42 -14.696 1.874 -0.705 330 HG23 THR 42 3HG2 THR 42 -16.416 1.885 -0.319 331 H THR 43 H THR 43 -13.233 -0.686 1.231 332 HA THR 43 HA THR 43 -11.244 1.179 0.724 333 HB THR 43 HB THR 43 -11.080 -1.183 2.603 334 HG1 THR 43 HG1 THR 43 -12.967 0.029 3.021 335 HG21 THR 43 1HG2 THR 43 -9.599 0.293 3.922 336 HG22 THR 43 2HG2 THR 43 -9.693 1.502 2.640 337 HG23 THR 43 3HG2 THR 43 -8.937 -0.058 2.325 338 H MET 44 H MET 44 -11.333 -2.256 0.036 339 HA MET 44 HA MET 44 -8.559 -2.632 -0.300 340 HB2 MET 44 1HB MET 44 -10.860 -4.211 -1.443 341 HB3 MET 44 2HB MET 44 -9.183 -4.737 -1.437 342 HG2 MET 44 1HG MET 44 -9.181 -4.717 0.999 343 HG3 MET 44 2HG MET 44 -10.848 -4.161 0.999 344 HE1 MET 44 1HE MET 44 -9.877 -6.661 2.662 345 HE2 MET 44 2HE MET 44 -11.208 -7.776 2.346 346 HE3 MET 44 3HE MET 44 -11.536 -6.063 2.616 347 H CYS 45 H CYS 45 -11.145 -2.129 -2.718 348 HA CYS 45 HA CYS 45 -9.355 -2.095 -4.916 349 HB2 CYS 45 1HB CYS 45 -12.154 -0.980 -4.648 350 HB3 CYS 45 2HB CYS 45 -11.246 -0.979 -6.153 351 H TYR 46 H TYR 46 -10.445 0.339 -2.675 352 HA TYR 46 HA TYR 46 -9.542 2.632 -3.979 353 HB2 TYR 46 1HB TYR 46 -10.855 2.999 -2.081 354 HB3 TYR 46 2HB TYR 46 -9.923 1.871 -1.100 355 HD1 TYR 46 HD1 TYR 46 -9.463 5.114 -2.929 356 HD2 TYR 46 HD2 TYR 46 -8.497 2.742 0.474 357 HE1 TYR 46 HE1 TYR 46 -8.191 6.993 -1.980 358 HE2 TYR 46 HE2 TYR 46 -7.224 4.614 1.426 359 HH TYR 46 HH TYR 46 -6.209 6.633 0.870 360 H ILE 47 H ILE 47 -7.881 0.504 -1.675 361 HA ILE 47 HA ILE 47 -5.412 1.804 -1.698 362 HB ILE 47 HB ILE 47 -6.088 -1.081 -1.168 363 HG12 ILE 47 1HG1 ILE 47 -7.067 0.485 0.425 364 HG13 ILE 47 2HG1 ILE 47 -5.776 -0.423 1.204 365 HG21 ILE 47 1HG2 ILE 47 -3.778 -1.014 -1.831 366 HG22 ILE 47 2HG2 ILE 47 -3.860 -1.231 -0.081 367 HG23 ILE 47 3HG2 ILE 47 -3.467 0.350 -0.757 368 HD11 ILE 47 1HD1 ILE 47 -5.608 1.830 1.913 369 HD12 ILE 47 2HD1 ILE 47 -5.712 2.428 0.259 370 HD13 ILE 47 3HD1 ILE 47 -4.278 1.545 0.789 371 H LYS 48 H LYS 48 -6.726 -0.706 -3.808 372 HA LYS 48 HA LYS 48 -4.336 -1.339 -5.133 373 HB2 LYS 48 1HB LYS 48 -6.493 -2.648 -5.229 374 HB3 LYS 48 2HB LYS 48 -7.094 -1.441 -6.357 375 HG2 LYS 48 1HG LYS 48 -5.252 -1.968 -7.891 376 HG3 LYS 48 2HG LYS 48 -4.676 -3.192 -6.760 377 HD2 LYS 48 1HD LYS 48 -5.903 -4.395 -8.343 378 HD3 LYS 48 2HD LYS 48 -7.004 -4.228 -6.977 379 HE2 LYS 48 1HE LYS 48 -8.250 -3.787 -8.954 380 HE3 LYS 48 2HE LYS 48 -7.997 -2.244 -8.139 381 HZ1 LYS 48 1HZ LYS 48 -6.254 -1.711 -9.672 382 HZ2 LYS 48 2HZ LYS 48 -7.619 -2.158 -10.561 383 HZ3 LYS 48 3HZ LYS 48 -6.329 -3.245 -10.387 384 H CYS 49 H CYS 49 -6.961 0.905 -6.003 385 HA CYS 49 HA CYS 49 -5.865 1.877 -8.361 386 HB2 CYS 49 1HB CYS 49 -8.118 2.385 -7.868 387 HB3 CYS 49 2HB CYS 49 -7.704 3.193 -6.358 388 H VAL 50 H VAL 50 -5.505 3.139 -5.044 389 HA VAL 50 HA VAL 50 -3.983 5.381 -5.689 390 HB VAL 50 HB VAL 50 -4.096 3.768 -3.143 391 HG11 VAL 50 1HG1 VAL 50 -2.885 6.484 -3.641 392 HG12 VAL 50 2HG1 VAL 50 -2.025 5.017 -3.165 393 HG13 VAL 50 3HG1 VAL 50 -3.165 5.775 -2.051 394 HG21 VAL 50 1HG2 VAL 50 -5.505 5.681 -2.402 395 HG22 VAL 50 2HG2 VAL 50 -6.209 4.710 -3.695 396 HG23 VAL 50 3HG2 VAL 50 -5.475 6.268 -4.065 397 H PHE 51 H PHE 51 -3.007 2.144 -4.669 398 HA PHE 51 HA PHE 51 -0.244 2.608 -4.645 399 HB2 PHE 51 1HB PHE 51 -2.022 0.227 -4.613 400 HB3 PHE 51 2HB PHE 51 -0.330 -0.040 -5.025 401 HD1 PHE 51 HD1 PHE 51 0.175 -1.335 -3.087 402 HD2 PHE 51 HD2 PHE 51 -1.466 2.574 -2.693 403 HE1 PHE 51 HE1 PHE 51 0.716 -1.350 -0.688 404 HE2 PHE 51 HE2 PHE 51 -0.925 2.564 -0.296 405 HZ PHE 51 HZ PHE 51 0.169 0.600 0.710 406 H ASN 52 H ASN 52 -2.475 1.985 -7.184 407 HA ASN 52 HA ASN 52 -0.516 1.097 -9.097 408 HB2 ASN 52 1HB ASN 52 -2.793 0.296 -9.301 409 HB3 ASN 52 2HB ASN 52 -3.401 1.952 -9.429 410 HD21 ASN 52 1HD2 ASN 52 -1.460 -0.501 -11.003 411 HD22 ASN 52 2HD2 ASN 52 -1.642 0.118 -12.605 412 H LYS 53 H LYS 53 -2.264 4.103 -8.427 413 HA LYS 53 HA LYS 53 -1.146 5.489 -10.663 414 HB2 LYS 53 1HB LYS 53 -2.778 6.264 -8.287 415 HB3 LYS 53 2HB LYS 53 -1.968 7.527 -9.199 416 HG2 LYS 53 1HG LYS 53 -4.266 7.255 -9.938 417 HG3 LYS 53 2HG LYS 53 -3.152 6.807 -11.231 418 HD2 LYS 53 1HD LYS 53 -3.444 4.435 -10.593 419 HD3 LYS 53 2HD LYS 53 -4.629 4.935 -9.387 420 HE2 LYS 53 1HE LYS 53 -4.838 5.377 -12.363 421 HE3 LYS 53 2HE LYS 53 -5.708 4.153 -11.442 422 HZ1 LYS 53 1HZ LYS 53 -5.968 7.089 -11.087 423 HZ2 LYS 53 2HZ LYS 53 -6.813 5.914 -10.212 424 HZ3 LYS 53 3HZ LYS 53 -7.083 6.088 -11.872 425 H MET 54 H MET 54 -0.067 4.737 -7.518 426 HA MET 54 HA MET 54 2.021 6.753 -7.529 427 HB2 MET 54 1HB MET 54 1.317 4.516 -5.633 428 HB3 MET 54 2HB MET 54 2.738 5.538 -5.423 429 HG2 MET 54 1HG MET 54 1.434 7.445 -5.065 430 HG3 MET 54 2HG MET 54 -0.024 6.668 -5.672 431 HE1 MET 54 1HE MET 54 2.341 7.314 -2.787 432 HE2 MET 54 2HE MET 54 2.730 5.597 -2.895 433 HE3 MET 54 3HE MET 54 1.832 6.216 -1.509 434 H GLN 55 H GLN 55 1.519 4.010 -9.155 435 HA GLN 55 HA GLN 55 2.704 2.425 -10.187 436 HB2 GLN 55 1HB GLN 55 4.591 4.703 -10.012 437 HB3 GLN 55 2HB GLN 55 5.217 3.155 -10.590 438 HG2 GLN 55 1HG GLN 55 3.544 3.128 -12.344 439 HG3 GLN 55 2HG GLN 55 2.852 4.623 -11.728 440 HE21 GLN 55 1HE2 GLN 55 3.182 5.690 -13.660 441 HE22 GLN 55 2HE2 GLN 55 4.750 6.198 -14.182 442 H LEU 56 H LEU 56 2.328 1.715 -7.700 443 HA LEU 56 HA LEU 56 4.908 0.733 -6.745 444 HB2 LEU 56 1HB LEU 56 2.747 2.161 -5.374 445 HB3 LEU 56 2HB LEU 56 3.328 0.743 -4.491 446 HG LEU 56 HG LEU 56 5.015 3.055 -5.460 447 HD11 LEU 56 1HD1 LEU 56 3.500 3.710 -3.658 448 HD12 LEU 56 2HD1 LEU 56 5.172 3.669 -3.104 449 HD13 LEU 56 3HD1 LEU 56 4.071 2.361 -2.684 450 HD21 LEU 56 1HD2 LEU 56 6.726 2.056 -3.971 451 HD22 LEU 56 2HD2 LEU 56 6.329 1.046 -5.362 452 HD23 LEU 56 3HD2 LEU 56 5.675 0.653 -3.773 453 H PHE 57 H PHE 57 1.773 -0.037 -7.792 454 HA PHE 57 HA PHE 57 2.214 -2.857 -7.160 455 HB2 PHE 57 1HB PHE 57 0.722 -2.119 -5.381 456 HB3 PHE 57 2HB PHE 57 -0.347 -1.347 -6.543 457 HD1 PHE 57 HD1 PHE 57 -1.992 -2.597 -7.727 458 HD2 PHE 57 HD2 PHE 57 0.833 -4.583 -5.234 459 HE1 PHE 57 HE1 PHE 57 -3.322 -4.659 -7.870 460 HE2 PHE 57 HE2 PHE 57 -0.495 -6.647 -5.376 461 HZ PHE 57 HZ PHE 57 -2.573 -6.685 -6.693 462 H ASP 58 H ASP 58 1.475 -4.237 -8.700 463 HA ASP 58 HA ASP 58 0.066 -3.086 -11.014 464 HB2 ASP 58 1HB ASP 58 2.367 -3.437 -11.684 465 HB3 ASP 58 2HB ASP 58 2.364 -5.063 -11.008 466 H ASP 59 H ASP 59 -1.412 -4.478 -12.058 467 HA ASP 59 HA ASP 59 -2.746 -6.224 -10.221 468 HB2 ASP 59 1HB ASP 59 -3.342 -5.585 -13.111 469 HB3 ASP 59 2HB ASP 59 -4.391 -6.502 -12.051 470 H THR 60 H THR 60 -0.323 -6.695 -12.542 471 HA THR 60 HA THR 60 -0.946 -9.540 -12.787 472 HB THR 60 HB THR 60 0.972 -7.748 -14.256 473 HG1 THR 60 HG1 THR 60 -0.897 -7.650 -15.299 474 HG21 THR 60 1HG2 THR 60 1.721 -9.677 -15.532 475 HG22 THR 60 2HG2 THR 60 0.724 -10.744 -14.544 476 HG23 THR 60 3HG2 THR 60 2.092 -9.897 -13.822 477 H GLU 61 H GLU 61 2.021 -7.596 -12.215 478 HA GLU 61 HA GLU 61 3.374 -9.845 -11.050 479 HB2 GLU 61 1HB GLU 61 4.313 -6.999 -10.862 480 HB3 GLU 61 2HB GLU 61 5.260 -8.477 -10.915 481 HG2 GLU 61 1HG GLU 61 4.470 -8.818 -13.246 482 HG3 GLU 61 2HG GLU 61 3.741 -7.216 -13.170 483 H GLY 62 H GLY 62 1.257 -7.509 -9.787 484 HA2 GLY 62 1HA GLY 62 0.530 -7.238 -7.604 485 HA3 GLY 62 2HA GLY 62 1.752 -8.402 -7.093 486 HA PRO 63 HA PRO 63 3.276 -4.491 -5.374 487 HB2 PRO 63 1HB PRO 63 5.000 -5.663 -3.600 488 HB3 PRO 63 2HB PRO 63 3.275 -5.428 -3.286 489 HG2 PRO 63 1HG PRO 63 4.730 -7.868 -4.190 490 HG3 PRO 63 2HG PRO 63 3.417 -7.723 -3.015 491 HD2 PRO 63 1HD PRO 63 3.051 -8.572 -5.557 492 HD3 PRO 63 2HD PRO 63 1.797 -7.681 -4.656 493 H LEU 64 H LEU 64 4.740 -3.351 -6.403 494 HA LEU 64 HA LEU 64 6.892 -4.635 -7.859 495 HB2 LEU 64 1HB LEU 64 6.361 -1.675 -7.586 496 HB3 LEU 64 2HB LEU 64 7.329 -2.477 -8.805 497 HG LEU 64 HG LEU 64 4.341 -2.780 -8.532 498 HD11 LEU 64 1HD1 LEU 64 4.220 -1.444 -10.563 499 HD12 LEU 64 2HD1 LEU 64 5.968 -1.226 -10.539 500 HD13 LEU 64 3HD1 LEU 64 4.974 -0.532 -9.258 501 HD21 LEU 64 1HD2 LEU 64 5.516 -4.741 -9.455 502 HD22 LEU 64 2HD2 LEU 64 6.212 -3.706 -10.703 503 HD23 LEU 64 3HD2 LEU 64 4.464 -3.953 -10.633 504 H VAL 65 H VAL 65 8.251 -5.417 -6.389 505 HA VAL 65 HA VAL 65 9.009 -4.452 -3.955 506 HB VAL 65 HB VAL 65 10.641 -6.065 -5.899 507 HG11 VAL 65 1HG1 VAL 65 11.080 -5.640 -2.946 508 HG12 VAL 65 2HG1 VAL 65 12.115 -5.056 -4.252 509 HG13 VAL 65 3HG1 VAL 65 11.953 -6.789 -3.961 510 HG21 VAL 65 1HG2 VAL 65 8.581 -7.145 -5.321 511 HG22 VAL 65 2HG2 VAL 65 8.844 -6.823 -3.609 512 HG23 VAL 65 3HG2 VAL 65 9.897 -7.950 -4.466 513 H ASP 66 H ASP 66 10.586 -3.772 -7.074 514 HA ASP 66 HA ASP 66 12.831 -2.457 -6.075 515 HB2 ASP 66 1HB ASP 66 12.652 -3.174 -8.383 516 HB3 ASP 66 2HB ASP 66 11.373 -2.004 -8.679 517 H ASN 67 H ASN 67 9.841 -0.959 -7.331 518 HA ASN 67 HA ASN 67 10.515 1.659 -6.563 519 HB2 ASN 67 1HB ASN 67 7.865 0.356 -7.140 520 HB3 ASN 67 2HB ASN 67 8.005 2.053 -6.709 521 HD21 ASN 67 1HD2 ASN 67 7.231 2.774 -8.645 522 HD22 ASN 67 2HD2 ASN 67 8.127 2.659 -10.121 523 H LEU 68 H LEU 68 9.023 -0.991 -4.881 524 HA LEU 68 HA LEU 68 7.858 0.408 -2.765 525 HB2 LEU 68 1HB LEU 68 8.737 -2.412 -3.169 526 HB3 LEU 68 2HB LEU 68 8.289 -1.884 -1.555 527 HG LEU 68 HG LEU 68 6.472 -1.505 -3.923 528 HD11 LEU 68 1HD1 LEU 68 6.985 -3.895 -3.674 529 HD12 LEU 68 2HD1 LEU 68 5.312 -3.528 -3.257 530 HD13 LEU 68 3HD1 LEU 68 6.498 -3.811 -1.982 531 HD21 LEU 68 1HD2 LEU 68 6.017 -0.141 -1.954 532 HD22 LEU 68 2HD2 LEU 68 5.984 -1.591 -0.952 533 HD23 LEU 68 3HD2 LEU 68 4.758 -1.352 -2.196 534 H VAL 69 H VAL 69 11.095 -1.107 -2.939 535 HA VAL 69 HA VAL 69 11.762 -0.117 -0.310 536 HB VAL 69 HB VAL 69 13.534 -1.457 -0.344 537 HG11 VAL 69 1HG1 VAL 69 11.848 -2.864 -1.394 538 HG12 VAL 69 2HG1 VAL 69 13.493 -3.318 -1.828 539 HG13 VAL 69 3HG1 VAL 69 12.496 -2.434 -2.978 540 HG21 VAL 69 1HG2 VAL 69 14.843 0.132 -1.689 541 HG22 VAL 69 2HG2 VAL 69 14.244 -0.643 -3.157 542 HG23 VAL 69 3HG2 VAL 69 15.257 -1.547 -2.031 543 H HIS 70 H HIS 70 12.176 1.014 -3.594 544 HA HIS 70 HA HIS 70 14.048 3.061 -3.002 545 HB2 HIS 70 1HB HIS 70 12.019 2.758 -5.211 546 HB3 HIS 70 2HB HIS 70 13.098 4.143 -5.108 547 HD1 HIS 70 HD1 HIS 70 13.767 3.044 -7.546 548 HD2 HIS 70 HD2 HIS 70 15.039 1.051 -4.128 549 HE1 HIS 70 HE1 HIS 70 15.640 1.547 -8.295 550 HE2 HIS 70 HE2 HIS 70 16.287 0.239 -6.244 551 H GLN 71 H GLN 71 10.618 2.796 -2.621 552 HA GLN 71 HA GLN 71 10.266 5.636 -2.095 553 HB2 GLN 71 1HB GLN 71 8.564 4.233 -3.322 554 HB3 GLN 71 2HB GLN 71 8.261 3.397 -1.805 555 HG2 GLN 71 1HG GLN 71 6.590 5.122 -2.250 556 HG3 GLN 71 2HG GLN 71 7.494 5.422 -0.769 557 HE21 GLN 71 1HE2 GLN 71 8.842 7.175 -0.638 558 HE22 GLN 71 2HE2 GLN 71 8.841 8.448 -1.802 559 H LEU 72 H LEU 72 9.607 2.622 -0.344 560 HA LEU 72 HA LEU 72 8.955 3.827 2.072 561 HB2 LEU 72 1HB LEU 72 9.892 1.040 1.465 562 HB3 LEU 72 2HB LEU 72 9.387 1.547 3.063 563 HG LEU 72 HG LEU 72 7.635 1.664 0.610 564 HD11 LEU 72 1HD1 LEU 72 7.705 -0.347 2.863 565 HD12 LEU 72 2HD1 LEU 72 8.167 -0.647 1.186 566 HD13 LEU 72 3HD1 LEU 72 6.488 -0.276 1.587 567 HD21 LEU 72 1HD2 LEU 72 7.086 2.106 3.542 568 HD22 LEU 72 2HD2 LEU 72 5.833 1.905 2.317 569 HD23 LEU 72 3HD2 LEU 72 6.934 3.279 2.231 570 H ALA 73 H ALA 73 12.087 2.548 0.977 571 HA ALA 73 HA ALA 73 13.354 2.825 3.503 572 HB1 ALA 73 1HB ALA 73 15.372 2.240 2.381 573 HB2 ALA 73 2HB ALA 73 14.669 2.641 0.814 574 HB3 ALA 73 3HB ALA 73 14.056 1.261 1.726 575 H HIS 74 H HIS 74 12.074 5.266 2.667 576 HA HIS 74 HA HIS 74 14.044 7.188 1.898 577 HB2 HIS 74 1HB HIS 74 11.573 7.495 1.572 578 HB3 HIS 74 2HB HIS 74 11.400 7.640 3.318 579 HD1 HIS 74 HD1 HIS 74 11.523 9.945 4.222 580 HD2 HIS 74 HD2 HIS 74 13.260 9.658 0.454 581 HE1 HIS 74 HE1 HIS 74 12.112 12.298 3.565 582 HE2 HIS 74 HE2 HIS 74 13.246 12.089 1.327 583 H GLY 75 H GLY 75 15.782 6.837 3.319 584 HA2 GLY 75 1HA GLY 75 16.903 7.907 5.135 585 HA3 GLY 75 2HA GLY 75 15.367 8.004 5.985 586 H ARG 76 H ARG 76 16.013 5.012 4.456 587 HA ARG 76 HA ARG 76 17.227 3.870 6.844 588 HB2 ARG 76 1HB ARG 76 14.484 3.251 5.866 589 HB3 ARG 76 2HB ARG 76 15.439 1.936 6.550 590 HG2 ARG 76 1HG ARG 76 15.768 3.497 8.549 591 HG3 ARG 76 2HG ARG 76 14.442 4.439 7.867 592 HD2 ARG 76 1HD ARG 76 13.128 2.270 7.831 593 HD3 ARG 76 2HD ARG 76 14.407 1.596 8.831 594 HE ARG 76 HE ARG 76 13.446 4.013 9.954 595 HH11 ARG 76 1HH1 ARG 76 12.581 0.648 9.513 596 HH12 ARG 76 2HH1 ARG 76 11.598 0.581 10.939 597 HH21 ARG 76 1HH2 ARG 76 12.127 3.946 11.815 598 HH22 ARG 76 2HH2 ARG 76 11.325 2.468 12.245 599 H ASP 77 H ASP 77 17.907 1.580 6.464 600 HA ASP 77 HA ASP 77 19.322 1.376 4.037 601 HB2 ASP 77 1HB ASP 77 20.132 0.354 6.100 602 HB3 ASP 77 2HB ASP 77 18.763 -0.755 6.102 603 H ALA 78 H ALA 78 18.648 0.820 2.154 604 HA ALA 78 HA ALA 78 16.001 0.087 1.595 605 HB1 ALA 78 1HB ALA 78 17.429 1.341 0.065 606 HB2 ALA 78 2HB ALA 78 16.730 -0.079 -0.708 607 HB3 ALA 78 3HB ALA 78 18.416 -0.098 -0.189 608 H GLU 79 H GLU 79 18.910 -1.839 1.958 609 HA GLU 79 HA GLU 79 17.946 -4.185 0.709 610 HB2 GLU 79 1HB GLU 79 20.087 -3.808 2.799 611 HB3 GLU 79 2HB GLU 79 19.756 -5.339 1.999 612 HG2 GLU 79 1HG GLU 79 20.163 -4.135 -0.181 613 HG3 GLU 79 2HG GLU 79 20.789 -2.799 0.782 614 H GLU 80 H GLU 80 18.010 -3.165 4.115 615 HA GLU 80 HA GLU 80 16.682 -5.447 5.114 616 HB2 GLU 80 1HB GLU 80 17.882 -3.979 6.599 617 HB3 GLU 80 2HB GLU 80 16.835 -2.630 6.181 618 HG2 GLU 80 1HG GLU 80 15.018 -3.546 7.329 619 HG3 GLU 80 2HG GLU 80 15.764 -5.134 7.417 620 H VAL 81 H VAL 81 15.499 -2.278 4.048 621 HA VAL 81 HA VAL 81 12.786 -2.620 4.533 622 HB VAL 81 HB VAL 81 14.148 -1.085 2.326 623 HG11 VAL 81 1HG1 VAL 81 11.293 -0.928 3.283 624 HG12 VAL 81 2HG1 VAL 81 11.833 -1.491 1.701 625 HG13 VAL 81 3HG1 VAL 81 12.057 0.200 2.161 626 HG21 VAL 81 1HG2 VAL 81 13.130 -0.337 5.047 627 HG22 VAL 81 2HG2 VAL 81 13.657 0.824 3.827 628 HG23 VAL 81 3HG2 VAL 81 14.802 -0.342 4.486 629 H ARG 82 H ARG 82 14.636 -3.439 1.586 630 HA ARG 82 HA ARG 82 12.627 -4.530 0.030 631 HB2 ARG 82 1HB ARG 82 15.004 -4.180 -0.647 632 HB3 ARG 82 2HB ARG 82 15.438 -5.602 0.283 633 HG2 ARG 82 1HG ARG 82 14.020 -6.979 -1.120 634 HG3 ARG 82 2HG ARG 82 13.552 -5.560 -2.051 635 HD2 ARG 82 1HD ARG 82 15.935 -5.220 -2.626 636 HD3 ARG 82 2HD ARG 82 16.312 -6.732 -1.806 637 HE ARG 82 HE ARG 82 14.695 -7.747 -3.493 638 HH11 ARG 82 1HH1 ARG 82 16.665 -4.927 -4.174 639 HH12 ARG 82 2HH1 ARG 82 16.758 -5.249 -5.874 640 HH21 ARG 82 1HH2 ARG 82 14.817 -8.174 -5.729 641 HH22 ARG 82 2HH2 ARG 82 15.713 -7.102 -6.761 642 H THR 83 H THR 83 14.539 -6.027 2.580 643 HA THR 83 HA THR 83 13.603 -8.652 2.337 644 HB THR 83 HB THR 83 14.737 -7.082 4.644 645 HG1 THR 83 HG1 THR 83 16.236 -7.580 3.079 646 HG21 THR 83 1HG2 THR 83 13.295 -8.794 5.614 647 HG22 THR 83 2HG2 THR 83 14.994 -9.191 5.872 648 HG23 THR 83 3HG2 THR 83 14.073 -10.028 4.622 649 H GLU 84 H GLU 84 12.568 -6.073 4.579 650 HA GLU 84 HA GLU 84 10.502 -7.458 5.822 651 HB2 GLU 84 1HB GLU 84 10.605 -4.480 5.335 652 HB3 GLU 84 2HB GLU 84 9.733 -5.318 6.611 653 HG2 GLU 84 1HG GLU 84 11.961 -6.161 7.412 654 HG3 GLU 84 2HG GLU 84 12.699 -5.021 6.290 655 H VAL 85 H VAL 85 10.413 -5.415 2.913 656 HA VAL 85 HA VAL 85 7.664 -5.515 2.417 657 HB VAL 85 HB VAL 85 10.034 -5.271 0.569 658 HG11 VAL 85 1HG1 VAL 85 7.114 -5.121 -0.173 659 HG12 VAL 85 2HG1 VAL 85 8.267 -6.347 -0.704 660 HG13 VAL 85 3HG1 VAL 85 8.460 -4.669 -1.223 661 HG21 VAL 85 1HG2 VAL 85 9.579 -3.392 2.044 662 HG22 VAL 85 2HG2 VAL 85 7.914 -3.322 1.458 663 HG23 VAL 85 3HG2 VAL 85 9.252 -2.964 0.363 664 H LEU 86 H LEU 86 10.260 -7.682 1.303 665 HA LEU 86 HA LEU 86 8.706 -9.375 -0.266 666 HB2 LEU 86 1HB LEU 86 11.260 -9.867 1.254 667 HB3 LEU 86 2HB LEU 86 10.547 -11.047 0.156 668 HG LEU 86 HG LEU 86 11.288 -8.266 -0.714 669 HD11 LEU 86 1HD1 LEU 86 13.342 -9.226 -1.608 670 HD12 LEU 86 2HD1 LEU 86 12.944 -10.776 -0.869 671 HD13 LEU 86 3HD1 LEU 86 13.280 -9.375 0.148 672 HD21 LEU 86 1HD2 LEU 86 11.288 -9.333 -2.936 673 HD22 LEU 86 2HD2 LEU 86 9.713 -9.399 -2.146 674 HD23 LEU 86 3HD2 LEU 86 10.738 -10.834 -2.187 675 H LYS 87 H LYS 87 9.163 -9.271 3.193 676 HA LYS 87 HA LYS 87 8.093 -11.869 3.736 677 HB2 LYS 87 1HB LYS 87 8.474 -9.438 5.482 678 HB3 LYS 87 2HB LYS 87 7.860 -10.973 6.081 679 HG2 LYS 87 1HG LYS 87 9.938 -12.070 5.401 680 HG3 LYS 87 2HG LYS 87 10.560 -10.515 4.824 681 HD2 LYS 87 1HD LYS 87 10.384 -9.616 7.097 682 HD3 LYS 87 2HD LYS 87 9.777 -11.175 7.663 683 HE2 LYS 87 1HE LYS 87 11.891 -12.216 6.883 684 HE3 LYS 87 2HE LYS 87 12.492 -10.609 6.481 685 HZ1 LYS 87 1HZ LYS 87 11.744 -11.590 9.180 686 HZ2 LYS 87 2HZ LYS 87 12.202 -10.001 8.835 687 HZ3 LYS 87 3HZ LYS 87 13.307 -11.263 8.624 688 H CYS 88 H CYS 88 6.707 -9.084 2.608 689 HA CYS 88 HA CYS 88 4.062 -9.904 3.585 690 HB2 CYS 88 1HB CYS 88 5.228 -7.205 3.055 691 HB3 CYS 88 2HB CYS 88 3.478 -7.447 2.871 692 H VAL 89 H VAL 89 6.072 -9.815 0.906 693 HA VAL 89 HA VAL 89 4.014 -9.470 -1.081 694 HB VAL 89 HB VAL 89 6.832 -10.514 -1.369 695 HG11 VAL 89 1HG1 VAL 89 6.459 -10.029 -3.789 696 HG12 VAL 89 2HG1 VAL 89 4.752 -9.773 -3.415 697 HG13 VAL 89 3HG1 VAL 89 5.484 -11.355 -3.157 698 HG21 VAL 89 1HG2 VAL 89 6.786 -8.187 -0.661 699 HG22 VAL 89 2HG2 VAL 89 5.670 -7.794 -1.969 700 HG23 VAL 89 3HG2 VAL 89 7.316 -8.312 -2.337 701 H ASP 90 H ASP 90 2.712 -10.982 -1.795 702 HA ASP 90 HA ASP 90 3.426 -13.794 -1.508 703 HB2 ASP 90 1HB ASP 90 1.127 -14.308 -0.665 704 HB3 ASP 90 2HB ASP 90 2.083 -13.350 0.466 705 H LYS 91 H LYS 91 1.341 -15.063 -2.472 706 HA LYS 91 HA LYS 91 1.098 -14.024 -5.202 707 HB2 LYS 91 1HB LYS 91 1.728 -16.562 -4.165 708 HB3 LYS 91 2HB LYS 91 0.107 -16.713 -4.822 709 HG2 LYS 91 1HG LYS 91 0.928 -15.804 -6.957 710 HG3 LYS 91 2HG LYS 91 2.558 -15.770 -6.286 711 HD2 LYS 91 1HD LYS 91 2.475 -18.191 -5.966 712 HD3 LYS 91 2HD LYS 91 0.841 -18.224 -6.632 713 HE2 LYS 91 1HE LYS 91 1.678 -17.374 -8.758 714 HE3 LYS 91 2HE LYS 91 3.310 -17.297 -8.096 715 HZ1 LYS 91 1HZ LYS 91 2.932 -19.282 -9.453 716 HZ2 LYS 91 2HZ LYS 91 1.717 -19.783 -8.390 717 HZ3 LYS 91 3HZ LYS 91 3.314 -19.675 -7.854 718 H ASN 92 H ASN 92 -0.936 -14.176 -6.285 719 HA ASN 92 HA ASN 92 -3.079 -13.289 -4.568 720 HB2 ASN 92 1HB ASN 92 -2.465 -12.274 -6.822 721 HB3 ASN 92 2HB ASN 92 -3.188 -13.699 -7.551 722 HD21 ASN 92 1HD2 ASN 92 -4.458 -12.234 -4.645 723 HD22 ASN 92 2HD2 ASN 92 -5.891 -11.601 -5.366 724 H THR 93 H THR 93 -2.973 -15.585 -3.614 725 HA THR 93 HA THR 93 -4.238 -17.690 -5.077 726 HB THR 93 HB THR 93 -2.681 -18.203 -3.257 727 HG1 THR 93 HG1 THR 93 -4.236 -19.780 -3.686 728 HG21 THR 93 1HG2 THR 93 -3.436 -17.941 -0.898 729 HG22 THR 93 2HG2 THR 93 -4.765 -16.939 -1.483 730 HG23 THR 93 3HG2 THR 93 -3.096 -16.418 -1.714 731 H ASP 94 H ASP 94 -5.323 -15.008 -3.289 732 HA ASP 94 HA ASP 94 -7.975 -15.998 -2.736 733 HB2 ASP 94 1HB ASP 94 -8.393 -13.575 -2.138 734 HB3 ASP 94 2HB ASP 94 -7.093 -14.360 -1.231 735 H ASN 95 H ASN 95 -6.317 -14.541 -5.325 736 HA ASN 95 HA ASN 95 -6.844 -14.200 -7.472 737 HB2 ASN 95 1HB ASN 95 -9.424 -15.577 -6.749 738 HB3 ASN 95 2HB ASN 95 -8.903 -15.209 -8.382 739 HD21 ASN 95 1HD2 ASN 95 -6.117 -15.811 -7.902 740 HD22 ASN 95 2HD2 ASN 95 -6.007 -17.540 -7.766 741 H ASN 96 H ASN 96 -7.884 -12.280 -5.235 742 HA ASN 96 HA ASN 96 -9.345 -10.644 -7.209 743 HB2 ASN 96 1HB ASN 96 -9.719 -9.627 -4.530 744 HB3 ASN 96 2HB ASN 96 -10.924 -10.088 -5.723 745 HD21 ASN 96 1HD2 ASN 96 -11.718 -12.220 -5.723 746 HD22 ASN 96 2HD2 ASN 96 -11.616 -13.202 -4.305 747 H ALA 97 H ALA 97 -8.441 -8.805 -7.777 748 HA ALA 97 HA ALA 97 -5.729 -8.369 -7.055 749 HB1 ALA 97 1HB ALA 97 -5.757 -6.586 -8.669 750 HB2 ALA 97 2HB ALA 97 -7.518 -6.582 -8.692 751 HB3 ALA 97 3HB ALA 97 -6.633 -7.970 -9.318 752 H CYS 98 H CYS 98 -8.748 -6.671 -6.290 753 HA CYS 98 HA CYS 98 -7.568 -4.443 -5.011 754 HB2 CYS 98 1HB CYS 98 -10.243 -5.728 -4.424 755 HB3 CYS 98 2HB CYS 98 -9.738 -4.126 -3.910 756 H HIS 99 H HIS 99 -8.444 -7.648 -3.859 757 HA HIS 99 HA HIS 99 -7.864 -7.008 -1.121 758 HB2 HIS 99 1HB HIS 99 -9.571 -8.656 -1.616 759 HB3 HIS 99 2HB HIS 99 -8.415 -9.640 -2.504 760 HD1 HIS 99 HD1 HIS 99 -7.076 -11.293 -1.218 761 HD2 HIS 99 HD2 HIS 99 -9.183 -8.689 1.248 762 HE1 HIS 99 HE1 HIS 99 -6.833 -12.212 1.116 763 HE2 HIS 99 HE2 HIS 99 -8.302 -10.745 2.542 764 H TRP 100 H TRP 100 -6.143 -8.319 -3.834 765 HA TRP 100 HA TRP 100 -3.987 -9.499 -2.455 766 HB2 TRP 100 1HB TRP 100 -4.498 -9.833 -4.885 767 HB3 TRP 100 2HB TRP 100 -3.900 -8.202 -5.195 768 HD1 TRP 100 HD1 TRP 100 -1.783 -9.861 -2.649 769 HE1 TRP 100 HE1 TRP 100 0.382 -10.750 -3.707 770 HE3 TRP 100 HE3 TRP 100 -3.052 -9.411 -7.581 771 HZ2 TRP 100 HZ2 TRP 100 1.421 -11.200 -6.295 772 HZ3 TRP 100 HZ3 TRP 100 -1.417 -10.094 -9.282 773 HH2 TRP 100 HH2 TRP 100 0.770 -10.975 -8.660 774 H ALA 101 H ALA 101 -4.240 -6.308 -4.021 775 HA ALA 101 HA ALA 101 -1.817 -5.253 -3.089 776 HB1 ALA 101 1HB ALA 101 -4.372 -3.798 -3.759 777 HB2 ALA 101 2HB ALA 101 -3.103 -4.240 -4.898 778 HB3 ALA 101 3HB ALA 101 -2.775 -3.064 -3.625 779 H PHE 102 H PHE 102 -5.015 -5.374 -1.689 780 HA PHE 102 HA PHE 102 -4.529 -3.608 0.447 781 HB2 PHE 102 1HB PHE 102 -6.767 -4.152 -0.351 782 HB3 PHE 102 2HB PHE 102 -6.583 -5.807 0.220 783 HD1 PHE 102 HD1 PHE 102 -7.250 -6.358 2.391 784 HD2 PHE 102 HD2 PHE 102 -6.566 -2.280 1.378 785 HE1 PHE 102 HE1 PHE 102 -8.136 -5.669 4.578 786 HE2 PHE 102 HE2 PHE 102 -7.449 -1.585 3.565 787 HZ PHE 102 HZ PHE 102 -8.238 -3.278 5.169 788 H ARG 103 H ARG 103 -4.019 -7.050 -0.001 789 HA ARG 103 HA ARG 103 -3.642 -7.620 2.780 790 HB2 ARG 103 1HB ARG 103 -4.351 -9.320 1.081 791 HB3 ARG 103 2HB ARG 103 -2.719 -9.263 0.431 792 HG2 ARG 103 1HG ARG 103 -1.800 -10.054 2.498 793 HG3 ARG 103 2HG ARG 103 -3.379 -9.977 3.269 794 HD2 ARG 103 1HD ARG 103 -2.737 -12.268 2.617 795 HD3 ARG 103 2HD ARG 103 -4.211 -11.718 1.828 796 HE ARG 103 HE ARG 103 -1.625 -11.562 0.428 797 HH11 ARG 103 1HH1 ARG 103 -4.833 -12.941 0.719 798 HH12 ARG 103 2HH1 ARG 103 -4.888 -13.463 -0.935 799 HH21 ARG 103 1HH2 ARG 103 -1.675 -12.311 -1.725 800 HH22 ARG 103 2HH2 ARG 103 -3.109 -13.121 -2.314 801 H GLY 104 H GLY 104 -1.543 -6.885 0.041 802 HA2 GLY 104 1HA GLY 104 0.936 -7.278 1.355 803 HA3 GLY 104 2HA GLY 104 0.664 -6.220 -0.035 804 H PHE 105 H PHE 105 -1.118 -4.420 0.981 805 HA PHE 105 HA PHE 105 0.556 -2.620 2.337 806 HB2 PHE 105 1HB PHE 105 -1.101 -1.727 0.905 807 HB3 PHE 105 2HB PHE 105 -2.380 -2.624 1.705 808 HD1 PHE 105 HD1 PHE 105 -3.867 -1.084 2.586 809 HD2 PHE 105 HD2 PHE 105 0.318 -0.430 3.038 810 HE1 PHE 105 HE1 PHE 105 -4.330 0.881 3.984 811 HE2 PHE 105 HE2 PHE 105 -0.147 1.542 4.432 812 HZ PHE 105 HZ PHE 105 -2.468 2.198 4.909 813 H LYS 106 H LYS 106 -2.219 -4.523 3.414 814 HA LYS 106 HA LYS 106 -2.338 -3.505 6.020 815 HB2 LYS 106 1HB LYS 106 -4.286 -4.544 5.409 816 HB3 LYS 106 2HB LYS 106 -3.472 -5.896 4.631 817 HG2 LYS 106 1HG LYS 106 -2.872 -6.723 6.904 818 HG3 LYS 106 2HG LYS 106 -3.864 -5.424 7.575 819 HD2 LYS 106 1HD LYS 106 -5.815 -6.308 6.364 820 HD3 LYS 106 2HD LYS 106 -4.817 -7.622 5.738 821 HE2 LYS 106 1HE LYS 106 -4.373 -8.323 8.080 822 HE3 LYS 106 2HE LYS 106 -5.501 -7.084 8.625 823 HZ1 LYS 106 1HZ LYS 106 -6.172 -9.370 6.856 824 HZ2 LYS 106 2HZ LYS 106 -7.261 -8.191 7.393 825 HZ3 LYS 106 3HZ LYS 106 -6.544 -9.250 8.499 826 H CYS 107 H CYS 107 -0.674 -6.314 4.666 827 HA CYS 107 HA CYS 107 0.239 -7.442 7.043 828 HB2 CYS 107 1HB CYS 107 0.370 -8.730 5.062 829 HB3 CYS 107 2HB CYS 107 1.309 -7.507 4.219 830 H PHE 108 H PHE 108 1.664 -4.979 4.946 831 HA PHE 108 HA PHE 108 4.168 -4.951 6.310 832 HB2 PHE 108 1HB PHE 108 3.764 -4.361 3.889 833 HB3 PHE 108 2HB PHE 108 3.097 -2.831 4.462 834 HD1 PHE 108 HD1 PHE 108 6.117 -4.867 4.106 835 HD2 PHE 108 HD2 PHE 108 4.547 -1.108 5.337 836 HE1 PHE 108 HE1 PHE 108 8.389 -3.938 4.160 837 HE2 PHE 108 HE2 PHE 108 6.819 -0.173 5.389 838 HZ PHE 108 HZ PHE 108 8.744 -1.589 4.796 839 H GLN 109 H GLN 109 1.370 -2.742 6.225 840 HA GLN 109 HA GLN 109 2.496 -0.784 7.889 841 HB2 GLN 109 1HB GLN 109 0.279 0.131 8.087 842 HB3 GLN 109 2HB GLN 109 0.548 -0.389 6.433 843 HG2 GLN 109 1HG GLN 109 -1.480 -1.299 6.640 844 HG3 GLN 109 2HG GLN 109 -0.631 -2.592 7.493 845 HE21 GLN 109 1HE2 GLN 109 -3.378 -1.687 7.769 846 HE22 GLN 109 2HE2 GLN 109 -3.571 -1.248 9.430 847 H LYS 110 H LYS 110 0.961 -3.807 8.627 848 HA LYS 110 HA LYS 110 0.235 -3.208 11.307 849 HB2 LYS 110 1HB LYS 110 -0.712 -5.041 9.889 850 HB3 LYS 110 2HB LYS 110 0.801 -5.913 10.090 851 HG2 LYS 110 1HG LYS 110 0.420 -5.864 12.536 852 HG3 LYS 110 2HG LYS 110 -1.150 -5.123 12.230 853 HD2 LYS 110 1HD LYS 110 -1.786 -7.084 10.871 854 HD3 LYS 110 2HD LYS 110 -0.241 -7.837 11.272 855 HE2 LYS 110 1HE LYS 110 -0.825 -7.885 13.615 856 HE3 LYS 110 2HE LYS 110 -2.315 -6.997 13.295 857 HZ1 LYS 110 1HZ LYS 110 -3.077 -8.866 11.958 858 HZ2 LYS 110 2HZ LYS 110 -2.752 -9.342 13.546 859 HZ3 LYS 110 3HZ LYS 110 -1.662 -9.718 12.309 860 H ASN 111 H ASN 111 3.217 -3.798 9.810 861 HA ASN 111 HA ASN 111 4.446 -4.346 12.432 862 HB2 ASN 111 1HB ASN 111 5.358 -5.260 9.698 863 HB3 ASN 111 2HB ASN 111 6.324 -5.400 11.167 864 HD21 ASN 111 1HD2 ASN 111 3.463 -6.526 9.500 865 HD22 ASN 111 2HD2 ASN 111 3.239 -7.943 10.463 866 H ASN 112 H ASN 112 4.497 -2.489 9.488 867 HA ASN 112 HA ASN 112 6.525 -0.713 10.643 868 HB2 ASN 112 1HB ASN 112 6.645 -2.046 7.942 869 HB3 ASN 112 2HB ASN 112 7.540 -0.569 8.314 870 HD21 ASN 112 1HD2 ASN 112 8.231 -3.475 7.740 871 HD22 ASN 112 2HD2 ASN 112 9.408 -3.844 8.960 872 H LEU 113 H LEU 113 4.334 0.390 10.939 873 HA LEU 113 HA LEU 113 3.241 1.569 8.531 874 HB2 LEU 113 1HB LEU 113 1.665 0.963 10.218 875 HB3 LEU 113 2HB LEU 113 2.522 1.885 11.437 876 HG LEU 113 HG LEU 113 1.913 3.964 10.205 877 HD11 LEU 113 1HD1 LEU 113 0.166 2.130 8.580 878 HD12 LEU 113 2HD1 LEU 113 1.640 2.896 7.996 879 HD13 LEU 113 3HD1 LEU 113 0.257 3.886 8.461 880 HD21 LEU 113 1HD2 LEU 113 -0.361 2.176 11.043 881 HD22 LEU 113 2HD2 LEU 113 -0.456 3.928 10.870 882 HD23 LEU 113 3HD2 LEU 113 0.591 3.215 12.099 883 H SER 114 H SER 114 5.397 2.420 11.107 884 HA SER 114 HA SER 114 5.296 5.239 10.840 885 HB2 SER 114 1HB SER 114 6.318 4.008 12.784 886 HB3 SER 114 2HB SER 114 7.679 3.588 11.742 887 HG SER 114 HG SER 114 8.164 5.443 12.927 888 H LEU 115 H LEU 115 7.171 2.738 9.220 889 HA LEU 115 HA LEU 115 8.904 4.443 7.794 890 HB2 LEU 115 1HB LEU 115 9.212 2.002 8.097 891 HB3 LEU 115 2HB LEU 115 7.879 1.728 6.993 892 HG LEU 115 HG LEU 115 9.179 2.903 5.220 893 HD11 LEU 115 1HD1 LEU 115 10.624 4.264 6.516 894 HD12 LEU 115 2HD1 LEU 115 11.638 3.105 5.653 895 HD13 LEU 115 3HD1 LEU 115 11.277 2.867 7.364 896 HD21 LEU 115 1HD2 LEU 115 9.145 0.484 5.313 897 HD22 LEU 115 2HD2 LEU 115 10.466 0.485 6.479 898 HD23 LEU 115 3HD2 LEU 115 10.745 1.047 4.832 899 H ILE 116 H ILE 116 5.667 3.263 7.204 900 HA ILE 116 HA ILE 116 5.472 4.010 4.492 901 HB ILE 116 HB ILE 116 3.289 3.677 6.563 902 HG12 ILE 116 1HG1 ILE 116 4.431 1.759 4.515 903 HG13 ILE 116 2HG1 ILE 116 4.610 1.650 6.272 904 HG21 ILE 116 1HG2 ILE 116 1.786 3.374 4.650 905 HG22 ILE 116 2HG2 ILE 116 3.110 3.764 3.555 906 HG23 ILE 116 3HG2 ILE 116 2.499 4.989 4.671 907 HD11 ILE 116 1HD1 ILE 116 2.114 1.439 6.391 908 HD12 ILE 116 2HD1 ILE 116 2.958 0.091 5.631 909 HD13 ILE 116 3HD1 ILE 116 2.124 1.280 4.635 910 H LYS 117 H LYS 117 4.648 5.635 7.511 911 HA LYS 117 HA LYS 117 3.583 7.973 6.326 912 HB2 LYS 117 1HB LYS 117 4.698 7.405 9.064 913 HB3 LYS 117 2HB LYS 117 4.010 8.962 8.620 914 HG2 LYS 117 1HG LYS 117 1.872 7.923 8.164 915 HG3 LYS 117 2HG LYS 117 2.541 6.328 8.495 916 HD2 LYS 117 1HD LYS 117 2.959 6.967 10.809 917 HD3 LYS 117 2HD LYS 117 2.350 8.591 10.488 918 HE2 LYS 117 1HE LYS 117 0.144 7.720 10.031 919 HE3 LYS 117 2HE LYS 117 0.731 6.066 10.183 920 HZ1 LYS 117 1HZ LYS 117 -0.391 6.751 12.189 921 HZ2 LYS 117 2HZ LYS 117 0.630 8.088 12.352 922 HZ3 LYS 117 3HZ LYS 117 1.253 6.527 12.509 923 H ALA 118 H ALA 118 6.793 7.007 7.358 924 HA ALA 118 HA ALA 118 8.015 9.564 7.058 925 HB1 ALA 118 1HB ALA 118 9.257 6.827 7.111 926 HB2 ALA 118 2HB ALA 118 8.892 7.821 8.521 927 HB3 ALA 118 3HB ALA 118 10.097 8.359 7.352 928 H SER 119 H SER 119 7.568 6.799 4.937 929 HA SER 119 HA SER 119 9.463 7.485 2.993 930 HB2 SER 119 1HB SER 119 8.291 5.934 1.523 931 HB3 SER 119 2HB SER 119 8.407 5.265 3.148 932 HG SER 119 HG SER 119 6.230 5.994 3.482 933 H ILE 120 H ILE 120 6.102 8.443 3.379 934 HA ILE 120 HA ILE 120 6.162 9.966 0.901 935 HB ILE 120 HB ILE 120 3.816 10.543 1.461 936 HG12 ILE 120 1HG1 ILE 120 4.110 8.612 3.757 937 HG13 ILE 120 2HG1 ILE 120 4.185 10.361 3.959 938 HG21 ILE 120 1HG2 ILE 120 4.265 8.608 0.090 939 HG22 ILE 120 2HG2 ILE 120 2.902 8.275 1.159 940 HG23 ILE 120 3HG2 ILE 120 4.494 7.612 1.528 941 HD11 ILE 120 1HD1 ILE 120 1.920 10.549 3.077 942 HD12 ILE 120 2HD1 ILE 120 1.987 9.509 4.497 943 HD13 ILE 120 3HD1 ILE 120 1.849 8.801 2.890 944 H LYS 121 H LYS 121 7.212 10.458 3.977 945 HA LYS 121 HA LYS 121 6.367 13.227 4.231 946 HB2 LYS 121 1HB LYS 121 6.460 11.734 6.209 947 HB3 LYS 121 2HB LYS 121 8.193 11.564 5.974 948 HG2 LYS 121 1HG LYS 121 8.408 14.028 6.278 949 HG3 LYS 121 2HG LYS 121 6.692 14.070 6.687 950 HD2 LYS 121 1HD LYS 121 7.144 12.458 8.519 951 HD3 LYS 121 2HD LYS 121 8.865 12.572 8.149 952 HE2 LYS 121 1HE LYS 121 8.268 14.013 10.024 953 HE3 LYS 121 2HE LYS 121 8.818 14.960 8.642 954 HZ1 LYS 121 1HZ LYS 121 6.539 15.467 8.099 955 HZ2 LYS 121 2HZ LYS 121 6.841 15.906 9.702 956 HZ3 LYS 121 3HZ LYS 121 5.975 14.496 9.362 957 H LYS 122 H LYS 122 7.571 14.907 3.558 958 HA LYS 122 HA LYS 122 10.232 14.543 2.526 959 HB2 LYS 122 1HB LYS 122 9.455 17.277 3.279 960 HB3 LYS 122 2HB LYS 122 10.096 16.667 1.780 961 HG2 LYS 122 1HG LYS 122 7.866 15.774 1.198 962 HG3 LYS 122 2HG LYS 122 7.226 16.532 2.657 963 HD2 LYS 122 1HD LYS 122 7.852 18.718 1.844 964 HD3 LYS 122 2HD LYS 122 8.626 18.003 0.430 965 HE2 LYS 122 1HE LYS 122 6.456 17.125 -0.301 966 HE3 LYS 122 2HE LYS 122 5.691 17.865 1.104 967 HZ1 LYS 122 1HZ LYS 122 6.273 20.025 0.291 968 HZ2 LYS 122 2HZ LYS 122 5.469 19.192 -0.939 969 HZ3 LYS 122 3HZ LYS 122 7.149 19.369 -0.998 970 H ASP 123 H ASP 123 11.880 14.159 3.763 971 HA ASP 123 HA ASP 123 11.745 14.461 6.593 972 HB2 ASP 123 1HB ASP 123 12.920 12.593 5.419 973 HB3 ASP 123 2HB ASP 123 14.151 13.742 4.913 974 H21 ACD 201 H21 ACD 1 -4.757 4.806 1.349 975 H22 ACD 201 H22 ACD 1 -3.694 4.920 2.755 976 H31 ACD 201 H31 ACD 1 -2.210 6.478 1.486 977 H32 ACD 201 H32 ACD 1 -3.259 6.326 0.078 978 H41 ACD 201 H41 ACD 1 -2.817 3.835 0.081 979 H42 ACD 201 H42 ACD 1 -1.366 4.808 -0.203 980 H5 ACD 201 H5 ACD 1 -2.007 3.218 2.344 981 H6 ACD 201 H6 ACD 1 0.281 3.733 2.828 982 H71 ACD 201 H71 ACD 1 0.747 4.789 0.177 983 H72 ACD 201 H72 ACD 1 -0.134 6.079 0.994 984 H8 ACD 201 H8 ACD 1 1.736 6.380 2.628 985 H9 ACD 201 H9 ACD 1 3.838 5.468 1.971 986 H101 ACD 201 H101 ACD 1 2.758 4.666 -0.602 987 H102 ACD 201 H102 ACD 1 2.291 3.368 0.502 988 H11 ACD 201 H11 ACD 1 5.255 4.245 0.366 989 H12 ACD 201 H12 ACD 1 5.578 1.909 0.062 990 H131 ACD 201 H131 ACD 1 2.602 1.930 -0.627 991 H132 ACD 201 H132 ACD 1 3.699 0.549 -0.722 992 H14 ACD 201 H14 ACD 1 2.566 1.627 1.960 993 H15 ACD 201 H15 ACD 1 2.497 -0.704 2.442 994 H161 ACD 201 H161 ACD 1 2.707 -1.447 -0.346 995 H162 ACD 201 H162 ACD 1 4.360 -1.007 0.099 996 H171 ACD 201 H171 ACD 1 4.435 -2.661 1.847 997 H172 ACD 201 H172 ACD 1 2.699 -2.955 1.733 998 H181 ACD 201 H181 ACD 1 4.712 -3.550 -0.474 999 H182 ACD 201 H182 ACD 1 2.979 -3.889 -0.538 1000 H191 ACD 201 H191 ACD 1 4.985 -5.090 1.424 1001 H192 ACD 201 H192 ACD 1 3.242 -5.363 1.498 1002 H201 ACD 201 H201 ACD 1 5.013 -6.065 -0.852 1003 H202 ACD 201 H202 ACD 1 3.311 -6.363 -0.743 1004 H203 ACD 201 H203 ACD 1 4.403 -7.186 0.317 Start of MODEL 2 1 H1 MET 1 1H MET 1 17.957 16.229 -13.846 2 H2 MET 1 2H MET 1 16.599 17.233 -13.841 3 H3 MET 1 3H MET 1 17.095 16.493 -15.277 4 HA MET 1 HA MET 1 15.162 15.399 -14.336 5 HB2 MET 1 1HB MET 1 16.718 14.062 -15.662 6 HB3 MET 1 2HB MET 1 17.716 13.778 -14.243 7 HG2 MET 1 1HG MET 1 15.857 12.564 -13.197 8 HG3 MET 1 2HG MET 1 14.896 12.812 -14.651 9 HE1 MET 1 1HE MET 1 18.764 11.993 -14.414 10 HE2 MET 1 2HE MET 1 18.723 10.232 -14.480 11 HE3 MET 1 3HE MET 1 18.039 11.079 -13.094 12 H GLU 2 H GLU 2 14.225 15.825 -12.436 13 HA GLU 2 HA GLU 2 15.607 15.008 -9.980 14 HB2 GLU 2 1HB GLU 2 13.224 16.811 -10.376 15 HB3 GLU 2 2HB GLU 2 13.917 16.379 -8.820 16 HG2 GLU 2 1HG GLU 2 15.419 17.788 -10.999 17 HG3 GLU 2 2HG GLU 2 14.599 18.606 -9.671 18 H PHE 3 H PHE 3 15.005 13.204 -9.034 19 HA PHE 3 HA PHE 3 12.667 11.789 -9.961 20 HB2 PHE 3 1HB PHE 3 14.703 10.537 -9.479 21 HB3 PHE 3 2HB PHE 3 14.665 11.083 -7.799 22 HD1 PHE 3 HD1 PHE 3 12.718 9.177 -10.316 23 HD2 PHE 3 HD2 PHE 3 13.569 9.816 -6.202 24 HE1 PHE 3 HE1 PHE 3 11.349 7.214 -9.734 25 HE2 PHE 3 HE2 PHE 3 12.204 7.856 -5.607 26 HZ PHE 3 HZ PHE 3 11.090 6.553 -7.374 27 H THR 4 H THR 4 10.735 12.155 -9.188 28 HA THR 4 HA THR 4 10.468 13.510 -6.603 29 HB THR 4 HB THR 4 8.021 13.111 -8.166 30 HG1 THR 4 HG1 THR 4 9.294 13.442 -9.965 31 HG21 THR 4 1HG2 THR 4 7.767 15.491 -7.692 32 HG22 THR 4 2HG2 THR 4 9.411 15.541 -7.056 33 HG23 THR 4 3HG2 THR 4 8.178 14.583 -6.241 34 H VAL 5 H VAL 5 10.244 12.210 -4.960 35 HA VAL 5 HA VAL 5 8.927 9.628 -5.191 36 HB VAL 5 HB VAL 5 9.694 9.129 -3.087 37 HG11 VAL 5 1HG1 VAL 5 11.620 9.666 -4.423 38 HG12 VAL 5 2HG1 VAL 5 11.908 10.013 -2.721 39 HG13 VAL 5 3HG1 VAL 5 11.582 11.331 -3.846 40 HG21 VAL 5 1HG2 VAL 5 10.013 10.659 -1.243 41 HG22 VAL 5 2HG2 VAL 5 8.407 10.897 -1.931 42 HG23 VAL 5 3HG2 VAL 5 9.700 12.039 -2.295 43 H SER 6 H SER 6 7.008 9.064 -4.181 44 HA SER 6 HA SER 6 5.021 11.105 -4.361 45 HB2 SER 6 1HB SER 6 4.731 8.263 -3.355 46 HB3 SER 6 2HB SER 6 3.433 9.320 -3.913 47 HG SER 6 HG SER 6 5.328 7.895 -5.366 48 H THR 7 H THR 7 5.235 12.623 -2.773 49 HA THR 7 HA THR 7 5.533 11.829 -0.001 50 HB THR 7 HB THR 7 5.512 14.252 0.476 51 HG1 THR 7 HG1 THR 7 4.919 14.383 -2.309 52 HG21 THR 7 1HG2 THR 7 7.623 13.146 -0.078 53 HG22 THR 7 2HG2 THR 7 7.602 14.808 -0.667 54 HG23 THR 7 3HG2 THR 7 7.348 13.473 -1.788 55 H THR 8 H THR 8 4.070 13.340 1.520 56 HA THR 8 HA THR 8 1.496 12.332 1.542 57 HB THR 8 HB THR 8 2.486 14.930 2.726 58 HG1 THR 8 HG1 THR 8 3.656 13.354 3.676 59 HG21 THR 8 1HG2 THR 8 0.040 13.277 3.338 60 HG22 THR 8 2HG2 THR 8 0.078 14.913 2.673 61 HG23 THR 8 3HG2 THR 8 0.619 14.621 4.326 62 H GLU 9 H GLU 9 2.667 15.395 0.237 63 HA GLU 9 HA GLU 9 0.233 16.535 -0.466 64 HB2 GLU 9 1HB GLU 9 2.598 17.547 -0.485 65 HB3 GLU 9 2HB GLU 9 2.748 16.865 -2.093 66 HG2 GLU 9 1HG GLU 9 0.540 18.743 -1.323 67 HG3 GLU 9 2HG GLU 9 2.099 19.295 -1.928 68 H ASP 10 H ASP 10 2.375 14.423 -2.361 69 HA ASP 10 HA ASP 10 0.767 14.398 -4.698 70 HB2 ASP 10 1HB ASP 10 2.740 12.277 -3.812 71 HB3 ASP 10 2HB ASP 10 2.129 12.546 -5.444 72 H LEU 11 H LEU 11 0.956 12.342 -1.853 73 HA LEU 11 HA LEU 11 -0.637 10.261 -2.811 74 HB2 LEU 11 1HB LEU 11 0.779 9.992 -0.875 75 HB3 LEU 11 2HB LEU 11 -0.189 11.162 0.034 76 HG LEU 11 HG LEU 11 -2.114 9.597 -0.149 77 HD11 LEU 11 1HD1 LEU 11 -1.697 7.294 -0.841 78 HD12 LEU 11 2HD1 LEU 11 -0.059 7.735 -1.321 79 HD13 LEU 11 3HD1 LEU 11 -1.444 8.425 -2.166 80 HD21 LEU 11 1HD2 LEU 11 -0.621 9.639 1.820 81 HD22 LEU 11 2HD2 LEU 11 0.345 8.361 1.081 82 HD23 LEU 11 3HD2 LEU 11 -1.332 8.052 1.529 83 H GLN 12 H GLN 12 -1.452 13.316 -1.318 84 HA GLN 12 HA GLN 12 -4.160 12.778 -0.741 85 HB2 GLN 12 1HB GLN 12 -2.737 15.365 -1.349 86 HB3 GLN 12 2HB GLN 12 -4.422 15.283 -0.860 87 HG2 GLN 12 1HG GLN 12 -3.748 14.246 1.252 88 HG3 GLN 12 2HG GLN 12 -2.060 14.370 0.760 89 HE21 GLN 12 1HE2 GLN 12 -1.574 15.674 2.525 90 HE22 GLN 12 2HE2 GLN 12 -2.052 17.331 2.596 91 H ARG 13 H ARG 13 -2.520 13.860 -3.635 92 HA ARG 13 HA ARG 13 -4.728 14.519 -5.214 93 HB2 ARG 13 1HB ARG 13 -2.554 15.064 -6.016 94 HB3 ARG 13 2HB ARG 13 -2.020 13.393 -5.909 95 HG2 ARG 13 1HG ARG 13 -3.655 12.811 -7.682 96 HG3 ARG 13 2HG ARG 13 -4.011 14.539 -7.850 97 HD2 ARG 13 1HD ARG 13 -1.760 14.990 -8.523 98 HD3 ARG 13 2HD ARG 13 -1.266 13.338 -8.152 99 HE ARG 13 HE ARG 13 -3.232 13.020 -10.002 100 HH11 ARG 13 1HH1 ARG 13 -0.239 14.838 -9.893 101 HH12 ARG 13 2HH1 ARG 13 0.025 14.756 -11.606 102 HH21 ARG 13 1HH2 ARG 13 -2.890 12.925 -12.266 103 HH22 ARG 13 2HH2 ARG 13 -1.480 13.666 -12.954 104 H TYR 14 H TYR 14 -2.998 11.440 -4.893 105 HA TYR 14 HA TYR 14 -4.526 10.098 -6.842 106 HB2 TYR 14 1HB TYR 14 -2.918 8.868 -4.599 107 HB3 TYR 14 2HB TYR 14 -3.427 8.084 -6.086 108 HD1 TYR 14 HD1 TYR 14 -0.599 9.124 -4.654 109 HD2 TYR 14 HD2 TYR 14 -2.820 9.936 -8.188 110 HE1 TYR 14 HE1 TYR 14 1.452 9.901 -5.755 111 HE2 TYR 14 HE2 TYR 14 -0.768 10.701 -9.305 112 HH TYR 14 HH TYR 14 2.340 10.164 -8.017 113 H ARG 15 H ARG 15 -4.991 10.509 -3.383 114 HA ARG 15 HA ARG 15 -6.929 8.511 -3.026 115 HB2 ARG 15 1HB ARG 15 -7.116 11.176 -1.644 116 HB3 ARG 15 2HB ARG 15 -7.634 9.609 -1.069 117 HG2 ARG 15 1HG ARG 15 -5.201 8.942 -1.008 118 HG3 ARG 15 2HG ARG 15 -4.831 10.652 -1.254 119 HD2 ARG 15 1HD ARG 15 -6.244 11.169 0.747 120 HD3 ARG 15 2HD ARG 15 -6.389 9.437 1.028 121 HE ARG 15 HE ARG 15 -3.742 10.700 0.956 122 HH11 ARG 15 1HH1 ARG 15 -6.151 8.781 2.601 123 HH12 ARG 15 2HH1 ARG 15 -5.191 8.538 4.021 124 HH21 ARG 15 1HH2 ARG 15 -2.458 10.385 2.845 125 HH22 ARG 15 2HH2 ARG 15 -3.098 9.474 4.170 126 H THR 16 H THR 16 -7.175 11.823 -4.216 127 HA THR 16 HA THR 16 -9.993 11.976 -4.245 128 HB THR 16 HB THR 16 -8.336 13.454 -6.246 129 HG1 THR 16 HG1 THR 16 -7.168 14.368 -4.735 130 HG21 THR 16 1HG2 THR 16 -9.825 15.290 -5.606 131 HG22 THR 16 2HG2 THR 16 -10.598 14.244 -4.416 132 HG23 THR 16 3HG2 THR 16 -10.727 13.871 -6.135 133 H GLU 17 H GLU 17 -7.641 11.138 -6.783 134 HA GLU 17 HA GLU 17 -9.554 10.832 -8.844 135 HB2 GLU 17 1HB GLU 17 -6.995 9.250 -8.810 136 HB3 GLU 17 2HB GLU 17 -7.854 9.933 -10.172 137 HG2 GLU 17 1HG GLU 17 -7.254 12.195 -9.392 138 HG3 GLU 17 2HG GLU 17 -6.255 11.458 -8.138 139 H CYS 18 H CYS 18 -8.276 8.575 -6.462 140 HA CYS 18 HA CYS 18 -9.616 6.325 -7.632 141 HB2 CYS 18 1HB CYS 18 -8.264 6.678 -4.956 142 HB3 CYS 18 2HB CYS 18 -8.940 5.152 -5.545 143 H VAL 19 H VAL 19 -10.369 8.697 -5.187 144 HA VAL 19 HA VAL 19 -12.507 7.302 -3.986 145 HB VAL 19 HB VAL 19 -11.631 10.162 -3.972 146 HG11 VAL 19 1HG1 VAL 19 -13.530 10.774 -2.569 147 HG12 VAL 19 2HG1 VAL 19 -14.238 9.177 -2.814 148 HG13 VAL 19 3HG1 VAL 19 -14.061 10.285 -4.180 149 HG21 VAL 19 1HG2 VAL 19 -11.561 9.734 -1.543 150 HG22 VAL 19 2HG2 VAL 19 -10.562 8.604 -2.459 151 HG23 VAL 19 3HG2 VAL 19 -12.131 8.090 -1.836 152 H SER 20 H SER 20 -12.404 9.845 -6.422 153 HA SER 20 HA SER 20 -15.183 9.909 -6.880 154 HB2 SER 20 1HB SER 20 -14.460 11.114 -9.006 155 HB3 SER 20 2HB SER 20 -13.899 11.804 -7.481 156 HG SER 20 HG SER 20 -11.900 11.302 -7.965 157 H SER 21 H SER 21 -12.572 8.053 -8.367 158 HA SER 21 HA SER 21 -14.120 7.102 -10.563 159 HB2 SER 21 1HB SER 21 -11.645 7.214 -10.590 160 HB3 SER 21 2HB SER 21 -11.588 5.961 -9.354 161 HG SER 21 HG SER 21 -11.318 5.219 -11.564 162 H LEU 22 H LEU 22 -13.137 5.655 -7.447 163 HA LEU 22 HA LEU 22 -14.646 3.257 -8.049 164 HB2 LEU 22 1HB LEU 22 -12.972 4.076 -5.680 165 HB3 LEU 22 2HB LEU 22 -13.797 2.519 -5.803 166 HG LEU 22 HG LEU 22 -11.751 3.474 -7.800 167 HD11 LEU 22 1HD1 LEU 22 -10.703 3.272 -5.617 168 HD12 LEU 22 2HD1 LEU 22 -10.200 1.942 -6.661 169 HD13 LEU 22 3HD1 LEU 22 -11.413 1.671 -5.409 170 HD21 LEU 22 1HD2 LEU 22 -12.863 0.737 -7.218 171 HD22 LEU 22 2HD2 LEU 22 -11.710 1.163 -8.485 172 HD23 LEU 22 3HD2 LEU 22 -13.363 1.774 -8.555 173 H ASN 23 H ASN 23 -15.710 6.116 -7.252 174 HA ASN 23 HA ASN 23 -17.536 6.984 -6.207 175 HB2 ASN 23 1HB ASN 23 -18.451 4.113 -6.321 176 HB3 ASN 23 2HB ASN 23 -19.482 5.488 -5.979 177 HD21 ASN 23 1HD2 ASN 23 -20.015 6.913 -7.625 178 HD22 ASN 23 2HD2 ASN 23 -19.782 6.509 -9.296 179 H ILE 24 H ILE 24 -15.356 6.215 -4.512 180 HA ILE 24 HA ILE 24 -16.145 4.865 -2.181 181 HB ILE 24 HB ILE 24 -14.086 7.065 -2.373 182 HG12 ILE 24 1HG1 ILE 24 -13.713 5.340 -4.122 183 HG13 ILE 24 2HG1 ILE 24 -12.440 5.348 -2.905 184 HG21 ILE 24 1HG2 ILE 24 -13.017 5.891 -0.512 185 HG22 ILE 24 2HG2 ILE 24 -14.333 4.716 -0.498 186 HG23 ILE 24 3HG2 ILE 24 -14.655 6.404 -0.101 187 HD11 ILE 24 1HD1 ILE 24 -13.430 3.390 -1.851 188 HD12 ILE 24 2HD1 ILE 24 -13.067 3.090 -3.551 189 HD13 ILE 24 3HD1 ILE 24 -14.727 3.398 -3.046 190 HA PRO 25 HA PRO 25 -18.843 7.993 -0.384 191 HB2 PRO 25 1HB PRO 25 -18.553 6.355 2.028 192 HB3 PRO 25 2HB PRO 25 -20.007 6.773 1.122 193 HG2 PRO 25 1HG PRO 25 -18.963 4.293 1.118 194 HG3 PRO 25 2HG PRO 25 -19.818 4.979 -0.275 195 HD2 PRO 25 1HD PRO 25 -16.883 4.620 0.164 196 HD3 PRO 25 2HD PRO 25 -17.837 4.464 -1.333 197 H ALA 26 H ALA 26 -18.550 9.696 0.914 198 HA ALA 26 HA ALA 26 -15.962 10.596 1.431 199 HB1 ALA 26 1HB ALA 26 -17.922 12.033 1.070 200 HB2 ALA 26 2HB ALA 26 -17.019 12.473 2.519 201 HB3 ALA 26 3HB ALA 26 -18.528 11.573 2.660 202 H ASP 27 H ASP 27 -18.251 8.935 3.496 203 HA ASP 27 HA ASP 27 -17.138 9.311 5.997 204 HB2 ASP 27 1HB ASP 27 -19.220 8.114 5.680 205 HB3 ASP 27 2HB ASP 27 -18.380 6.798 4.869 206 H TYR 28 H TYR 28 -16.329 6.751 3.644 207 HA TYR 28 HA TYR 28 -14.248 5.613 5.093 208 HB2 TYR 28 1HB TYR 28 -14.989 5.656 2.202 209 HB3 TYR 28 2HB TYR 28 -13.446 4.950 2.683 210 HD1 TYR 28 HD1 TYR 28 -17.110 4.684 3.032 211 HD2 TYR 28 HD2 TYR 28 -13.360 2.823 3.784 212 HE1 TYR 28 HE1 TYR 28 -18.268 2.593 3.609 213 HE2 TYR 28 HE2 TYR 28 -14.507 0.730 4.362 214 HH TYR 28 HH TYR 28 -17.791 0.186 3.703 215 H VAL 29 H VAL 29 -14.280 8.369 2.910 216 HA VAL 29 HA VAL 29 -11.528 8.707 2.555 217 HB VAL 29 HB VAL 29 -13.661 10.831 2.660 218 HG11 VAL 29 1HG1 VAL 29 -10.879 10.855 1.504 219 HG12 VAL 29 2HG1 VAL 29 -11.470 11.823 2.856 220 HG13 VAL 29 3HG1 VAL 29 -12.091 12.107 1.231 221 HG21 VAL 29 1HG2 VAL 29 -14.200 9.138 1.041 222 HG22 VAL 29 2HG2 VAL 29 -12.566 9.197 0.385 223 HG23 VAL 29 3HG2 VAL 29 -13.643 10.584 0.200 224 H GLU 30 H GLU 30 -13.693 10.014 5.065 225 HA GLU 30 HA GLU 30 -11.759 11.511 6.479 226 HB2 GLU 30 1HB GLU 30 -14.058 10.128 7.834 227 HB3 GLU 30 2HB GLU 30 -13.313 11.680 8.204 228 HG2 GLU 30 1HG GLU 30 -14.196 12.594 6.124 229 HG3 GLU 30 2HG GLU 30 -15.000 11.063 5.805 230 H LYS 31 H LYS 31 -12.613 8.127 6.540 231 HA LYS 31 HA LYS 31 -11.130 7.416 8.842 232 HB2 LYS 31 1HB LYS 31 -11.861 5.731 6.439 233 HB3 LYS 31 2HB LYS 31 -11.222 5.113 7.967 234 HG2 LYS 31 1HG LYS 31 -13.207 6.098 9.103 235 HG3 LYS 31 2HG LYS 31 -13.859 6.477 7.511 236 HD2 LYS 31 1HD LYS 31 -13.730 4.078 6.926 237 HD3 LYS 31 2HD LYS 31 -13.171 3.737 8.578 238 HE2 LYS 31 1HE LYS 31 -15.812 5.010 7.835 239 HE3 LYS 31 2HE LYS 31 -15.586 3.334 8.342 240 HZ1 LYS 31 1HZ LYS 31 -16.332 4.704 10.172 241 HZ2 LYS 31 2HZ LYS 31 -15.014 5.745 9.985 242 HZ3 LYS 31 3HZ LYS 31 -14.765 4.146 10.475 243 H PHE 32 H PHE 32 -10.361 7.149 5.381 244 HA PHE 32 HA PHE 32 -7.805 6.089 5.627 245 HB2 PHE 32 1HB PHE 32 -8.764 7.944 3.448 246 HB3 PHE 32 2HB PHE 32 -7.447 6.783 3.332 247 HD1 PHE 32 HD1 PHE 32 -10.044 7.113 1.631 248 HD2 PHE 32 HD2 PHE 32 -8.912 4.532 4.816 249 HE1 PHE 32 HE1 PHE 32 -11.622 5.413 0.813 250 HE2 PHE 32 HE2 PHE 32 -10.489 2.832 4.005 251 HZ PHE 32 HZ PHE 32 -11.843 3.267 1.996 252 H LYS 33 H LYS 33 -8.890 9.412 5.749 253 HA LYS 33 HA LYS 33 -6.427 10.727 5.582 254 HB2 LYS 33 1HB LYS 33 -8.964 11.553 5.743 255 HB3 LYS 33 2HB LYS 33 -8.535 11.740 7.433 256 HG2 LYS 33 1HG LYS 33 -7.018 13.021 5.164 257 HG3 LYS 33 2HG LYS 33 -8.318 13.809 6.065 258 HD2 LYS 33 1HD LYS 33 -7.005 13.484 8.143 259 HD3 LYS 33 2HD LYS 33 -5.691 12.816 7.174 260 HE2 LYS 33 1HE LYS 33 -6.837 15.593 6.895 261 HE3 LYS 33 2HE LYS 33 -5.337 15.188 7.726 262 HZ1 LYS 33 1HZ LYS 33 -4.907 15.981 5.496 263 HZ2 LYS 33 2HZ LYS 33 -5.891 14.778 4.837 264 HZ3 LYS 33 3HZ LYS 33 -4.458 14.356 5.626 265 H LYS 34 H LYS 34 -8.072 9.172 8.286 266 HA LYS 34 HA LYS 34 -5.918 9.974 10.097 267 HB2 LYS 34 1HB LYS 34 -8.577 8.647 10.622 268 HB3 LYS 34 2HB LYS 34 -7.384 8.966 11.874 269 HG2 LYS 34 1HG LYS 34 -7.544 11.391 11.273 270 HG3 LYS 34 2HG LYS 34 -8.890 10.971 10.212 271 HD2 LYS 34 1HD LYS 34 -8.744 10.563 13.198 272 HD3 LYS 34 2HD LYS 34 -9.742 11.736 12.341 273 HE2 LYS 34 1HE LYS 34 -9.977 8.738 12.110 274 HE3 LYS 34 2HE LYS 34 -11.025 9.773 13.077 275 HZ1 LYS 34 1HZ LYS 34 -10.712 9.949 10.128 276 HZ2 LYS 34 2HZ LYS 34 -11.760 10.874 11.079 277 HZ3 LYS 34 3HZ LYS 34 -12.002 9.207 10.931 278 H TRP 35 H TRP 35 -5.576 7.954 7.972 279 HA TRP 35 HA TRP 35 -4.677 5.913 7.600 280 HB2 TRP 35 1HB TRP 35 -3.747 6.350 10.438 281 HB3 TRP 35 2HB TRP 35 -3.161 5.040 9.405 282 HD1 TRP 35 HD1 TRP 35 -2.948 8.828 9.869 283 HE1 TRP 35 HE1 TRP 35 -0.959 9.728 8.507 284 HE3 TRP 35 HE3 TRP 35 -1.711 4.564 7.323 285 HZ2 TRP 35 HZ2 TRP 35 0.883 8.760 6.618 286 HZ3 TRP 35 HZ3 TRP 35 0.176 4.643 5.757 287 HH2 TRP 35 HH2 TRP 35 1.451 6.690 5.406 288 H GLU 36 H GLU 36 -7.385 5.819 8.325 289 HA GLU 36 HA GLU 36 -7.560 3.307 9.839 290 HB2 GLU 36 1HB GLU 36 -9.710 5.274 9.072 291 HB3 GLU 36 2HB GLU 36 -10.009 3.748 9.880 292 HG2 GLU 36 1HG GLU 36 -8.638 4.547 11.771 293 HG3 GLU 36 2HG GLU 36 -8.492 6.100 10.952 294 H PHE 37 H PHE 37 -7.452 1.587 8.558 295 HA PHE 37 HA PHE 37 -8.871 1.714 5.981 296 HB2 PHE 37 1HB PHE 37 -6.388 0.071 6.544 297 HB3 PHE 37 2HB PHE 37 -7.187 0.273 4.988 298 HD1 PHE 37 HD1 PHE 37 -4.941 1.760 7.438 299 HD2 PHE 37 HD2 PHE 37 -6.964 2.372 3.743 300 HE1 PHE 37 HE1 PHE 37 -3.492 3.686 6.968 301 HE2 PHE 37 HE2 PHE 37 -5.518 4.300 3.269 302 HZ PHE 37 HZ PHE 37 -3.776 4.961 4.883 303 HA PRO 38 HA PRO 38 -10.933 -1.554 8.548 304 HB2 PRO 38 1HB PRO 38 -13.071 -0.793 6.637 305 HB3 PRO 38 2HB PRO 38 -13.149 -1.026 8.392 306 HG2 PRO 38 1HG PRO 38 -13.230 1.421 7.382 307 HG3 PRO 38 2HG PRO 38 -12.275 1.083 8.838 308 HD2 PRO 38 1HD PRO 38 -11.329 1.390 5.996 309 HD3 PRO 38 2HD PRO 38 -10.625 2.053 7.503 310 H GLU 39 H GLU 39 -11.380 -3.635 7.999 311 HA GLU 39 HA GLU 39 -10.432 -4.564 5.466 312 HB2 GLU 39 1HB GLU 39 -10.045 -5.806 7.565 313 HB3 GLU 39 2HB GLU 39 -11.771 -6.103 7.696 314 HG2 GLU 39 1HG GLU 39 -11.744 -7.440 5.703 315 HG3 GLU 39 2HG GLU 39 -10.051 -7.039 5.411 316 H ASP 40 H ASP 40 -11.874 -3.451 4.129 317 HA ASP 40 HA ASP 40 -14.427 -4.817 3.697 318 HB2 ASP 40 1HB ASP 40 -14.930 -2.788 5.038 319 HB3 ASP 40 2HB ASP 40 -14.123 -1.800 3.825 320 H ASP 41 H ASP 41 -15.093 -4.781 1.551 321 HA ASP 41 HA ASP 41 -12.968 -4.987 -0.273 322 HB2 ASP 41 1HB ASP 41 -14.655 -5.457 -1.966 323 HB3 ASP 41 2HB ASP 41 -15.033 -6.314 -0.479 324 H THR 42 H THR 42 -15.089 -2.336 0.492 325 HA THR 42 HA THR 42 -14.648 -0.733 -1.791 326 HB THR 42 HB THR 42 -15.055 0.254 1.031 327 HG1 THR 42 HG1 THR 42 -16.721 -1.111 0.802 328 HG21 THR 42 1HG2 THR 42 -16.291 2.066 -0.137 329 HG22 THR 42 2HG2 THR 42 -15.763 1.378 -1.674 330 HG23 THR 42 3HG2 THR 42 -14.575 2.014 -0.536 331 H THR 43 H THR 43 -13.120 -0.598 1.421 332 HA THR 43 HA THR 43 -11.083 1.200 0.887 333 HB THR 43 HB THR 43 -10.947 -1.181 2.743 334 HG1 THR 43 HG1 THR 43 -11.621 0.684 4.239 335 HG21 THR 43 1HG2 THR 43 -9.449 0.305 4.067 336 HG22 THR 43 2HG2 THR 43 -9.491 1.464 2.737 337 HG23 THR 43 3HG2 THR 43 -8.787 -0.131 2.491 338 H MET 44 H MET 44 -11.302 -2.230 0.219 339 HA MET 44 HA MET 44 -8.556 -2.723 -0.148 340 HB2 MET 44 1HB MET 44 -10.950 -4.192 -1.241 341 HB3 MET 44 2HB MET 44 -9.303 -4.808 -1.256 342 HG2 MET 44 1HG MET 44 -9.250 -4.813 1.155 343 HG3 MET 44 2HG MET 44 -10.848 -4.080 1.217 344 HE1 MET 44 1HE MET 44 -10.158 -6.625 2.875 345 HE2 MET 44 2HE MET 44 -11.590 -7.612 2.580 346 HE3 MET 44 3HE MET 44 -11.754 -5.872 2.828 347 H CYS 45 H CYS 45 -11.142 -2.248 -2.571 348 HA CYS 45 HA CYS 45 -9.374 -2.245 -4.776 349 HB2 CYS 45 1HB CYS 45 -12.125 -1.002 -4.531 350 HB3 CYS 45 2HB CYS 45 -11.250 -1.231 -6.039 351 H TYR 46 H TYR 46 -10.444 0.249 -2.570 352 HA TYR 46 HA TYR 46 -9.555 2.502 -3.942 353 HB2 TYR 46 1HB TYR 46 -10.877 2.877 -2.041 354 HB3 TYR 46 2HB TYR 46 -9.865 1.853 -1.022 355 HD1 TYR 46 HD1 TYR 46 -9.852 5.067 -2.910 356 HD2 TYR 46 HD2 TYR 46 -8.200 2.819 0.306 357 HE1 TYR 46 HE1 TYR 46 -8.656 7.063 -2.127 358 HE2 TYR 46 HE2 TYR 46 -6.993 4.813 1.088 359 HH TYR 46 HH TYR 46 -6.249 6.922 0.384 360 H ILE 47 H ILE 47 -7.872 0.431 -1.604 361 HA ILE 47 HA ILE 47 -5.402 1.734 -1.672 362 HB ILE 47 HB ILE 47 -6.087 -1.129 -1.048 363 HG12 ILE 47 1HG1 ILE 47 -7.006 0.510 0.516 364 HG13 ILE 47 2HG1 ILE 47 -5.716 -0.403 1.295 365 HG21 ILE 47 1HG2 ILE 47 -3.838 -1.283 -0.012 366 HG22 ILE 47 2HG2 ILE 47 -3.438 0.276 -0.735 367 HG23 ILE 47 3HG2 ILE 47 -3.788 -1.110 -1.766 368 HD11 ILE 47 1HD1 ILE 47 -5.595 2.415 0.250 369 HD12 ILE 47 2HD1 ILE 47 -4.184 1.512 0.798 370 HD13 ILE 47 3HD1 ILE 47 -5.489 1.876 1.924 371 H LYS 48 H LYS 48 -6.728 -0.832 -3.713 372 HA LYS 48 HA LYS 48 -4.354 -1.477 -5.061 373 HB2 LYS 48 1HB LYS 48 -6.671 -2.655 -5.077 374 HB3 LYS 48 2HB LYS 48 -7.045 -1.571 -6.405 375 HG2 LYS 48 1HG LYS 48 -4.803 -3.587 -6.317 376 HG3 LYS 48 2HG LYS 48 -6.310 -3.752 -7.208 377 HD2 LYS 48 1HD LYS 48 -4.334 -1.532 -7.705 378 HD3 LYS 48 2HD LYS 48 -4.274 -3.077 -8.550 379 HE2 LYS 48 1HE LYS 48 -6.675 -1.255 -8.533 380 HE3 LYS 48 2HE LYS 48 -5.441 -1.248 -9.792 381 HZ1 LYS 48 1HZ LYS 48 -5.954 -3.631 -10.167 382 HZ2 LYS 48 2HZ LYS 48 -7.248 -2.595 -10.511 383 HZ3 LYS 48 3HZ LYS 48 -7.247 -3.489 -9.078 384 H CYS 49 H CYS 49 -7.035 0.671 -6.002 385 HA CYS 49 HA CYS 49 -5.964 1.709 -8.323 386 HB2 CYS 49 1HB CYS 49 -8.218 2.178 -7.829 387 HB3 CYS 49 2HB CYS 49 -7.821 2.947 -6.293 388 H VAL 50 H VAL 50 -5.614 3.011 -5.006 389 HA VAL 50 HA VAL 50 -4.079 5.233 -5.692 390 HB VAL 50 HB VAL 50 -4.326 3.692 -3.122 391 HG11 VAL 50 1HG1 VAL 50 -3.198 5.601 -2.032 392 HG12 VAL 50 2HG1 VAL 50 -2.796 6.244 -3.621 393 HG13 VAL 50 3HG1 VAL 50 -2.122 4.699 -3.096 394 HG21 VAL 50 1HG2 VAL 50 -5.608 5.637 -2.427 395 HG22 VAL 50 2HG2 VAL 50 -6.278 4.928 -3.897 396 HG23 VAL 50 3HG2 VAL 50 -5.306 6.398 -3.990 397 H PHE 51 H PHE 51 -3.124 1.987 -4.676 398 HA PHE 51 HA PHE 51 -0.359 2.442 -4.635 399 HB2 PHE 51 1HB PHE 51 -2.142 0.082 -4.609 400 HB3 PHE 51 2HB PHE 51 -0.493 -0.205 -5.143 401 HD1 PHE 51 HD1 PHE 51 -1.463 2.311 -2.622 402 HD2 PHE 51 HD2 PHE 51 0.188 -1.550 -3.320 403 HE1 PHE 51 HE1 PHE 51 -0.743 2.194 -0.274 404 HE2 PHE 51 HE2 PHE 51 0.907 -1.672 -0.971 405 HZ PHE 51 HZ PHE 51 0.441 0.203 0.555 406 H ASN 52 H ASN 52 -2.578 1.825 -7.205 407 HA ASN 52 HA ASN 52 -0.530 1.133 -9.129 408 HB2 ASN 52 1HB ASN 52 -2.777 0.137 -9.268 409 HB3 ASN 52 2HB ASN 52 -3.473 1.743 -9.516 410 HD21 ASN 52 1HD2 ASN 52 -1.221 -0.601 -10.877 411 HD22 ASN 52 2HD2 ASN 52 -1.449 -0.132 -12.525 412 H LYS 53 H LYS 53 -2.489 3.912 -8.272 413 HA LYS 53 HA LYS 53 -1.665 5.632 -10.365 414 HB2 LYS 53 1HB LYS 53 -2.812 6.065 -7.623 415 HB3 LYS 53 2HB LYS 53 -2.349 7.429 -8.629 416 HG2 LYS 53 1HG LYS 53 -4.237 5.332 -9.637 417 HG3 LYS 53 2HG LYS 53 -4.802 6.645 -8.605 418 HD2 LYS 53 1HD LYS 53 -3.879 8.268 -10.225 419 HD3 LYS 53 2HD LYS 53 -3.413 6.923 -11.271 420 HE2 LYS 53 1HE LYS 53 -5.720 6.260 -11.517 421 HE3 LYS 53 2HE LYS 53 -6.232 7.482 -10.357 422 HZ1 LYS 53 1HZ LYS 53 -6.609 8.150 -12.668 423 HZ2 LYS 53 2HZ LYS 53 -4.947 8.064 -12.969 424 HZ3 LYS 53 3HZ LYS 53 -5.550 9.205 -11.870 425 H MET 54 H MET 54 -0.315 4.677 -7.328 426 HA MET 54 HA MET 54 1.717 6.749 -7.314 427 HB2 MET 54 1HB MET 54 1.143 4.423 -5.475 428 HB3 MET 54 2HB MET 54 2.493 5.524 -5.249 429 HG2 MET 54 1HG MET 54 -0.091 6.856 -5.543 430 HG3 MET 54 2HG MET 54 0.008 5.784 -4.148 431 HE1 MET 54 1HE MET 54 1.327 6.233 -2.024 432 HE2 MET 54 2HE MET 54 2.727 7.306 -1.939 433 HE3 MET 54 3HE MET 54 2.771 5.878 -2.974 434 H GLN 55 H GLN 55 1.316 4.051 -9.035 435 HA GLN 55 HA GLN 55 2.552 2.488 -10.050 436 HB2 GLN 55 1HB GLN 55 4.531 4.723 -9.785 437 HB3 GLN 55 2HB GLN 55 4.923 3.231 -10.654 438 HG2 GLN 55 1HG GLN 55 3.065 3.607 -12.153 439 HG3 GLN 55 2HG GLN 55 2.610 5.052 -11.262 440 HE21 GLN 55 1HE2 GLN 55 3.319 4.738 -14.055 441 HE22 GLN 55 2HE2 GLN 55 4.665 5.790 -14.337 442 H LEU 56 H LEU 56 2.203 1.627 -7.668 443 HA LEU 56 HA LEU 56 4.822 0.804 -6.684 444 HB2 LEU 56 1HB LEU 56 2.611 2.141 -5.291 445 HB3 LEU 56 2HB LEU 56 3.284 0.759 -4.412 446 HG LEU 56 HG LEU 56 4.787 3.184 -5.407 447 HD11 LEU 56 1HD1 LEU 56 5.023 3.749 -3.048 448 HD12 LEU 56 2HD1 LEU 56 4.048 2.351 -2.609 449 HD13 LEU 56 3HD1 LEU 56 3.323 3.677 -3.510 450 HD21 LEU 56 1HD2 LEU 56 6.291 1.344 -5.450 451 HD22 LEU 56 2HD2 LEU 56 5.691 0.746 -3.903 452 HD23 LEU 56 3HD2 LEU 56 6.616 2.245 -3.967 453 H PHE 57 H PHE 57 1.680 -0.081 -7.664 454 HA PHE 57 HA PHE 57 2.289 -2.886 -7.111 455 HB2 PHE 57 1HB PHE 57 0.791 -2.269 -5.283 456 HB3 PHE 57 2HB PHE 57 -0.350 -1.559 -6.418 457 HD1 PHE 57 HD1 PHE 57 -1.907 -2.908 -7.616 458 HD2 PHE 57 HD2 PHE 57 1.071 -4.715 -5.167 459 HE1 PHE 57 HE1 PHE 57 -3.085 -5.058 -7.778 460 HE2 PHE 57 HE2 PHE 57 -0.104 -6.868 -5.329 461 HZ PHE 57 HZ PHE 57 -2.183 -7.043 -6.636 462 H ASP 58 H ASP 58 1.812 -4.180 -8.756 463 HA ASP 58 HA ASP 58 0.150 -3.117 -10.945 464 HB2 ASP 58 1HB ASP 58 2.508 -3.228 -11.627 465 HB3 ASP 58 2HB ASP 58 2.582 -4.918 -11.143 466 H ASP 59 H ASP 59 -1.247 -4.596 -11.943 467 HA ASP 59 HA ASP 59 -2.348 -6.470 -10.087 468 HB2 ASP 59 1HB ASP 59 -3.101 -5.952 -12.964 469 HB3 ASP 59 2HB ASP 59 -4.064 -6.819 -11.786 470 H THR 60 H THR 60 -0.075 -6.692 -12.594 471 HA THR 60 HA THR 60 -0.467 -9.563 -12.921 472 HB THR 60 HB THR 60 1.221 -7.539 -14.369 473 HG1 THR 60 HG1 THR 60 -0.498 -7.482 -15.559 474 HG21 THR 60 1HG2 THR 60 1.135 -10.520 -14.820 475 HG22 THR 60 2HG2 THR 60 2.513 -9.594 -14.220 476 HG23 THR 60 3HG2 THR 60 1.930 -9.342 -15.865 477 H GLU 61 H GLU 61 2.353 -7.402 -12.453 478 HA GLU 61 HA GLU 61 4.023 -9.497 -11.502 479 HB2 GLU 61 1HB GLU 61 4.528 -6.590 -10.990 480 HB3 GLU 61 2HB GLU 61 5.683 -7.883 -11.252 481 HG2 GLU 61 1HG GLU 61 4.971 -8.033 -13.590 482 HG3 GLU 61 2HG GLU 61 3.870 -6.686 -13.323 483 H GLY 62 H GLY 62 1.767 -7.396 -9.957 484 HA2 GLY 62 1HA GLY 62 1.036 -7.512 -7.736 485 HA3 GLY 62 2HA GLY 62 2.436 -8.526 -7.359 486 HA PRO 63 HA PRO 63 3.383 -4.498 -5.336 487 HB2 PRO 63 1HB PRO 63 5.188 -6.364 -3.892 488 HB3 PRO 63 2HB PRO 63 4.082 -5.139 -3.252 489 HG2 PRO 63 1HG PRO 63 3.524 -7.761 -3.083 490 HG3 PRO 63 2HG PRO 63 2.254 -6.550 -3.345 491 HD2 PRO 63 1HD PRO 63 3.521 -8.433 -5.297 492 HD3 PRO 63 2HD PRO 63 1.832 -7.873 -5.193 493 H LEU 64 H LEU 64 4.746 -3.270 -6.442 494 HA LEU 64 HA LEU 64 6.934 -4.423 -7.931 495 HB2 LEU 64 1HB LEU 64 6.245 -1.500 -7.597 496 HB3 LEU 64 2HB LEU 64 7.277 -2.212 -8.820 497 HG LEU 64 HG LEU 64 4.330 -2.791 -8.592 498 HD11 LEU 64 1HD1 LEU 64 5.791 -0.940 -10.469 499 HD12 LEU 64 2HD1 LEU 64 4.688 -0.453 -9.181 500 HD13 LEU 64 3HD1 LEU 64 4.083 -1.367 -10.562 501 HD21 LEU 64 1HD2 LEU 64 6.325 -3.384 -10.766 502 HD22 LEU 64 2HD2 LEU 64 4.608 -3.792 -10.775 503 HD23 LEU 64 3HD2 LEU 64 5.694 -4.554 -9.608 504 H VAL 65 H VAL 65 8.270 -5.218 -6.408 505 HA VAL 65 HA VAL 65 9.057 -4.194 -4.011 506 HB VAL 65 HB VAL 65 10.660 -5.870 -5.926 507 HG11 VAL 65 1HG1 VAL 65 12.162 -4.822 -4.325 508 HG12 VAL 65 2HG1 VAL 65 11.992 -6.544 -3.982 509 HG13 VAL 65 3HG1 VAL 65 11.138 -5.360 -2.992 510 HG21 VAL 65 1HG2 VAL 65 8.889 -6.545 -3.593 511 HG22 VAL 65 2HG2 VAL 65 9.928 -7.703 -4.425 512 HG23 VAL 65 3HG2 VAL 65 8.608 -6.921 -5.292 513 H ASP 66 H ASP 66 10.597 -3.570 -7.161 514 HA ASP 66 HA ASP 66 12.840 -2.227 -6.135 515 HB2 ASP 66 1HB ASP 66 12.715 -3.110 -8.414 516 HB3 ASP 66 2HB ASP 66 11.530 -1.878 -8.831 517 H ASN 67 H ASN 67 9.800 -0.881 -7.461 518 HA ASN 67 HA ASN 67 10.426 1.806 -6.853 519 HB2 ASN 67 1HB ASN 67 7.776 0.433 -7.297 520 HB3 ASN 67 2HB ASN 67 7.923 2.158 -7.011 521 HD21 ASN 67 1HD2 ASN 67 7.073 2.675 -9.019 522 HD22 ASN 67 2HD2 ASN 67 7.971 2.449 -10.483 523 H LEU 68 H LEU 68 8.940 -0.786 -5.052 524 HA LEU 68 HA LEU 68 7.887 0.672 -2.910 525 HB2 LEU 68 1HB LEU 68 8.762 -2.159 -3.284 526 HB3 LEU 68 2HB LEU 68 8.352 -1.590 -1.675 527 HG LEU 68 HG LEU 68 6.464 -1.291 -3.997 528 HD11 LEU 68 1HD1 LEU 68 7.033 -3.669 -3.721 529 HD12 LEU 68 2HD1 LEU 68 5.363 -3.325 -3.274 530 HD13 LEU 68 3HD1 LEU 68 6.582 -3.566 -2.019 531 HD21 LEU 68 1HD2 LEU 68 6.058 -1.344 -1.012 532 HD22 LEU 68 2HD2 LEU 68 4.800 -1.125 -2.229 533 HD23 LEU 68 3HD2 LEU 68 6.056 0.095 -2.030 534 H VAL 69 H VAL 69 11.057 -0.861 -3.302 535 HA VAL 69 HA VAL 69 12.067 -0.059 -0.775 536 HB VAL 69 HB VAL 69 13.554 -0.823 -3.282 537 HG11 VAL 69 1HG1 VAL 69 14.454 -0.650 -0.416 538 HG12 VAL 69 2HG1 VAL 69 15.006 0.354 -1.758 539 HG13 VAL 69 3HG1 VAL 69 15.395 -1.367 -1.724 540 HG21 VAL 69 1HG2 VAL 69 11.988 -2.542 -2.466 541 HG22 VAL 69 2HG2 VAL 69 12.796 -2.504 -0.896 542 HG23 VAL 69 3HG2 VAL 69 13.672 -3.041 -2.331 543 H HIS 70 H HIS 70 12.149 1.390 -4.001 544 HA HIS 70 HA HIS 70 13.931 3.498 -3.357 545 HB2 HIS 70 1HB HIS 70 11.814 3.244 -5.493 546 HB3 HIS 70 2HB HIS 70 12.864 4.650 -5.355 547 HD1 HIS 70 HD1 HIS 70 13.406 3.644 -7.890 548 HD2 HIS 70 HD2 HIS 70 14.966 1.631 -4.608 549 HE1 HIS 70 HE1 HIS 70 15.267 2.224 -8.793 550 HE2 HIS 70 HE2 HIS 70 16.043 0.859 -6.823 551 H GLN 71 H GLN 71 10.494 3.094 -2.985 552 HA GLN 71 HA GLN 71 10.001 5.866 -2.343 553 HB2 GLN 71 1HB GLN 71 8.355 4.348 -3.502 554 HB3 GLN 71 2HB GLN 71 8.169 3.495 -1.974 555 HG2 GLN 71 1HG GLN 71 6.370 5.110 -2.362 556 HG3 GLN 71 2HG GLN 71 7.301 5.457 -0.910 557 HE21 GLN 71 1HE2 GLN 71 8.459 7.318 -0.770 558 HE22 GLN 71 2HE2 GLN 71 8.367 8.580 -1.937 559 H LEU 72 H LEU 72 9.601 2.818 -0.554 560 HA LEU 72 HA LEU 72 9.160 4.037 1.930 561 HB2 LEU 72 1HB LEU 72 10.105 1.260 1.239 562 HB3 LEU 72 2HB LEU 72 9.710 1.761 2.868 563 HG LEU 72 HG LEU 72 7.767 1.788 0.557 564 HD11 LEU 72 1HD1 LEU 72 6.788 -0.198 1.598 565 HD12 LEU 72 2HD1 LEU 72 8.070 -0.205 2.809 566 HD13 LEU 72 3HD1 LEU 72 8.457 -0.498 1.113 567 HD21 LEU 72 1HD2 LEU 72 7.444 2.240 3.518 568 HD22 LEU 72 2HD2 LEU 72 6.098 1.929 2.422 569 HD23 LEU 72 3HD2 LEU 72 7.095 3.368 2.206 570 H ALA 73 H ALA 73 12.092 2.477 0.631 571 HA ALA 73 HA ALA 73 13.612 3.237 2.959 572 HB1 ALA 73 1HB ALA 73 14.562 1.877 0.461 573 HB2 ALA 73 2HB ALA 73 13.861 1.054 1.846 574 HB3 ALA 73 3HB ALA 73 15.374 1.937 2.026 575 H HIS 74 H HIS 74 12.683 5.478 1.250 576 HA HIS 74 HA HIS 74 14.932 6.376 -0.256 577 HB2 HIS 74 1HB HIS 74 13.812 8.490 -0.501 578 HB3 HIS 74 2HB HIS 74 12.597 7.229 -0.639 579 HD1 HIS 74 HD1 HIS 74 13.072 10.416 0.803 580 HD2 HIS 74 HD2 HIS 74 11.258 6.912 2.112 581 HE1 HIS 74 HE1 HIS 74 11.506 11.114 2.637 582 HE2 HIS 74 HE2 HIS 74 10.328 9.001 3.334 583 H GLY 75 H GLY 75 16.835 6.735 0.633 584 HA2 GLY 75 1HA GLY 75 18.454 7.547 2.056 585 HA3 GLY 75 2HA GLY 75 17.225 8.588 2.766 586 H ARG 76 H ARG 76 17.191 5.070 2.538 587 HA ARG 76 HA ARG 76 17.502 4.803 5.414 588 HB2 ARG 76 1HB ARG 76 14.922 4.477 3.947 589 HB3 ARG 76 2HB ARG 76 15.236 3.435 5.336 590 HG2 ARG 76 1HG ARG 76 15.482 5.352 6.760 591 HG3 ARG 76 2HG ARG 76 15.348 6.448 5.387 592 HD2 ARG 76 1HD ARG 76 13.058 5.631 4.997 593 HD3 ARG 76 2HD ARG 76 13.204 4.612 6.429 594 HE ARG 76 HE ARG 76 12.793 6.446 7.723 595 HH11 ARG 76 1HH1 ARG 76 13.852 7.584 4.570 596 HH12 ARG 76 2HH1 ARG 76 13.495 9.244 4.915 597 HH21 ARG 76 1HH2 ARG 76 12.311 8.632 8.157 598 HH22 ARG 76 2HH2 ARG 76 12.612 9.840 6.948 599 H ASP 77 H ASP 77 17.234 2.361 6.001 600 HA ASP 77 HA ASP 77 19.103 0.922 4.465 601 HB2 ASP 77 1HB ASP 77 17.197 -0.026 6.602 602 HB3 ASP 77 2HB ASP 77 18.461 -1.023 5.897 603 H ALA 78 H ALA 78 18.467 0.730 2.393 604 HA ALA 78 HA ALA 78 15.991 -0.074 1.423 605 HB1 ALA 78 1HB ALA 78 18.691 -0.550 0.185 606 HB2 ALA 78 2HB ALA 78 17.760 0.942 0.067 607 HB3 ALA 78 3HB ALA 78 17.140 -0.543 -0.654 608 H GLU 79 H GLU 79 18.757 -1.973 2.450 609 HA GLU 79 HA GLU 79 17.904 -4.463 1.458 610 HB2 GLU 79 1HB GLU 79 19.726 -3.756 3.747 611 HB3 GLU 79 2HB GLU 79 19.460 -5.405 3.199 612 HG2 GLU 79 1HG GLU 79 20.282 -4.759 0.969 613 HG3 GLU 79 2HG GLU 79 20.631 -3.148 1.590 614 H GLU 80 H GLU 80 17.508 -2.992 4.683 615 HA GLU 80 HA GLU 80 16.051 -5.151 5.781 616 HB2 GLU 80 1HB GLU 80 16.101 -2.236 6.543 617 HB3 GLU 80 2HB GLU 80 15.327 -3.496 7.494 618 HG2 GLU 80 1HG GLU 80 17.593 -4.611 7.587 619 HG3 GLU 80 2HG GLU 80 18.243 -3.114 6.936 620 H VAL 81 H VAL 81 15.067 -2.100 4.282 621 HA VAL 81 HA VAL 81 12.314 -2.339 4.581 622 HB VAL 81 HB VAL 81 13.957 -0.965 2.474 623 HG11 VAL 81 1HG1 VAL 81 11.807 -1.353 1.474 624 HG12 VAL 81 2HG1 VAL 81 11.884 0.334 1.985 625 HG13 VAL 81 3HG1 VAL 81 10.984 -0.841 2.947 626 HG21 VAL 81 1HG2 VAL 81 14.289 -0.074 4.647 627 HG22 VAL 81 2HG2 VAL 81 12.558 -0.064 4.972 628 HG23 VAL 81 3HG2 VAL 81 13.235 1.045 3.777 629 H ARG 82 H ARG 82 14.303 -3.254 1.751 630 HA ARG 82 HA ARG 82 12.358 -4.437 0.178 631 HB2 ARG 82 1HB ARG 82 14.718 -3.982 -0.465 632 HB3 ARG 82 2HB ARG 82 15.213 -5.360 0.508 633 HG2 ARG 82 1HG ARG 82 13.985 -6.862 -0.905 634 HG3 ARG 82 2HG ARG 82 13.332 -5.508 -1.825 635 HD2 ARG 82 1HD ARG 82 15.225 -6.638 -2.954 636 HD3 ARG 82 2HD ARG 82 15.513 -4.929 -2.634 637 HE ARG 82 HE ARG 82 16.578 -7.022 -0.855 638 HH11 ARG 82 1HH1 ARG 82 17.060 -4.230 -2.907 639 HH12 ARG 82 2HH1 ARG 82 18.720 -4.023 -2.455 640 HH21 ARG 82 1HH2 ARG 82 18.764 -6.749 -0.249 641 HH22 ARG 82 2HH2 ARG 82 19.691 -5.459 -0.945 642 H THR 83 H THR 83 14.290 -5.802 2.785 643 HA THR 83 HA THR 83 13.526 -8.483 2.552 644 HB THR 83 HB THR 83 14.507 -6.810 4.855 645 HG1 THR 83 HG1 THR 83 16.121 -7.167 3.445 646 HG21 THR 83 1HG2 THR 83 13.175 -8.643 5.798 647 HG22 THR 83 2HG2 THR 83 14.896 -8.855 6.123 648 HG23 THR 83 3HG2 THR 83 14.115 -9.804 4.859 649 H GLU 84 H GLU 84 12.264 -5.939 4.706 650 HA GLU 84 HA GLU 84 10.201 -7.440 5.851 651 HB2 GLU 84 1HB GLU 84 10.599 -4.489 5.500 652 HB3 GLU 84 2HB GLU 84 9.147 -5.133 6.251 653 HG2 GLU 84 1HG GLU 84 11.970 -5.558 7.170 654 HG3 GLU 84 2HG GLU 84 10.760 -4.532 7.937 655 H VAL 85 H VAL 85 10.179 -5.392 2.946 656 HA VAL 85 HA VAL 85 7.477 -5.577 2.306 657 HB VAL 85 HB VAL 85 9.932 -5.376 0.567 658 HG11 VAL 85 1HG1 VAL 85 8.250 -6.515 -0.754 659 HG12 VAL 85 2HG1 VAL 85 8.440 -4.851 -1.320 660 HG13 VAL 85 3HG1 VAL 85 7.052 -5.293 -0.321 661 HG21 VAL 85 1HG2 VAL 85 7.760 -3.417 1.293 662 HG22 VAL 85 2HG2 VAL 85 9.126 -3.088 0.225 663 HG23 VAL 85 3HG2 VAL 85 9.405 -3.443 1.932 664 H LEU 86 H LEU 86 10.150 -7.751 1.445 665 HA LEU 86 HA LEU 86 8.730 -9.501 -0.180 666 HB2 LEU 86 1HB LEU 86 11.176 -9.925 1.526 667 HB3 LEU 86 2HB LEU 86 10.555 -11.138 0.407 668 HG LEU 86 HG LEU 86 11.337 -8.365 -0.458 669 HD11 LEU 86 1HD1 LEU 86 13.449 -9.285 -1.173 670 HD12 LEU 86 2HD1 LEU 86 12.997 -10.876 -0.561 671 HD13 LEU 86 3HD1 LEU 86 13.251 -9.539 0.562 672 HD21 LEU 86 1HD2 LEU 86 10.861 -10.947 -1.932 673 HD22 LEU 86 2HD2 LEU 86 11.468 -9.462 -2.665 674 HD23 LEU 86 3HD2 LEU 86 9.847 -9.505 -1.973 675 H LYS 87 H LYS 87 8.940 -9.356 3.317 676 HA LYS 87 HA LYS 87 7.906 -11.939 3.878 677 HB2 LYS 87 1HB LYS 87 7.897 -9.367 5.457 678 HB3 LYS 87 2HB LYS 87 7.180 -10.850 6.073 679 HG2 LYS 87 1HG LYS 87 9.371 -11.958 5.857 680 HG3 LYS 87 2HG LYS 87 10.067 -10.409 5.347 681 HD2 LYS 87 1HD LYS 87 9.396 -9.413 7.474 682 HD3 LYS 87 2HD LYS 87 8.689 -10.949 7.979 683 HE2 LYS 87 1HE LYS 87 10.818 -10.796 9.013 684 HE3 LYS 87 2HE LYS 87 10.967 -11.969 7.706 685 HZ1 LYS 87 1HZ LYS 87 11.792 -9.118 7.557 686 HZ2 LYS 87 2HZ LYS 87 11.981 -10.282 6.332 687 HZ3 LYS 87 3HZ LYS 87 12.838 -10.435 7.780 688 H CYS 88 H CYS 88 6.481 -9.073 2.708 689 HA CYS 88 HA CYS 88 3.798 -9.965 3.473 690 HB2 CYS 88 1HB CYS 88 4.977 -7.284 2.835 691 HB3 CYS 88 2HB CYS 88 3.221 -7.539 2.722 692 H VAL 89 H VAL 89 5.931 -9.857 0.874 693 HA VAL 89 HA VAL 89 3.968 -9.643 -1.220 694 HB VAL 89 HB VAL 89 6.824 -10.622 -1.349 695 HG11 VAL 89 1HG1 VAL 89 6.589 -10.144 -3.773 696 HG12 VAL 89 2HG1 VAL 89 4.868 -9.857 -3.505 697 HG13 VAL 89 3HG1 VAL 89 5.551 -11.454 -3.210 698 HG21 VAL 89 1HG2 VAL 89 6.811 -8.334 -0.644 699 HG22 VAL 89 2HG2 VAL 89 5.636 -7.907 -1.887 700 HG23 VAL 89 3HG2 VAL 89 7.271 -8.386 -2.344 701 H ASP 90 H ASP 90 2.845 -11.246 -2.097 702 HA ASP 90 HA ASP 90 3.687 -13.988 -1.932 703 HB2 ASP 90 1HB ASP 90 2.468 -13.460 0.250 704 HB3 ASP 90 2HB ASP 90 1.018 -13.257 -0.735 705 H LYS 91 H LYS 91 1.908 -15.390 -3.024 706 HA LYS 91 HA LYS 91 1.532 -14.202 -5.609 707 HB2 LYS 91 1HB LYS 91 0.447 -16.879 -4.788 708 HB3 LYS 91 2HB LYS 91 1.025 -16.352 -6.364 709 HG2 LYS 91 1HG LYS 91 3.307 -16.234 -5.437 710 HG3 LYS 91 2HG LYS 91 2.687 -16.918 -3.936 711 HD2 LYS 91 1HD LYS 91 1.890 -18.883 -5.235 712 HD3 LYS 91 2HD LYS 91 2.684 -18.208 -6.659 713 HE2 LYS 91 1HE LYS 91 3.983 -19.085 -4.087 714 HE3 LYS 91 2HE LYS 91 4.138 -19.842 -5.670 715 HZ1 LYS 91 1HZ LYS 91 5.213 -17.801 -6.464 716 HZ2 LYS 91 2HZ LYS 91 6.071 -18.524 -5.199 717 HZ3 LYS 91 3HZ LYS 91 5.130 -17.151 -4.904 718 H ASN 92 H ASN 92 -0.451 -14.234 -6.792 719 HA ASN 92 HA ASN 92 -2.617 -13.066 -5.325 720 HB2 ASN 92 1HB ASN 92 -1.994 -12.343 -7.614 721 HB3 ASN 92 2HB ASN 92 -2.490 -13.915 -8.216 722 HD21 ASN 92 1HD2 ASN 92 -3.959 -12.874 -9.590 723 HD22 ASN 92 2HD2 ASN 92 -5.476 -12.278 -9.008 724 H THR 93 H THR 93 -2.798 -15.050 -3.963 725 HA THR 93 HA THR 93 -4.379 -17.196 -5.108 726 HB THR 93 HB THR 93 -4.412 -18.059 -2.773 727 HG1 THR 93 HG1 THR 93 -4.234 -16.227 -1.524 728 HG21 THR 93 1HG2 THR 93 -2.646 -18.738 -4.286 729 HG22 THR 93 2HG2 THR 93 -2.011 -18.560 -2.652 730 HG23 THR 93 3HG2 THR 93 -1.702 -17.311 -3.858 731 H ASP 94 H ASP 94 -5.000 -14.116 -4.188 732 HA ASP 94 HA ASP 94 -7.517 -14.579 -2.833 733 HB2 ASP 94 1HB ASP 94 -6.302 -12.005 -3.872 734 HB3 ASP 94 2HB ASP 94 -7.747 -12.124 -2.863 735 H ASN 95 H ASN 95 -6.347 -14.187 -6.008 736 HA ASN 95 HA ASN 95 -7.275 -14.151 -8.057 737 HB2 ASN 95 1HB ASN 95 -8.463 -16.124 -7.235 738 HB3 ASN 95 2HB ASN 95 -9.727 -15.113 -6.568 739 HD21 ASN 95 1HD2 ASN 95 -8.232 -16.235 -9.522 740 HD22 ASN 95 2HD2 ASN 95 -9.610 -15.966 -10.543 741 H ASN 96 H ASN 96 -7.479 -11.862 -6.137 742 HA ASN 96 HA ASN 96 -9.254 -10.194 -7.705 743 HB2 ASN 96 1HB ASN 96 -10.813 -10.959 -6.059 744 HB3 ASN 96 2HB ASN 96 -9.649 -10.737 -4.755 745 HD21 ASN 96 1HD2 ASN 96 -11.807 -9.159 -6.981 746 HD22 ASN 96 2HD2 ASN 96 -11.875 -7.646 -6.145 747 H ALA 97 H ALA 97 -8.119 -8.440 -8.150 748 HA ALA 97 HA ALA 97 -5.573 -7.949 -7.098 749 HB1 ALA 97 1HB ALA 97 -7.332 -6.033 -8.619 750 HB2 ALA 97 2HB ALA 97 -6.295 -7.262 -9.342 751 HB3 ALA 97 3HB ALA 97 -5.581 -5.930 -8.433 752 H CYS 98 H CYS 98 -8.717 -6.603 -6.247 753 HA CYS 98 HA CYS 98 -7.818 -4.413 -4.735 754 HB2 CYS 98 1HB CYS 98 -10.308 -6.066 -4.247 755 HB3 CYS 98 2HB CYS 98 -10.002 -4.443 -3.643 756 H HIS 99 H HIS 99 -8.389 -7.800 -3.783 757 HA HIS 99 HA HIS 99 -7.756 -7.184 -1.023 758 HB2 HIS 99 1HB HIS 99 -9.444 -8.958 -1.839 759 HB3 HIS 99 2HB HIS 99 -8.033 -9.962 -2.156 760 HD1 HIS 99 HD1 HIS 99 -6.972 -11.146 -0.172 761 HD2 HIS 99 HD2 HIS 99 -9.877 -8.380 0.945 762 HE1 HIS 99 HE1 HIS 99 -7.299 -11.457 2.301 763 HE2 HIS 99 HE2 HIS 99 -9.190 -9.912 2.908 764 H TRP 100 H TRP 100 -6.121 -8.305 -3.833 765 HA TRP 100 HA TRP 100 -3.933 -9.592 -2.582 766 HB2 TRP 100 1HB TRP 100 -4.536 -9.815 -5.004 767 HB3 TRP 100 2HB TRP 100 -3.942 -8.175 -5.264 768 HD1 TRP 100 HD1 TRP 100 -1.729 -9.977 -2.884 769 HE1 TRP 100 HE1 TRP 100 0.385 -10.819 -4.086 770 HE3 TRP 100 HE3 TRP 100 -3.192 -9.236 -7.727 771 HZ2 TRP 100 HZ2 TRP 100 1.307 -11.142 -6.733 772 HZ3 TRP 100 HZ3 TRP 100 -1.641 -9.838 -9.530 773 HH2 TRP 100 HH2 TRP 100 0.562 -10.774 -9.053 774 H ALA 101 H ALA 101 -4.238 -6.324 -3.976 775 HA ALA 101 HA ALA 101 -1.757 -5.369 -3.032 776 HB1 ALA 101 1HB ALA 101 -2.940 -4.278 -4.843 777 HB2 ALA 101 2HB ALA 101 -2.669 -3.135 -3.525 778 HB3 ALA 101 3HB ALA 101 -4.262 -3.857 -3.757 779 H PHE 102 H PHE 102 -4.989 -5.411 -1.684 780 HA PHE 102 HA PHE 102 -4.477 -3.708 0.492 781 HB2 PHE 102 1HB PHE 102 -6.731 -4.215 -0.314 782 HB3 PHE 102 2HB PHE 102 -6.566 -5.874 0.250 783 HD1 PHE 102 HD1 PHE 102 -7.279 -6.418 2.405 784 HD2 PHE 102 HD2 PHE 102 -6.456 -2.353 1.439 785 HE1 PHE 102 HE1 PHE 102 -8.149 -5.725 4.598 786 HE2 PHE 102 HE2 PHE 102 -7.321 -1.655 3.635 787 HZ PHE 102 HZ PHE 102 -8.167 -3.338 5.217 788 H ARG 103 H ARG 103 -3.996 -7.129 -0.045 789 HA ARG 103 HA ARG 103 -3.627 -7.870 2.679 790 HB2 ARG 103 1HB ARG 103 -4.100 -9.435 0.714 791 HB3 ARG 103 2HB ARG 103 -2.399 -9.262 0.307 792 HG2 ARG 103 1HG ARG 103 -2.257 -9.881 2.936 793 HG3 ARG 103 2HG ARG 103 -3.687 -10.784 2.441 794 HD2 ARG 103 1HD ARG 103 -0.955 -10.937 1.167 795 HD3 ARG 103 2HD ARG 103 -1.671 -12.147 2.225 796 HE ARG 103 HE ARG 103 -3.290 -11.614 -0.072 797 HH11 ARG 103 1HH1 ARG 103 -0.566 -13.404 1.161 798 HH12 ARG 103 2HH1 ARG 103 -0.593 -14.584 -0.109 799 HH21 ARG 103 1HH2 ARG 103 -3.371 -13.175 -1.735 800 HH22 ARG 103 2HH2 ARG 103 -2.191 -14.461 -1.751 801 H GLY 104 H GLY 104 -1.475 -6.906 0.050 802 HA2 GLY 104 1HA GLY 104 0.972 -7.278 1.417 803 HA3 GLY 104 2HA GLY 104 0.709 -6.198 0.043 804 H PHE 105 H PHE 105 -1.130 -4.456 1.074 805 HA PHE 105 HA PHE 105 0.539 -2.670 2.470 806 HB2 PHE 105 1HB PHE 105 -1.075 -1.806 0.945 807 HB3 PHE 105 2HB PHE 105 -2.390 -2.608 1.789 808 HD1 PHE 105 HD1 PHE 105 -3.798 -1.012 2.700 809 HD2 PHE 105 HD2 PHE 105 0.417 -0.431 2.910 810 HE1 PHE 105 HE1 PHE 105 -4.149 1.046 3.992 811 HE2 PHE 105 HE2 PHE 105 0.062 1.631 4.202 812 HZ PHE 105 HZ PHE 105 -2.218 2.371 4.745 813 H LYS 106 H LYS 106 -2.262 -4.593 3.443 814 HA LYS 106 HA LYS 106 -2.461 -3.596 6.065 815 HB2 LYS 106 1HB LYS 106 -4.403 -4.619 5.433 816 HB3 LYS 106 2HB LYS 106 -3.586 -5.934 4.593 817 HG2 LYS 106 1HG LYS 106 -3.055 -6.952 6.760 818 HG3 LYS 106 2HG LYS 106 -3.875 -5.616 7.574 819 HD2 LYS 106 1HD LYS 106 -5.978 -6.229 6.609 820 HD3 LYS 106 2HD LYS 106 -5.206 -7.430 5.574 821 HE2 LYS 106 1HE LYS 106 -5.236 -7.529 8.586 822 HE3 LYS 106 2HE LYS 106 -6.360 -8.403 7.547 823 HZ1 LYS 106 1HZ LYS 106 -3.416 -8.760 7.675 824 HZ2 LYS 106 2HZ LYS 106 -4.419 -9.512 6.539 825 HZ3 LYS 106 3HZ LYS 106 -4.598 -9.859 8.182 826 H CYS 107 H CYS 107 -0.778 -6.369 4.699 827 HA CYS 107 HA CYS 107 0.121 -7.519 7.082 828 HB2 CYS 107 1HB CYS 107 0.250 -8.831 5.133 829 HB3 CYS 107 2HB CYS 107 1.114 -7.589 4.238 830 H PHE 108 H PHE 108 1.470 -4.985 5.045 831 HA PHE 108 HA PHE 108 4.022 -5.032 6.315 832 HB2 PHE 108 1HB PHE 108 3.532 -4.395 3.915 833 HB3 PHE 108 2HB PHE 108 2.944 -2.856 4.538 834 HD1 PHE 108 HD1 PHE 108 4.487 -1.195 5.360 835 HD2 PHE 108 HD2 PHE 108 5.884 -4.985 4.028 836 HE1 PHE 108 HE1 PHE 108 6.784 -0.325 5.309 837 HE2 PHE 108 HE2 PHE 108 8.182 -4.121 3.980 838 HZ PHE 108 HZ PHE 108 8.635 -1.791 4.614 839 H GLN 109 H GLN 109 1.235 -2.794 6.414 840 HA GLN 109 HA GLN 109 2.485 -0.909 8.109 841 HB2 GLN 109 1HB GLN 109 0.372 0.123 8.356 842 HB3 GLN 109 2HB GLN 109 0.428 -0.492 6.711 843 HG2 GLN 109 1HG GLN 109 -1.000 -2.325 7.286 844 HG3 GLN 109 2HG GLN 109 -0.917 -1.913 9.002 845 HE21 GLN 109 1HE2 GLN 109 -3.120 -1.631 9.250 846 HE22 GLN 109 2HE2 GLN 109 -3.983 -0.320 8.529 847 H LYS 110 H LYS 110 1.061 -3.961 8.738 848 HA LYS 110 HA LYS 110 0.149 -3.611 11.363 849 HB2 LYS 110 1HB LYS 110 -0.325 -5.564 9.901 850 HB3 LYS 110 2HB LYS 110 1.331 -6.104 10.133 851 HG2 LYS 110 1HG LYS 110 0.858 -6.204 12.576 852 HG3 LYS 110 2HG LYS 110 -0.824 -5.850 12.206 853 HD2 LYS 110 1HD LYS 110 -0.813 -7.863 10.697 854 HD3 LYS 110 2HD LYS 110 0.764 -8.265 11.378 855 HE2 LYS 110 1HE LYS 110 -1.002 -9.492 12.516 856 HE3 LYS 110 2HE LYS 110 -0.229 -8.352 13.615 857 HZ1 LYS 110 1HZ LYS 110 -2.065 -6.849 13.354 858 HZ2 LYS 110 2HZ LYS 110 -2.660 -8.367 13.799 859 HZ3 LYS 110 3HZ LYS 110 -2.784 -7.849 12.196 860 H ASN 111 H ASN 111 3.351 -4.232 10.063 861 HA ASN 111 HA ASN 111 4.391 -4.205 12.822 862 HB2 ASN 111 1HB ASN 111 5.505 -5.707 10.449 863 HB3 ASN 111 2HB ASN 111 6.250 -5.608 12.045 864 HD21 ASN 111 1HD2 ASN 111 5.109 -7.872 10.409 865 HD22 ASN 111 2HD2 ASN 111 4.036 -8.670 11.502 866 H ASN 112 H ASN 112 4.476 -2.684 9.759 867 HA ASN 112 HA ASN 112 6.686 -1.003 10.702 868 HB2 ASN 112 1HB ASN 112 6.561 -2.237 7.937 869 HB3 ASN 112 2HB ASN 112 7.667 -0.946 8.411 870 HD21 ASN 112 1HD2 ASN 112 7.218 -4.266 8.187 871 HD22 ASN 112 2HD2 ASN 112 8.602 -4.768 9.096 872 H LEU 113 H LEU 113 4.609 0.255 11.137 873 HA LEU 113 HA LEU 113 3.448 1.456 8.755 874 HB2 LEU 113 1HB LEU 113 1.908 0.911 10.500 875 HB3 LEU 113 2HB LEU 113 2.832 1.810 11.684 876 HG LEU 113 HG LEU 113 2.264 3.903 10.441 877 HD11 LEU 113 1HD1 LEU 113 0.401 2.104 8.901 878 HD12 LEU 113 2HD1 LEU 113 1.868 2.838 8.255 879 HD13 LEU 113 3HD1 LEU 113 0.523 3.858 8.769 880 HD21 LEU 113 1HD2 LEU 113 -0.065 3.981 11.204 881 HD22 LEU 113 2HD2 LEU 113 0.987 3.212 12.394 882 HD23 LEU 113 3HD2 LEU 113 -0.060 2.224 11.376 883 H SER 114 H SER 114 5.658 2.276 11.334 884 HA SER 114 HA SER 114 5.679 5.075 10.991 885 HB2 SER 114 1HB SER 114 7.952 3.320 11.954 886 HB3 SER 114 2HB SER 114 7.764 5.049 12.245 887 HG SER 114 HG SER 114 6.506 2.891 13.449 888 H LEU 115 H LEU 115 7.396 2.480 9.363 889 HA LEU 115 HA LEU 115 9.191 4.107 7.897 890 HB2 LEU 115 1HB LEU 115 9.486 1.688 8.193 891 HB3 LEU 115 2HB LEU 115 8.055 1.398 7.227 892 HG LEU 115 HG LEU 115 9.217 2.482 5.295 893 HD11 LEU 115 1HD1 LEU 115 11.655 2.709 5.417 894 HD12 LEU 115 2HD1 LEU 115 11.593 2.334 7.140 895 HD13 LEU 115 3HD1 LEU 115 10.832 3.804 6.531 896 HD21 LEU 115 1HD2 LEU 115 10.611 0.084 6.479 897 HD22 LEU 115 2HD2 LEU 115 10.586 0.553 4.779 898 HD23 LEU 115 3HD2 LEU 115 9.098 0.045 5.575 899 H ILE 116 H ILE 116 5.888 3.055 7.384 900 HA ILE 116 HA ILE 116 5.690 3.845 4.669 901 HB ILE 116 HB ILE 116 3.470 3.572 6.712 902 HG12 ILE 116 1HG1 ILE 116 4.591 1.559 4.739 903 HG13 ILE 116 2HG1 ILE 116 4.741 1.494 6.503 904 HG21 ILE 116 1HG2 ILE 116 2.757 4.842 4.782 905 HG22 ILE 116 2HG2 ILE 116 2.035 3.231 4.736 906 HG23 ILE 116 3HG2 ILE 116 3.408 3.610 3.699 907 HD11 ILE 116 1HD1 ILE 116 3.030 -0.016 5.917 908 HD12 ILE 116 2HD1 ILE 116 2.273 1.146 4.832 909 HD13 ILE 116 3HD1 ILE 116 2.221 1.405 6.577 910 H LYS 117 H LYS 117 4.885 5.400 7.737 911 HA LYS 117 HA LYS 117 3.889 7.809 6.701 912 HB2 LYS 117 1HB LYS 117 5.232 7.127 9.308 913 HB3 LYS 117 2HB LYS 117 4.615 8.736 8.962 914 HG2 LYS 117 1HG LYS 117 2.374 7.870 8.732 915 HG3 LYS 117 2HG LYS 117 2.950 6.218 8.935 916 HD2 LYS 117 1HD LYS 117 3.599 6.664 11.207 917 HD3 LYS 117 2HD LYS 117 3.249 8.382 11.019 918 HE2 LYS 117 1HE LYS 117 1.164 6.233 10.705 919 HE3 LYS 117 2HE LYS 117 1.509 7.013 12.246 920 HZ1 LYS 117 1HZ LYS 117 0.915 9.130 11.302 921 HZ2 LYS 117 2HZ LYS 117 -0.356 8.040 11.070 922 HZ3 LYS 117 3HZ LYS 117 0.663 8.438 9.780 923 H ALA 118 H ALA 118 7.140 6.740 7.522 924 HA ALA 118 HA ALA 118 8.467 9.198 7.059 925 HB1 ALA 118 1HB ALA 118 10.491 7.864 7.067 926 HB2 ALA 118 2HB ALA 118 9.533 6.390 6.913 927 HB3 ALA 118 3HB ALA 118 9.414 7.370 8.373 928 H SER 119 H SER 119 7.576 6.508 5.015 929 HA SER 119 HA SER 119 9.170 6.976 2.803 930 HB2 SER 119 1HB SER 119 7.755 4.974 3.143 931 HB3 SER 119 2HB SER 119 6.325 5.948 2.809 932 HG SER 119 HG SER 119 8.490 5.603 1.009 933 H ILE 120 H ILE 120 5.953 8.305 3.529 934 HA ILE 120 HA ILE 120 6.093 9.960 1.124 935 HB ILE 120 HB ILE 120 3.757 10.555 1.631 936 HG12 ILE 120 1HG1 ILE 120 3.960 8.580 3.906 937 HG13 ILE 120 2HG1 ILE 120 4.007 10.329 4.122 938 HG21 ILE 120 1HG2 ILE 120 2.781 8.345 1.223 939 HG22 ILE 120 2HG2 ILE 120 4.318 7.599 1.659 940 HG23 ILE 120 3HG2 ILE 120 4.213 8.629 0.232 941 HD11 ILE 120 1HD1 ILE 120 1.781 10.510 3.166 942 HD12 ILE 120 2HD1 ILE 120 1.793 9.434 4.559 943 HD13 ILE 120 3HD1 ILE 120 1.732 8.766 2.929 944 H LYS 121 H LYS 121 7.258 10.235 4.121 945 HA LYS 121 HA LYS 121 6.336 12.865 4.815 946 HB2 LYS 121 1HB LYS 121 6.963 11.211 6.517 947 HB3 LYS 121 2HB LYS 121 8.620 11.236 5.930 948 HG2 LYS 121 1HG LYS 121 8.761 13.628 6.529 949 HG3 LYS 121 2HG LYS 121 7.127 13.529 7.189 950 HD2 LYS 121 1HD LYS 121 9.500 11.916 8.126 951 HD3 LYS 121 2HD LYS 121 8.836 13.332 8.942 952 HE2 LYS 121 1HE LYS 121 6.720 12.161 9.269 953 HE3 LYS 121 2HE LYS 121 7.360 10.753 8.423 954 HZ1 LYS 121 1HZ LYS 121 9.000 10.481 10.142 955 HZ2 LYS 121 2HZ LYS 121 7.461 10.514 10.835 956 HZ3 LYS 121 3HZ LYS 121 8.463 11.872 10.938 957 H LYS 122 H LYS 122 7.049 14.663 3.970 958 HA LYS 122 HA LYS 122 9.088 14.882 2.090 959 HB2 LYS 122 1HB LYS 122 7.196 16.595 3.339 960 HB3 LYS 122 2HB LYS 122 8.746 17.400 3.393 961 HG2 LYS 122 1HG LYS 122 7.413 16.306 0.919 962 HG3 LYS 122 2HG LYS 122 7.461 18.003 1.401 963 HD2 LYS 122 1HD LYS 122 9.891 17.997 1.214 964 HD3 LYS 122 2HD LYS 122 9.866 16.289 0.777 965 HE2 LYS 122 1HE LYS 122 8.598 16.808 -1.236 966 HE3 LYS 122 2HE LYS 122 8.568 18.515 -0.791 967 HZ1 LYS 122 1HZ LYS 122 10.986 18.546 -0.946 968 HZ2 LYS 122 2HZ LYS 122 10.286 18.081 -2.413 969 HZ3 LYS 122 3HZ LYS 122 10.991 16.920 -1.409 970 H ASP 123 H ASP 123 11.224 15.177 2.202 971 HA ASP 123 HA ASP 123 12.502 14.853 4.754 972 HB2 ASP 123 1HB ASP 123 14.562 14.635 3.527 973 HB3 ASP 123 2HB ASP 123 13.321 13.721 2.680 974 H21 ACD 201 H21 ACD 1 -4.398 4.177 1.152 975 H22 ACD 201 H22 ACD 1 -3.555 4.787 2.583 976 H31 ACD 201 H31 ACD 1 -2.080 6.142 1.240 977 H32 ACD 201 H32 ACD 1 -3.026 5.861 -0.213 978 H41 ACD 201 H41 ACD 1 -2.445 3.409 -0.061 979 H42 ACD 201 H42 ACD 1 -1.039 4.458 -0.303 980 H5 ACD 201 H5 ACD 1 -1.714 2.884 2.229 981 H6 ACD 201 H6 ACD 1 0.418 3.712 2.938 982 H71 ACD 201 H71 ACD 1 0.853 4.872 0.264 983 H72 ACD 201 H72 ACD 1 -0.072 6.057 1.189 984 H8 ACD 201 H8 ACD 1 1.818 6.369 2.770 985 H9 ACD 201 H9 ACD 1 3.926 5.462 2.123 986 H101 ACD 201 H101 ACD 1 2.845 4.679 -0.461 987 H102 ACD 201 H102 ACD 1 2.394 3.369 0.634 988 H11 ACD 201 H11 ACD 1 5.347 4.276 0.492 989 H12 ACD 201 H12 ACD 1 5.692 1.947 0.173 990 H131 ACD 201 H131 ACD 1 2.715 1.946 -0.501 991 H132 ACD 201 H132 ACD 1 3.823 0.576 -0.610 992 H14 ACD 201 H14 ACD 1 2.718 1.623 2.096 993 H15 ACD 201 H15 ACD 1 2.608 -0.717 2.527 994 H161 ACD 201 H161 ACD 1 2.791 -1.365 -0.300 995 H162 ACD 201 H162 ACD 1 4.456 -1.028 0.188 996 H171 ACD 201 H171 ACD 1 4.394 -2.740 1.897 997 H172 ACD 201 H172 ACD 1 2.657 -2.962 1.692 998 H181 ACD 201 H181 ACD 1 4.740 -3.538 -0.456 999 H182 ACD 201 H182 ACD 1 3.003 -3.825 -0.595 1000 H191 ACD 201 H191 ACD 1 4.919 -5.163 1.365 1001 H192 ACD 201 H192 ACD 1 3.168 -5.366 1.418 1002 H201 ACD 201 H201 ACD 1 4.951 -6.090 -0.921 1003 H202 ACD 201 H202 ACD 1 3.232 -6.282 -0.880 1004 H203 ACD 201 H203 ACD 1 4.231 -7.207 0.188 Start of MODEL 3 1 H1 MET 1 1H MET 1 19.073 12.874 -14.665 2 H2 MET 1 2H MET 1 17.586 13.671 -14.714 3 H3 MET 1 3H MET 1 18.184 12.917 -16.103 4 HA MET 1 HA MET 1 16.441 11.604 -15.107 5 HB2 MET 1 1HB MET 1 19.211 10.427 -14.850 6 HB3 MET 1 2HB MET 1 17.731 9.482 -14.804 7 HG2 MET 1 1HG MET 1 18.728 11.127 -17.114 8 HG3 MET 1 2HG MET 1 18.750 9.371 -16.989 9 HE1 MET 1 1HE MET 1 14.916 8.530 -17.020 10 HE2 MET 1 2HE MET 1 15.930 8.816 -15.608 11 HE3 MET 1 3HE MET 1 16.548 7.868 -16.958 12 H GLU 2 H GLU 2 15.521 12.400 -13.222 13 HA GLU 2 HA GLU 2 16.651 11.256 -10.766 14 HB2 GLU 2 1HB GLU 2 15.485 14.027 -10.989 15 HB3 GLU 2 2HB GLU 2 16.026 13.256 -9.508 16 HG2 GLU 2 1HG GLU 2 18.305 13.165 -10.436 17 HG3 GLU 2 2HG GLU 2 17.727 14.041 -11.852 18 H PHE 3 H PHE 3 15.228 9.682 -10.459 19 HA PHE 3 HA PHE 3 12.491 9.761 -11.057 20 HB2 PHE 3 1HB PHE 3 13.629 7.648 -10.718 21 HB3 PHE 3 2HB PHE 3 13.980 8.068 -9.039 22 HD1 PHE 3 HD1 PHE 3 11.305 7.181 -11.411 23 HD2 PHE 3 HD2 PHE 3 12.379 7.725 -7.336 24 HE1 PHE 3 HE1 PHE 3 9.194 6.121 -10.716 25 HE2 PHE 3 HE2 PHE 3 10.275 6.669 -6.627 26 HZ PHE 3 HZ PHE 3 8.676 5.864 -8.322 27 H THR 4 H THR 4 10.855 10.706 -10.117 28 HA THR 4 HA THR 4 11.241 11.954 -7.495 29 HB THR 4 HB THR 4 8.705 12.504 -8.827 30 HG1 THR 4 HG1 THR 4 11.165 13.191 -10.117 31 HG21 THR 4 1HG2 THR 4 9.614 13.740 -6.922 32 HG22 THR 4 2HG2 THR 4 9.346 14.790 -8.315 33 HG23 THR 4 3HG2 THR 4 10.978 14.256 -7.913 34 H VAL 5 H VAL 5 10.248 11.270 -5.762 35 HA VAL 5 HA VAL 5 8.539 8.899 -5.961 36 HB VAL 5 HB VAL 5 9.025 8.440 -3.753 37 HG11 VAL 5 1HG1 VAL 5 11.036 8.283 -5.021 38 HG12 VAL 5 2HG1 VAL 5 11.400 8.810 -3.377 39 HG13 VAL 5 3HG1 VAL 5 11.415 9.975 -4.700 40 HG21 VAL 5 1HG2 VAL 5 8.225 10.567 -2.805 41 HG22 VAL 5 2HG2 VAL 5 9.742 11.336 -3.271 42 HG23 VAL 5 3HG2 VAL 5 9.738 10.049 -2.064 43 H SER 6 H SER 6 6.489 8.777 -5.252 44 HA SER 6 HA SER 6 4.939 11.157 -5.391 45 HB2 SER 6 1HB SER 6 4.128 8.355 -4.561 46 HB3 SER 6 2HB SER 6 3.022 9.662 -4.985 47 HG SER 6 HG SER 6 4.618 9.577 -6.994 48 H THR 7 H THR 7 5.063 12.592 -3.799 49 HA THR 7 HA THR 7 5.581 11.814 -1.074 50 HB THR 7 HB THR 7 5.603 14.210 -0.605 51 HG1 THR 7 HG1 THR 7 4.823 14.516 -3.350 52 HG21 THR 7 1HG2 THR 7 7.029 13.568 -3.189 53 HG22 THR 7 2HG2 THR 7 7.614 13.181 -1.572 54 HG23 THR 7 3HG2 THR 7 7.441 14.864 -2.068 55 H THR 8 H THR 8 4.231 13.321 0.556 56 HA THR 8 HA THR 8 1.708 12.221 0.849 57 HB THR 8 HB THR 8 2.718 14.853 1.933 58 HG1 THR 8 HG1 THR 8 3.921 12.815 2.406 59 HG21 THR 8 1HG2 THR 8 0.442 13.083 2.810 60 HG22 THR 8 2HG2 THR 8 0.322 14.713 2.145 61 HG23 THR 8 3HG2 THR 8 1.059 14.458 3.728 62 H GLU 9 H GLU 9 2.629 15.350 -0.551 63 HA GLU 9 HA GLU 9 0.014 16.257 -0.999 64 HB2 GLU 9 1HB GLU 9 2.030 17.704 -1.032 65 HB3 GLU 9 2HB GLU 9 2.479 16.991 -2.576 66 HG2 GLU 9 1HG GLU 9 0.389 17.818 -3.545 67 HG3 GLU 9 2HG GLU 9 -0.015 18.566 -2.002 68 H ASP 10 H ASP 10 2.257 14.457 -3.075 69 HA ASP 10 HA ASP 10 0.580 14.372 -5.359 70 HB2 ASP 10 1HB ASP 10 2.656 12.327 -4.543 71 HB3 ASP 10 2HB ASP 10 1.975 12.555 -6.150 72 H LEU 11 H LEU 11 0.982 12.290 -2.568 73 HA LEU 11 HA LEU 11 -0.661 10.185 -3.374 74 HB2 LEU 11 1HB LEU 11 0.866 9.949 -1.539 75 HB3 LEU 11 2HB LEU 11 0.027 11.200 -0.616 76 HG LEU 11 HG LEU 11 -1.956 9.687 -0.539 77 HD11 LEU 11 1HD1 LEU 11 -1.711 7.366 -1.118 78 HD12 LEU 11 2HD1 LEU 11 -0.041 7.631 -1.621 79 HD13 LEU 11 3HD1 LEU 11 -1.363 8.357 -2.533 80 HD21 LEU 11 1HD2 LEU 11 -1.135 8.430 1.271 81 HD22 LEU 11 2HD2 LEU 11 -0.121 9.869 1.222 82 HD23 LEU 11 3HD2 LEU 11 0.484 8.341 0.583 83 H GLN 12 H GLN 12 -1.398 13.285 -1.927 84 HA GLN 12 HA GLN 12 -4.074 12.754 -1.193 85 HB2 GLN 12 1HB GLN 12 -2.669 15.322 -1.909 86 HB3 GLN 12 2HB GLN 12 -4.344 15.263 -1.378 87 HG2 GLN 12 1HG GLN 12 -3.683 14.362 0.753 88 HG3 GLN 12 2HG GLN 12 -2.007 14.254 0.224 89 HE21 GLN 12 1HE2 GLN 12 -2.134 16.840 -1.171 90 HE22 GLN 12 2HE2 GLN 12 -2.083 18.037 0.077 91 H ARG 13 H ARG 13 -2.595 13.862 -4.181 92 HA ARG 13 HA ARG 13 -4.923 14.371 -5.653 93 HB2 ARG 13 1HB ARG 13 -2.804 15.036 -6.563 94 HB3 ARG 13 2HB ARG 13 -2.204 13.382 -6.527 95 HG2 ARG 13 1HG ARG 13 -4.054 12.804 -8.143 96 HG3 ARG 13 2HG ARG 13 -4.308 14.549 -8.323 97 HD2 ARG 13 1HD ARG 13 -2.187 14.855 -9.284 98 HD3 ARG 13 2HD ARG 13 -1.621 13.278 -8.732 99 HE ARG 13 HE ARG 13 -3.847 13.010 -10.483 100 HH11 ARG 13 1HH1 ARG 13 -0.402 13.693 -10.487 101 HH12 ARG 13 2HH1 ARG 13 -0.144 12.997 -12.054 102 HH21 ARG 13 1HH2 ARG 13 -3.484 12.070 -12.530 103 HH22 ARG 13 2HH2 ARG 13 -1.888 12.065 -13.207 104 H TYR 14 H TYR 14 -2.887 11.446 -5.676 105 HA TYR 14 HA TYR 14 -4.548 9.948 -7.354 106 HB2 TYR 14 1HB TYR 14 -2.615 8.922 -5.267 107 HB3 TYR 14 2HB TYR 14 -3.273 8.001 -6.613 108 HD1 TYR 14 HD1 TYR 14 -3.041 9.588 -8.919 109 HD2 TYR 14 HD2 TYR 14 -0.361 9.391 -5.623 110 HE1 TYR 14 HE1 TYR 14 -1.206 10.320 -10.375 111 HE2 TYR 14 HE2 TYR 14 1.481 10.131 -7.072 112 HH TYR 14 HH TYR 14 2.030 10.087 -9.521 113 H ARG 15 H ARG 15 -4.499 10.198 -3.838 114 HA ARG 15 HA ARG 15 -6.290 8.089 -3.363 115 HB2 ARG 15 1HB ARG 15 -5.520 8.544 -1.320 116 HB3 ARG 15 2HB ARG 15 -4.961 10.131 -1.822 117 HG2 ARG 15 1HG ARG 15 -7.102 11.104 -1.310 118 HG3 ARG 15 2HG ARG 15 -7.796 9.510 -0.999 119 HD2 ARG 15 1HD ARG 15 -6.286 9.208 0.898 120 HD3 ARG 15 2HD ARG 15 -5.556 10.782 0.584 121 HE ARG 15 HE ARG 15 -8.067 11.509 0.909 122 HH11 ARG 15 1HH1 ARG 15 -6.236 9.140 2.740 123 HH12 ARG 15 2HH1 ARG 15 -7.067 9.480 4.226 124 HH21 ARG 15 1HH2 ARG 15 -9.170 11.933 2.853 125 HH22 ARG 15 2HH2 ARG 15 -8.762 11.046 4.283 126 H THR 16 H THR 16 -6.735 11.514 -3.979 127 HA THR 16 HA THR 16 -9.502 11.652 -3.519 128 HB THR 16 HB THR 16 -7.633 13.289 -5.224 129 HG1 THR 16 HG1 THR 16 -7.236 13.710 -3.134 130 HG21 THR 16 1HG2 THR 16 -10.544 13.826 -4.630 131 HG22 THR 16 2HG2 THR 16 -9.842 13.473 -6.212 132 HG23 THR 16 3HG2 THR 16 -9.428 14.972 -5.374 133 H GLU 17 H GLU 17 -7.637 11.221 -6.522 134 HA GLU 17 HA GLU 17 -9.843 11.074 -8.256 135 HB2 GLU 17 1HB GLU 17 -7.346 9.508 -8.830 136 HB3 GLU 17 2HB GLU 17 -8.361 10.415 -9.928 137 HG2 GLU 17 1HG GLU 17 -7.545 12.509 -9.009 138 HG3 GLU 17 2HG GLU 17 -6.513 11.621 -7.884 139 H CYS 18 H CYS 18 -8.166 8.580 -6.400 140 HA CYS 18 HA CYS 18 -9.626 6.410 -7.514 141 HB2 CYS 18 1HB CYS 18 -8.080 6.635 -4.927 142 HB3 CYS 18 2HB CYS 18 -8.796 5.136 -5.539 143 H VAL 19 H VAL 19 -10.124 8.552 -4.782 144 HA VAL 19 HA VAL 19 -12.247 7.149 -3.591 145 HB VAL 19 HB VAL 19 -11.279 9.975 -3.430 146 HG11 VAL 19 1HG1 VAL 19 -13.077 10.562 -1.900 147 HG12 VAL 19 2HG1 VAL 19 -13.853 9.007 -2.190 148 HG13 VAL 19 3HG1 VAL 19 -13.717 10.183 -3.501 149 HG21 VAL 19 1HG2 VAL 19 -11.713 7.739 -1.455 150 HG22 VAL 19 2HG2 VAL 19 -11.178 9.361 -1.014 151 HG23 VAL 19 3HG2 VAL 19 -10.172 8.356 -2.057 152 H SER 20 H SER 20 -12.229 9.892 -5.818 153 HA SER 20 HA SER 20 -15.023 10.027 -6.132 154 HB2 SER 20 1HB SER 20 -13.395 11.846 -6.646 155 HB3 SER 20 2HB SER 20 -12.881 10.939 -8.066 156 HG SER 20 HG SER 20 -15.482 11.962 -7.549 157 H SER 21 H SER 21 -12.526 8.250 -7.910 158 HA SER 21 HA SER 21 -14.190 7.470 -10.079 159 HB2 SER 21 1HB SER 21 -11.741 7.489 -10.240 160 HB3 SER 21 2HB SER 21 -11.642 6.223 -9.023 161 HG SER 21 HG SER 21 -12.798 6.027 -11.608 162 H LEU 22 H LEU 22 -13.155 5.786 -7.101 163 HA LEU 22 HA LEU 22 -14.713 3.462 -7.832 164 HB2 LEU 22 1HB LEU 22 -12.979 4.099 -5.451 165 HB3 LEU 22 2HB LEU 22 -13.838 2.568 -5.645 166 HG LEU 22 HG LEU 22 -11.848 3.596 -7.657 167 HD11 LEU 22 1HD1 LEU 22 -11.412 1.683 -5.369 168 HD12 LEU 22 2HD1 LEU 22 -10.726 3.301 -5.513 169 HD13 LEU 22 3HD1 LEU 22 -10.249 2.038 -6.648 170 HD21 LEU 22 1HD2 LEU 22 -13.499 1.933 -8.418 171 HD22 LEU 22 2HD2 LEU 22 -12.955 0.843 -7.140 172 HD23 LEU 22 3HD2 LEU 22 -11.847 1.313 -8.432 173 H ASN 23 H ASN 23 -15.690 6.284 -6.760 174 HA ASN 23 HA ASN 23 -17.437 7.119 -5.567 175 HB2 ASN 23 1HB ASN 23 -18.575 5.454 -7.073 176 HB3 ASN 23 2HB ASN 23 -18.566 4.327 -5.733 177 HD21 ASN 23 1HD2 ASN 23 -19.863 7.307 -6.958 178 HD22 ASN 23 2HD2 ASN 23 -21.203 7.404 -5.861 179 H ILE 24 H ILE 24 -15.269 6.392 -4.016 180 HA ILE 24 HA ILE 24 -15.996 4.807 -1.774 181 HB ILE 24 HB ILE 24 -13.848 6.923 -1.899 182 HG12 ILE 24 1HG1 ILE 24 -13.610 5.303 -3.763 183 HG13 ILE 24 2HG1 ILE 24 -12.311 5.149 -2.583 184 HG21 ILE 24 1HG2 ILE 24 -12.781 5.541 -0.163 185 HG22 ILE 24 2HG2 ILE 24 -14.198 4.491 -0.152 186 HG23 ILE 24 3HG2 ILE 24 -14.344 6.176 0.345 187 HD11 ILE 24 1HD1 ILE 24 -14.718 3.355 -2.804 188 HD12 ILE 24 2HD1 ILE 24 -13.405 3.185 -1.637 189 HD13 ILE 24 3HD1 ILE 24 -13.086 2.981 -3.361 190 HA PRO 25 HA PRO 25 -18.714 7.834 0.105 191 HB2 PRO 25 1HB PRO 25 -18.434 6.064 2.439 192 HB3 PRO 25 2HB PRO 25 -19.882 6.563 1.567 193 HG2 PRO 25 1HG PRO 25 -18.894 4.079 1.385 194 HG3 PRO 25 2HG PRO 25 -19.709 4.884 0.033 195 HD2 PRO 25 1HD PRO 25 -16.793 4.415 0.485 196 HD3 PRO 25 2HD PRO 25 -17.725 4.411 -1.034 197 H ALA 26 H ALA 26 -18.517 9.476 1.497 198 HA ALA 26 HA ALA 26 -15.994 10.457 2.135 199 HB1 ALA 26 1HB ALA 26 -18.625 11.197 3.397 200 HB2 ALA 26 2HB ALA 26 -18.013 11.820 1.866 201 HB3 ALA 26 3HB ALA 26 -17.163 12.184 3.368 202 H ASP 27 H ASP 27 -18.196 8.520 4.052 203 HA ASP 27 HA ASP 27 -17.132 8.770 6.595 204 HB2 ASP 27 1HB ASP 27 -18.213 6.297 5.228 205 HB3 ASP 27 2HB ASP 27 -17.867 6.394 6.949 206 H TYR 28 H TYR 28 -16.203 6.353 4.139 207 HA TYR 28 HA TYR 28 -14.061 5.253 5.516 208 HB2 TYR 28 1HB TYR 28 -14.755 5.454 2.605 209 HB3 TYR 28 2HB TYR 28 -13.239 4.706 3.103 210 HD1 TYR 28 HD1 TYR 28 -13.220 2.493 4.013 211 HD2 TYR 28 HD2 TYR 28 -16.916 4.474 3.318 212 HE1 TYR 28 HE1 TYR 28 -14.416 0.376 4.372 213 HE2 TYR 28 HE2 TYR 28 -18.121 2.364 3.664 214 HH TYR 28 HH TYR 28 -16.400 -0.608 4.590 215 H VAL 29 H VAL 29 -14.213 8.042 3.369 216 HA VAL 29 HA VAL 29 -11.507 8.491 2.944 217 HB VAL 29 HB VAL 29 -13.709 10.531 3.161 218 HG11 VAL 29 1HG1 VAL 29 -10.970 10.693 1.925 219 HG12 VAL 29 2HG1 VAL 29 -11.559 11.609 3.312 220 HG13 VAL 29 3HG1 VAL 29 -12.241 11.897 1.711 221 HG21 VAL 29 1HG2 VAL 29 -13.783 10.326 0.708 222 HG22 VAL 29 2HG2 VAL 29 -14.204 8.822 1.526 223 HG23 VAL 29 3HG2 VAL 29 -12.604 9.016 0.806 224 H GLU 30 H GLU 30 -13.584 9.670 5.602 225 HA GLU 30 HA GLU 30 -11.596 11.207 6.897 226 HB2 GLU 30 1HB GLU 30 -13.716 9.743 8.438 227 HB3 GLU 30 2HB GLU 30 -12.985 11.309 8.752 228 HG2 GLU 30 1HG GLU 30 -14.108 12.170 6.725 229 HG3 GLU 30 2HG GLU 30 -14.974 10.638 6.622 230 H LYS 31 H LYS 31 -12.516 7.820 7.167 231 HA LYS 31 HA LYS 31 -10.940 7.168 9.397 232 HB2 LYS 31 1HB LYS 31 -11.802 5.383 7.117 233 HB3 LYS 31 2HB LYS 31 -11.166 4.837 8.663 234 HG2 LYS 31 1HG LYS 31 -13.068 5.959 9.786 235 HG3 LYS 31 2HG LYS 31 -13.731 6.331 8.192 236 HD2 LYS 31 1HD LYS 31 -13.775 3.902 7.687 237 HD3 LYS 31 2HD LYS 31 -13.228 3.580 9.346 238 HE2 LYS 31 1HE LYS 31 -15.237 4.709 10.214 239 HE3 LYS 31 2HE LYS 31 -15.779 5.016 8.568 240 HZ1 LYS 31 1HZ LYS 31 -15.360 2.324 9.742 241 HZ2 LYS 31 2HZ LYS 31 -15.973 2.661 8.201 242 HZ3 LYS 31 3HZ LYS 31 -16.857 3.092 9.576 243 H PHE 32 H PHE 32 -10.266 6.917 5.928 244 HA PHE 32 HA PHE 32 -7.742 5.759 6.092 245 HB2 PHE 32 1HB PHE 32 -8.676 7.739 4.014 246 HB3 PHE 32 2HB PHE 32 -7.357 6.589 3.842 247 HD1 PHE 32 HD1 PHE 32 -9.858 6.968 2.086 248 HD2 PHE 32 HD2 PHE 32 -8.907 4.295 5.255 249 HE1 PHE 32 HE1 PHE 32 -11.418 5.310 1.157 250 HE2 PHE 32 HE2 PHE 32 -10.465 2.638 4.331 251 HZ PHE 32 HZ PHE 32 -11.721 3.140 2.276 252 H LYS 33 H LYS 33 -8.734 9.106 6.415 253 HA LYS 33 HA LYS 33 -6.176 10.293 6.213 254 HB2 LYS 33 1HB LYS 33 -8.492 11.430 6.180 255 HB3 LYS 33 2HB LYS 33 -8.395 11.369 7.939 256 HG2 LYS 33 1HG LYS 33 -7.651 13.518 7.276 257 HG3 LYS 33 2HG LYS 33 -6.225 12.598 7.784 258 HD2 LYS 33 1HD LYS 33 -5.725 12.105 5.429 259 HD3 LYS 33 2HD LYS 33 -7.131 13.046 4.937 260 HE2 LYS 33 1HE LYS 33 -5.162 14.395 4.680 261 HE3 LYS 33 2HE LYS 33 -6.121 15.032 6.013 262 HZ1 LYS 33 1HZ LYS 33 -4.629 13.918 7.564 263 HZ2 LYS 33 2HZ LYS 33 -3.772 14.977 6.564 264 HZ3 LYS 33 3HZ LYS 33 -3.711 13.313 6.278 265 H LYS 34 H LYS 34 -7.938 8.864 8.912 266 HA LYS 34 HA LYS 34 -5.817 9.579 10.769 267 HB2 LYS 34 1HB LYS 34 -8.433 8.120 11.129 268 HB3 LYS 34 2HB LYS 34 -7.241 8.226 12.414 269 HG2 LYS 34 1HG LYS 34 -8.680 9.949 12.919 270 HG3 LYS 34 2HG LYS 34 -7.418 10.782 12.012 271 HD2 LYS 34 1HD LYS 34 -8.764 10.781 10.026 272 HD3 LYS 34 2HD LYS 34 -9.981 9.766 10.799 273 HE2 LYS 34 1HE LYS 34 -10.341 11.596 12.456 274 HE3 LYS 34 2HE LYS 34 -9.261 12.606 11.498 275 HZ1 LYS 34 1HZ LYS 34 -11.813 11.406 10.571 276 HZ2 LYS 34 2HZ LYS 34 -10.769 12.328 9.613 277 HZ3 LYS 34 3HZ LYS 34 -11.552 13.037 10.930 278 H TRP 35 H TRP 35 -5.450 7.713 8.475 279 HA TRP 35 HA TRP 35 -4.522 5.736 7.918 280 HB2 TRP 35 1HB TRP 35 -3.348 6.109 10.672 281 HB3 TRP 35 2HB TRP 35 -2.798 4.873 9.529 282 HD1 TRP 35 HD1 TRP 35 -2.520 8.559 10.313 283 HE1 TRP 35 HE1 TRP 35 -0.838 9.656 8.703 284 HE3 TRP 35 HE3 TRP 35 -1.902 4.689 7.034 285 HZ2 TRP 35 HZ2 TRP 35 0.565 8.968 6.353 286 HZ3 TRP 35 HZ3 TRP 35 -0.379 4.989 5.131 287 HH2 TRP 35 HH2 TRP 35 0.833 7.075 4.794 288 H GLU 36 H GLU 36 -7.105 5.399 8.699 289 HA GLU 36 HA GLU 36 -7.021 2.778 10.025 290 HB2 GLU 36 1HB GLU 36 -9.191 4.871 10.111 291 HB3 GLU 36 2HB GLU 36 -9.407 3.218 10.665 292 HG2 GLU 36 1HG GLU 36 -7.650 3.547 12.324 293 HG3 GLU 36 2HG GLU 36 -7.441 5.202 11.761 294 H PHE 37 H PHE 37 -7.247 1.263 8.564 295 HA PHE 37 HA PHE 37 -8.955 1.800 6.221 296 HB2 PHE 37 1HB PHE 37 -6.551 -0.040 6.385 297 HB3 PHE 37 2HB PHE 37 -7.487 0.309 4.940 298 HD1 PHE 37 HD1 PHE 37 -5.137 1.697 7.399 299 HD2 PHE 37 HD2 PHE 37 -7.120 2.311 3.681 300 HE1 PHE 37 HE1 PHE 37 -3.663 3.608 6.928 301 HE2 PHE 37 HE2 PHE 37 -5.656 4.227 3.213 302 HZ PHE 37 HZ PHE 37 -3.924 4.879 4.836 303 HA PRO 38 HA PRO 38 -11.351 -1.504 8.333 304 HB2 PRO 38 1HB PRO 38 -13.113 -0.715 6.066 305 HB3 PRO 38 2HB PRO 38 -13.509 -0.992 7.774 306 HG2 PRO 38 1HG PRO 38 -13.385 1.481 6.845 307 HG3 PRO 38 2HG PRO 38 -12.696 1.086 8.430 308 HD2 PRO 38 1HD PRO 38 -11.285 1.497 5.814 309 HD3 PRO 38 2HD PRO 38 -10.831 2.055 7.443 310 H GLU 39 H GLU 39 -11.701 -3.578 7.787 311 HA GLU 39 HA GLU 39 -10.366 -4.497 5.387 312 HB2 GLU 39 1HB GLU 39 -9.893 -5.426 7.666 313 HB3 GLU 39 2HB GLU 39 -11.504 -6.124 7.659 314 HG2 GLU 39 1HG GLU 39 -10.916 -7.462 5.710 315 HG3 GLU 39 2HG GLU 39 -9.303 -6.751 5.707 316 H ASP 40 H ASP 40 -12.050 -3.712 3.976 317 HA ASP 40 HA ASP 40 -13.875 -5.839 3.335 318 HB2 ASP 40 1HB ASP 40 -15.923 -4.615 3.350 319 HB3 ASP 40 2HB ASP 40 -15.190 -4.393 4.931 320 H ASP 41 H ASP 41 -15.128 -5.216 1.260 321 HA ASP 41 HA ASP 41 -13.232 -5.122 -0.732 322 HB2 ASP 41 1HB ASP 41 -16.155 -4.384 -0.991 323 HB3 ASP 41 2HB ASP 41 -15.081 -4.780 -2.328 324 H THR 42 H THR 42 -15.245 -2.413 0.379 325 HA THR 42 HA THR 42 -14.712 -0.575 -1.615 326 HB THR 42 HB THR 42 -14.824 0.432 1.180 327 HG1 THR 42 HG1 THR 42 -16.270 -1.156 1.500 328 HG21 THR 42 1HG2 THR 42 -16.567 1.880 0.162 329 HG22 THR 42 2HG2 THR 42 -16.283 1.072 -1.380 330 HG23 THR 42 3HG2 THR 42 -14.995 2.013 -0.627 331 H THR 43 H THR 43 -13.034 -0.832 1.511 332 HA THR 43 HA THR 43 -11.049 1.074 0.991 333 HB THR 43 HB THR 43 -10.830 -1.319 2.817 334 HG1 THR 43 HG1 THR 43 -11.695 0.211 4.392 335 HG21 THR 43 1HG2 THR 43 -8.724 -0.174 2.572 336 HG22 THR 43 2HG2 THR 43 -9.405 0.234 4.150 337 HG23 THR 43 3HG2 THR 43 -9.498 1.389 2.821 338 H MET 44 H MET 44 -11.262 -2.343 0.265 339 HA MET 44 HA MET 44 -8.508 -2.813 -0.137 340 HB2 MET 44 1HB MET 44 -10.905 -4.285 -1.226 341 HB3 MET 44 2HB MET 44 -9.249 -4.878 -1.291 342 HG2 MET 44 1HG MET 44 -9.169 -4.859 1.160 343 HG3 MET 44 2HG MET 44 -10.838 -4.301 1.198 344 HE1 MET 44 1HE MET 44 -9.829 -6.860 2.793 345 HE2 MET 44 2HE MET 44 -11.199 -7.931 2.492 346 HE3 MET 44 3HE MET 44 -11.471 -6.214 2.806 347 H CYS 45 H CYS 45 -11.142 -2.174 -2.456 348 HA CYS 45 HA CYS 45 -9.403 -2.164 -4.704 349 HB2 CYS 45 1HB CYS 45 -12.191 -1.039 -4.367 350 HB3 CYS 45 2HB CYS 45 -11.326 -1.086 -5.898 351 H TYR 46 H TYR 46 -10.414 0.280 -2.423 352 HA TYR 46 HA TYR 46 -9.570 2.561 -3.790 353 HB2 TYR 46 1HB TYR 46 -10.813 2.946 -1.847 354 HB3 TYR 46 2HB TYR 46 -9.820 1.856 -0.880 355 HD1 TYR 46 HD1 TYR 46 -8.309 2.791 0.593 356 HD2 TYR 46 HD2 TYR 46 -9.504 5.050 -2.814 357 HE1 TYR 46 HE1 TYR 46 -7.001 4.705 1.410 358 HE2 TYR 46 HE2 TYR 46 -8.194 6.966 -2.001 359 HH TYR 46 HH TYR 46 -6.061 6.721 0.755 360 H ILE 47 H ILE 47 -7.811 0.517 -1.478 361 HA ILE 47 HA ILE 47 -5.343 1.807 -1.654 362 HB ILE 47 HB ILE 47 -6.000 -1.059 -1.005 363 HG12 ILE 47 1HG1 ILE 47 -6.912 0.554 0.579 364 HG13 ILE 47 2HG1 ILE 47 -5.585 -0.328 1.331 365 HG21 ILE 47 1HG2 ILE 47 -3.720 -1.001 -1.780 366 HG22 ILE 47 2HG2 ILE 47 -3.732 -1.191 -0.026 367 HG23 ILE 47 3HG2 ILE 47 -3.365 0.379 -0.739 368 HD11 ILE 47 1HD1 ILE 47 -4.115 1.630 0.785 369 HD12 ILE 47 2HD1 ILE 47 -5.386 1.941 1.963 370 HD13 ILE 47 3HD1 ILE 47 -5.575 2.497 0.301 371 H LYS 48 H LYS 48 -6.754 -0.783 -3.561 372 HA LYS 48 HA LYS 48 -4.566 -1.559 -5.077 373 HB2 LYS 48 1HB LYS 48 -6.789 -2.675 -5.044 374 HB3 LYS 48 2HB LYS 48 -7.440 -1.341 -5.984 375 HG2 LYS 48 1HG LYS 48 -5.561 -1.954 -7.671 376 HG3 LYS 48 2HG LYS 48 -5.558 -3.497 -6.811 377 HD2 LYS 48 1HD LYS 48 -7.892 -3.830 -7.288 378 HD3 LYS 48 2HD LYS 48 -8.016 -2.222 -8.001 379 HE2 LYS 48 1HE LYS 48 -6.318 -4.477 -9.050 380 HE3 LYS 48 2HE LYS 48 -7.881 -3.991 -9.699 381 HZ1 LYS 48 1HZ LYS 48 -5.525 -2.196 -9.564 382 HZ2 LYS 48 2HZ LYS 48 -6.982 -1.908 -10.366 383 HZ3 LYS 48 3HZ LYS 48 -5.930 -3.117 -10.923 384 H CYS 49 H CYS 49 -7.081 0.815 -5.899 385 HA CYS 49 HA CYS 49 -6.000 1.691 -8.302 386 HB2 CYS 49 1HB CYS 49 -8.243 2.225 -7.808 387 HB3 CYS 49 2HB CYS 49 -7.819 3.037 -6.303 388 H VAL 50 H VAL 50 -5.520 2.999 -5.023 389 HA VAL 50 HA VAL 50 -4.027 5.241 -5.771 390 HB VAL 50 HB VAL 50 -4.103 3.710 -3.177 391 HG11 VAL 50 1HG1 VAL 50 -2.019 4.926 -3.270 392 HG12 VAL 50 2HG1 VAL 50 -3.125 5.738 -2.162 393 HG13 VAL 50 3HG1 VAL 50 -2.859 6.391 -3.780 394 HG21 VAL 50 1HG2 VAL 50 -6.213 4.674 -3.739 395 HG22 VAL 50 2HG2 VAL 50 -5.453 6.216 -4.130 396 HG23 VAL 50 3HG2 VAL 50 -5.479 5.645 -2.461 397 H PHE 51 H PHE 51 -3.044 2.013 -4.743 398 HA PHE 51 HA PHE 51 -0.275 2.534 -4.713 399 HB2 PHE 51 1HB PHE 51 -2.019 0.132 -4.540 400 HB3 PHE 51 2HB PHE 51 -0.328 -0.135 -4.959 401 HD1 PHE 51 HD1 PHE 51 -1.485 2.573 -2.745 402 HD2 PHE 51 HD2 PHE 51 0.229 -1.316 -2.968 403 HE1 PHE 51 HE1 PHE 51 -0.924 2.686 -0.354 404 HE2 PHE 51 HE2 PHE 51 0.792 -1.207 -0.579 405 HZ PHE 51 HZ PHE 51 0.218 0.796 0.733 406 H ASN 52 H ASN 52 -2.511 1.730 -7.201 407 HA ASN 52 HA ASN 52 -0.530 0.803 -9.078 408 HB2 ASN 52 1HB ASN 52 -2.853 -0.022 -9.143 409 HB3 ASN 52 2HB ASN 52 -3.419 1.612 -9.507 410 HD21 ASN 52 1HD2 ASN 52 -0.496 0.170 -10.840 411 HD22 ASN 52 2HD2 ASN 52 -1.071 0.091 -12.467 412 H LYS 53 H LYS 53 -2.355 3.760 -8.479 413 HA LYS 53 HA LYS 53 -1.463 5.181 -10.752 414 HB2 LYS 53 1HB LYS 53 -2.722 5.925 -8.151 415 HB3 LYS 53 2HB LYS 53 -2.060 7.197 -9.169 416 HG2 LYS 53 1HG LYS 53 -3.570 6.624 -10.952 417 HG3 LYS 53 2HG LYS 53 -4.123 5.191 -10.079 418 HD2 LYS 53 1HD LYS 53 -5.143 6.539 -8.380 419 HD3 LYS 53 2HD LYS 53 -4.434 8.010 -9.050 420 HE2 LYS 53 1HE LYS 53 -6.329 6.267 -10.603 421 HE3 LYS 53 2HE LYS 53 -6.880 7.587 -9.571 422 HZ1 LYS 53 1HZ LYS 53 -5.537 9.119 -10.882 423 HZ2 LYS 53 2HZ LYS 53 -6.662 8.307 -11.856 424 HZ3 LYS 53 3HZ LYS 53 -5.035 7.847 -11.885 425 H MET 54 H MET 54 -0.056 4.632 -7.606 426 HA MET 54 HA MET 54 1.987 6.646 -8.060 427 HB2 MET 54 1HB MET 54 1.315 4.838 -5.767 428 HB3 MET 54 2HB MET 54 2.867 5.670 -5.826 429 HG2 MET 54 1HG MET 54 1.586 7.809 -6.082 430 HG3 MET 54 2HG MET 54 0.123 6.881 -5.762 431 HE1 MET 54 1HE MET 54 -0.129 5.376 -3.568 432 HE2 MET 54 2HE MET 54 0.894 5.531 -2.143 433 HE3 MET 54 3HE MET 54 1.522 4.756 -3.597 434 H GLN 55 H GLN 55 1.570 3.833 -9.416 435 HA GLN 55 HA GLN 55 2.791 2.165 -10.265 436 HB2 GLN 55 1HB GLN 55 4.652 4.473 -10.248 437 HB3 GLN 55 2HB GLN 55 5.288 2.892 -10.710 438 HG2 GLN 55 1HG GLN 55 2.997 4.372 -11.972 439 HG3 GLN 55 2HG GLN 55 4.599 4.131 -12.657 440 HE21 GLN 55 1HE2 GLN 55 5.185 2.056 -13.371 441 HE22 GLN 55 2HE2 GLN 55 3.992 0.862 -13.744 442 H LEU 56 H LEU 56 2.410 1.730 -7.671 443 HA LEU 56 HA LEU 56 4.994 0.770 -6.690 444 HB2 LEU 56 1HB LEU 56 2.810 2.231 -5.382 445 HB3 LEU 56 2HB LEU 56 3.399 0.851 -4.445 446 HG LEU 56 HG LEU 56 5.065 3.150 -5.479 447 HD11 LEU 56 1HD1 LEU 56 3.578 3.884 -3.712 448 HD12 LEU 56 2HD1 LEU 56 5.230 3.789 -3.105 449 HD13 LEU 56 3HD1 LEU 56 4.070 2.526 -2.700 450 HD21 LEU 56 1HD2 LEU 56 6.795 2.216 -3.972 451 HD22 LEU 56 2HD2 LEU 56 6.404 1.159 -5.329 452 HD23 LEU 56 3HD2 LEU 56 5.763 0.807 -3.724 453 H PHE 57 H PHE 57 1.903 -0.021 -7.745 454 HA PHE 57 HA PHE 57 2.333 -2.839 -7.132 455 HB2 PHE 57 1HB PHE 57 0.806 -2.195 -5.369 456 HB3 PHE 57 2HB PHE 57 -0.202 -1.302 -6.496 457 HD1 PHE 57 HD1 PHE 57 0.823 -4.679 -5.435 458 HD2 PHE 57 HD2 PHE 57 -1.899 -2.368 -7.755 459 HE1 PHE 57 HE1 PHE 57 -0.596 -6.665 -5.747 460 HE2 PHE 57 HE2 PHE 57 -3.320 -4.350 -8.069 461 HZ PHE 57 HZ PHE 57 -2.670 -6.498 -7.064 462 H ASP 58 H ASP 58 1.685 -4.167 -8.738 463 HA ASP 58 HA ASP 58 0.384 -2.947 -11.083 464 HB2 ASP 58 1HB ASP 58 2.743 -3.305 -11.565 465 HB3 ASP 58 2HB ASP 58 2.640 -4.968 -11.004 466 H ASP 59 H ASP 59 -1.126 -4.199 -12.159 467 HA ASP 59 HA ASP 59 -2.629 -5.969 -10.544 468 HB2 ASP 59 1HB ASP 59 -2.806 -5.246 -13.456 469 HB3 ASP 59 2HB ASP 59 -3.900 -6.388 -12.713 470 H THR 60 H THR 60 -0.003 -6.544 -12.640 471 HA THR 60 HA THR 60 -0.663 -9.395 -12.823 472 HB THR 60 HB THR 60 1.205 -7.654 -14.407 473 HG1 THR 60 HG1 THR 60 -1.238 -8.990 -14.876 474 HG21 THR 60 1HG2 THR 60 0.881 -10.650 -14.589 475 HG22 THR 60 2HG2 THR 60 2.312 -9.792 -14.014 476 HG23 THR 60 3HG2 THR 60 1.812 -9.640 -15.698 477 H GLU 61 H GLU 61 2.294 -7.396 -12.413 478 HA GLU 61 HA GLU 61 3.736 -9.582 -11.259 479 HB2 GLU 61 1HB GLU 61 4.574 -6.701 -11.113 480 HB3 GLU 61 2HB GLU 61 5.574 -8.142 -11.147 481 HG2 GLU 61 1HG GLU 61 4.826 -8.557 -13.464 482 HG3 GLU 61 2HG GLU 61 3.978 -7.015 -13.421 483 H GLY 62 H GLY 62 1.528 -7.377 -9.956 484 HA2 GLY 62 1HA GLY 62 0.813 -7.155 -7.763 485 HA3 GLY 62 2HA GLY 62 2.070 -8.303 -7.292 486 HA PRO 63 HA PRO 63 3.405 -4.388 -5.324 487 HB2 PRO 63 1HB PRO 63 5.088 -6.381 -3.909 488 HB3 PRO 63 2HB PRO 63 4.072 -5.091 -3.252 489 HG2 PRO 63 1HG PRO 63 3.345 -7.670 -3.096 490 HG3 PRO 63 2HG PRO 63 2.159 -6.373 -3.329 491 HD2 PRO 63 1HD PRO 63 3.255 -8.326 -5.308 492 HD3 PRO 63 2HD PRO 63 1.616 -7.637 -5.182 493 H LEU 64 H LEU 64 4.906 -3.216 -6.297 494 HA LEU 64 HA LEU 64 7.059 -4.503 -7.769 495 HB2 LEU 64 1HB LEU 64 6.497 -1.547 -7.515 496 HB3 LEU 64 2HB LEU 64 7.489 -2.344 -8.718 497 HG LEU 64 HG LEU 64 4.501 -2.649 -8.474 498 HD11 LEU 64 1HD1 LEU 64 5.130 -0.446 -9.301 499 HD12 LEU 64 2HD1 LEU 64 4.427 -1.424 -10.589 500 HD13 LEU 64 3HD1 LEU 64 6.173 -1.189 -10.514 501 HD21 LEU 64 1HD2 LEU 64 5.613 -4.666 -9.275 502 HD22 LEU 64 2HD2 LEU 64 6.427 -3.719 -10.520 503 HD23 LEU 64 3HD2 LEU 64 4.672 -3.892 -10.551 504 H VAL 65 H VAL 65 8.446 -5.271 -6.327 505 HA VAL 65 HA VAL 65 9.034 -4.336 -3.826 506 HB VAL 65 HB VAL 65 10.775 -5.955 -5.664 507 HG11 VAL 65 1HG1 VAL 65 11.933 -6.699 -3.629 508 HG12 VAL 65 2HG1 VAL 65 11.009 -5.528 -2.687 509 HG13 VAL 65 3HG1 VAL 65 12.143 -4.972 -3.919 510 HG21 VAL 65 1HG2 VAL 65 8.668 -7.011 -5.236 511 HG22 VAL 65 2HG2 VAL 65 8.810 -6.695 -3.508 512 HG23 VAL 65 3HG2 VAL 65 9.908 -7.834 -4.290 513 H ASP 66 H ASP 66 10.834 -3.604 -6.827 514 HA ASP 66 HA ASP 66 12.960 -2.284 -5.564 515 HB2 ASP 66 1HB ASP 66 13.093 -3.001 -7.876 516 HB3 ASP 66 2HB ASP 66 11.855 -1.838 -8.335 517 H ASN 67 H ASN 67 10.098 -0.844 -7.168 518 HA ASN 67 HA ASN 67 10.626 1.796 -6.387 519 HB2 ASN 67 1HB ASN 67 8.055 0.405 -7.110 520 HB3 ASN 67 2HB ASN 67 8.117 2.112 -6.702 521 HD21 ASN 67 1HD2 ASN 67 7.385 2.652 -8.769 522 HD22 ASN 67 2HD2 ASN 67 8.433 2.582 -10.147 523 H LEU 68 H LEU 68 9.037 -0.843 -4.764 524 HA LEU 68 HA LEU 68 7.884 0.553 -2.633 525 HB2 LEU 68 1HB LEU 68 8.759 -2.270 -3.062 526 HB3 LEU 68 2HB LEU 68 8.278 -1.751 -1.454 527 HG LEU 68 HG LEU 68 6.514 -1.366 -3.859 528 HD11 LEU 68 1HD1 LEU 68 6.529 -3.678 -1.922 529 HD12 LEU 68 2HD1 LEU 68 7.000 -3.750 -3.620 530 HD13 LEU 68 3HD1 LEU 68 5.331 -3.386 -3.184 531 HD21 LEU 68 1HD2 LEU 68 5.970 -1.439 -0.900 532 HD22 LEU 68 2HD2 LEU 68 4.765 -1.212 -2.167 533 HD23 LEU 68 3HD2 LEU 68 6.016 0.002 -1.912 534 H VAL 69 H VAL 69 11.063 -0.994 -2.903 535 HA VAL 69 HA VAL 69 11.956 -0.236 -0.317 536 HB VAL 69 HB VAL 69 13.551 -0.964 -2.763 537 HG11 VAL 69 1HG1 VAL 69 15.314 -1.539 -1.109 538 HG12 VAL 69 2HG1 VAL 69 14.323 -0.781 0.140 539 HG13 VAL 69 3HG1 VAL 69 14.956 0.185 -1.192 540 HG21 VAL 69 1HG2 VAL 69 12.711 -2.672 -0.433 541 HG22 VAL 69 2HG2 VAL 69 13.623 -3.188 -1.853 542 HG23 VAL 69 3HG2 VAL 69 11.944 -2.681 -2.022 543 H HIS 70 H HIS 70 12.337 1.185 -3.539 544 HA HIS 70 HA HIS 70 14.166 3.198 -2.786 545 HB2 HIS 70 1HB HIS 70 12.254 2.928 -5.090 546 HB3 HIS 70 2HB HIS 70 13.203 4.393 -4.869 547 HD1 HIS 70 HD1 HIS 70 15.297 4.385 -6.160 548 HD2 HIS 70 HD2 HIS 70 14.150 0.536 -5.120 549 HE1 HIS 70 HE1 HIS 70 16.989 2.866 -7.227 550 HE2 HIS 70 HE2 HIS 70 16.140 0.542 -6.759 551 H GLN 71 H GLN 71 10.728 2.947 -2.470 552 HA GLN 71 HA GLN 71 10.434 5.755 -1.782 553 HB2 GLN 71 1HB GLN 71 8.672 4.642 -3.083 554 HB3 GLN 71 2HB GLN 71 8.414 3.507 -1.771 555 HG2 GLN 71 1HG GLN 71 6.707 5.227 -1.793 556 HG3 GLN 71 2HG GLN 71 7.675 5.295 -0.324 557 HE21 GLN 71 1HE2 GLN 71 6.016 7.327 -1.632 558 HE22 GLN 71 2HE2 GLN 71 7.056 8.677 -1.898 559 H LEU 72 H LEU 72 9.677 2.666 -0.180 560 HA LEU 72 HA LEU 72 9.052 3.804 2.286 561 HB2 LEU 72 1HB LEU 72 9.898 1.011 1.573 562 HB3 LEU 72 2HB LEU 72 9.409 1.472 3.190 563 HG LEU 72 HG LEU 72 7.660 1.713 0.741 564 HD11 LEU 72 1HD1 LEU 72 6.451 -0.212 1.686 565 HD12 LEU 72 2HD1 LEU 72 7.676 -0.350 2.948 566 HD13 LEU 72 3HD1 LEU 72 8.114 -0.626 1.262 567 HD21 LEU 72 1HD2 LEU 72 7.108 2.103 3.680 568 HD22 LEU 72 2HD2 LEU 72 5.858 1.971 2.443 569 HD23 LEU 72 3HD2 LEU 72 7.000 3.313 2.398 570 H ALA 73 H ALA 73 12.115 2.428 1.134 571 HA ALA 73 HA ALA 73 13.449 2.743 3.637 572 HB1 ALA 73 1HB ALA 73 14.056 1.060 1.937 573 HB2 ALA 73 2HB ALA 73 15.420 2.040 2.485 574 HB3 ALA 73 3HB ALA 73 14.672 2.365 0.920 575 H HIS 74 H HIS 74 12.205 5.152 2.742 576 HA HIS 74 HA HIS 74 14.009 7.029 1.661 577 HB2 HIS 74 1HB HIS 74 11.444 7.165 1.976 578 HB3 HIS 74 2HB HIS 74 11.818 7.689 3.612 579 HD1 HIS 74 HD1 HIS 74 10.679 9.190 0.804 580 HD2 HIS 74 HD2 HIS 74 14.056 9.925 3.110 581 HE1 HIS 74 HE1 HIS 74 11.308 11.576 0.336 582 HE2 HIS 74 HE2 HIS 74 13.206 12.057 1.920 583 H GLY 75 H GLY 75 16.006 6.747 2.736 584 HA2 GLY 75 1HA GLY 75 17.544 7.664 4.229 585 HA3 GLY 75 2HA GLY 75 16.207 8.260 5.202 586 H ARG 76 H ARG 76 16.382 4.928 4.185 587 HA ARG 76 HA ARG 76 17.360 4.116 6.802 588 HB2 ARG 76 1HB ARG 76 14.579 3.776 5.855 589 HB3 ARG 76 2HB ARG 76 15.292 2.404 6.701 590 HG2 ARG 76 1HG ARG 76 15.878 3.999 8.550 591 HG3 ARG 76 2HG ARG 76 14.902 5.210 7.721 592 HD2 ARG 76 1HD ARG 76 12.965 3.740 7.868 593 HD3 ARG 76 2HD ARG 76 13.937 2.536 8.708 594 HE ARG 76 HE ARG 76 13.987 5.074 10.014 595 HH11 ARG 76 1HH1 ARG 76 12.130 2.130 9.634 596 HH12 ARG 76 2HH1 ARG 76 11.276 2.331 11.130 597 HH21 ARG 76 1HH2 ARG 76 12.877 5.336 11.983 598 HH22 ARG 76 2HH2 ARG 76 11.710 4.150 12.473 599 H ASP 77 H ASP 77 17.497 1.639 6.905 600 HA ASP 77 HA ASP 77 19.194 0.730 4.890 601 HB2 ASP 77 1HB ASP 77 17.657 -0.842 6.956 602 HB3 ASP 77 2HB ASP 77 18.958 -1.494 5.968 603 H ALA 78 H ALA 78 18.551 0.553 2.877 604 HA ALA 78 HA ALA 78 16.025 -0.119 1.914 605 HB1 ALA 78 1HB ALA 78 17.116 -0.436 -0.227 606 HB2 ALA 78 2HB ALA 78 18.688 -0.510 0.570 607 HB3 ALA 78 3HB ALA 78 17.755 0.986 0.595 608 H GLU 79 H GLU 79 18.805 -2.164 2.645 609 HA GLU 79 HA GLU 79 17.870 -4.550 1.514 610 HB2 GLU 79 1HB GLU 79 19.725 -4.032 3.825 611 HB3 GLU 79 2HB GLU 79 19.364 -5.652 3.251 612 HG2 GLU 79 1HG GLU 79 20.159 -4.897 0.984 613 HG3 GLU 79 2HG GLU 79 20.756 -3.441 1.782 614 H GLU 80 H GLU 80 17.493 -3.273 4.796 615 HA GLU 80 HA GLU 80 16.059 -5.473 5.828 616 HB2 GLU 80 1HB GLU 80 15.999 -2.578 6.679 617 HB3 GLU 80 2HB GLU 80 15.427 -3.940 7.633 618 HG2 GLU 80 1HG GLU 80 18.260 -3.496 6.742 619 HG3 GLU 80 2HG GLU 80 17.629 -3.159 8.345 620 H VAL 81 H VAL 81 15.068 -2.386 4.424 621 HA VAL 81 HA VAL 81 12.308 -2.639 4.682 622 HB VAL 81 HB VAL 81 13.961 -1.215 2.604 623 HG11 VAL 81 1HG1 VAL 81 11.752 -1.596 1.675 624 HG12 VAL 81 2HG1 VAL 81 11.934 0.101 2.130 625 HG13 VAL 81 3HG1 VAL 81 11.005 -0.997 3.157 626 HG21 VAL 81 1HG2 VAL 81 12.574 -0.324 5.112 627 HG22 VAL 81 2HG2 VAL 81 13.352 0.751 3.954 628 HG23 VAL 81 3HG2 VAL 81 14.312 -0.432 4.837 629 H ARG 82 H ARG 82 14.406 -3.577 1.945 630 HA ARG 82 HA ARG 82 12.470 -4.657 0.274 631 HB2 ARG 82 1HB ARG 82 14.878 -4.269 -0.276 632 HB3 ARG 82 2HB ARG 82 15.270 -5.720 0.636 633 HG2 ARG 82 1HG ARG 82 13.798 -7.008 -0.860 634 HG3 ARG 82 2HG ARG 82 13.554 -5.551 -1.817 635 HD2 ARG 82 1HD ARG 82 16.016 -5.439 -2.140 636 HD3 ARG 82 2HD ARG 82 16.142 -7.001 -1.335 637 HE ARG 82 HE ARG 82 14.299 -7.133 -3.481 638 HH11 ARG 82 1HH1 ARG 82 17.726 -6.994 -2.798 639 HH12 ARG 82 2HH1 ARG 82 18.179 -7.845 -4.242 640 HH21 ARG 82 1HH2 ARG 82 14.887 -8.240 -5.392 641 HH22 ARG 82 2HH2 ARG 82 16.560 -8.558 -5.717 642 H THR 83 H THR 83 14.290 -6.173 2.891 643 HA THR 83 HA THR 83 13.430 -8.814 2.482 644 HB THR 83 HB THR 83 14.336 -7.405 5.000 645 HG1 THR 83 HG1 THR 83 16.095 -7.434 3.777 646 HG21 THR 83 1HG2 THR 83 14.832 -9.635 5.885 647 HG22 THR 83 2HG2 THR 83 14.114 -10.368 4.450 648 HG23 THR 83 3HG2 THR 83 13.109 -9.443 5.567 649 H GLU 84 H GLU 84 12.231 -6.310 4.727 650 HA GLU 84 HA GLU 84 10.153 -7.877 5.793 651 HB2 GLU 84 1HB GLU 84 10.395 -4.870 5.655 652 HB3 GLU 84 2HB GLU 84 9.270 -5.761 6.674 653 HG2 GLU 84 1HG GLU 84 11.174 -6.826 7.801 654 HG3 GLU 84 2HG GLU 84 12.272 -5.850 6.830 655 H VAL 85 H VAL 85 10.199 -5.598 3.063 656 HA VAL 85 HA VAL 85 7.485 -5.644 2.420 657 HB VAL 85 HB VAL 85 9.948 -5.360 0.705 658 HG11 VAL 85 1HG1 VAL 85 7.078 -5.164 -0.203 659 HG12 VAL 85 2HG1 VAL 85 8.240 -6.398 -0.688 660 HG13 VAL 85 3HG1 VAL 85 8.491 -4.715 -1.160 661 HG21 VAL 85 1HG2 VAL 85 7.788 -3.435 1.551 662 HG22 VAL 85 2HG2 VAL 85 9.162 -3.045 0.513 663 HG23 VAL 85 3HG2 VAL 85 9.430 -3.518 2.191 664 H LEU 86 H LEU 86 10.099 -7.813 1.368 665 HA LEU 86 HA LEU 86 8.617 -9.375 -0.398 666 HB2 LEU 86 1HB LEU 86 11.082 -9.997 1.220 667 HB3 LEU 86 2HB LEU 86 10.416 -11.090 0.009 668 HG LEU 86 HG LEU 86 11.263 -8.269 -0.607 669 HD11 LEU 86 1HD1 LEU 86 13.179 -9.511 0.222 670 HD12 LEU 86 2HD1 LEU 86 13.311 -9.253 -1.520 671 HD13 LEU 86 3HD1 LEU 86 12.824 -10.828 -0.893 672 HD21 LEU 86 1HD2 LEU 86 10.650 -10.677 -2.305 673 HD22 LEU 86 2HD2 LEU 86 11.330 -9.168 -2.913 674 HD23 LEU 86 3HD2 LEU 86 9.717 -9.186 -2.202 675 H LYS 87 H LYS 87 8.889 -9.526 3.081 676 HA LYS 87 HA LYS 87 7.778 -12.131 3.410 677 HB2 LYS 87 1HB LYS 87 7.979 -9.766 5.276 678 HB3 LYS 87 2HB LYS 87 7.290 -11.310 5.759 679 HG2 LYS 87 1HG LYS 87 9.404 -12.416 5.298 680 HG3 LYS 87 2HG LYS 87 10.104 -10.871 4.778 681 HD2 LYS 87 1HD LYS 87 9.728 -9.959 7.014 682 HD3 LYS 87 2HD LYS 87 9.032 -11.495 7.528 683 HE2 LYS 87 1HE LYS 87 11.853 -11.060 6.567 684 HE3 LYS 87 2HE LYS 87 11.354 -11.283 8.243 685 HZ1 LYS 87 1HZ LYS 87 12.200 -13.332 7.327 686 HZ2 LYS 87 2HZ LYS 87 11.080 -13.279 6.061 687 HZ3 LYS 87 3HZ LYS 87 10.548 -13.494 7.652 688 H CYS 88 H CYS 88 6.479 -9.119 2.576 689 HA CYS 88 HA CYS 88 3.770 -9.918 3.355 690 HB2 CYS 88 1HB CYS 88 5.066 -7.280 2.781 691 HB3 CYS 88 2HB CYS 88 3.311 -7.442 2.680 692 H VAL 89 H VAL 89 5.824 -10.040 0.769 693 HA VAL 89 HA VAL 89 3.846 -9.553 -1.289 694 HB VAL 89 HB VAL 89 6.670 -10.597 -1.504 695 HG11 VAL 89 1HG1 VAL 89 5.377 -11.335 -3.388 696 HG12 VAL 89 2HG1 VAL 89 6.416 -10.006 -3.905 697 HG13 VAL 89 3HG1 VAL 89 4.702 -9.721 -3.604 698 HG21 VAL 89 1HG2 VAL 89 6.637 -8.319 -0.693 699 HG22 VAL 89 2HG2 VAL 89 5.544 -7.846 -1.994 700 HG23 VAL 89 3HG2 VAL 89 7.192 -8.352 -2.367 701 H ASP 90 H ASP 90 2.313 -11.055 -1.417 702 HA ASP 90 HA ASP 90 3.142 -13.875 -1.578 703 HB2 ASP 90 1HB ASP 90 0.433 -12.749 -0.834 704 HB3 ASP 90 2HB ASP 90 0.806 -14.464 -0.986 705 H LYS 91 H LYS 91 1.677 -15.181 -3.046 706 HA LYS 91 HA LYS 91 1.444 -13.859 -5.608 707 HB2 LYS 91 1HB LYS 91 0.521 -16.655 -4.978 708 HB3 LYS 91 2HB LYS 91 1.023 -15.985 -6.522 709 HG2 LYS 91 1HG LYS 91 3.315 -15.782 -5.640 710 HG3 LYS 91 2HG LYS 91 2.778 -16.604 -4.177 711 HD2 LYS 91 1HD LYS 91 3.835 -18.183 -5.696 712 HD3 LYS 91 2HD LYS 91 2.117 -18.549 -5.524 713 HE2 LYS 91 1HE LYS 91 1.661 -17.415 -7.638 714 HE3 LYS 91 2HE LYS 91 3.368 -17.017 -7.802 715 HZ1 LYS 91 1HZ LYS 91 3.845 -19.405 -7.872 716 HZ2 LYS 91 2HZ LYS 91 2.826 -18.925 -9.132 717 HZ3 LYS 91 3HZ LYS 91 2.189 -19.742 -7.795 718 H ASN 92 H ASN 92 -0.492 -13.978 -6.909 719 HA ASN 92 HA ASN 92 -2.824 -13.155 -5.421 720 HB2 ASN 92 1HB ASN 92 -2.116 -12.060 -7.553 721 HB3 ASN 92 2HB ASN 92 -2.500 -13.553 -8.397 722 HD21 ASN 92 1HD2 ASN 92 -3.928 -12.246 -9.655 723 HD22 ASN 92 2HD2 ASN 92 -5.513 -11.865 -9.066 724 H THR 93 H THR 93 -2.866 -15.340 -4.370 725 HA THR 93 HA THR 93 -4.035 -17.482 -5.924 726 HB THR 93 HB THR 93 -4.221 -18.609 -3.692 727 HG1 THR 93 HG1 THR 93 -3.085 -17.507 -1.955 728 HG21 THR 93 1HG2 THR 93 -1.808 -18.888 -3.381 729 HG22 THR 93 2HG2 THR 93 -1.522 -17.474 -4.396 730 HG23 THR 93 3HG2 THR 93 -2.255 -18.922 -5.086 731 H ASP 94 H ASP 94 -5.127 -14.736 -4.282 732 HA ASP 94 HA ASP 94 -7.733 -15.731 -3.583 733 HB2 ASP 94 1HB ASP 94 -6.586 -12.934 -3.650 734 HB3 ASP 94 2HB ASP 94 -8.222 -13.317 -3.096 735 H ASN 95 H ASN 95 -6.233 -14.437 -6.331 736 HA ASN 95 HA ASN 95 -6.897 -14.038 -8.439 737 HB2 ASN 95 1HB ASN 95 -9.368 -15.510 -7.537 738 HB3 ASN 95 2HB ASN 95 -9.042 -15.056 -9.201 739 HD21 ASN 95 1HD2 ASN 95 -9.335 -17.680 -7.895 740 HD22 ASN 95 2HD2 ASN 95 -7.886 -18.551 -8.292 741 H ASN 96 H ASN 96 -7.533 -12.176 -6.209 742 HA ASN 96 HA ASN 96 -9.265 -10.431 -7.781 743 HB2 ASN 96 1HB ASN 96 -10.791 -11.216 -6.119 744 HB3 ASN 96 2HB ASN 96 -9.595 -11.040 -4.837 745 HD21 ASN 96 1HD2 ASN 96 -11.788 -9.368 -6.973 746 HD22 ASN 96 2HD2 ASN 96 -11.809 -7.878 -6.094 747 H ALA 97 H ALA 97 -8.294 -8.552 -8.117 748 HA ALA 97 HA ALA 97 -5.649 -8.206 -7.138 749 HB1 ALA 97 1HB ALA 97 -7.297 -6.289 -8.766 750 HB2 ALA 97 2HB ALA 97 -6.342 -7.616 -9.422 751 HB3 ALA 97 3HB ALA 97 -5.544 -6.286 -8.581 752 H CYS 98 H CYS 98 -8.745 -6.702 -6.323 753 HA CYS 98 HA CYS 98 -7.692 -4.530 -4.852 754 HB2 CYS 98 1HB CYS 98 -10.301 -5.994 -4.385 755 HB3 CYS 98 2HB CYS 98 -9.866 -4.433 -3.707 756 H HIS 99 H HIS 99 -8.486 -7.861 -3.868 757 HA HIS 99 HA HIS 99 -7.869 -7.338 -1.110 758 HB2 HIS 99 1HB HIS 99 -9.452 -9.140 -1.938 759 HB3 HIS 99 2HB HIS 99 -8.031 -10.048 -2.438 760 HD1 HIS 99 HD1 HIS 99 -8.091 -11.960 -0.788 761 HD2 HIS 99 HD2 HIS 99 -8.424 -8.241 1.056 762 HE1 HIS 99 HE1 HIS 99 -7.958 -12.409 1.677 763 HE2 HIS 99 HE2 HIS 99 -8.176 -10.156 2.778 764 H TRP 100 H TRP 100 -6.128 -8.409 -3.903 765 HA TRP 100 HA TRP 100 -3.899 -9.555 -2.591 766 HB2 TRP 100 1HB TRP 100 -4.476 -9.897 -4.997 767 HB3 TRP 100 2HB TRP 100 -3.962 -8.240 -5.322 768 HD1 TRP 100 HD1 TRP 100 -1.712 -9.921 -2.864 769 HE1 TRP 100 HE1 TRP 100 0.461 -10.663 -4.021 770 HE3 TRP 100 HE3 TRP 100 -3.102 -9.241 -7.739 771 HZ2 TRP 100 HZ2 TRP 100 1.453 -10.944 -6.645 772 HZ3 TRP 100 HZ3 TRP 100 -1.486 -9.767 -9.505 773 HH2 TRP 100 HH2 TRP 100 0.741 -10.607 -8.982 774 H ALA 101 H ALA 101 -4.316 -6.360 -4.112 775 HA ALA 101 HA ALA 101 -1.875 -5.259 -3.271 776 HB1 ALA 101 1HB ALA 101 -3.197 -4.279 -5.057 777 HB2 ALA 101 2HB ALA 101 -2.912 -3.088 -3.785 778 HB3 ALA 101 3HB ALA 101 -4.480 -3.883 -3.914 779 H PHE 102 H PHE 102 -5.072 -5.300 -1.811 780 HA PHE 102 HA PHE 102 -4.506 -3.545 0.302 781 HB2 PHE 102 1HB PHE 102 -6.780 -4.044 -0.372 782 HB3 PHE 102 2HB PHE 102 -6.587 -5.723 0.121 783 HD1 PHE 102 HD1 PHE 102 -6.417 -2.253 1.451 784 HD2 PHE 102 HD2 PHE 102 -7.240 -6.351 2.267 785 HE1 PHE 102 HE1 PHE 102 -7.203 -1.647 3.702 786 HE2 PHE 102 HE2 PHE 102 -8.029 -5.749 4.514 787 HZ PHE 102 HZ PHE 102 -8.011 -3.394 5.238 788 H ARG 103 H ARG 103 -4.007 -6.991 -0.121 789 HA ARG 103 HA ARG 103 -3.548 -7.556 2.638 790 HB2 ARG 103 1HB ARG 103 -4.197 -9.297 0.991 791 HB3 ARG 103 2HB ARG 103 -2.611 -9.128 0.249 792 HG2 ARG 103 1HG ARG 103 -1.520 -9.862 2.242 793 HG3 ARG 103 2HG ARG 103 -3.044 -9.875 3.119 794 HD2 ARG 103 1HD ARG 103 -2.364 -12.125 2.461 795 HD3 ARG 103 2HD ARG 103 -3.867 -11.650 1.684 796 HE ARG 103 HE ARG 103 -1.389 -11.287 0.185 797 HH11 ARG 103 1HH1 ARG 103 -4.312 -13.085 0.761 798 HH12 ARG 103 2HH1 ARG 103 -4.307 -13.884 -0.781 799 HH21 ARG 103 1HH2 ARG 103 -1.328 -12.367 -1.853 800 HH22 ARG 103 2HH2 ARG 103 -2.567 -13.512 -2.246 801 H GLY 104 H GLY 104 -1.482 -6.766 -0.120 802 HA2 GLY 104 1HA GLY 104 1.005 -7.125 1.164 803 HA3 GLY 104 2HA GLY 104 0.705 -6.041 -0.200 804 H PHE 105 H PHE 105 -1.115 -4.308 0.910 805 HA PHE 105 HA PHE 105 0.573 -2.538 2.311 806 HB2 PHE 105 1HB PHE 105 -1.070 -1.614 0.872 807 HB3 PHE 105 2HB PHE 105 -2.362 -2.492 1.677 808 HD1 PHE 105 HD1 PHE 105 -3.799 -0.952 2.648 809 HD2 PHE 105 HD2 PHE 105 0.408 -0.351 2.952 810 HE1 PHE 105 HE1 PHE 105 -4.186 1.003 4.082 811 HE2 PHE 105 HE2 PHE 105 0.019 1.610 4.385 812 HZ PHE 105 HZ PHE 105 -2.276 2.288 4.953 813 H LYS 106 H LYS 106 -2.219 -4.462 3.291 814 HA LYS 106 HA LYS 106 -2.392 -3.514 5.923 815 HB2 LYS 106 1HB LYS 106 -4.327 -4.537 5.284 816 HB3 LYS 106 2HB LYS 106 -3.509 -5.843 4.437 817 HG2 LYS 106 1HG LYS 106 -2.942 -6.835 6.634 818 HG3 LYS 106 2HG LYS 106 -3.861 -5.541 7.411 819 HD2 LYS 106 1HD LYS 106 -5.882 -6.258 6.276 820 HD3 LYS 106 2HD LYS 106 -4.980 -7.502 5.408 821 HE2 LYS 106 1HE LYS 106 -5.260 -7.365 8.405 822 HE3 LYS 106 2HE LYS 106 -6.265 -8.359 7.358 823 HZ1 LYS 106 1HZ LYS 106 -4.310 -9.567 6.662 824 HZ2 LYS 106 2HZ LYS 106 -4.439 -9.610 8.346 825 HZ3 LYS 106 3HZ LYS 106 -3.316 -8.585 7.612 826 H CYS 107 H CYS 107 -0.708 -6.291 4.538 827 HA CYS 107 HA CYS 107 0.160 -7.468 6.909 828 HB2 CYS 107 1HB CYS 107 0.321 -8.727 4.915 829 HB3 CYS 107 2HB CYS 107 1.255 -7.482 4.096 830 H PHE 108 H PHE 108 1.594 -4.940 4.907 831 HA PHE 108 HA PHE 108 4.071 -4.935 6.340 832 HB2 PHE 108 1HB PHE 108 3.755 -4.369 3.899 833 HB3 PHE 108 2HB PHE 108 3.074 -2.833 4.431 834 HD1 PHE 108 HD1 PHE 108 6.106 -4.874 4.200 835 HD2 PHE 108 HD2 PHE 108 4.492 -1.101 5.334 836 HE1 PHE 108 HE1 PHE 108 8.376 -3.940 4.316 837 HE2 PHE 108 HE2 PHE 108 6.763 -0.162 5.445 838 HZ PHE 108 HZ PHE 108 8.705 -1.582 4.933 839 H GLN 109 H GLN 109 1.300 -2.688 6.131 840 HA GLN 109 HA GLN 109 2.354 -0.712 7.816 841 HB2 GLN 109 1HB GLN 109 0.133 0.183 7.948 842 HB3 GLN 109 2HB GLN 109 0.404 -0.394 6.313 843 HG2 GLN 109 1HG GLN 109 -1.616 -1.311 6.557 844 HG3 GLN 109 2HG GLN 109 -0.750 -2.570 7.444 845 HE21 GLN 109 1HE2 GLN 109 -3.508 -1.746 7.721 846 HE22 GLN 109 2HE2 GLN 109 -3.705 -1.237 9.362 847 H LYS 110 H LYS 110 0.883 -3.752 8.526 848 HA LYS 110 HA LYS 110 0.031 -3.271 11.169 849 HB2 LYS 110 1HB LYS 110 -0.650 -5.185 9.745 850 HB3 LYS 110 2HB LYS 110 0.963 -5.853 9.904 851 HG2 LYS 110 1HG LYS 110 -0.414 -7.008 11.414 852 HG3 LYS 110 2HG LYS 110 0.574 -5.913 12.375 853 HD2 LYS 110 1HD LYS 110 -1.269 -4.338 12.522 854 HD3 LYS 110 2HD LYS 110 -2.265 -5.390 11.516 855 HE2 LYS 110 1HE LYS 110 -2.826 -5.659 13.870 856 HE3 LYS 110 2HE LYS 110 -2.135 -7.140 13.214 857 HZ1 LYS 110 1HZ LYS 110 -0.672 -5.133 14.837 858 HZ2 LYS 110 2HZ LYS 110 -0.021 -6.566 14.221 859 HZ3 LYS 110 3HZ LYS 110 -1.237 -6.625 15.393 860 H ASN 111 H ASN 111 3.138 -3.925 9.750 861 HA ASN 111 HA ASN 111 4.309 -4.254 12.435 862 HB2 ASN 111 1HB ASN 111 5.590 -4.945 9.786 863 HB3 ASN 111 2HB ASN 111 6.198 -5.319 11.391 864 HD21 ASN 111 1HD2 ASN 111 5.616 -7.092 9.174 865 HD22 ASN 111 2HD2 ASN 111 4.464 -8.237 9.759 866 H ASN 112 H ASN 112 4.378 -2.388 9.479 867 HA ASN 112 HA ASN 112 6.373 -0.575 10.650 868 HB2 ASN 112 1HB ASN 112 6.510 -1.807 7.888 869 HB3 ASN 112 2HB ASN 112 7.519 -0.470 8.445 870 HD21 ASN 112 1HD2 ASN 112 7.916 -3.393 7.631 871 HD22 ASN 112 2HD2 ASN 112 8.989 -3.992 8.852 872 H LEU 113 H LEU 113 4.233 0.621 10.901 873 HA LEU 113 HA LEU 113 3.221 1.690 8.401 874 HB2 LEU 113 1HB LEU 113 1.550 1.110 10.005 875 HB3 LEU 113 2HB LEU 113 2.308 2.096 11.239 876 HG LEU 113 HG LEU 113 1.783 4.105 9.837 877 HD11 LEU 113 1HD1 LEU 113 0.049 2.213 8.275 878 HD12 LEU 113 2HD1 LEU 113 1.603 2.816 7.705 879 HD13 LEU 113 3HD1 LEU 113 0.276 3.939 8.004 880 HD21 LEU 113 1HD2 LEU 113 -0.545 2.385 10.673 881 HD22 LEU 113 2HD2 LEU 113 -0.606 4.126 10.396 882 HD23 LEU 113 3HD2 LEU 113 0.368 3.474 11.715 883 H SER 114 H SER 114 5.206 2.664 11.085 884 HA SER 114 HA SER 114 5.120 5.458 10.664 885 HB2 SER 114 1HB SER 114 7.393 3.817 11.813 886 HB3 SER 114 2HB SER 114 7.133 5.547 12.035 887 HG SER 114 HG SER 114 4.891 4.431 12.753 888 H LEU 115 H LEU 115 7.070 2.890 9.252 889 HA LEU 115 HA LEU 115 8.878 4.499 7.819 890 HB2 LEU 115 1HB LEU 115 9.066 2.045 8.210 891 HB3 LEU 115 2HB LEU 115 7.786 1.803 7.039 892 HG LEU 115 HG LEU 115 9.255 2.898 5.325 893 HD11 LEU 115 1HD1 LEU 115 10.696 4.143 6.801 894 HD12 LEU 115 2HD1 LEU 115 11.658 3.005 5.855 895 HD13 LEU 115 3HD1 LEU 115 11.272 2.650 7.539 896 HD21 LEU 115 1HD2 LEU 115 10.677 0.941 5.008 897 HD22 LEU 115 2HD2 LEU 115 9.045 0.468 5.480 898 HD23 LEU 115 3HD2 LEU 115 10.352 0.427 6.663 899 H ILE 116 H ILE 116 5.644 3.345 7.152 900 HA ILE 116 HA ILE 116 5.492 4.113 4.446 901 HB ILE 116 HB ILE 116 3.356 3.624 6.521 902 HG12 ILE 116 1HG1 ILE 116 4.253 2.017 4.116 903 HG13 ILE 116 2HG1 ILE 116 4.740 1.699 5.785 904 HG21 ILE 116 1HG2 ILE 116 2.989 4.101 3.569 905 HG22 ILE 116 2HG2 ILE 116 2.484 5.194 4.858 906 HG23 ILE 116 3HG2 ILE 116 1.731 3.605 4.699 907 HD11 ILE 116 1HD1 ILE 116 2.964 0.201 5.049 908 HD12 ILE 116 2HD1 ILE 116 1.929 1.588 4.720 909 HD13 ILE 116 3HD1 ILE 116 2.424 1.233 6.371 910 H LYS 117 H LYS 117 4.604 5.727 7.462 911 HA LYS 117 HA LYS 117 3.492 8.047 6.329 912 HB2 LYS 117 1HB LYS 117 4.831 7.588 8.990 913 HB3 LYS 117 2HB LYS 117 4.032 9.092 8.559 914 HG2 LYS 117 1HG LYS 117 1.919 7.874 8.274 915 HG3 LYS 117 2HG LYS 117 2.721 6.377 8.746 916 HD2 LYS 117 1HD LYS 117 3.246 7.361 10.938 917 HD3 LYS 117 2HD LYS 117 2.434 8.852 10.461 918 HE2 LYS 117 1HE LYS 117 0.332 7.608 10.211 919 HE3 LYS 117 2HE LYS 117 1.151 6.135 10.716 920 HZ1 LYS 117 1HZ LYS 117 -0.035 7.118 12.553 921 HZ2 LYS 117 2HZ LYS 117 0.793 8.581 12.357 922 HZ3 LYS 117 3HZ LYS 117 1.629 7.194 12.848 923 H ALA 118 H ALA 118 6.775 7.261 7.365 924 HA ALA 118 HA ALA 118 7.871 9.839 6.909 925 HB1 ALA 118 1HB ALA 118 10.010 8.748 7.247 926 HB2 ALA 118 2HB ALA 118 9.237 7.169 7.097 927 HB3 ALA 118 3HB ALA 118 8.836 8.223 8.453 928 H SER 119 H SER 119 7.592 6.951 4.919 929 HA SER 119 HA SER 119 9.480 7.591 2.974 930 HB2 SER 119 1HB SER 119 8.352 5.968 1.547 931 HB3 SER 119 2HB SER 119 8.444 5.368 3.201 932 HG SER 119 HG SER 119 6.257 6.071 3.466 933 H ILE 120 H ILE 120 6.091 8.514 3.221 934 HA ILE 120 HA ILE 120 6.178 9.873 0.655 935 HB ILE 120 HB ILE 120 3.806 10.450 1.138 936 HG12 ILE 120 1HG1 ILE 120 4.054 8.616 3.518 937 HG13 ILE 120 2HG1 ILE 120 4.155 10.368 3.658 938 HG21 ILE 120 1HG2 ILE 120 2.954 8.125 0.966 939 HG22 ILE 120 2HG2 ILE 120 4.583 7.550 1.323 940 HG23 ILE 120 3HG2 ILE 120 4.280 8.482 -0.144 941 HD11 ILE 120 1HD1 ILE 120 1.812 8.824 2.584 942 HD12 ILE 120 2HD1 ILE 120 1.912 10.574 2.747 943 HD13 ILE 120 3HD1 ILE 120 1.929 9.554 4.183 944 H LYS 121 H LYS 121 7.183 10.643 3.695 945 HA LYS 121 HA LYS 121 6.204 13.363 3.755 946 HB2 LYS 121 1HB LYS 121 6.594 12.058 5.835 947 HB3 LYS 121 2HB LYS 121 8.315 12.043 5.470 948 HG2 LYS 121 1HG LYS 121 8.267 14.537 5.511 949 HG3 LYS 121 2HG LYS 121 6.601 14.438 6.077 950 HD2 LYS 121 1HD LYS 121 7.315 13.225 8.051 951 HD3 LYS 121 2HD LYS 121 8.982 13.228 7.473 952 HE2 LYS 121 1HE LYS 121 7.331 15.640 8.213 953 HE3 LYS 121 2HE LYS 121 8.672 14.967 9.136 954 HZ1 LYS 121 1HZ LYS 121 8.826 16.208 6.444 955 HZ2 LYS 121 2HZ LYS 121 10.125 15.461 7.227 956 HZ3 LYS 121 3HZ LYS 121 9.427 16.849 7.889 957 H LYS 122 H LYS 122 7.193 15.073 2.895 958 HA LYS 122 HA LYS 122 10.030 14.927 2.216 959 HB2 LYS 122 1HB LYS 122 8.001 14.559 0.288 960 HB3 LYS 122 2HB LYS 122 8.617 16.174 0.048 961 HG2 LYS 122 1HG LYS 122 10.343 13.713 0.157 962 HG3 LYS 122 2HG LYS 122 9.741 14.449 -1.329 963 HD2 LYS 122 1HD LYS 122 10.896 16.543 -0.721 964 HD3 LYS 122 2HD LYS 122 11.551 15.742 0.708 965 HE2 LYS 122 1HE LYS 122 13.193 15.750 -1.074 966 HE3 LYS 122 2HE LYS 122 12.666 14.103 -0.735 967 HZ1 LYS 122 1HZ LYS 122 12.796 14.483 -3.102 968 HZ2 LYS 122 2HZ LYS 122 11.744 15.802 -2.989 969 HZ3 LYS 122 3HZ LYS 122 11.179 14.245 -2.660 970 H ASP 123 H ASP 123 10.749 16.573 3.369 971 HA ASP 123 HA ASP 123 9.190 19.036 3.523 972 HB2 ASP 123 1HB ASP 123 10.119 17.998 5.599 973 HB3 ASP 123 2HB ASP 123 11.738 18.327 4.987 974 H21 ACD 201 H21 ACD 1 -4.671 5.388 1.839 975 H22 ACD 201 H22 ACD 1 -3.332 5.504 2.990 976 H31 ACD 201 H31 ACD 1 -1.974 6.672 1.244 977 H32 ACD 201 H32 ACD 1 -3.293 6.478 0.095 978 H41 ACD 201 H41 ACD 1 -3.114 4.006 0.302 979 H42 ACD 201 H42 ACD 1 -1.580 4.716 -0.212 980 H5 ACD 201 H5 ACD 1 -2.146 3.399 2.480 981 H6 ACD 201 H6 ACD 1 0.184 3.801 2.840 982 H71 ACD 201 H71 ACD 1 0.705 4.669 0.170 983 H72 ACD 201 H72 ACD 1 -0.205 6.028 0.820 984 H8 ACD 201 H8 ACD 1 1.599 6.451 2.531 985 H9 ACD 201 H9 ACD 1 3.737 5.580 1.943 986 H101 ACD 201 H101 ACD 1 2.726 4.643 -0.609 987 H102 ACD 201 H102 ACD 1 2.273 3.378 0.538 988 H11 ACD 201 H11 ACD 1 5.213 4.326 0.460 989 H12 ACD 201 H12 ACD 1 5.605 2.003 0.175 990 H131 ACD 201 H131 ACD 1 2.647 1.959 -0.594 991 H132 ACD 201 H132 ACD 1 3.781 0.608 -0.683 992 H14 ACD 201 H14 ACD 1 2.605 1.633 2.000 993 H15 ACD 201 H15 ACD 1 2.518 -0.705 2.435 994 H161 ACD 201 H161 ACD 1 2.744 -1.387 -0.368 995 H162 ACD 201 H162 ACD 1 4.394 -0.978 0.109 996 H171 ACD 201 H171 ACD 1 4.428 -2.670 1.819 997 H172 ACD 201 H172 ACD 1 2.694 -2.952 1.669 998 H181 ACD 201 H181 ACD 1 4.751 -3.502 -0.511 999 H182 ACD 201 H182 ACD 1 3.018 -3.818 -0.633 1000 H191 ACD 201 H191 ACD 1 4.963 -5.104 1.332 1001 H192 ACD 201 H192 ACD 1 3.215 -5.347 1.376 1002 H201 ACD 201 H201 ACD 1 5.018 -6.029 -0.957 1003 H202 ACD 201 H202 ACD 1 3.306 -6.268 -0.912 1004 H203 ACD 201 H203 ACD 1 4.332 -7.164 0.153 Start of MODEL 4 1 H1 MET 1 1H MET 1 16.341 12.536 -14.868 2 H2 MET 1 2H MET 1 15.361 13.084 -13.604 3 H3 MET 1 3H MET 1 16.131 11.585 -13.487 4 HA MET 1 HA MET 1 18.274 12.628 -13.479 5 HB2 MET 1 1HB MET 1 18.264 15.167 -13.091 6 HB3 MET 1 2HB MET 1 18.022 14.585 -14.729 7 HG2 MET 1 1HG MET 1 16.515 16.380 -14.350 8 HG3 MET 1 2HG MET 1 15.577 14.892 -14.416 9 HE1 MET 1 1HE MET 1 13.567 17.075 -11.866 10 HE2 MET 1 2HE MET 1 13.488 16.133 -13.355 11 HE3 MET 1 3HE MET 1 14.418 17.631 -13.308 12 H GLU 2 H GLU 2 15.366 12.675 -11.782 13 HA GLU 2 HA GLU 2 16.694 12.183 -9.320 14 HB2 GLU 2 1HB GLU 2 16.824 14.610 -9.254 15 HB3 GLU 2 2HB GLU 2 15.099 14.732 -9.561 16 HG2 GLU 2 1HG GLU 2 14.622 13.683 -7.436 17 HG3 GLU 2 2HG GLU 2 16.346 13.488 -7.126 18 H PHE 3 H PHE 3 15.586 10.437 -8.837 19 HA PHE 3 HA PHE 3 12.918 9.911 -9.497 20 HB2 PHE 3 1HB PHE 3 14.449 8.119 -8.910 21 HB3 PHE 3 2HB PHE 3 14.607 8.754 -7.268 22 HD1 PHE 3 HD1 PHE 3 13.070 8.164 -5.596 23 HD2 PHE 3 HD2 PHE 3 12.253 7.211 -9.658 24 HE1 PHE 3 HE1 PHE 3 11.176 6.766 -4.879 25 HE2 PHE 3 HE2 PHE 3 10.356 5.810 -8.953 26 HZ PHE 3 HZ PHE 3 9.814 5.586 -6.561 27 H THR 4 H THR 4 11.131 10.768 -8.768 28 HA THR 4 HA THR 4 11.178 12.251 -6.245 29 HB THR 4 HB THR 4 8.698 12.403 -7.763 30 HG1 THR 4 HG1 THR 4 11.176 13.042 -9.018 31 HG21 THR 4 1HG2 THR 4 9.313 13.943 -5.986 32 HG22 THR 4 2HG2 THR 4 9.118 14.803 -7.512 33 HG23 THR 4 3HG2 THR 4 10.734 14.451 -6.899 34 H VAL 5 H VAL 5 10.427 11.325 -4.512 35 HA VAL 5 HA VAL 5 8.797 8.925 -4.636 36 HB VAL 5 HB VAL 5 9.223 8.619 -2.397 37 HG11 VAL 5 1HG1 VAL 5 11.332 8.662 -3.542 38 HG12 VAL 5 2HG1 VAL 5 11.505 9.220 -1.879 39 HG13 VAL 5 3HG1 VAL 5 11.507 10.383 -3.202 40 HG21 VAL 5 1HG2 VAL 5 9.627 10.356 -0.740 41 HG22 VAL 5 2HG2 VAL 5 8.127 10.677 -1.608 42 HG23 VAL 5 3HG2 VAL 5 9.585 11.590 -1.998 43 H SER 6 H SER 6 6.734 8.710 -3.805 44 HA SER 6 HA SER 6 5.052 10.986 -4.324 45 HB2 SER 6 1HB SER 6 4.255 8.266 -3.253 46 HB3 SER 6 2HB SER 6 3.211 9.445 -4.048 47 HG SER 6 HG SER 6 5.005 7.640 -5.134 48 H THR 7 H THR 7 5.132 12.537 -2.770 49 HA THR 7 HA THR 7 5.439 11.869 0.008 50 HB THR 7 HB THR 7 5.295 14.296 0.411 51 HG1 THR 7 HG1 THR 7 4.629 14.322 -2.364 52 HG21 THR 7 1HG2 THR 7 7.092 13.509 -1.880 53 HG22 THR 7 2HG2 THR 7 7.449 13.337 -0.163 54 HG23 THR 7 3HG2 THR 7 7.295 14.943 -0.876 55 H THR 8 H THR 8 3.940 13.156 1.599 56 HA THR 8 HA THR 8 1.421 12.015 1.603 57 HB THR 8 HB THR 8 2.057 14.645 2.929 58 HG1 THR 8 HG1 THR 8 3.181 13.549 4.459 59 HG21 THR 8 1HG2 THR 8 0.295 12.317 3.693 60 HG22 THR 8 2HG2 THR 8 -0.239 13.915 3.170 61 HG23 THR 8 3HG2 THR 8 0.603 13.726 4.708 62 H GLU 9 H GLU 9 2.473 15.125 0.349 63 HA GLU 9 HA GLU 9 -0.096 16.171 -0.145 64 HB2 GLU 9 1HB GLU 9 2.543 16.884 -1.424 65 HB3 GLU 9 2HB GLU 9 1.076 17.857 -1.472 66 HG2 GLU 9 1HG GLU 9 1.136 18.040 0.973 67 HG3 GLU 9 2HG GLU 9 2.638 17.120 0.991 68 H ASP 10 H ASP 10 2.212 14.398 -2.178 69 HA ASP 10 HA ASP 10 0.647 14.391 -4.537 70 HB2 ASP 10 1HB ASP 10 2.590 12.256 -3.602 71 HB3 ASP 10 2HB ASP 10 1.938 12.433 -5.229 72 H LEU 11 H LEU 11 0.764 12.347 -1.708 73 HA LEU 11 HA LEU 11 -0.817 10.253 -2.664 74 HB2 LEU 11 1HB LEU 11 0.634 10.041 -0.737 75 HB3 LEU 11 2HB LEU 11 -0.373 11.174 0.175 76 HG LEU 11 HG LEU 11 -2.239 9.537 -0.021 77 HD11 LEU 11 1HD1 LEU 11 -1.467 8.390 -2.026 78 HD12 LEU 11 2HD1 LEU 11 -1.725 7.260 -0.702 79 HD13 LEU 11 3HD1 LEU 11 -0.086 7.749 -1.135 80 HD21 LEU 11 1HD2 LEU 11 0.229 8.355 1.237 81 HD22 LEU 11 2HD2 LEU 11 -1.449 8.116 1.725 82 HD23 LEU 11 3HD2 LEU 11 -0.685 9.689 1.941 83 H GLN 12 H GLN 12 -1.640 13.290 -1.116 84 HA GLN 12 HA GLN 12 -4.365 12.702 -0.616 85 HB2 GLN 12 1HB GLN 12 -2.922 15.327 -0.982 86 HB3 GLN 12 2HB GLN 12 -4.621 15.212 -0.551 87 HG2 GLN 12 1HG GLN 12 -4.024 14.027 1.496 88 HG3 GLN 12 2HG GLN 12 -2.321 14.131 1.058 89 HE21 GLN 12 1HE2 GLN 12 -3.752 15.157 3.383 90 HE22 GLN 12 2HE2 GLN 12 -3.436 16.856 3.420 91 H ARG 13 H ARG 13 -2.630 13.862 -3.409 92 HA ARG 13 HA ARG 13 -4.942 14.661 -4.873 93 HB2 ARG 13 1HB ARG 13 -2.708 15.569 -5.339 94 HB3 ARG 13 2HB ARG 13 -2.176 13.980 -5.871 95 HG2 ARG 13 1HG ARG 13 -2.635 15.181 -7.832 96 HG3 ARG 13 2HG ARG 13 -4.016 14.095 -7.605 97 HD2 ARG 13 1HD ARG 13 -3.934 17.012 -6.843 98 HD3 ARG 13 2HD ARG 13 -4.690 16.355 -8.290 99 HE ARG 13 HE ARG 13 -5.870 15.008 -6.223 100 HH11 ARG 13 1HH1 ARG 13 -5.563 18.350 -7.200 101 HH12 ARG 13 2HH1 ARG 13 -6.996 18.860 -6.367 102 HH21 ARG 13 1HH2 ARG 13 -7.755 15.671 -5.113 103 HH22 ARG 13 2HH2 ARG 13 -8.248 17.338 -5.194 104 H TYR 14 H TYR 14 -2.952 11.732 -4.755 105 HA TYR 14 HA TYR 14 -4.253 10.401 -6.892 106 HB2 TYR 14 1HB TYR 14 -2.753 9.201 -4.556 107 HB3 TYR 14 2HB TYR 14 -3.186 8.370 -6.040 108 HD1 TYR 14 HD1 TYR 14 -0.413 9.229 -4.571 109 HD2 TYR 14 HD2 TYR 14 -2.512 10.394 -8.082 110 HE1 TYR 14 HE1 TYR 14 1.702 9.953 -5.588 111 HE2 TYR 14 HE2 TYR 14 -0.399 11.114 -9.109 112 HH TYR 14 HH TYR 14 2.644 10.316 -7.817 113 H ARG 15 H ARG 15 -4.871 10.590 -3.440 114 HA ARG 15 HA ARG 15 -6.711 8.505 -3.271 115 HB2 ARG 15 1HB ARG 15 -6.495 9.077 -1.132 116 HB3 ARG 15 2HB ARG 15 -5.794 10.625 -1.569 117 HG2 ARG 15 1HG ARG 15 -7.826 11.728 -1.448 118 HG3 ARG 15 2HG ARG 15 -8.758 10.239 -1.644 119 HD2 ARG 15 1HD ARG 15 -8.869 11.077 0.660 120 HD3 ARG 15 2HD ARG 15 -8.084 9.505 0.574 121 HE ARG 15 HE ARG 15 -6.714 12.073 1.017 122 HH11 ARG 15 1HH1 ARG 15 -6.791 8.580 1.171 123 HH12 ARG 15 2HH1 ARG 15 -5.345 8.447 2.130 124 HH21 ARG 15 1HH2 ARG 15 -4.826 11.913 2.323 125 HH22 ARG 15 2HH2 ARG 15 -4.243 10.346 2.789 126 H THR 16 H THR 16 -7.150 11.901 -4.146 127 HA THR 16 HA THR 16 -9.940 11.971 -4.261 128 HB THR 16 HB THR 16 -8.366 13.419 -6.344 129 HG1 THR 16 HG1 THR 16 -8.170 13.820 -3.526 130 HG21 THR 16 1HG2 THR 16 -9.858 15.250 -5.690 131 HG22 THR 16 2HG2 THR 16 -10.552 14.227 -4.432 132 HG23 THR 16 3HG2 THR 16 -10.758 13.800 -6.131 133 H GLU 17 H GLU 17 -7.579 11.136 -6.775 134 HA GLU 17 HA GLU 17 -9.338 10.721 -8.886 135 HB2 GLU 17 1HB GLU 17 -6.575 10.016 -8.263 136 HB3 GLU 17 2HB GLU 17 -7.352 8.841 -9.295 137 HG2 GLU 17 1HG GLU 17 -7.923 10.596 -10.890 138 HG3 GLU 17 2HG GLU 17 -7.158 11.797 -9.845 139 H CYS 18 H CYS 18 -8.112 8.393 -6.516 140 HA CYS 18 HA CYS 18 -9.546 6.197 -7.600 141 HB2 CYS 18 1HB CYS 18 -8.217 6.571 -4.915 142 HB3 CYS 18 2HB CYS 18 -8.875 5.040 -5.514 143 H VAL 19 H VAL 19 -10.255 8.580 -5.151 144 HA VAL 19 HA VAL 19 -12.408 7.225 -3.960 145 HB VAL 19 HB VAL 19 -11.523 10.080 -3.965 146 HG11 VAL 19 1HG1 VAL 19 -13.397 10.679 -2.520 147 HG12 VAL 19 2HG1 VAL 19 -14.100 9.078 -2.759 148 HG13 VAL 19 3HG1 VAL 19 -13.956 10.192 -4.124 149 HG21 VAL 19 1HG2 VAL 19 -11.966 7.998 -1.826 150 HG22 VAL 19 2HG2 VAL 19 -11.407 9.647 -1.535 151 HG23 VAL 19 3HG2 VAL 19 -10.414 8.532 -2.474 152 H SER 20 H SER 20 -12.297 9.759 -6.417 153 HA SER 20 HA SER 20 -15.081 9.817 -6.858 154 HB2 SER 20 1HB SER 20 -13.581 11.658 -7.455 155 HB3 SER 20 2HB SER 20 -12.816 10.648 -8.679 156 HG SER 20 HG SER 20 -14.431 11.002 -9.986 157 H SER 21 H SER 21 -12.489 7.901 -8.327 158 HA SER 21 HA SER 21 -14.100 7.008 -10.522 159 HB2 SER 21 1HB SER 21 -11.479 5.950 -9.441 160 HB3 SER 21 2HB SER 21 -12.198 5.505 -10.990 161 HG SER 21 HG SER 21 -11.114 7.985 -10.171 162 H LEU 22 H LEU 22 -13.009 5.516 -7.461 163 HA LEU 22 HA LEU 22 -14.461 3.093 -8.100 164 HB2 LEU 22 1HB LEU 22 -12.741 3.903 -5.765 165 HB3 LEU 22 2HB LEU 22 -13.562 2.342 -5.860 166 HG LEU 22 HG LEU 22 -11.586 3.316 -7.917 167 HD11 LEU 22 1HD1 LEU 22 -9.992 1.795 -6.848 168 HD12 LEU 22 2HD1 LEU 22 -11.172 1.460 -5.578 169 HD13 LEU 22 3HD1 LEU 22 -10.494 3.078 -5.746 170 HD21 LEU 22 1HD2 LEU 22 -12.701 0.579 -7.334 171 HD22 LEU 22 2HD2 LEU 22 -11.567 1.003 -8.618 172 HD23 LEU 22 3HD2 LEU 22 -13.214 1.629 -8.655 173 H ASN 23 H ASN 23 -15.654 5.853 -7.301 174 HA ASN 23 HA ASN 23 -17.456 6.672 -6.168 175 HB2 ASN 23 1HB ASN 23 -18.287 3.769 -6.229 176 HB3 ASN 23 2HB ASN 23 -19.344 5.121 -5.873 177 HD21 ASN 23 1HD2 ASN 23 -19.512 3.154 -7.996 178 HD22 ASN 23 2HD2 ASN 23 -19.506 4.051 -9.481 179 H ILE 24 H ILE 24 -15.211 6.081 -4.537 180 HA ILE 24 HA ILE 24 -15.905 4.708 -2.170 181 HB ILE 24 HB ILE 24 -13.889 6.937 -2.426 182 HG12 ILE 24 1HG1 ILE 24 -13.506 5.225 -4.179 183 HG13 ILE 24 2HG1 ILE 24 -12.224 5.226 -2.969 184 HG21 ILE 24 1HG2 ILE 24 -14.112 4.608 -0.528 185 HG22 ILE 24 2HG2 ILE 24 -14.362 6.313 -0.149 186 HG23 ILE 24 3HG2 ILE 24 -12.756 5.736 -0.595 187 HD11 ILE 24 1HD1 ILE 24 -12.831 2.969 -3.607 188 HD12 ILE 24 2HD1 ILE 24 -14.505 3.271 -3.143 189 HD13 ILE 24 3HD1 ILE 24 -13.239 3.263 -1.915 190 HA PRO 25 HA PRO 25 -18.748 7.765 -0.493 191 HB2 PRO 25 1HB PRO 25 -18.344 6.147 1.939 192 HB3 PRO 25 2HB PRO 25 -19.837 6.562 1.093 193 HG2 PRO 25 1HG PRO 25 -18.808 4.097 1.011 194 HG3 PRO 25 2HG PRO 25 -19.655 4.815 -0.372 195 HD2 PRO 25 1HD PRO 25 -16.722 4.437 0.070 196 HD3 PRO 25 2HD PRO 25 -17.671 4.310 -1.432 197 H ALA 26 H ALA 26 -18.511 9.543 0.692 198 HA ALA 26 HA ALA 26 -16.016 10.583 1.318 199 HB1 ALA 26 1HB ALA 26 -18.044 11.913 0.937 200 HB2 ALA 26 2HB ALA 26 -17.214 12.375 2.424 201 HB3 ALA 26 3HB ALA 26 -18.671 11.380 2.497 202 H ASP 27 H ASP 27 -18.292 8.852 3.365 203 HA ASP 27 HA ASP 27 -17.254 9.176 5.880 204 HB2 ASP 27 1HB ASP 27 -19.188 7.863 5.661 205 HB3 ASP 27 2HB ASP 27 -18.421 6.756 4.530 206 H TYR 28 H TYR 28 -16.182 6.743 3.496 207 HA TYR 28 HA TYR 28 -14.106 5.691 5.023 208 HB2 TYR 28 1HB TYR 28 -14.699 5.759 2.090 209 HB3 TYR 28 2HB TYR 28 -13.184 5.063 2.665 210 HD1 TYR 28 HD1 TYR 28 -16.863 4.775 2.786 211 HD2 TYR 28 HD2 TYR 28 -13.152 2.912 3.715 212 HE1 TYR 28 HE1 TYR 28 -18.043 2.669 3.254 213 HE2 TYR 28 HE2 TYR 28 -14.322 0.805 4.188 214 HH TYR 28 HH TYR 28 -17.514 0.230 3.301 215 H VAL 29 H VAL 29 -14.215 8.448 2.862 216 HA VAL 29 HA VAL 29 -11.463 8.928 2.607 217 HB VAL 29 HB VAL 29 -13.704 10.938 2.553 218 HG11 VAL 29 1HG1 VAL 29 -11.555 12.018 2.757 219 HG12 VAL 29 2HG1 VAL 29 -12.147 12.214 1.107 220 HG13 VAL 29 3HG1 VAL 29 -10.898 11.019 1.462 221 HG21 VAL 29 1HG2 VAL 29 -12.490 9.249 0.382 222 HG22 VAL 29 2HG2 VAL 29 -13.606 10.587 0.106 223 HG23 VAL 29 3HG2 VAL 29 -14.140 9.161 0.997 224 H GLU 30 H GLU 30 -13.833 10.068 4.996 225 HA GLU 30 HA GLU 30 -12.100 11.737 6.481 226 HB2 GLU 30 1HB GLU 30 -14.290 10.149 7.784 227 HB3 GLU 30 2HB GLU 30 -13.734 11.782 8.130 228 HG2 GLU 30 1HG GLU 30 -14.670 12.536 6.004 229 HG3 GLU 30 2HG GLU 30 -15.294 10.917 5.722 230 H LYS 31 H LYS 31 -12.711 8.299 6.542 231 HA LYS 31 HA LYS 31 -11.316 7.725 8.941 232 HB2 LYS 31 1HB LYS 31 -11.913 5.914 6.595 233 HB3 LYS 31 2HB LYS 31 -11.355 5.389 8.188 234 HG2 LYS 31 1HG LYS 31 -13.406 6.399 9.165 235 HG3 LYS 31 2HG LYS 31 -13.974 6.715 7.525 236 HD2 LYS 31 1HD LYS 31 -13.791 4.282 7.041 237 HD3 LYS 31 2HD LYS 31 -13.364 4.016 8.744 238 HE2 LYS 31 1HE LYS 31 -15.527 5.027 9.407 239 HE3 LYS 31 2HE LYS 31 -15.952 5.192 7.704 240 HZ1 LYS 31 1HZ LYS 31 -15.394 2.623 9.086 241 HZ2 LYS 31 2HZ LYS 31 -15.869 2.801 7.474 242 HZ3 LYS 31 3HZ LYS 31 -16.931 3.221 8.718 243 H PHE 32 H PHE 32 -10.373 7.487 5.525 244 HA PHE 32 HA PHE 32 -7.789 6.511 5.908 245 HB2 PHE 32 1HB PHE 32 -8.735 8.315 3.681 246 HB3 PHE 32 2HB PHE 32 -7.319 7.270 3.646 247 HD1 PHE 32 HD1 PHE 32 -9.897 7.406 1.833 248 HD2 PHE 32 HD2 PHE 32 -8.604 4.869 4.993 249 HE1 PHE 32 HE1 PHE 32 -11.266 5.575 0.922 250 HE2 PHE 32 HE2 PHE 32 -9.971 3.040 4.091 251 HZ PHE 32 HZ PHE 32 -11.302 3.385 2.049 252 H LYS 33 H LYS 33 -9.054 9.746 6.086 253 HA LYS 33 HA LYS 33 -6.681 11.230 6.037 254 HB2 LYS 33 1HB LYS 33 -9.124 12.041 6.026 255 HB3 LYS 33 2HB LYS 33 -9.038 11.896 7.780 256 HG2 LYS 33 1HG LYS 33 -7.195 13.466 7.855 257 HG3 LYS 33 2HG LYS 33 -7.227 13.605 6.090 258 HD2 LYS 33 1HD LYS 33 -9.504 14.497 6.208 259 HD3 LYS 33 2HD LYS 33 -9.475 14.350 7.966 260 HE2 LYS 33 1HE LYS 33 -9.026 16.642 7.282 261 HE3 LYS 33 2HE LYS 33 -7.617 15.934 8.069 262 HZ1 LYS 33 1HZ LYS 33 -6.619 15.565 5.921 263 HZ2 LYS 33 2HZ LYS 33 -7.040 17.195 6.070 264 HZ3 LYS 33 3HZ LYS 33 -7.992 16.161 5.133 265 H LYS 34 H LYS 34 -8.003 9.147 8.476 266 HA LYS 34 HA LYS 34 -5.939 10.079 10.350 267 HB2 LYS 34 1HB LYS 34 -8.719 9.060 10.855 268 HB3 LYS 34 2HB LYS 34 -7.490 8.986 12.115 269 HG2 LYS 34 1HG LYS 34 -7.219 11.403 11.991 270 HG3 LYS 34 2HG LYS 34 -8.417 11.479 10.698 271 HD2 LYS 34 1HD LYS 34 -10.094 10.532 12.243 272 HD3 LYS 34 2HD LYS 34 -8.888 10.555 13.532 273 HE2 LYS 34 1HE LYS 34 -8.716 12.968 13.364 274 HE3 LYS 34 2HE LYS 34 -9.842 12.975 12.009 275 HZ1 LYS 34 1HZ LYS 34 -10.440 12.213 14.809 276 HZ2 LYS 34 2HZ LYS 34 -11.525 12.037 13.527 277 HZ3 LYS 34 3HZ LYS 34 -11.003 13.576 13.986 278 H TRP 35 H TRP 35 -5.753 8.080 8.212 279 HA TRP 35 HA TRP 35 -4.911 6.018 7.796 280 HB2 TRP 35 1HB TRP 35 -3.858 6.423 10.597 281 HB3 TRP 35 2HB TRP 35 -3.340 5.110 9.532 282 HD1 TRP 35 HD1 TRP 35 -2.998 8.871 10.057 283 HE1 TRP 35 HE1 TRP 35 -1.079 9.757 8.591 284 HE3 TRP 35 HE3 TRP 35 -2.041 4.647 7.328 285 HZ2 TRP 35 HZ2 TRP 35 0.611 8.794 6.568 286 HZ3 TRP 35 HZ3 TRP 35 -0.254 4.721 5.644 287 HH2 TRP 35 HH2 TRP 35 1.049 6.746 5.269 288 H GLU 36 H GLU 36 -7.563 5.863 8.463 289 HA GLU 36 HA GLU 36 -7.674 3.366 10.006 290 HB2 GLU 36 1HB GLU 36 -8.928 5.222 11.040 291 HB3 GLU 36 2HB GLU 36 -9.882 5.376 9.576 292 HG2 GLU 36 1HG GLU 36 -10.769 3.150 9.901 293 HG3 GLU 36 2HG GLU 36 -9.790 2.955 11.349 294 H PHE 37 H PHE 37 -7.740 1.724 8.679 295 HA PHE 37 HA PHE 37 -9.205 1.999 6.132 296 HB2 PHE 37 1HB PHE 37 -6.898 0.132 6.753 297 HB3 PHE 37 2HB PHE 37 -7.679 0.327 5.191 298 HD1 PHE 37 HD1 PHE 37 -5.547 1.984 7.701 299 HD2 PHE 37 HD2 PHE 37 -7.066 2.094 3.723 300 HE1 PHE 37 HE1 PHE 37 -3.937 3.754 7.137 301 HE2 PHE 37 HE2 PHE 37 -5.468 3.872 3.160 302 HZ PHE 37 HZ PHE 37 -3.898 4.704 4.865 303 HA PRO 38 HA PRO 38 -11.803 -1.103 8.302 304 HB2 PRO 38 1HB PRO 38 -13.459 -0.409 5.940 305 HB3 PRO 38 2HB PRO 38 -13.915 -0.552 7.648 306 HG2 PRO 38 1HG PRO 38 -13.701 1.845 6.538 307 HG3 PRO 38 2HG PRO 38 -13.087 1.556 8.178 308 HD2 PRO 38 1HD PRO 38 -11.554 1.710 5.592 309 HD3 PRO 38 2HD PRO 38 -11.159 2.419 7.188 310 H GLU 39 H GLU 39 -12.027 -3.210 7.844 311 HA GLU 39 HA GLU 39 -10.703 -4.215 5.495 312 HB2 GLU 39 1HB GLU 39 -10.378 -5.255 7.708 313 HB3 GLU 39 2HB GLU 39 -12.074 -5.711 7.737 314 HG2 GLU 39 1HG GLU 39 -11.786 -7.240 5.958 315 HG3 GLU 39 2HG GLU 39 -10.178 -6.619 5.593 316 H ASP 40 H ASP 40 -12.053 -3.468 3.887 317 HA ASP 40 HA ASP 40 -14.433 -5.057 3.389 318 HB2 ASP 40 1HB ASP 40 -15.408 -3.191 4.617 319 HB3 ASP 40 2HB ASP 40 -14.553 -2.031 3.606 320 H ASP 41 H ASP 41 -15.063 -5.037 1.173 321 HA ASP 41 HA ASP 41 -13.008 -5.109 -0.657 322 HB2 ASP 41 1HB ASP 41 -15.908 -4.499 -1.285 323 HB3 ASP 41 2HB ASP 41 -14.709 -5.111 -2.418 324 H THR 42 H THR 42 -15.179 -2.417 0.036 325 HA THR 42 HA THR 42 -14.544 -0.646 -1.985 326 HB THR 42 HB THR 42 -15.069 0.043 0.907 327 HG1 THR 42 HG1 THR 42 -16.734 -1.261 0.241 328 HG21 THR 42 1HG2 THR 42 -16.090 2.076 -0.064 329 HG22 THR 42 2HG2 THR 42 -15.492 1.581 -1.648 330 HG23 THR 42 3HG2 THR 42 -14.356 1.965 -0.355 331 H THR 43 H THR 43 -13.080 -0.719 1.265 332 HA THR 43 HA THR 43 -11.054 1.147 0.809 333 HB THR 43 HB THR 43 -10.926 -1.216 2.684 334 HG1 THR 43 HG1 THR 43 -11.775 0.527 4.167 335 HG21 THR 43 1HG2 THR 43 -9.577 1.484 2.683 336 HG22 THR 43 2HG2 THR 43 -8.806 -0.098 2.557 337 HG23 THR 43 3HG2 THR 43 -9.581 0.391 4.066 338 H MET 44 H MET 44 -11.223 -2.286 0.139 339 HA MET 44 HA MET 44 -8.430 -2.699 -0.114 340 HB2 MET 44 1HB MET 44 -10.720 -4.333 -1.200 341 HB3 MET 44 2HB MET 44 -9.049 -4.868 -1.102 342 HG2 MET 44 1HG MET 44 -9.136 -4.681 1.332 343 HG3 MET 44 2HG MET 44 -10.807 -4.142 1.227 344 HE1 MET 44 1HE MET 44 -9.869 -6.570 3.062 345 HE2 MET 44 2HE MET 44 -11.210 -7.678 2.759 346 HE3 MET 44 3HE MET 44 -11.516 -5.948 2.935 347 H CYS 45 H CYS 45 -11.027 -2.315 -2.517 348 HA CYS 45 HA CYS 45 -9.297 -2.382 -4.758 349 HB2 CYS 45 1HB CYS 45 -12.034 -1.115 -4.504 350 HB3 CYS 45 2HB CYS 45 -11.202 -1.454 -6.015 351 H TYR 46 H TYR 46 -10.290 0.123 -2.565 352 HA TYR 46 HA TYR 46 -9.439 2.376 -3.978 353 HB2 TYR 46 1HB TYR 46 -10.735 2.769 -2.067 354 HB3 TYR 46 2HB TYR 46 -9.741 1.722 -1.061 355 HD1 TYR 46 HD1 TYR 46 -9.667 4.966 -2.903 356 HD2 TYR 46 HD2 TYR 46 -8.093 2.642 0.297 357 HE1 TYR 46 HE1 TYR 46 -8.453 6.937 -2.071 358 HE2 TYR 46 HE2 TYR 46 -6.872 4.603 1.132 359 HH TYR 46 HH TYR 46 -6.107 6.708 0.503 360 H ILE 47 H ILE 47 -7.731 0.227 -1.752 361 HA ILE 47 HA ILE 47 -5.310 1.600 -1.669 362 HB ILE 47 HB ILE 47 -5.920 -1.313 -1.246 363 HG12 ILE 47 1HG1 ILE 47 -6.906 0.210 0.395 364 HG13 ILE 47 2HG1 ILE 47 -5.614 -0.726 1.142 365 HG21 ILE 47 1HG2 ILE 47 -3.311 0.128 -0.787 366 HG22 ILE 47 2HG2 ILE 47 -3.607 -1.195 -1.914 367 HG23 ILE 47 3HG2 ILE 47 -3.691 -1.482 -0.177 368 HD11 ILE 47 1HD1 ILE 47 -5.445 1.505 1.925 369 HD12 ILE 47 2HD1 ILE 47 -5.545 2.158 0.292 370 HD13 ILE 47 3HD1 ILE 47 -4.115 1.255 0.794 371 H LYS 48 H LYS 48 -6.374 -0.967 -3.927 372 HA LYS 48 HA LYS 48 -3.811 -1.249 -5.059 373 HB2 LYS 48 1HB LYS 48 -5.239 -2.120 -7.103 374 HB3 LYS 48 2HB LYS 48 -4.983 -3.097 -5.680 375 HG2 LYS 48 1HG LYS 48 -7.196 -2.406 -4.856 376 HG3 LYS 48 2HG LYS 48 -7.410 -1.408 -6.294 377 HD2 LYS 48 1HD LYS 48 -7.048 -4.401 -6.252 378 HD3 LYS 48 2HD LYS 48 -8.567 -3.549 -6.518 379 HE2 LYS 48 1HE LYS 48 -6.133 -3.317 -8.283 380 HE3 LYS 48 2HE LYS 48 -7.502 -4.372 -8.601 381 HZ1 LYS 48 1HZ LYS 48 -8.930 -2.427 -8.712 382 HZ2 LYS 48 2HZ LYS 48 -7.677 -2.315 -9.837 383 HZ3 LYS 48 3HZ LYS 48 -7.612 -1.410 -8.414 384 H CYS 49 H CYS 49 -6.651 0.654 -5.951 385 HA CYS 49 HA CYS 49 -5.705 1.737 -8.333 386 HB2 CYS 49 1HB CYS 49 -7.978 2.044 -7.821 387 HB3 CYS 49 2HB CYS 49 -7.631 2.810 -6.274 388 H VAL 50 H VAL 50 -5.451 3.040 -5.015 389 HA VAL 50 HA VAL 50 -4.043 5.351 -5.638 390 HB VAL 50 HB VAL 50 -4.128 3.698 -3.122 391 HG11 VAL 50 1HG1 VAL 50 -3.155 5.627 -1.964 392 HG12 VAL 50 2HG1 VAL 50 -2.895 6.424 -3.517 393 HG13 VAL 50 3HG1 VAL 50 -2.030 4.933 -3.131 394 HG21 VAL 50 1HG2 VAL 50 -6.215 4.722 -3.740 395 HG22 VAL 50 2HG2 VAL 50 -5.423 6.284 -3.932 396 HG23 VAL 50 3HG2 VAL 50 -5.541 5.547 -2.334 397 H PHE 51 H PHE 51 -2.920 2.153 -4.694 398 HA PHE 51 HA PHE 51 -0.179 2.690 -4.685 399 HB2 PHE 51 1HB PHE 51 -1.898 0.275 -4.758 400 HB3 PHE 51 2HB PHE 51 -0.214 0.063 -5.226 401 HD1 PHE 51 HD1 PHE 51 -1.311 2.523 -2.716 402 HD2 PHE 51 HD2 PHE 51 0.342 -1.344 -3.381 403 HE1 PHE 51 HE1 PHE 51 -0.716 2.368 -0.333 404 HE2 PHE 51 HE2 PHE 51 0.937 -1.502 -1.002 405 HZ PHE 51 HZ PHE 51 0.410 0.356 0.525 406 H ASN 52 H ASN 52 -2.408 2.140 -7.251 407 HA ASN 52 HA ASN 52 -0.383 1.471 -9.202 408 HB2 ASN 52 1HB ASN 52 -2.609 0.477 -9.391 409 HB3 ASN 52 2HB ASN 52 -3.328 2.086 -9.547 410 HD21 ASN 52 1HD2 ASN 52 -1.129 -0.203 -11.060 411 HD22 ASN 52 2HD2 ASN 52 -1.352 0.376 -12.673 412 H LYS 53 H LYS 53 -2.377 4.264 -8.357 413 HA LYS 53 HA LYS 53 -1.460 5.963 -10.429 414 HB2 LYS 53 1HB LYS 53 -2.841 6.357 -7.819 415 HB3 LYS 53 2HB LYS 53 -2.084 7.754 -8.562 416 HG2 LYS 53 1HG LYS 53 -4.463 7.613 -9.097 417 HG3 LYS 53 2HG LYS 53 -3.472 7.475 -10.546 418 HD2 LYS 53 1HD LYS 53 -3.822 5.116 -10.643 419 HD3 LYS 53 2HD LYS 53 -4.595 5.111 -9.056 420 HE2 LYS 53 1HE LYS 53 -6.252 4.954 -10.849 421 HE3 LYS 53 2HE LYS 53 -6.439 6.446 -9.934 422 HZ1 LYS 53 1HZ LYS 53 -4.946 6.298 -12.485 423 HZ2 LYS 53 2HZ LYS 53 -5.468 7.689 -11.669 424 HZ3 LYS 53 3HZ LYS 53 -6.593 6.660 -12.403 425 H MET 54 H MET 54 -0.103 4.921 -7.448 426 HA MET 54 HA MET 54 1.929 6.999 -7.423 427 HB2 MET 54 1HB MET 54 1.316 4.690 -5.588 428 HB3 MET 54 2HB MET 54 2.710 5.744 -5.370 429 HG2 MET 54 1HG MET 54 1.359 7.601 -4.932 430 HG3 MET 54 2HG MET 54 -0.086 6.801 -5.535 431 HE1 MET 54 1HE MET 54 1.849 6.282 -1.414 432 HE2 MET 54 2HE MET 54 2.274 7.469 -2.646 433 HE3 MET 54 3HE MET 54 2.756 5.783 -2.844 434 H GLN 55 H GLN 55 1.479 4.275 -9.116 435 HA GLN 55 HA GLN 55 2.705 2.768 -10.210 436 HB2 GLN 55 1HB GLN 55 4.661 5.004 -9.884 437 HB3 GLN 55 2HB GLN 55 5.126 3.519 -10.729 438 HG2 GLN 55 1HG GLN 55 3.306 3.850 -12.297 439 HG3 GLN 55 2HG GLN 55 2.795 5.286 -11.419 440 HE21 GLN 55 1HE2 GLN 55 3.579 5.036 -14.189 441 HE22 GLN 55 2HE2 GLN 55 4.921 6.106 -14.419 442 H LEU 56 H LEU 56 2.332 1.863 -7.830 443 HA LEU 56 HA LEU 56 4.927 0.950 -6.838 444 HB2 LEU 56 1HB LEU 56 2.713 2.284 -5.463 445 HB3 LEU 56 2HB LEU 56 3.287 0.836 -4.625 446 HG LEU 56 HG LEU 56 4.959 3.214 -5.436 447 HD11 LEU 56 1HD1 LEU 56 3.912 2.343 -2.746 448 HD12 LEU 56 2HD1 LEU 56 3.434 3.784 -3.639 449 HD13 LEU 56 3HD1 LEU 56 5.070 3.638 -3.011 450 HD21 LEU 56 1HD2 LEU 56 5.622 0.715 -3.897 451 HD22 LEU 56 2HD2 LEU 56 6.649 2.147 -3.955 452 HD23 LEU 56 3HD2 LEU 56 6.320 1.239 -5.431 453 H PHE 57 H PHE 57 1.755 0.127 -7.857 454 HA PHE 57 HA PHE 57 2.267 -2.692 -7.238 455 HB2 PHE 57 1HB PHE 57 0.744 -1.995 -5.479 456 HB3 PHE 57 2HB PHE 57 -0.313 -1.214 -6.645 457 HD1 PHE 57 HD1 PHE 57 0.897 -4.486 -5.433 458 HD2 PHE 57 HD2 PHE 57 -1.993 -2.423 -7.782 459 HE1 PHE 57 HE1 PHE 57 -0.435 -6.547 -5.604 460 HE2 PHE 57 HE2 PHE 57 -3.325 -4.480 -7.959 461 HZ PHE 57 HZ PHE 57 -2.548 -6.546 -6.868 462 H ASP 58 H ASP 58 1.678 -4.071 -8.796 463 HA ASP 58 HA ASP 58 0.254 -2.981 -11.138 464 HB2 ASP 58 1HB ASP 58 2.638 -3.481 -11.602 465 HB3 ASP 58 2HB ASP 58 2.393 -5.134 -11.062 466 H ASP 59 H ASP 59 -1.437 -4.205 -11.926 467 HA ASP 59 HA ASP 59 -2.731 -5.848 -9.999 468 HB2 ASP 59 1HB ASP 59 -3.441 -5.343 -12.891 469 HB3 ASP 59 2HB ASP 59 -4.482 -6.116 -11.714 470 H THR 60 H THR 60 -0.549 -6.510 -12.516 471 HA THR 60 HA THR 60 -1.316 -9.323 -12.643 472 HB THR 60 HB THR 60 0.552 -7.640 -14.298 473 HG1 THR 60 HG1 THR 60 -1.002 -7.856 -15.830 474 HG21 THR 60 1HG2 THR 60 0.931 -9.607 -15.691 475 HG22 THR 60 2HG2 THR 60 -0.007 -10.593 -14.569 476 HG23 THR 60 3HG2 THR 60 1.517 -9.871 -14.047 477 H GLU 61 H GLU 61 1.730 -7.459 -12.368 478 HA GLU 61 HA GLU 61 3.151 -9.748 -11.362 479 HB2 GLU 61 1HB GLU 61 4.164 -6.917 -11.415 480 HB3 GLU 61 2HB GLU 61 5.084 -8.415 -11.442 481 HG2 GLU 61 1HG GLU 61 4.306 -8.922 -13.652 482 HG3 GLU 61 2HG GLU 61 3.267 -7.498 -13.642 483 H GLY 62 H GLY 62 1.183 -7.472 -9.878 484 HA2 GLY 62 1HA GLY 62 0.649 -7.344 -7.623 485 HA3 GLY 62 2HA GLY 62 1.992 -8.439 -7.284 486 HA PRO 63 HA PRO 63 3.221 -4.390 -5.436 487 HB2 PRO 63 1HB PRO 63 4.889 -6.282 -3.877 488 HB3 PRO 63 2HB PRO 63 3.834 -4.978 -3.313 489 HG2 PRO 63 1HG PRO 63 3.168 -7.570 -3.045 490 HG3 PRO 63 2HG PRO 63 1.958 -6.306 -3.331 491 HD2 PRO 63 1HD PRO 63 3.087 -8.326 -5.223 492 HD3 PRO 63 2HD PRO 63 1.443 -7.646 -5.140 493 H LEU 64 H LEU 64 4.731 -3.288 -6.479 494 HA LEU 64 HA LEU 64 6.897 -4.664 -7.843 495 HB2 LEU 64 1HB LEU 64 6.335 -1.698 -7.752 496 HB3 LEU 64 2HB LEU 64 7.358 -2.550 -8.889 497 HG LEU 64 HG LEU 64 4.371 -2.909 -8.701 498 HD11 LEU 64 1HD1 LEU 64 6.032 -1.396 -10.712 499 HD12 LEU 64 2HD1 LEU 64 4.922 -0.692 -9.537 500 HD13 LEU 64 3HD1 LEU 64 4.301 -1.709 -10.837 501 HD21 LEU 64 1HD2 LEU 64 6.338 -3.901 -10.753 502 HD22 LEU 64 2HD2 LEU 64 4.597 -4.192 -10.728 503 HD23 LEU 64 3HD2 LEU 64 5.627 -4.881 -9.472 504 H VAL 65 H VAL 65 8.283 -5.355 -6.359 505 HA VAL 65 HA VAL 65 8.910 -4.259 -3.928 506 HB VAL 65 HB VAL 65 10.612 -6.010 -5.678 507 HG11 VAL 65 1HG1 VAL 65 10.884 -5.395 -2.736 508 HG12 VAL 65 2HG1 VAL 65 12.003 -4.908 -4.011 509 HG13 VAL 65 3HG1 VAL 65 11.803 -6.617 -3.617 510 HG21 VAL 65 1HG2 VAL 65 9.753 -7.792 -4.201 511 HG22 VAL 65 2HG2 VAL 65 8.485 -6.998 -5.130 512 HG23 VAL 65 3HG2 VAL 65 8.704 -6.603 -3.426 513 H ASP 66 H ASP 66 10.613 -3.744 -7.011 514 HA ASP 66 HA ASP 66 12.827 -2.387 -5.990 515 HB2 ASP 66 1HB ASP 66 12.663 -3.219 -8.293 516 HB3 ASP 66 2HB ASP 66 11.490 -1.962 -8.664 517 H ASN 67 H ASN 67 9.853 -0.974 -7.373 518 HA ASN 67 HA ASN 67 10.467 1.688 -6.710 519 HB2 ASN 67 1HB ASN 67 7.848 0.304 -7.255 520 HB3 ASN 67 2HB ASN 67 7.958 2.026 -6.922 521 HD21 ASN 67 1HD2 ASN 67 7.139 2.512 -8.957 522 HD22 ASN 67 2HD2 ASN 67 8.102 2.356 -10.388 523 H LEU 68 H LEU 68 8.919 -0.899 -4.955 524 HA LEU 68 HA LEU 68 7.829 0.578 -2.843 525 HB2 LEU 68 1HB LEU 68 8.646 -2.271 -3.201 526 HB3 LEU 68 2HB LEU 68 8.199 -1.696 -1.603 527 HG LEU 68 HG LEU 68 6.397 -1.319 -3.979 528 HD11 LEU 68 1HD1 LEU 68 5.206 -3.327 -3.302 529 HD12 LEU 68 2HD1 LEU 68 6.406 -3.634 -2.046 530 HD13 LEU 68 3HD1 LEU 68 6.868 -3.713 -3.746 531 HD21 LEU 68 1HD2 LEU 68 5.903 -1.404 -1.010 532 HD22 LEU 68 2HD2 LEU 68 4.685 -1.136 -2.258 533 HD23 LEU 68 3HD2 LEU 68 5.967 0.048 -2.008 534 H VAL 69 H VAL 69 11.018 -0.925 -3.199 535 HA VAL 69 HA VAL 69 11.978 -0.150 -0.638 536 HB VAL 69 HB VAL 69 13.523 -0.798 -3.143 537 HG11 VAL 69 1HG1 VAL 69 14.930 0.385 -1.602 538 HG12 VAL 69 2HG1 VAL 69 15.348 -1.327 -1.536 539 HG13 VAL 69 3HG1 VAL 69 14.363 -0.607 -0.259 540 HG21 VAL 69 1HG2 VAL 69 12.797 -2.553 -0.808 541 HG22 VAL 69 2HG2 VAL 69 13.722 -3.026 -2.234 542 HG23 VAL 69 3HG2 VAL 69 12.019 -2.594 -2.391 543 H HIS 70 H HIS 70 12.248 1.299 -3.877 544 HA HIS 70 HA HIS 70 13.922 3.441 -3.117 545 HB2 HIS 70 1HB HIS 70 12.047 3.020 -5.424 546 HB3 HIS 70 2HB HIS 70 12.863 4.564 -5.198 547 HD1 HIS 70 HD1 HIS 70 15.340 4.689 -5.765 548 HD2 HIS 70 HD2 HIS 70 13.771 0.857 -6.102 549 HE1 HIS 70 HE1 HIS 70 17.113 3.332 -6.914 550 HE2 HIS 70 HE2 HIS 70 16.079 1.060 -7.245 551 H GLN 71 H GLN 71 10.566 2.909 -2.715 552 HA GLN 71 HA GLN 71 9.961 5.690 -2.129 553 HB2 GLN 71 1HB GLN 71 8.357 4.258 -3.345 554 HB3 GLN 71 2HB GLN 71 8.253 3.198 -1.954 555 HG2 GLN 71 1HG GLN 71 6.329 4.706 -2.155 556 HG3 GLN 71 2HG GLN 71 7.204 4.904 -0.643 557 HE21 GLN 71 1HE2 GLN 71 8.118 6.816 -0.170 558 HE22 GLN 71 2HE2 GLN 71 7.953 8.233 -1.141 559 H LEU 72 H LEU 72 9.644 2.600 -0.393 560 HA LEU 72 HA LEU 72 9.030 3.818 2.064 561 HB2 LEU 72 1HB LEU 72 9.878 1.013 1.396 562 HB3 LEU 72 2HB LEU 72 9.438 1.520 3.015 563 HG LEU 72 HG LEU 72 7.611 1.697 0.621 564 HD11 LEU 72 1HD1 LEU 72 7.695 -0.321 2.867 565 HD12 LEU 72 2HD1 LEU 72 8.094 -0.629 1.177 566 HD13 LEU 72 3HD1 LEU 72 6.440 -0.211 1.631 567 HD21 LEU 72 1HD2 LEU 72 7.168 2.148 3.568 568 HD22 LEU 72 2HD2 LEU 72 5.872 1.988 2.384 569 HD23 LEU 72 3HD2 LEU 72 7.010 3.330 2.267 570 H ALA 73 H ALA 73 12.087 2.500 0.819 571 HA ALA 73 HA ALA 73 13.476 2.794 3.286 572 HB1 ALA 73 1HB ALA 73 14.108 1.175 1.550 573 HB2 ALA 73 2HB ALA 73 15.450 2.204 2.052 574 HB3 ALA 73 3HB ALA 73 14.624 2.514 0.524 575 H HIS 74 H HIS 74 12.157 5.217 2.445 576 HA HIS 74 HA HIS 74 14.114 7.110 1.570 577 HB2 HIS 74 1HB HIS 74 11.674 7.469 1.248 578 HB3 HIS 74 2HB HIS 74 11.468 7.562 2.995 579 HD1 HIS 74 HD1 HIS 74 11.413 9.852 3.895 580 HD2 HIS 74 HD2 HIS 74 13.495 9.668 0.296 581 HE1 HIS 74 HE1 HIS 74 12.015 12.227 3.337 582 HE2 HIS 74 HE2 HIS 74 13.104 12.103 1.072 583 H GLY 75 H GLY 75 15.854 6.610 2.999 584 HA2 GLY 75 1HA GLY 75 17.098 7.683 4.728 585 HA3 GLY 75 2HA GLY 75 15.593 7.971 5.588 586 H ARG 76 H ARG 76 16.270 4.858 4.183 587 HA ARG 76 HA ARG 76 17.321 3.806 6.678 588 HB2 ARG 76 1HB ARG 76 14.602 3.223 5.670 589 HB3 ARG 76 2HB ARG 76 15.525 1.848 6.263 590 HG2 ARG 76 1HG ARG 76 15.914 3.309 8.347 591 HG3 ARG 76 2HG ARG 76 14.560 4.261 7.741 592 HD2 ARG 76 1HD ARG 76 13.264 2.102 7.624 593 HD3 ARG 76 2HD ARG 76 14.582 1.358 8.519 594 HE ARG 76 HE ARG 76 13.739 3.645 9.896 595 HH11 ARG 76 1HH1 ARG 76 12.633 0.417 9.130 596 HH12 ARG 76 2HH1 ARG 76 11.585 0.313 10.507 597 HH21 ARG 76 1HH2 ARG 76 12.372 3.515 11.711 598 HH22 ARG 76 2HH2 ARG 76 11.434 2.078 11.980 599 H ASP 77 H ASP 77 18.021 1.547 6.463 600 HA ASP 77 HA ASP 77 19.516 1.055 4.148 601 HB2 ASP 77 1HB ASP 77 18.674 -0.824 6.361 602 HB3 ASP 77 2HB ASP 77 19.866 -1.213 5.123 603 H ALA 78 H ALA 78 18.794 0.606 2.259 604 HA ALA 78 HA ALA 78 16.192 -0.107 1.585 605 HB1 ALA 78 1HB ALA 78 17.775 1.017 0.098 606 HB2 ALA 78 2HB ALA 78 17.046 -0.399 -0.657 607 HB3 ALA 78 3HB ALA 78 18.696 -0.480 -0.040 608 H GLU 79 H GLU 79 19.046 -2.121 2.056 609 HA GLU 79 HA GLU 79 18.098 -4.519 0.980 610 HB2 GLU 79 1HB GLU 79 20.048 -3.985 3.216 611 HB3 GLU 79 2HB GLU 79 19.718 -5.603 2.609 612 HG2 GLU 79 1HG GLU 79 20.432 -4.864 0.365 613 HG3 GLU 79 2HG GLU 79 20.857 -3.297 1.047 614 H GLU 80 H GLU 80 17.807 -3.240 4.271 615 HA GLU 80 HA GLU 80 16.408 -5.461 5.326 616 HB2 GLU 80 1HB GLU 80 17.551 -3.864 6.760 617 HB3 GLU 80 2HB GLU 80 16.480 -2.577 6.226 618 HG2 GLU 80 1HG GLU 80 14.604 -3.645 7.273 619 HG3 GLU 80 2HG GLU 80 15.578 -5.047 7.681 620 H VAL 81 H VAL 81 15.375 -2.349 4.006 621 HA VAL 81 HA VAL 81 12.630 -2.583 4.395 622 HB VAL 81 HB VAL 81 14.126 -1.161 2.196 623 HG11 VAL 81 1HG1 VAL 81 11.820 -1.449 1.520 624 HG12 VAL 81 2HG1 VAL 81 12.091 0.229 1.994 625 HG13 VAL 81 3HG1 VAL 81 11.261 -0.877 3.091 626 HG21 VAL 81 1HG2 VAL 81 14.795 -0.384 4.324 627 HG22 VAL 81 2HG2 VAL 81 13.127 -0.318 4.893 628 HG23 VAL 81 3HG2 VAL 81 13.683 0.804 3.652 629 H ARG 82 H ARG 82 14.554 -3.474 1.519 630 HA ARG 82 HA ARG 82 12.562 -4.499 -0.101 631 HB2 ARG 82 1HB ARG 82 14.980 -4.193 -0.683 632 HB3 ARG 82 2HB ARG 82 15.328 -5.659 0.223 633 HG2 ARG 82 1HG ARG 82 13.717 -6.845 -1.293 634 HG3 ARG 82 2HG ARG 82 13.704 -5.383 -2.275 635 HD2 ARG 82 1HD ARG 82 16.156 -5.547 -2.482 636 HD3 ARG 82 2HD ARG 82 16.102 -7.068 -1.599 637 HE ARG 82 HE ARG 82 14.468 -6.921 -3.997 638 HH11 ARG 82 1HH1 ARG 82 17.480 -7.946 -2.532 639 HH12 ARG 82 2HH1 ARG 82 17.866 -9.058 -3.808 640 HH21 ARG 82 1HH2 ARG 82 14.971 -8.391 -5.667 641 HH22 ARG 82 2HH2 ARG 82 16.442 -9.307 -5.592 642 H THR 83 H THR 83 14.362 -6.043 2.493 643 HA THR 83 HA THR 83 13.416 -8.659 2.133 644 HB THR 83 HB THR 83 14.534 -7.201 4.521 645 HG1 THR 83 HG1 THR 83 16.176 -7.510 3.186 646 HG21 THR 83 1HG2 THR 83 13.154 -9.023 5.362 647 HG22 THR 83 2HG2 THR 83 14.866 -9.400 5.572 648 HG23 THR 83 3HG2 THR 83 13.950 -10.154 4.266 649 H GLU 84 H GLU 84 12.411 -6.144 4.459 650 HA GLU 84 HA GLU 84 10.306 -7.522 5.635 651 HB2 GLU 84 1HB GLU 84 10.461 -4.540 5.187 652 HB3 GLU 84 2HB GLU 84 9.507 -5.371 6.405 653 HG2 GLU 84 1HG GLU 84 11.773 -6.298 7.201 654 HG3 GLU 84 2HG GLU 84 12.456 -4.964 6.270 655 H VAL 85 H VAL 85 10.283 -5.434 2.756 656 HA VAL 85 HA VAL 85 7.538 -5.506 2.235 657 HB VAL 85 HB VAL 85 9.924 -5.245 0.411 658 HG11 VAL 85 1HG1 VAL 85 7.008 -5.071 -0.337 659 HG12 VAL 85 2HG1 VAL 85 8.163 -6.281 -0.897 660 HG13 VAL 85 3HG1 VAL 85 8.356 -4.590 -1.370 661 HG21 VAL 85 1HG2 VAL 85 7.816 -3.307 1.351 662 HG22 VAL 85 2HG2 VAL 85 9.135 -2.930 0.240 663 HG23 VAL 85 3HG2 VAL 85 9.490 -3.389 1.905 664 H LEU 86 H LEU 86 10.129 -7.641 1.033 665 HA LEU 86 HA LEU 86 8.592 -9.286 -0.582 666 HB2 LEU 86 1HB LEU 86 11.121 -9.837 0.960 667 HB3 LEU 86 2HB LEU 86 10.415 -10.984 -0.178 668 HG LEU 86 HG LEU 86 11.179 -8.187 -0.967 669 HD11 LEU 86 1HD1 LEU 86 12.834 -10.699 -1.161 670 HD12 LEU 86 2HD1 LEU 86 13.153 -9.328 -0.098 671 HD13 LEU 86 3HD1 LEU 86 13.248 -9.128 -1.848 672 HD21 LEU 86 1HD2 LEU 86 11.228 -9.228 -3.213 673 HD22 LEU 86 2HD2 LEU 86 9.633 -9.256 -2.463 674 HD23 LEU 86 3HD2 LEU 86 10.617 -10.719 -2.495 675 H LYS 87 H LYS 87 9.053 -9.350 2.880 676 HA LYS 87 HA LYS 87 8.006 -11.971 3.300 677 HB2 LYS 87 1HB LYS 87 8.412 -9.619 5.145 678 HB3 LYS 87 2HB LYS 87 7.766 -11.161 5.693 679 HG2 LYS 87 1HG LYS 87 9.800 -12.289 5.025 680 HG3 LYS 87 2HG LYS 87 10.451 -10.773 4.379 681 HD2 LYS 87 1HD LYS 87 10.449 -9.803 6.602 682 HD3 LYS 87 2HD LYS 87 9.713 -11.265 7.264 683 HE2 LYS 87 1HE LYS 87 12.407 -11.128 5.916 684 HE3 LYS 87 2HE LYS 87 12.145 -11.156 7.659 685 HZ1 LYS 87 1HZ LYS 87 11.133 -13.328 7.450 686 HZ2 LYS 87 2HZ LYS 87 12.686 -13.349 6.780 687 HZ3 LYS 87 3HZ LYS 87 11.330 -13.300 5.770 688 H CYS 88 H CYS 88 6.585 -9.015 2.527 689 HA CYS 88 HA CYS 88 3.968 -9.906 3.520 690 HB2 CYS 88 1HB CYS 88 5.120 -7.198 2.966 691 HB3 CYS 88 2HB CYS 88 3.361 -7.432 2.915 692 H VAL 89 H VAL 89 5.858 -9.801 0.786 693 HA VAL 89 HA VAL 89 3.781 -9.330 -1.144 694 HB VAL 89 HB VAL 89 6.558 -10.463 -1.486 695 HG11 VAL 89 1HG1 VAL 89 6.209 -9.963 -3.887 696 HG12 VAL 89 2HG1 VAL 89 4.521 -9.600 -3.527 697 HG13 VAL 89 3HG1 VAL 89 5.144 -11.230 -3.279 698 HG21 VAL 89 1HG2 VAL 89 7.069 -8.256 -2.452 699 HG22 VAL 89 2HG2 VAL 89 6.610 -8.163 -0.753 700 HG23 VAL 89 3HG2 VAL 89 5.452 -7.709 -2.006 701 H ASP 90 H ASP 90 2.174 -10.750 -1.005 702 HA ASP 90 HA ASP 90 2.801 -13.612 -0.981 703 HB2 ASP 90 1HB ASP 90 0.348 -12.064 -0.201 704 HB3 ASP 90 2HB ASP 90 0.240 -13.785 -0.578 705 H LYS 91 H LYS 91 1.103 -14.933 -2.211 706 HA LYS 91 HA LYS 91 1.127 -13.959 -4.967 707 HB2 LYS 91 1HB LYS 91 0.319 -16.714 -4.065 708 HB3 LYS 91 2HB LYS 91 0.935 -16.200 -5.633 709 HG2 LYS 91 1HG LYS 91 3.100 -15.675 -4.518 710 HG3 LYS 91 2HG LYS 91 2.468 -16.457 -3.072 711 HD2 LYS 91 1HD LYS 91 2.155 -18.530 -4.342 712 HD3 LYS 91 2HD LYS 91 2.799 -17.740 -5.781 713 HE2 LYS 91 1HE LYS 91 4.919 -17.351 -4.569 714 HE3 LYS 91 2HE LYS 91 4.266 -18.240 -3.195 715 HZ1 LYS 91 1HZ LYS 91 5.678 -19.630 -4.579 716 HZ2 LYS 91 2HZ LYS 91 4.683 -19.350 -5.916 717 HZ3 LYS 91 3HZ LYS 91 4.086 -20.199 -4.584 718 H ASN 92 H ASN 92 -0.737 -14.333 -6.331 719 HA ASN 92 HA ASN 92 -3.103 -13.283 -5.075 720 HB2 ASN 92 1HB ASN 92 -2.278 -12.541 -7.321 721 HB3 ASN 92 2HB ASN 92 -2.707 -14.126 -7.946 722 HD21 ASN 92 1HD2 ASN 92 -4.075 -13.022 -9.426 723 HD22 ASN 92 2HD2 ASN 92 -5.641 -12.464 -8.940 724 H THR 93 H THR 93 -3.272 -15.264 -3.710 725 HA THR 93 HA THR 93 -4.423 -17.593 -4.989 726 HB THR 93 HB THR 93 -4.687 -18.437 -2.672 727 HG1 THR 93 HG1 THR 93 -4.967 -16.586 -1.467 728 HG21 THR 93 1HG2 THR 93 -2.283 -18.573 -2.146 729 HG22 THR 93 2HG2 THR 93 -1.972 -17.324 -3.353 730 HG23 THR 93 3HG2 THR 93 -2.630 -18.886 -3.845 731 H ASP 94 H ASP 94 -5.484 -14.628 -3.655 732 HA ASP 94 HA ASP 94 -8.134 -15.514 -2.950 733 HB2 ASP 94 1HB ASP 94 -7.034 -12.712 -3.283 734 HB3 ASP 94 2HB ASP 94 -8.624 -13.108 -2.623 735 H ASN 95 H ASN 95 -6.539 -14.642 -5.775 736 HA ASN 95 HA ASN 95 -7.135 -14.331 -7.922 737 HB2 ASN 95 1HB ASN 95 -8.401 -16.421 -7.486 738 HB3 ASN 95 2HB ASN 95 -9.802 -15.459 -7.062 739 HD21 ASN 95 1HD2 ASN 95 -11.018 -16.405 -8.669 740 HD22 ASN 95 2HD2 ASN 95 -10.789 -16.026 -10.348 741 H ASN 96 H ASN 96 -7.523 -12.249 -5.944 742 HA ASN 96 HA ASN 96 -9.315 -10.533 -7.456 743 HB2 ASN 96 1HB ASN 96 -10.827 -11.351 -5.791 744 HB3 ASN 96 2HB ASN 96 -9.643 -11.122 -4.505 745 HD21 ASN 96 1HD2 ASN 96 -11.870 -9.566 -6.673 746 HD22 ASN 96 2HD2 ASN 96 -11.927 -8.051 -5.839 747 H ALA 97 H ALA 97 -8.226 -8.753 -7.870 748 HA ALA 97 HA ALA 97 -5.664 -8.260 -6.827 749 HB1 ALA 97 1HB ALA 97 -6.344 -7.605 -9.078 750 HB2 ALA 97 2HB ALA 97 -5.710 -6.230 -8.173 751 HB3 ALA 97 3HB ALA 97 -7.449 -6.412 -8.399 752 H CYS 98 H CYS 98 -8.823 -7.035 -5.899 753 HA CYS 98 HA CYS 98 -7.885 -4.790 -4.441 754 HB2 CYS 98 1HB CYS 98 -10.451 -6.338 -4.028 755 HB3 CYS 98 2HB CYS 98 -10.094 -4.737 -3.388 756 H HIS 99 H HIS 99 -8.630 -8.129 -3.428 757 HA HIS 99 HA HIS 99 -7.947 -7.550 -0.691 758 HB2 HIS 99 1HB HIS 99 -9.566 -9.370 -1.460 759 HB3 HIS 99 2HB HIS 99 -8.151 -10.295 -1.942 760 HD1 HIS 99 HD1 HIS 99 -6.843 -11.506 -0.120 761 HD2 HIS 99 HD2 HIS 99 -9.871 -9.054 1.371 762 HE1 HIS 99 HE1 HIS 99 -7.020 -12.042 2.331 763 HE2 HIS 99 HE2 HIS 99 -8.774 -10.479 3.232 764 H TRP 100 H TRP 100 -6.297 -8.631 -3.522 765 HA TRP 100 HA TRP 100 -4.041 -9.807 -2.292 766 HB2 TRP 100 1HB TRP 100 -4.669 -10.156 -4.666 767 HB3 TRP 100 2HB TRP 100 -4.216 -8.487 -5.015 768 HD1 TRP 100 HD1 TRP 100 -1.800 -10.016 -2.651 769 HE1 TRP 100 HE1 TRP 100 0.337 -10.719 -3.884 770 HE3 TRP 100 HE3 TRP 100 -3.462 -9.576 -7.460 771 HZ2 TRP 100 HZ2 TRP 100 1.205 -11.068 -6.549 772 HZ3 TRP 100 HZ3 TRP 100 -1.923 -10.119 -9.295 773 HH2 TRP 100 HH2 TRP 100 0.363 -10.849 -8.855 774 H ALA 101 H ALA 101 -4.423 -6.606 -3.817 775 HA ALA 101 HA ALA 101 -1.929 -5.589 -3.019 776 HB1 ALA 101 1HB ALA 101 -2.883 -3.386 -3.569 777 HB2 ALA 101 2HB ALA 101 -4.481 -4.126 -3.677 778 HB3 ALA 101 3HB ALA 101 -3.217 -4.590 -4.815 779 H PHE 102 H PHE 102 -5.069 -5.643 -1.490 780 HA PHE 102 HA PHE 102 -4.484 -3.835 0.588 781 HB2 PHE 102 1HB PHE 102 -6.759 -4.417 -0.114 782 HB3 PHE 102 2HB PHE 102 -6.546 -6.042 0.525 783 HD1 PHE 102 HD1 PHE 102 -6.436 -2.470 1.537 784 HD2 PHE 102 HD2 PHE 102 -7.196 -6.487 2.719 785 HE1 PHE 102 HE1 PHE 102 -7.262 -1.669 3.713 786 HE2 PHE 102 HE2 PHE 102 -8.022 -5.696 4.896 787 HZ PHE 102 HZ PHE 102 -8.053 -3.282 5.397 788 H ARG 103 H ARG 103 -4.022 -7.280 0.163 789 HA ARG 103 HA ARG 103 -3.484 -7.924 2.877 790 HB2 ARG 103 1HB ARG 103 -4.082 -9.617 1.157 791 HB3 ARG 103 2HB ARG 103 -2.529 -9.328 0.385 792 HG2 ARG 103 1HG ARG 103 -1.349 -10.133 2.313 793 HG3 ARG 103 2HG ARG 103 -2.859 -10.296 3.204 794 HD2 ARG 103 1HD ARG 103 -3.611 -12.034 1.700 795 HD3 ARG 103 2HD ARG 103 -2.194 -11.813 0.676 796 HE ARG 103 HE ARG 103 -1.085 -12.419 3.042 797 HH11 ARG 103 1HH1 ARG 103 -3.692 -13.924 1.264 798 HH12 ARG 103 2HH1 ARG 103 -3.321 -15.523 1.811 799 HH21 ARG 103 1HH2 ARG 103 -0.590 -14.532 3.773 800 HH22 ARG 103 2HH2 ARG 103 -1.556 -15.870 3.240 801 H GLY 104 H GLY 104 -1.450 -7.056 0.117 802 HA2 GLY 104 1HA GLY 104 1.051 -7.349 1.393 803 HA3 GLY 104 2HA GLY 104 0.723 -6.312 -0.001 804 H PHE 105 H PHE 105 -1.003 -4.482 0.974 805 HA PHE 105 HA PHE 105 0.691 -2.685 2.307 806 HB2 PHE 105 1HB PHE 105 -0.951 -1.764 0.884 807 HB3 PHE 105 2HB PHE 105 -2.241 -2.660 1.666 808 HD1 PHE 105 HD1 PHE 105 -3.724 -1.199 2.674 809 HD2 PHE 105 HD2 PHE 105 0.454 -0.408 2.917 810 HE1 PHE 105 HE1 PHE 105 -4.182 0.754 4.088 811 HE2 PHE 105 HE2 PHE 105 -0.006 1.555 4.330 812 HZ PHE 105 HZ PHE 105 -2.322 2.136 4.919 813 H LYS 106 H LYS 106 -2.065 -4.591 3.417 814 HA LYS 106 HA LYS 106 -2.204 -3.478 5.995 815 HB2 LYS 106 1HB LYS 106 -4.162 -4.493 5.417 816 HB3 LYS 106 2HB LYS 106 -3.378 -5.867 4.647 817 HG2 LYS 106 1HG LYS 106 -2.797 -6.697 6.920 818 HG3 LYS 106 2HG LYS 106 -3.752 -5.365 7.589 819 HD2 LYS 106 1HD LYS 106 -5.732 -6.183 6.438 820 HD3 LYS 106 2HD LYS 106 -4.794 -7.484 5.709 821 HE2 LYS 106 1HE LYS 106 -4.304 -8.322 8.005 822 HE3 LYS 106 2HE LYS 106 -5.407 -7.097 8.636 823 HZ1 LYS 106 1HZ LYS 106 -6.475 -9.257 8.376 824 HZ2 LYS 106 2HZ LYS 106 -6.145 -9.238 6.718 825 HZ3 LYS 106 3HZ LYS 106 -7.201 -8.094 7.383 826 H CYS 107 H CYS 107 -0.617 -6.386 4.744 827 HA CYS 107 HA CYS 107 0.310 -7.449 7.142 828 HB2 CYS 107 1HB CYS 107 0.446 -8.801 5.206 829 HB3 CYS 107 2HB CYS 107 1.347 -7.587 4.308 830 H PHE 108 H PHE 108 1.683 -5.012 5.003 831 HA PHE 108 HA PHE 108 4.204 -4.930 6.325 832 HB2 PHE 108 1HB PHE 108 3.714 -4.343 3.904 833 HB3 PHE 108 2HB PHE 108 3.085 -2.811 4.510 834 HD1 PHE 108 HD1 PHE 108 4.591 -1.136 5.430 835 HD2 PHE 108 HD2 PHE 108 6.061 -4.856 3.971 836 HE1 PHE 108 HE1 PHE 108 6.878 -0.231 5.429 837 HE2 PHE 108 HE2 PHE 108 8.344 -3.955 3.971 838 HZ PHE 108 HZ PHE 108 8.757 -1.642 4.695 839 H GLN 109 H GLN 109 1.454 -2.656 6.175 840 HA GLN 109 HA GLN 109 2.556 -0.755 7.914 841 HB2 GLN 109 1HB GLN 109 0.347 0.206 8.036 842 HB3 GLN 109 2HB GLN 109 0.678 -0.295 6.385 843 HG2 GLN 109 1HG GLN 109 -1.352 -1.205 6.473 844 HG3 GLN 109 2HG GLN 109 -0.577 -2.492 7.404 845 HE21 GLN 109 1HE2 GLN 109 -3.321 -1.547 7.503 846 HE22 GLN 109 2HE2 GLN 109 -3.603 -1.054 9.134 847 H LYS 110 H LYS 110 0.919 -3.737 8.536 848 HA LYS 110 HA LYS 110 -0.030 -3.275 11.134 849 HB2 LYS 110 1HB LYS 110 -0.266 -5.316 9.435 850 HB3 LYS 110 2HB LYS 110 1.051 -5.960 10.391 851 HG2 LYS 110 1HG LYS 110 -1.609 -5.106 11.489 852 HG3 LYS 110 2HG LYS 110 -1.133 -6.758 11.113 853 HD2 LYS 110 1HD LYS 110 0.642 -6.639 12.773 854 HD3 LYS 110 2HD LYS 110 0.212 -4.964 13.127 855 HE2 LYS 110 1HE LYS 110 -1.540 -7.383 13.535 856 HE3 LYS 110 2HE LYS 110 -0.721 -6.469 14.799 857 HZ1 LYS 110 1HZ LYS 110 -3.055 -5.853 14.595 858 HZ2 LYS 110 2HZ LYS 110 -2.815 -5.391 12.989 859 HZ3 LYS 110 3HZ LYS 110 -2.048 -4.544 14.236 860 H ASN 111 H ASN 111 3.116 -4.174 9.897 861 HA ASN 111 HA ASN 111 4.158 -4.345 12.643 862 HB2 ASN 111 1HB ASN 111 5.358 -5.399 10.073 863 HB3 ASN 111 2HB ASN 111 6.055 -5.566 11.682 864 HD21 ASN 111 1HD2 ASN 111 3.523 -6.622 9.528 865 HD22 ASN 111 2HD2 ASN 111 3.043 -7.997 10.462 866 H ASN 112 H ASN 112 4.273 -2.542 9.710 867 HA ASN 112 HA ASN 112 6.433 -0.862 10.769 868 HB2 ASN 112 1HB ASN 112 6.384 -2.183 8.050 869 HB3 ASN 112 2HB ASN 112 7.434 -0.817 8.456 870 HD21 ASN 112 1HD2 ASN 112 7.793 -3.784 7.801 871 HD22 ASN 112 2HD2 ASN 112 8.937 -4.301 8.993 872 H LEU 113 H LEU 113 4.287 0.377 11.093 873 HA LEU 113 HA LEU 113 3.305 1.609 8.653 874 HB2 LEU 113 1HB LEU 113 1.649 1.061 10.289 875 HB3 LEU 113 2HB LEU 113 2.500 1.948 11.534 876 HG LEU 113 HG LEU 113 2.026 4.047 10.259 877 HD11 LEU 113 1HD1 LEU 113 0.277 2.229 8.614 878 HD12 LEU 113 2HD1 LEU 113 1.750 3.017 8.057 879 HD13 LEU 113 3HD1 LEU 113 0.346 3.988 8.504 880 HD21 LEU 113 1HD2 LEU 113 -0.330 4.152 10.908 881 HD22 LEU 113 2HD2 LEU 113 0.637 3.347 12.144 882 HD23 LEU 113 3HD2 LEU 113 -0.368 2.394 11.054 883 H SER 114 H SER 114 5.426 2.294 11.293 884 HA SER 114 HA SER 114 5.570 5.093 11.111 885 HB2 SER 114 1HB SER 114 7.800 3.199 11.899 886 HB3 SER 114 2HB SER 114 7.637 4.894 12.357 887 HG SER 114 HG SER 114 5.754 4.344 13.516 888 H LEU 115 H LEU 115 7.305 2.538 9.377 889 HA LEU 115 HA LEU 115 9.106 4.218 8.007 890 HB2 LEU 115 1HB LEU 115 9.374 1.783 8.187 891 HB3 LEU 115 2HB LEU 115 7.971 1.556 7.162 892 HG LEU 115 HG LEU 115 9.164 2.678 5.313 893 HD11 LEU 115 1HD1 LEU 115 11.635 2.967 5.590 894 HD12 LEU 115 2HD1 LEU 115 11.388 2.760 7.326 895 HD13 LEU 115 3HD1 LEU 115 10.640 4.115 6.486 896 HD21 LEU 115 1HD2 LEU 115 10.702 0.861 4.827 897 HD22 LEU 115 2HD2 LEU 115 9.214 0.238 5.537 898 HD23 LEU 115 3HD2 LEU 115 10.673 0.361 6.517 899 H ILE 116 H ILE 116 5.818 3.218 7.381 900 HA ILE 116 HA ILE 116 5.663 4.079 4.695 901 HB ILE 116 HB ILE 116 3.465 3.729 6.749 902 HG12 ILE 116 1HG1 ILE 116 4.570 1.857 4.637 903 HG13 ILE 116 2HG1 ILE 116 4.736 1.680 6.390 904 HG21 ILE 116 1HG2 ILE 116 1.950 3.541 4.838 905 HG22 ILE 116 2HG2 ILE 116 3.285 3.901 3.744 906 HG23 ILE 116 3HG2 ILE 116 2.729 5.126 4.885 907 HD11 ILE 116 1HD1 ILE 116 2.251 1.430 4.730 908 HD12 ILE 116 2HD1 ILE 116 2.237 1.520 6.489 909 HD13 ILE 116 3HD1 ILE 116 3.053 0.182 5.680 910 H LYS 117 H LYS 117 4.961 5.615 7.784 911 HA LYS 117 HA LYS 117 3.931 8.036 6.782 912 HB2 LYS 117 1HB LYS 117 5.224 7.277 9.388 913 HB3 LYS 117 2HB LYS 117 4.636 8.905 9.078 914 HG2 LYS 117 1HG LYS 117 2.390 8.104 8.803 915 HG3 LYS 117 2HG LYS 117 2.921 6.427 8.899 916 HD2 LYS 117 1HD LYS 117 3.543 6.692 11.201 917 HD3 LYS 117 2HD LYS 117 3.263 8.429 11.130 918 HE2 LYS 117 1HE LYS 117 1.127 6.343 10.716 919 HE3 LYS 117 2HE LYS 117 1.450 7.138 12.255 920 HZ1 LYS 117 1HZ LYS 117 -0.357 8.212 11.100 921 HZ2 LYS 117 2HZ LYS 117 0.616 8.488 9.746 922 HZ3 LYS 117 3HZ LYS 117 0.961 9.266 11.206 923 H ALA 118 H ALA 118 7.201 7.031 7.693 924 HA ALA 118 HA ALA 118 8.437 9.546 7.186 925 HB1 ALA 118 1HB ALA 118 9.632 6.790 7.290 926 HB2 ALA 118 2HB ALA 118 9.395 7.865 8.667 927 HB3 ALA 118 3HB ALA 118 10.521 8.311 7.384 928 H SER 119 H SER 119 7.744 6.730 5.263 929 HA SER 119 HA SER 119 9.386 7.145 3.069 930 HB2 SER 119 1HB SER 119 8.090 5.093 3.430 931 HB3 SER 119 2HB SER 119 6.594 5.975 3.132 932 HG SER 119 HG SER 119 8.715 5.580 1.286 933 H ILE 120 H ILE 120 6.116 8.375 3.678 934 HA ILE 120 HA ILE 120 6.155 9.844 1.165 935 HB ILE 120 HB ILE 120 3.826 10.479 1.777 936 HG12 ILE 120 1HG1 ILE 120 4.144 8.523 4.048 937 HG13 ILE 120 2HG1 ILE 120 4.245 10.269 4.264 938 HG21 ILE 120 1HG2 ILE 120 4.221 8.556 0.381 939 HG22 ILE 120 2HG2 ILE 120 2.887 8.218 1.486 940 HG23 ILE 120 3HG2 ILE 120 4.487 7.548 1.804 941 HD11 ILE 120 1HD1 ILE 120 1.867 8.764 3.207 942 HD12 ILE 120 2HD1 ILE 120 1.972 10.507 3.446 943 HD13 ILE 120 3HD1 ILE 120 2.045 9.423 4.831 944 H LYS 121 H LYS 121 7.352 10.409 4.153 945 HA LYS 121 HA LYS 121 6.451 13.106 4.547 946 HB2 LYS 121 1HB LYS 121 7.143 11.652 6.418 947 HB3 LYS 121 2HB LYS 121 8.784 11.639 5.788 948 HG2 LYS 121 1HG LYS 121 8.871 14.095 6.089 949 HG3 LYS 121 2HG LYS 121 7.266 14.026 6.817 950 HD2 LYS 121 1HD LYS 121 8.122 12.557 8.573 951 HD3 LYS 121 2HD LYS 121 9.729 12.620 7.847 952 HE2 LYS 121 1HE LYS 121 8.184 14.935 9.004 953 HE3 LYS 121 2HE LYS 121 9.596 14.159 9.714 954 HZ1 LYS 121 1HZ LYS 121 9.540 15.654 7.150 955 HZ2 LYS 121 2HZ LYS 121 10.895 14.884 7.798 956 HZ3 LYS 121 3HZ LYS 121 10.207 16.198 8.602 957 H LYS 122 H LYS 122 7.141 14.787 3.439 958 HA LYS 122 HA LYS 122 9.433 14.607 1.731 959 HB2 LYS 122 1HB LYS 122 8.634 17.288 1.817 960 HB3 LYS 122 2HB LYS 122 8.247 16.113 0.575 961 HG2 LYS 122 1HG LYS 122 6.205 17.072 1.229 962 HG3 LYS 122 2HG LYS 122 6.246 15.489 2.003 963 HD2 LYS 122 1HD LYS 122 5.448 17.056 3.617 964 HD3 LYS 122 2HD LYS 122 7.095 16.620 4.073 965 HE2 LYS 122 1HE LYS 122 6.898 18.972 4.338 966 HE3 LYS 122 2HE LYS 122 7.870 18.698 2.897 967 HZ1 LYS 122 1HZ LYS 122 6.340 20.377 2.357 968 HZ2 LYS 122 2HZ LYS 122 5.040 19.552 3.049 969 HZ3 LYS 122 3HZ LYS 122 5.730 18.984 1.613 970 H ASP 123 H ASP 123 11.427 15.365 2.073 971 HA ASP 123 HA ASP 123 12.240 16.142 4.673 972 HB2 ASP 123 1HB ASP 123 13.751 14.982 3.113 973 HB3 ASP 123 2HB ASP 123 13.756 16.399 2.068 974 H21 ACD 201 H21 ACD 1 -4.647 4.643 1.187 975 H22 ACD 201 H22 ACD 1 -3.626 4.641 2.631 976 H31 ACD 201 H31 ACD 1 -2.046 6.198 1.447 977 H32 ACD 201 H32 ACD 1 -3.030 6.054 -0.003 978 H41 ACD 201 H41 ACD 1 -2.644 3.542 0.078 979 H42 ACD 201 H42 ACD 1 -1.187 4.506 -0.225 980 H5 ACD 201 H5 ACD 1 -1.805 2.907 2.298 981 H6 ACD 201 H6 ACD 1 0.382 3.651 2.940 982 H71 ACD 201 H71 ACD 1 0.782 4.861 0.304 983 H72 ACD 201 H72 ACD 1 -0.135 6.040 1.236 984 H8 ACD 201 H8 ACD 1 1.759 6.333 2.824 985 H9 ACD 201 H9 ACD 1 3.874 5.489 2.115 986 H101 ACD 201 H101 ACD 1 2.798 4.772 -0.477 987 H102 ACD 201 H102 ACD 1 2.337 3.430 0.577 988 H11 ACD 201 H11 ACD 1 5.297 4.333 0.448 989 H12 ACD 201 H12 ACD 1 5.625 2.002 0.117 990 H131 ACD 201 H131 ACD 1 2.650 2.015 -0.556 991 H132 ACD 201 H132 ACD 1 3.747 0.633 -0.642 992 H14 ACD 201 H14 ACD 1 2.627 1.729 2.038 993 H15 ACD 201 H15 ACD 1 2.532 -0.603 2.518 994 H161 ACD 201 H161 ACD 1 2.743 -1.301 -0.293 995 H162 ACD 201 H162 ACD 1 4.400 -0.936 0.199 996 H171 ACD 201 H171 ACD 1 4.366 -2.628 1.911 997 H172 ACD 201 H172 ACD 1 2.621 -2.856 1.743 998 H181 ACD 201 H181 ACD 1 4.659 -3.447 -0.448 999 H182 ACD 201 H182 ACD 1 2.923 -3.757 -0.531 1000 H191 ACD 201 H191 ACD 1 4.904 -5.043 1.400 1001 H192 ACD 201 H192 ACD 1 3.156 -5.284 1.474 1002 H201 ACD 201 H201 ACD 1 4.231 -7.104 0.241 1003 H202 ACD 201 H202 ACD 1 4.934 -5.982 -0.875 1004 H203 ACD 201 H203 ACD 1 3.218 -6.197 -0.830 Start of MODEL 5 1 H1 MET 1 1H MET 1 12.898 12.073 -18.015 2 H2 MET 1 2H MET 1 11.496 12.982 -18.262 3 H3 MET 1 3H MET 1 11.850 11.683 -19.281 4 HA MET 1 HA MET 1 10.126 11.082 -17.744 5 HB2 MET 1 1HB MET 1 12.800 9.769 -17.257 6 HB3 MET 1 2HB MET 1 11.282 9.121 -16.654 7 HG2 MET 1 1HG MET 1 10.469 8.954 -18.969 8 HG3 MET 1 2HG MET 1 12.032 9.532 -19.538 9 HE1 MET 1 1HE MET 1 11.312 7.065 -16.521 10 HE2 MET 1 2HE MET 1 11.361 5.517 -17.364 11 HE3 MET 1 3HE MET 1 10.088 6.681 -17.729 12 H GLU 2 H GLU 2 13.118 11.236 -15.822 13 HA GLU 2 HA GLU 2 13.556 11.898 -13.706 14 HB2 GLU 2 1HB GLU 2 11.043 13.525 -14.033 15 HB3 GLU 2 2HB GLU 2 12.110 13.616 -12.641 16 HG2 GLU 2 1HG GLU 2 12.913 14.214 -15.471 17 HG3 GLU 2 2HG GLU 2 12.481 15.423 -14.261 18 H PHE 3 H PHE 3 13.467 10.236 -12.388 19 HA PHE 3 HA PHE 3 11.103 8.767 -11.854 20 HB2 PHE 3 1HB PHE 3 13.327 7.745 -11.640 21 HB3 PHE 3 2HB PHE 3 13.688 8.811 -10.276 22 HD1 PHE 3 HD1 PHE 3 12.907 8.294 -8.095 23 HD2 PHE 3 HD2 PHE 3 11.570 6.030 -11.435 24 HE1 PHE 3 HE1 PHE 3 11.910 6.642 -6.566 25 HE2 PHE 3 HE2 PHE 3 10.567 4.372 -9.917 26 HZ PHE 3 HZ PHE 3 10.737 4.678 -7.478 27 H THR 4 H THR 4 9.458 9.641 -10.871 28 HA THR 4 HA THR 4 9.917 11.664 -8.802 29 HB THR 4 HB THR 4 7.142 11.231 -9.576 30 HG1 THR 4 HG1 THR 4 9.126 11.603 -11.555 31 HG21 THR 4 1HG2 THR 4 9.017 13.586 -9.664 32 HG22 THR 4 2HG2 THR 4 7.884 13.181 -8.374 33 HG23 THR 4 3HG2 THR 4 7.281 13.664 -9.960 34 H VAL 5 H VAL 5 9.776 11.087 -6.774 35 HA VAL 5 HA VAL 5 8.289 8.683 -6.025 36 HB VAL 5 HB VAL 5 9.448 8.623 -4.063 37 HG11 VAL 5 1HG1 VAL 5 11.292 10.364 -5.665 38 HG12 VAL 5 2HG1 VAL 5 11.105 8.619 -5.820 39 HG13 VAL 5 3HG1 VAL 5 11.747 9.308 -4.330 40 HG21 VAL 5 1HG2 VAL 5 10.297 10.562 -2.809 41 HG22 VAL 5 2HG2 VAL 5 8.562 10.666 -3.101 42 HG23 VAL 5 3HG2 VAL 5 9.677 11.633 -4.067 43 H SER 6 H SER 6 6.448 8.678 -4.881 44 HA SER 6 HA SER 6 4.875 11.069 -5.084 45 HB2 SER 6 1HB SER 6 3.109 9.459 -4.078 46 HB3 SER 6 2HB SER 6 3.706 9.156 -5.709 47 HG SER 6 HG SER 6 4.698 7.403 -5.044 48 H THR 7 H THR 7 5.285 12.590 -3.594 49 HA THR 7 HA THR 7 5.751 11.926 -0.821 50 HB THR 7 HB THR 7 5.842 14.370 -0.478 51 HG1 THR 7 HG1 THR 7 5.034 14.389 -3.217 52 HG21 THR 7 1HG2 THR 7 7.820 14.808 -1.856 53 HG22 THR 7 2HG2 THR 7 7.419 13.424 -2.872 54 HG23 THR 7 3HG2 THR 7 7.859 13.178 -1.182 55 H THR 8 H THR 8 4.436 13.603 0.709 56 HA THR 8 HA THR 8 1.875 12.592 1.027 57 HB THR 8 HB THR 8 2.928 15.269 1.954 58 HG1 THR 8 HG1 THR 8 3.923 13.053 2.574 59 HG21 THR 8 1HG2 THR 8 0.576 13.627 2.880 60 HG22 THR 8 2HG2 THR 8 0.522 15.206 2.093 61 HG23 THR 8 3HG2 THR 8 1.201 15.050 3.715 62 H GLU 9 H GLU 9 2.849 15.667 -0.473 63 HA GLU 9 HA GLU 9 0.285 16.594 -1.046 64 HB2 GLU 9 1HB GLU 9 2.352 17.967 -1.135 65 HB3 GLU 9 2HB GLU 9 2.800 17.144 -2.622 66 HG2 GLU 9 1HG GLU 9 0.967 18.079 -3.793 67 HG3 GLU 9 2HG GLU 9 0.244 18.682 -2.303 68 H ASP 10 H ASP 10 2.446 14.518 -2.911 69 HA ASP 10 HA ASP 10 0.813 14.344 -5.224 70 HB2 ASP 10 1HB ASP 10 2.784 12.292 -4.183 71 HB3 ASP 10 2HB ASP 10 2.098 12.355 -5.805 72 H LEU 11 H LEU 11 1.065 12.403 -2.282 73 HA LEU 11 HA LEU 11 -0.653 10.356 -3.063 74 HB2 LEU 11 1HB LEU 11 0.812 10.139 -1.146 75 HB3 LEU 11 2HB LEU 11 -0.093 11.383 -0.273 76 HG LEU 11 HG LEU 11 -2.079 9.861 -0.359 77 HD11 LEU 11 1HD1 LEU 11 -1.455 8.533 -2.282 78 HD12 LEU 11 2HD1 LEU 11 -1.701 7.500 -0.876 79 HD13 LEU 11 3HD1 LEU 11 -0.066 7.889 -1.409 80 HD21 LEU 11 1HD2 LEU 11 0.381 8.717 0.957 81 HD22 LEU 11 2HD2 LEU 11 -1.291 8.349 1.384 82 HD23 LEU 11 3HD2 LEU 11 -0.654 9.980 1.626 83 H GLN 12 H GLN 12 -1.285 13.500 -1.642 84 HA GLN 12 HA GLN 12 -3.952 13.227 -0.911 85 HB2 GLN 12 1HB GLN 12 -2.389 15.568 -1.946 86 HB3 GLN 12 2HB GLN 12 -4.086 15.717 -1.529 87 HG2 GLN 12 1HG GLN 12 -3.610 15.076 0.756 88 HG3 GLN 12 2HG GLN 12 -1.913 14.827 0.349 89 HE21 GLN 12 1HE2 GLN 12 -3.221 16.654 2.261 90 HE22 GLN 12 2HE2 GLN 12 -2.656 18.234 1.845 91 H ARG 13 H ARG 13 -2.574 13.912 -4.077 92 HA ARG 13 HA ARG 13 -5.021 14.440 -5.387 93 HB2 ARG 13 1HB ARG 13 -2.863 15.121 -6.318 94 HB3 ARG 13 2HB ARG 13 -2.397 13.437 -6.505 95 HG2 ARG 13 1HG ARG 13 -3.087 14.409 -8.631 96 HG3 ARG 13 2HG ARG 13 -4.186 13.110 -8.134 97 HD2 ARG 13 1HD ARG 13 -5.388 15.048 -9.032 98 HD3 ARG 13 2HD ARG 13 -5.790 14.743 -7.344 99 HE ARG 13 HE ARG 13 -3.695 16.690 -7.801 100 HH11 ARG 13 1HH1 ARG 13 -7.119 16.148 -7.317 101 HH12 ARG 13 2HH1 ARG 13 -7.424 17.763 -6.758 102 HH21 ARG 13 1HH2 ARG 13 -4.092 18.813 -7.060 103 HH22 ARG 13 2HH2 ARG 13 -5.703 19.277 -6.611 104 H TYR 14 H TYR 14 -3.134 11.506 -4.866 105 HA TYR 14 HA TYR 14 -4.704 9.902 -6.621 106 HB2 TYR 14 1HB TYR 14 -2.911 8.927 -4.394 107 HB3 TYR 14 2HB TYR 14 -3.435 8.033 -5.812 108 HD1 TYR 14 HD1 TYR 14 -0.551 8.845 -4.689 109 HD2 TYR 14 HD2 TYR 14 -3.017 10.190 -7.885 110 HE1 TYR 14 HE1 TYR 14 1.443 9.614 -5.898 111 HE2 TYR 14 HE2 TYR 14 -1.026 10.951 -9.105 112 HH TYR 14 HH TYR 14 1.287 11.650 -8.591 113 H ARG 15 H ARG 15 -4.724 10.455 -3.116 114 HA ARG 15 HA ARG 15 -6.640 8.500 -2.468 115 HB2 ARG 15 1HB ARG 15 -6.662 11.140 -1.039 116 HB3 ARG 15 2HB ARG 15 -6.928 9.533 -0.401 117 HG2 ARG 15 1HG ARG 15 -4.525 9.040 -0.705 118 HG3 ARG 15 2HG ARG 15 -4.287 10.714 -1.213 119 HD2 ARG 15 1HD ARG 15 -3.756 10.823 1.048 120 HD3 ARG 15 2HD ARG 15 -5.462 11.279 1.053 121 HE ARG 15 HE ARG 15 -5.000 8.453 1.380 122 HH11 ARG 15 1HH1 ARG 15 -5.396 11.516 3.052 123 HH12 ARG 15 2HH1 ARG 15 -5.700 10.769 4.583 124 HH21 ARG 15 1HH2 ARG 15 -5.408 7.481 3.355 125 HH22 ARG 15 2HH2 ARG 15 -5.715 8.467 4.765 126 H THR 16 H THR 16 -6.958 11.903 -3.295 127 HA THR 16 HA THR 16 -9.720 12.135 -3.061 128 HB THR 16 HB THR 16 -7.732 13.634 -4.759 129 HG1 THR 16 HG1 THR 16 -7.332 13.997 -2.624 130 HG21 THR 16 1HG2 THR 16 -9.959 13.899 -5.718 131 HG22 THR 16 2HG2 THR 16 -9.419 15.397 -4.958 132 HG23 THR 16 3HG2 THR 16 -10.594 14.366 -4.139 133 H GLU 17 H GLU 17 -7.734 11.501 -5.957 134 HA GLU 17 HA GLU 17 -9.976 11.487 -7.676 135 HB2 GLU 17 1HB GLU 17 -8.236 11.928 -9.025 136 HB3 GLU 17 2HB GLU 17 -7.086 11.135 -7.964 137 HG2 GLU 17 1HG GLU 17 -7.589 8.999 -8.956 138 HG3 GLU 17 2HG GLU 17 -8.922 9.706 -9.874 139 H CYS 18 H CYS 18 -8.057 8.824 -6.257 140 HA CYS 18 HA CYS 18 -9.456 6.739 -7.512 141 HB2 CYS 18 1HB CYS 18 -7.976 6.789 -4.883 142 HB3 CYS 18 2HB CYS 18 -8.685 5.327 -5.578 143 H VAL 19 H VAL 19 -10.139 8.569 -4.585 144 HA VAL 19 HA VAL 19 -12.276 7.013 -3.661 145 HB VAL 19 HB VAL 19 -11.468 9.861 -3.250 146 HG11 VAL 19 1HG1 VAL 19 -13.933 9.877 -3.435 147 HG12 VAL 19 2HG1 VAL 19 -13.346 10.301 -1.827 148 HG13 VAL 19 3HG1 VAL 19 -14.006 8.696 -2.127 149 HG21 VAL 19 1HG2 VAL 19 -10.343 8.177 -1.964 150 HG22 VAL 19 2HG2 VAL 19 -11.878 7.491 -1.440 151 HG23 VAL 19 3HG2 VAL 19 -11.399 9.100 -0.897 152 H SER 20 H SER 20 -12.282 9.932 -5.670 153 HA SER 20 HA SER 20 -15.062 9.980 -6.086 154 HB2 SER 20 1HB SER 20 -12.786 11.169 -7.676 155 HB3 SER 20 2HB SER 20 -14.485 11.596 -7.894 156 HG SER 20 HG SER 20 -12.728 12.517 -6.084 157 H SER 21 H SER 21 -12.511 8.220 -7.721 158 HA SER 21 HA SER 21 -14.104 7.699 -10.074 159 HB2 SER 21 1HB SER 21 -11.464 6.522 -9.185 160 HB3 SER 21 2HB SER 21 -12.177 6.359 -10.791 161 HG SER 21 HG SER 21 -11.168 8.687 -9.524 162 H LEU 22 H LEU 22 -12.980 5.842 -7.244 163 HA LEU 22 HA LEU 22 -14.343 3.466 -8.152 164 HB2 LEU 22 1HB LEU 22 -12.754 4.166 -5.703 165 HB3 LEU 22 2HB LEU 22 -13.579 2.613 -5.864 166 HG LEU 22 HG LEU 22 -11.539 3.624 -7.837 167 HD11 LEU 22 1HD1 LEU 22 -9.987 2.060 -6.737 168 HD12 LEU 22 2HD1 LEU 22 -11.198 1.769 -5.485 169 HD13 LEU 22 3HD1 LEU 22 -10.483 3.370 -5.667 170 HD21 LEU 22 1HD2 LEU 22 -13.121 1.951 -8.664 171 HD22 LEU 22 2HD2 LEU 22 -12.682 0.887 -7.328 172 HD23 LEU 22 3HD2 LEU 22 -11.484 1.309 -8.552 173 H ASN 23 H ASN 23 -15.596 6.153 -7.080 174 HA ASN 23 HA ASN 23 -17.466 6.834 -5.999 175 HB2 ASN 23 1HB ASN 23 -18.359 5.016 -7.538 176 HB3 ASN 23 2HB ASN 23 -18.403 3.973 -6.131 177 HD21 ASN 23 1HD2 ASN 23 -19.733 6.783 -7.659 178 HD22 ASN 23 2HD2 ASN 23 -21.152 6.906 -6.670 179 H ILE 24 H ILE 24 -15.242 6.091 -4.372 180 HA ILE 24 HA ILE 24 -16.051 4.583 -2.117 181 HB ILE 24 HB ILE 24 -13.931 6.726 -2.211 182 HG12 ILE 24 1HG1 ILE 24 -13.554 5.063 -3.995 183 HG13 ILE 24 2HG1 ILE 24 -12.333 4.944 -2.732 184 HG21 ILE 24 1HG2 ILE 24 -14.322 4.365 -0.381 185 HG22 ILE 24 2HG2 ILE 24 -14.517 6.068 0.036 186 HG23 ILE 24 3HG2 ILE 24 -12.922 5.438 -0.373 187 HD11 ILE 24 1HD1 ILE 24 -14.706 3.131 -3.098 188 HD12 ILE 24 2HD1 ILE 24 -13.522 3.017 -1.793 189 HD13 ILE 24 3HD1 ILE 24 -13.022 2.751 -3.463 190 HA PRO 25 HA PRO 25 -18.917 7.578 -0.460 191 HB2 PRO 25 1HB PRO 25 -18.614 5.922 1.963 192 HB3 PRO 25 2HB PRO 25 -20.069 6.343 1.056 193 HG2 PRO 25 1HG PRO 25 -19.025 3.888 0.971 194 HG3 PRO 25 2HG PRO 25 -19.800 4.631 -0.440 195 HD2 PRO 25 1HD PRO 25 -16.894 4.261 0.158 196 HD3 PRO 25 2HD PRO 25 -17.757 4.153 -1.398 197 H ALA 26 H ALA 26 -18.772 9.341 0.747 198 HA ALA 26 HA ALA 26 -16.331 10.421 1.499 199 HB1 ALA 26 1HB ALA 26 -19.054 11.168 2.545 200 HB2 ALA 26 2HB ALA 26 -18.361 11.715 1.018 201 HB3 ALA 26 3HB ALA 26 -17.615 12.190 2.545 202 H ASP 27 H ASP 27 -18.660 8.617 3.411 203 HA ASP 27 HA ASP 27 -17.723 9.036 5.976 204 HB2 ASP 27 1HB ASP 27 -19.720 7.767 5.574 205 HB3 ASP 27 2HB ASP 27 -18.812 6.508 4.741 206 H TYR 28 H TYR 28 -16.603 6.602 3.628 207 HA TYR 28 HA TYR 28 -14.604 5.525 5.266 208 HB2 TYR 28 1HB TYR 28 -15.133 5.477 2.324 209 HB3 TYR 28 2HB TYR 28 -13.646 4.774 2.964 210 HD1 TYR 28 HD1 TYR 28 -13.691 2.681 4.145 211 HD2 TYR 28 HD2 TYR 28 -17.331 4.569 3.001 212 HE1 TYR 28 HE1 TYR 28 -14.925 0.638 4.724 213 HE2 TYR 28 HE2 TYR 28 -18.575 2.524 3.572 214 HH TYR 28 HH TYR 28 -17.213 -0.002 5.373 215 H VAL 29 H VAL 29 -14.625 8.231 3.050 216 HA VAL 29 HA VAL 29 -11.876 8.678 2.817 217 HB VAL 29 HB VAL 29 -14.080 10.730 2.803 218 HG11 VAL 29 1HG1 VAL 29 -11.274 10.793 1.713 219 HG12 VAL 29 2HG1 VAL 29 -11.914 11.770 3.034 220 HG13 VAL 29 3HG1 VAL 29 -12.507 12.014 1.391 221 HG21 VAL 29 1HG2 VAL 29 -14.536 8.988 1.211 222 HG22 VAL 29 2HG2 VAL 29 -12.886 9.073 0.597 223 HG23 VAL 29 3HG2 VAL 29 -13.990 10.428 0.352 224 H GLU 30 H GLU 30 -14.224 9.886 5.205 225 HA GLU 30 HA GLU 30 -12.461 11.493 6.706 226 HB2 GLU 30 1HB GLU 30 -14.708 9.946 7.963 227 HB3 GLU 30 2HB GLU 30 -14.085 11.538 8.374 228 HG2 GLU 30 1HG GLU 30 -14.935 12.372 6.211 229 HG3 GLU 30 2HG GLU 30 -15.701 10.807 5.962 230 H LYS 31 H LYS 31 -13.064 8.048 6.741 231 HA LYS 31 HA LYS 31 -11.627 7.437 9.096 232 HB2 LYS 31 1HB LYS 31 -12.073 5.718 6.648 233 HB3 LYS 31 2HB LYS 31 -11.495 5.148 8.218 234 HG2 LYS 31 1HG LYS 31 -13.624 5.867 9.228 235 HG3 LYS 31 2HG LYS 31 -14.197 6.341 7.629 236 HD2 LYS 31 1HD LYS 31 -13.777 3.974 6.884 237 HD3 LYS 31 2HD LYS 31 -13.463 3.575 8.584 238 HE2 LYS 31 1HE LYS 31 -16.026 4.834 7.611 239 HE3 LYS 31 2HE LYS 31 -15.805 3.094 7.795 240 HZ1 LYS 31 1HZ LYS 31 -15.496 5.082 9.977 241 HZ2 LYS 31 2HZ LYS 31 -15.407 3.402 10.132 242 HZ3 LYS 31 3HZ LYS 31 -16.873 4.138 9.721 243 H PHE 32 H PHE 32 -10.684 7.304 5.668 244 HA PHE 32 HA PHE 32 -8.037 6.524 6.036 245 HB2 PHE 32 1HB PHE 32 -9.123 8.240 3.802 246 HB3 PHE 32 2HB PHE 32 -7.644 7.286 3.762 247 HD1 PHE 32 HD1 PHE 32 -8.583 4.784 5.030 248 HD2 PHE 32 HD2 PHE 32 -10.417 7.273 2.107 249 HE1 PHE 32 HE1 PHE 32 -9.832 2.852 4.174 250 HE2 PHE 32 HE2 PHE 32 -11.673 5.341 1.248 251 HZ PHE 32 HZ PHE 32 -11.380 3.122 2.277 252 H LYS 33 H LYS 33 -9.503 9.689 6.205 253 HA LYS 33 HA LYS 33 -7.249 11.324 6.104 254 HB2 LYS 33 1HB LYS 33 -9.702 12.024 6.217 255 HB3 LYS 33 2HB LYS 33 -9.582 11.776 7.959 256 HG2 LYS 33 1HG LYS 33 -7.828 13.435 8.114 257 HG3 LYS 33 2HG LYS 33 -7.872 13.667 6.360 258 HD2 LYS 33 1HD LYS 33 -9.101 15.445 7.445 259 HD3 LYS 33 2HD LYS 33 -10.223 14.413 6.561 260 HE2 LYS 33 1HE LYS 33 -10.833 13.280 8.630 261 HE3 LYS 33 2HE LYS 33 -9.681 14.270 9.524 262 HZ1 LYS 33 1HZ LYS 33 -11.902 15.132 9.767 263 HZ2 LYS 33 2HZ LYS 33 -12.090 15.249 8.093 264 HZ3 LYS 33 3HZ LYS 33 -10.967 16.231 8.887 265 H LYS 34 H LYS 34 -8.545 9.403 8.765 266 HA LYS 34 HA LYS 34 -6.334 10.325 10.488 267 HB2 LYS 34 1HB LYS 34 -7.665 9.871 12.352 268 HB3 LYS 34 2HB LYS 34 -8.815 10.470 11.185 269 HG2 LYS 34 1HG LYS 34 -9.557 8.236 10.655 270 HG3 LYS 34 2HG LYS 34 -8.364 7.556 11.763 271 HD2 LYS 34 1HD LYS 34 -10.546 7.619 12.822 272 HD3 LYS 34 2HD LYS 34 -9.447 8.735 13.627 273 HE2 LYS 34 1HE LYS 34 -11.653 9.734 13.337 274 HE3 LYS 34 2HE LYS 34 -10.438 10.606 12.409 275 HZ1 LYS 34 1HZ LYS 34 -12.301 8.580 11.297 276 HZ2 LYS 34 2HZ LYS 34 -11.187 9.498 10.416 277 HZ3 LYS 34 3HZ LYS 34 -12.498 10.254 11.166 278 H TRP 35 H TRP 35 -6.017 8.439 8.319 279 HA TRP 35 HA TRP 35 -5.177 6.406 7.788 280 HB2 TRP 35 1HB TRP 35 -3.918 6.888 10.483 281 HB3 TRP 35 2HB TRP 35 -3.449 5.550 9.428 282 HD1 TRP 35 HD1 TRP 35 -3.385 9.395 9.584 283 HE1 TRP 35 HE1 TRP 35 -1.546 10.256 8.002 284 HE3 TRP 35 HE3 TRP 35 -2.055 4.963 7.395 285 HZ2 TRP 35 HZ2 TRP 35 0.226 9.199 6.085 286 HZ3 TRP 35 HZ3 TRP 35 -0.285 4.980 5.694 287 HH2 TRP 35 HH2 TRP 35 0.839 7.046 5.051 288 H GLU 36 H GLU 36 -7.715 6.044 8.511 289 HA GLU 36 HA GLU 36 -7.658 3.575 10.100 290 HB2 GLU 36 1HB GLU 36 -9.093 5.418 10.986 291 HB3 GLU 36 2HB GLU 36 -10.041 5.317 9.513 292 HG2 GLU 36 1HG GLU 36 -11.155 4.118 11.260 293 HG3 GLU 36 2HG GLU 36 -10.574 2.987 10.041 294 H PHE 37 H PHE 37 -7.596 1.880 8.819 295 HA PHE 37 HA PHE 37 -9.046 1.975 6.252 296 HB2 PHE 37 1HB PHE 37 -6.649 0.261 6.963 297 HB3 PHE 37 2HB PHE 37 -7.413 0.379 5.382 298 HD1 PHE 37 HD1 PHE 37 -5.453 2.239 7.904 299 HD2 PHE 37 HD2 PHE 37 -6.829 2.110 3.876 300 HE1 PHE 37 HE1 PHE 37 -3.938 4.089 7.328 301 HE2 PHE 37 HE2 PHE 37 -5.323 3.963 3.302 302 HZ PHE 37 HZ PHE 37 -3.873 4.954 5.023 303 HA PRO 38 HA PRO 38 -11.443 -1.236 8.489 304 HB2 PRO 38 1HB PRO 38 -13.228 -0.732 6.188 305 HB3 PRO 38 2HB PRO 38 -13.591 -0.754 7.924 306 HG2 PRO 38 1HG PRO 38 -13.531 1.547 6.582 307 HG3 PRO 38 2HG PRO 38 -12.891 1.431 8.230 308 HD2 PRO 38 1HD PRO 38 -11.384 1.437 5.626 309 HD3 PRO 38 2HD PRO 38 -11.022 2.307 7.148 310 H GLU 39 H GLU 39 -11.547 -3.361 8.047 311 HA GLU 39 HA GLU 39 -10.296 -4.285 5.623 312 HB2 GLU 39 1HB GLU 39 -9.823 -5.264 7.879 313 HB3 GLU 39 2HB GLU 39 -11.448 -5.930 7.879 314 HG2 GLU 39 1HG GLU 39 -10.945 -7.352 6.040 315 HG3 GLU 39 2HG GLU 39 -9.401 -6.548 5.763 316 H ASP 40 H ASP 40 -11.786 -3.608 4.126 317 HA ASP 40 HA ASP 40 -14.179 -5.209 3.747 318 HB2 ASP 40 1HB ASP 40 -15.074 -3.456 5.191 319 HB3 ASP 40 2HB ASP 40 -14.320 -2.208 4.203 320 H ASP 41 H ASP 41 -14.896 -5.153 1.624 321 HA ASP 41 HA ASP 41 -12.847 -5.129 -0.234 322 HB2 ASP 41 1HB ASP 41 -14.519 -5.522 -1.948 323 HB3 ASP 41 2HB ASP 41 -14.920 -6.443 -0.505 324 H THR 42 H THR 42 -14.997 -2.527 0.630 325 HA THR 42 HA THR 42 -14.662 -0.800 -1.533 326 HB THR 42 HB THR 42 -14.770 -0.006 1.378 327 HG1 THR 42 HG1 THR 42 -16.514 -1.308 1.116 328 HG21 THR 42 1HG2 THR 42 -14.294 1.837 -0.111 329 HG22 THR 42 2HG2 THR 42 -15.948 1.970 0.488 330 HG23 THR 42 3HG2 THR 42 -15.646 1.383 -1.148 331 H THR 43 H THR 43 -12.799 -0.952 1.483 332 HA THR 43 HA THR 43 -10.879 0.973 0.821 333 HB THR 43 HB THR 43 -10.453 -1.361 2.685 334 HG1 THR 43 HG1 THR 43 -11.366 0.210 4.258 335 HG21 THR 43 1HG2 THR 43 -9.138 0.352 3.957 336 HG22 THR 43 2HG2 THR 43 -9.375 1.461 2.604 337 HG23 THR 43 3HG2 THR 43 -8.466 -0.029 2.368 338 H MET 44 H MET 44 -11.010 -2.507 0.256 339 HA MET 44 HA MET 44 -8.353 -3.006 -0.398 340 HB2 MET 44 1HB MET 44 -10.925 -4.253 -1.289 341 HB3 MET 44 2HB MET 44 -9.409 -4.769 -1.989 342 HG2 MET 44 1HG MET 44 -10.151 -6.221 -0.176 343 HG3 MET 44 2HG MET 44 -8.591 -5.486 0.151 344 HE1 MET 44 1HE MET 44 -10.752 -6.954 2.108 345 HE2 MET 44 2HE MET 44 -10.697 -5.964 3.563 346 HE3 MET 44 3HE MET 44 -9.197 -6.451 2.774 347 H CYS 45 H CYS 45 -10.993 -2.277 -2.701 348 HA CYS 45 HA CYS 45 -9.259 -2.142 -4.929 349 HB2 CYS 45 1HB CYS 45 -12.035 -1.005 -4.545 350 HB3 CYS 45 2HB CYS 45 -11.169 -0.984 -6.075 351 H TYR 46 H TYR 46 -10.328 0.250 -2.608 352 HA TYR 46 HA TYR 46 -9.470 2.549 -3.929 353 HB2 TYR 46 1HB TYR 46 -10.806 2.869 -2.028 354 HB3 TYR 46 2HB TYR 46 -9.788 1.835 -1.026 355 HD1 TYR 46 HD1 TYR 46 -9.636 5.032 -2.957 356 HD2 TYR 46 HD2 TYR 46 -8.298 2.835 0.436 357 HE1 TYR 46 HE1 TYR 46 -8.447 7.015 -2.142 358 HE2 TYR 46 HE2 TYR 46 -7.105 4.821 1.255 359 HH TYR 46 HH TYR 46 -6.213 6.889 0.483 360 H ILE 47 H ILE 47 -7.774 0.456 -1.626 361 HA ILE 47 HA ILE 47 -5.320 1.780 -1.655 362 HB ILE 47 HB ILE 47 -5.985 -1.106 -1.120 363 HG12 ILE 47 1HG1 ILE 47 -6.908 0.475 0.494 364 HG13 ILE 47 2HG1 ILE 47 -5.609 -0.450 1.242 365 HG21 ILE 47 1HG2 ILE 47 -3.730 -1.270 -0.082 366 HG22 ILE 47 2HG2 ILE 47 -3.338 0.299 -0.787 367 HG23 ILE 47 3HG2 ILE 47 -3.693 -1.074 -1.836 368 HD11 ILE 47 1HD1 ILE 47 -4.103 1.526 0.734 369 HD12 ILE 47 2HD1 ILE 47 -5.343 1.767 1.963 370 HD13 ILE 47 3HD1 ILE 47 -5.578 2.415 0.340 371 H LYS 48 H LYS 48 -6.628 -0.715 -3.800 372 HA LYS 48 HA LYS 48 -4.223 -1.307 -5.120 373 HB2 LYS 48 1HB LYS 48 -6.400 -2.616 -5.273 374 HB3 LYS 48 2HB LYS 48 -6.937 -1.408 -6.432 375 HG2 LYS 48 1HG LYS 48 -4.852 -1.929 -7.757 376 HG3 LYS 48 2HG LYS 48 -4.619 -3.304 -6.683 377 HD2 LYS 48 1HD LYS 48 -5.713 -4.190 -8.548 378 HD3 LYS 48 2HD LYS 48 -6.988 -3.995 -7.343 379 HE2 LYS 48 1HE LYS 48 -7.783 -2.012 -8.399 380 HE3 LYS 48 2HE LYS 48 -6.384 -1.950 -9.469 381 HZ1 LYS 48 1HZ LYS 48 -8.503 -4.029 -9.486 382 HZ2 LYS 48 2HZ LYS 48 -7.138 -4.025 -10.490 383 HZ3 LYS 48 3HZ LYS 48 -8.302 -2.800 -10.630 384 H CYS 49 H CYS 49 -6.866 0.921 -5.966 385 HA CYS 49 HA CYS 49 -5.787 1.944 -8.307 386 HB2 CYS 49 1HB CYS 49 -8.042 2.429 -7.768 387 HB3 CYS 49 2HB CYS 49 -7.606 3.236 -6.265 388 H VAL 50 H VAL 50 -5.403 3.157 -4.974 389 HA VAL 50 HA VAL 50 -3.838 5.378 -5.622 390 HB VAL 50 HB VAL 50 -4.120 3.808 -3.070 391 HG11 VAL 50 1HG1 VAL 50 -2.651 6.404 -3.523 392 HG12 VAL 50 2HG1 VAL 50 -1.935 4.866 -3.035 393 HG13 VAL 50 3HG1 VAL 50 -3.035 5.712 -1.950 394 HG21 VAL 50 1HG2 VAL 50 -5.166 6.481 -3.964 395 HG22 VAL 50 2HG2 VAL 50 -5.430 5.753 -2.378 396 HG23 VAL 50 3HG2 VAL 50 -6.096 4.990 -3.822 397 H PHE 51 H PHE 51 -2.936 2.125 -4.551 398 HA PHE 51 HA PHE 51 -0.165 2.538 -4.507 399 HB2 PHE 51 1HB PHE 51 -1.987 0.200 -4.489 400 HB3 PHE 51 2HB PHE 51 -0.326 -0.111 -4.975 401 HD1 PHE 51 HD1 PHE 51 0.171 -1.498 -3.100 402 HD2 PHE 51 HD2 PHE 51 -1.227 2.481 -2.529 403 HE1 PHE 51 HE1 PHE 51 0.813 -1.616 -0.730 404 HE2 PHE 51 HE2 PHE 51 -0.583 2.367 -0.159 405 HZ PHE 51 HZ PHE 51 0.437 0.320 0.743 406 H ASN 52 H ASN 52 -2.389 1.844 -7.073 407 HA ASN 52 HA ASN 52 -0.384 1.108 -9.002 408 HB2 ASN 52 1HB ASN 52 -2.734 0.316 -9.162 409 HB3 ASN 52 2HB ASN 52 -3.256 1.983 -9.433 410 HD21 ASN 52 1HD2 ASN 52 -0.368 0.429 -10.737 411 HD22 ASN 52 2HD2 ASN 52 -0.847 0.535 -12.396 412 H LYS 53 H LYS 53 -2.157 3.980 -8.085 413 HA LYS 53 HA LYS 53 -1.341 5.660 -10.203 414 HB2 LYS 53 1HB LYS 53 -2.420 6.131 -7.445 415 HB3 LYS 53 2HB LYS 53 -1.921 7.488 -8.444 416 HG2 LYS 53 1HG LYS 53 -3.999 5.437 -9.208 417 HG3 LYS 53 2HG LYS 53 -4.351 7.022 -8.521 418 HD2 LYS 53 1HD LYS 53 -3.324 8.098 -10.452 419 HD3 LYS 53 2HD LYS 53 -2.915 6.518 -11.127 420 HE2 LYS 53 1HE LYS 53 -5.246 5.957 -11.341 421 HE3 LYS 53 2HE LYS 53 -5.716 7.445 -10.522 422 HZ1 LYS 53 1HZ LYS 53 -5.943 7.608 -12.928 423 HZ2 LYS 53 2HZ LYS 53 -4.292 7.308 -13.122 424 HZ3 LYS 53 3HZ LYS 53 -4.809 8.715 -12.340 425 H MET 54 H MET 54 0.123 4.690 -7.219 426 HA MET 54 HA MET 54 2.213 6.706 -7.396 427 HB2 MET 54 1HB MET 54 1.678 4.519 -5.377 428 HB3 MET 54 2HB MET 54 3.014 5.660 -5.274 429 HG2 MET 54 1HG MET 54 1.575 7.471 -4.926 430 HG3 MET 54 2HG MET 54 0.165 6.561 -5.449 431 HE1 MET 54 1HE MET 54 2.602 7.449 -2.654 432 HE2 MET 54 2HE MET 54 3.088 5.760 -2.782 433 HE3 MET 54 3HE MET 54 2.226 6.327 -1.352 434 H GLN 55 H GLN 55 1.656 4.085 -9.068 435 HA GLN 55 HA GLN 55 2.756 2.408 -10.066 436 HB2 GLN 55 1HB GLN 55 4.735 4.621 -9.951 437 HB3 GLN 55 2HB GLN 55 5.282 3.053 -10.542 438 HG2 GLN 55 1HG GLN 55 2.857 4.430 -11.641 439 HG3 GLN 55 2HG GLN 55 4.471 4.774 -12.238 440 HE21 GLN 55 1HE2 GLN 55 3.554 1.552 -11.214 441 HE22 GLN 55 2HE2 GLN 55 3.519 0.852 -12.790 442 H LEU 56 H LEU 56 2.422 1.770 -7.539 443 HA LEU 56 HA LEU 56 5.003 0.781 -6.583 444 HB2 LEU 56 1HB LEU 56 2.786 2.169 -5.253 445 HB3 LEU 56 2HB LEU 56 3.392 0.770 -4.353 446 HG LEU 56 HG LEU 56 5.019 3.125 -5.314 447 HD11 LEU 56 1HD1 LEU 56 4.109 2.394 -2.537 448 HD12 LEU 56 2HD1 LEU 56 3.453 3.702 -3.514 449 HD13 LEU 56 3HD1 LEU 56 5.130 3.761 -2.973 450 HD21 LEU 56 1HD2 LEU 56 6.720 2.141 -3.758 451 HD22 LEU 56 2HD2 LEU 56 6.430 1.214 -5.229 452 HD23 LEU 56 3HD2 LEU 56 5.720 0.691 -3.700 453 H PHE 57 H PHE 57 1.821 0.049 -7.531 454 HA PHE 57 HA PHE 57 2.307 -2.799 -7.111 455 HB2 PHE 57 1HB PHE 57 0.846 -2.198 -5.252 456 HB3 PHE 57 2HB PHE 57 -0.237 -1.340 -6.338 457 HD1 PHE 57 HD1 PHE 57 -1.824 -2.522 -7.712 458 HD2 PHE 57 HD2 PHE 57 0.855 -4.632 -5.162 459 HE1 PHE 57 HE1 PHE 57 -3.175 -4.559 -7.983 460 HE2 PHE 57 HE2 PHE 57 -0.492 -6.672 -5.434 461 HZ PHE 57 HZ PHE 57 -2.509 -6.635 -6.845 462 H ASP 58 H ASP 58 1.653 -4.014 -8.791 463 HA ASP 58 HA ASP 58 0.213 -2.639 -10.962 464 HB2 ASP 58 1HB ASP 58 2.522 -3.158 -11.602 465 HB3 ASP 58 2HB ASP 58 2.284 -4.844 -11.159 466 H ASP 59 H ASP 59 -1.494 -3.683 -11.891 467 HA ASP 59 HA ASP 59 -2.980 -5.374 -10.186 468 HB2 ASP 59 1HB ASP 59 -3.947 -3.749 -11.804 469 HB3 ASP 59 2HB ASP 59 -3.460 -4.801 -13.115 470 H THR 60 H THR 60 -0.697 -6.031 -12.655 471 HA THR 60 HA THR 60 -1.547 -8.814 -12.897 472 HB THR 60 HB THR 60 0.424 -7.141 -14.434 473 HG1 THR 60 HG1 THR 60 -1.287 -6.794 -15.594 474 HG21 THR 60 1HG2 THR 60 0.755 -9.069 -15.903 475 HG22 THR 60 2HG2 THR 60 -0.230 -10.060 -14.827 476 HG23 THR 60 3HG2 THR 60 1.308 -9.403 -14.263 477 H GLU 61 H GLU 61 1.580 -7.093 -12.512 478 HA GLU 61 HA GLU 61 2.898 -9.480 -11.647 479 HB2 GLU 61 1HB GLU 61 4.033 -6.716 -11.369 480 HB3 GLU 61 2HB GLU 61 4.869 -8.237 -11.630 481 HG2 GLU 61 1HG GLU 61 3.877 -8.367 -13.877 482 HG3 GLU 61 2HG GLU 61 3.161 -6.779 -13.620 483 H GLY 62 H GLY 62 1.072 -7.152 -9.954 484 HA2 GLY 62 1HA GLY 62 0.548 -7.251 -7.672 485 HA3 GLY 62 2HA GLY 62 1.893 -8.371 -7.443 486 HA PRO 63 HA PRO 63 3.222 -4.442 -5.419 487 HB2 PRO 63 1HB PRO 63 4.906 -6.359 -3.937 488 HB3 PRO 63 2HB PRO 63 3.801 -5.120 -3.325 489 HG2 PRO 63 1HG PRO 63 3.241 -7.754 -3.183 490 HG3 PRO 63 2HG PRO 63 1.987 -6.517 -3.382 491 HD2 PRO 63 1HD PRO 63 3.158 -8.386 -5.404 492 HD3 PRO 63 2HD PRO 63 1.488 -7.780 -5.253 493 H LEU 64 H LEU 64 4.751 -3.309 -6.415 494 HA LEU 64 HA LEU 64 6.890 -4.672 -7.836 495 HB2 LEU 64 1HB LEU 64 6.396 -1.699 -7.643 496 HB3 LEU 64 2HB LEU 64 7.374 -2.544 -8.826 497 HG LEU 64 HG LEU 64 4.380 -2.834 -8.593 498 HD11 LEU 64 1HD1 LEU 64 4.959 -0.596 -9.338 499 HD12 LEU 64 2HD1 LEU 64 4.296 -1.540 -10.672 500 HD13 LEU 64 3HD1 LEU 64 6.035 -1.266 -10.565 501 HD21 LEU 64 1HD2 LEU 64 6.296 -3.781 -10.713 502 HD22 LEU 64 2HD2 LEU 64 4.545 -4.012 -10.695 503 HD23 LEU 64 3HD2 LEU 64 5.556 -4.798 -9.477 504 H VAL 65 H VAL 65 8.189 -5.459 -6.304 505 HA VAL 65 HA VAL 65 8.858 -4.466 -3.853 506 HB VAL 65 HB VAL 65 10.526 -6.177 -5.677 507 HG11 VAL 65 1HG1 VAL 65 11.711 -6.896 -3.648 508 HG12 VAL 65 2HG1 VAL 65 10.836 -5.680 -2.717 509 HG13 VAL 65 3HG1 VAL 65 11.959 -5.182 -3.984 510 HG21 VAL 65 1HG2 VAL 65 9.650 -7.995 -4.233 511 HG22 VAL 65 2HG2 VAL 65 8.410 -7.174 -5.179 512 HG23 VAL 65 3HG2 VAL 65 8.593 -6.810 -3.464 513 H ASP 66 H ASP 66 10.628 -3.904 -6.893 514 HA ASP 66 HA ASP 66 12.818 -2.596 -5.739 515 HB2 ASP 66 1HB ASP 66 12.853 -3.431 -8.019 516 HB3 ASP 66 2HB ASP 66 11.653 -2.237 -8.499 517 H ASN 67 H ASN 67 9.882 -1.182 -7.210 518 HA ASN 67 HA ASN 67 10.532 1.486 -6.564 519 HB2 ASN 67 1HB ASN 67 7.895 0.159 -7.163 520 HB3 ASN 67 2HB ASN 67 8.041 1.878 -6.835 521 HD21 ASN 67 1HD2 ASN 67 7.340 2.455 -8.858 522 HD22 ASN 67 2HD2 ASN 67 8.309 2.250 -10.276 523 H LEU 68 H LEU 68 8.874 -1.066 -4.858 524 HA LEU 68 HA LEU 68 7.800 0.404 -2.743 525 HB2 LEU 68 1HB LEU 68 8.621 -2.443 -3.109 526 HB3 LEU 68 2HB LEU 68 8.169 -1.875 -1.509 527 HG LEU 68 HG LEU 68 6.372 -1.493 -3.889 528 HD11 LEU 68 1HD1 LEU 68 5.183 -3.504 -3.211 529 HD12 LEU 68 2HD1 LEU 68 6.394 -3.814 -1.964 530 HD13 LEU 68 3HD1 LEU 68 6.843 -3.883 -3.668 531 HD21 LEU 68 1HD2 LEU 68 5.861 -1.595 -0.924 532 HD22 LEU 68 2HD2 LEU 68 4.655 -1.310 -2.181 533 HD23 LEU 68 3HD2 LEU 68 5.939 -0.134 -1.906 534 H VAL 69 H VAL 69 10.954 -1.172 -3.055 535 HA VAL 69 HA VAL 69 11.955 -0.352 -0.534 536 HB VAL 69 HB VAL 69 13.447 -1.062 -3.053 537 HG11 VAL 69 1HG1 VAL 69 14.896 0.146 -1.567 538 HG12 VAL 69 2HG1 VAL 69 15.310 -1.568 -1.488 539 HG13 VAL 69 3HG1 VAL 69 14.361 -0.824 -0.197 540 HG21 VAL 69 1HG2 VAL 69 11.941 -2.823 -2.234 541 HG22 VAL 69 2HG2 VAL 69 12.751 -2.757 -0.667 542 HG23 VAL 69 3HG2 VAL 69 13.640 -3.272 -2.101 543 H HIS 70 H HIS 70 12.178 1.033 -3.791 544 HA HIS 70 HA HIS 70 13.961 3.115 -3.122 545 HB2 HIS 70 1HB HIS 70 11.954 2.840 -5.359 546 HB3 HIS 70 2HB HIS 70 13.066 4.199 -5.232 547 HD1 HIS 70 HD1 HIS 70 13.681 2.993 -7.690 548 HD2 HIS 70 HD2 HIS 70 15.008 1.172 -4.201 549 HE1 HIS 70 HE1 HIS 70 15.550 1.472 -8.394 550 HE2 HIS 70 HE2 HIS 70 16.223 0.262 -6.290 551 H GLN 71 H GLN 71 10.553 2.763 -2.698 552 HA GLN 71 HA GLN 71 10.142 5.588 -2.105 553 HB2 GLN 71 1HB GLN 71 8.467 3.989 -3.283 554 HB3 GLN 71 2HB GLN 71 8.130 3.404 -1.655 555 HG2 GLN 71 1HG GLN 71 6.494 5.030 -2.159 556 HG3 GLN 71 2HG GLN 71 7.606 5.748 -0.995 557 HE21 GLN 71 1HE2 GLN 71 7.133 7.853 -1.568 558 HE22 GLN 71 2HE2 GLN 71 7.605 8.534 -3.077 559 H LEU 72 H LEU 72 9.596 2.508 -0.395 560 HA LEU 72 HA LEU 72 9.014 3.691 2.067 561 HB2 LEU 72 1HB LEU 72 9.894 0.904 1.376 562 HB3 LEU 72 2HB LEU 72 9.505 1.389 3.013 563 HG LEU 72 HG LEU 72 7.589 1.537 0.688 564 HD11 LEU 72 1HD1 LEU 72 8.150 -0.777 1.228 565 HD12 LEU 72 2HD1 LEU 72 6.501 -0.400 1.732 566 HD13 LEU 72 3HD1 LEU 72 7.795 -0.477 2.929 567 HD21 LEU 72 1HD2 LEU 72 5.907 1.771 2.527 568 HD22 LEU 72 2HD2 LEU 72 6.988 3.151 2.342 569 HD23 LEU 72 3HD2 LEU 72 7.250 1.994 3.649 570 H ALA 73 H ALA 73 12.072 2.367 0.840 571 HA ALA 73 HA ALA 73 13.463 2.736 3.298 572 HB1 ALA 73 1HB ALA 73 14.066 1.043 1.619 573 HB2 ALA 73 2HB ALA 73 15.425 2.064 2.099 574 HB3 ALA 73 3HB ALA 73 14.617 2.337 0.554 575 H HIS 74 H HIS 74 12.170 5.134 2.399 576 HA HIS 74 HA HIS 74 14.080 6.972 1.352 577 HB2 HIS 74 1HB HIS 74 11.643 7.355 1.169 578 HB3 HIS 74 2HB HIS 74 11.533 7.499 2.922 579 HD1 HIS 74 HD1 HIS 74 11.641 9.809 3.796 580 HD2 HIS 74 HD2 HIS 74 13.353 9.502 0.019 581 HE1 HIS 74 HE1 HIS 74 12.238 12.153 3.132 582 HE2 HIS 74 HE2 HIS 74 13.451 11.917 0.940 583 H GLY 75 H GLY 75 15.940 6.685 2.619 584 HA2 GLY 75 1HA GLY 75 17.270 7.881 4.189 585 HA3 GLY 75 2HA GLY 75 15.833 8.139 5.167 586 H ARG 76 H ARG 76 16.077 4.978 3.993 587 HA ARG 76 HA ARG 76 17.321 4.069 6.490 588 HB2 ARG 76 1HB ARG 76 14.600 3.474 5.474 589 HB3 ARG 76 2HB ARG 76 15.471 2.150 6.244 590 HG2 ARG 76 1HG ARG 76 15.823 3.721 8.194 591 HG3 ARG 76 2HG ARG 76 14.644 4.787 7.427 592 HD2 ARG 76 1HD ARG 76 13.087 2.808 7.377 593 HD3 ARG 76 2HD ARG 76 14.235 1.983 8.421 594 HE ARG 76 HE ARG 76 13.670 4.412 9.628 595 HH11 ARG 76 1HH1 ARG 76 11.967 1.506 8.721 596 HH12 ARG 76 2HH1 ARG 76 10.770 1.662 9.967 597 HH21 ARG 76 1HH2 ARG 76 12.092 4.624 11.281 598 HH22 ARG 76 2HH2 ARG 76 10.836 3.434 11.420 599 H ASP 77 H ASP 77 17.808 1.659 6.381 600 HA ASP 77 HA ASP 77 19.406 1.138 4.114 601 HB2 ASP 77 1HB ASP 77 19.927 0.284 6.350 602 HB3 ASP 77 2HB ASP 77 18.503 -0.748 6.293 603 H ALA 78 H ALA 78 18.784 0.534 2.228 604 HA ALA 78 HA ALA 78 16.167 -0.138 1.515 605 HB1 ALA 78 1HB ALA 78 17.829 0.895 0.028 606 HB2 ALA 78 2HB ALA 78 17.045 -0.510 -0.692 607 HB3 ALA 78 3HB ALA 78 18.682 -0.646 -0.051 608 H GLU 79 H GLU 79 18.934 -2.181 2.232 609 HA GLU 79 HA GLU 79 17.904 -4.568 1.123 610 HB2 GLU 79 1HB GLU 79 20.006 -4.052 3.214 611 HB3 GLU 79 2HB GLU 79 19.612 -5.665 2.632 612 HG2 GLU 79 1HG GLU 79 20.249 -5.058 0.394 613 HG3 GLU 79 2HG GLU 79 20.531 -3.393 0.889 614 H GLU 80 H GLU 80 17.866 -3.263 4.428 615 HA GLU 80 HA GLU 80 16.407 -5.330 5.636 616 HB2 GLU 80 1HB GLU 80 16.690 -2.404 6.205 617 HB3 GLU 80 2HB GLU 80 15.588 -3.395 7.149 618 HG2 GLU 80 1HG GLU 80 18.497 -4.011 6.799 619 HG3 GLU 80 2HG GLU 80 17.850 -3.084 8.146 620 H VAL 81 H VAL 81 15.303 -2.324 4.126 621 HA VAL 81 HA VAL 81 12.565 -2.659 4.493 622 HB VAL 81 HB VAL 81 14.082 -1.199 2.338 623 HG11 VAL 81 1HG1 VAL 81 11.831 -1.650 1.527 624 HG12 VAL 81 2HG1 VAL 81 12.000 0.055 1.951 625 HG13 VAL 81 3HG1 VAL 81 11.150 -1.047 3.038 626 HG21 VAL 81 1HG2 VAL 81 13.489 0.751 3.715 627 HG22 VAL 81 2HG2 VAL 81 14.516 -0.406 4.554 628 HG23 VAL 81 3HG2 VAL 81 12.790 -0.339 4.911 629 H ARG 82 H ARG 82 14.549 -3.519 1.656 630 HA ARG 82 HA ARG 82 12.637 -4.684 0.042 631 HB2 ARG 82 1HB ARG 82 15.011 -4.269 -0.543 632 HB3 ARG 82 2HB ARG 82 15.472 -5.637 0.456 633 HG2 ARG 82 1HG ARG 82 14.082 -7.088 -0.988 634 HG3 ARG 82 2HG ARG 82 13.809 -5.699 -2.042 635 HD2 ARG 82 1HD ARG 82 16.229 -5.482 -2.355 636 HD3 ARG 82 2HD ARG 82 16.478 -6.889 -1.330 637 HE ARG 82 HE ARG 82 14.785 -7.374 -3.609 638 HH11 ARG 82 1HH1 ARG 82 18.066 -7.327 -2.389 639 HH12 ARG 82 2HH1 ARG 82 18.666 -8.433 -3.583 640 HH21 ARG 82 1HH2 ARG 82 15.567 -8.819 -5.191 641 HH22 ARG 82 2HH2 ARG 82 17.236 -9.299 -5.169 642 H THR 83 H THR 83 14.412 -6.071 2.743 643 HA THR 83 HA THR 83 13.637 -8.745 2.389 644 HB THR 83 HB THR 83 14.622 -7.171 4.756 645 HG1 THR 83 HG1 THR 83 16.270 -7.545 3.416 646 HG21 THR 83 1HG2 THR 83 14.945 -9.298 5.953 647 HG22 THR 83 2HG2 THR 83 14.067 -10.140 4.676 648 HG23 THR 83 3HG2 THR 83 13.238 -8.949 5.679 649 H GLU 84 H GLU 84 12.385 -6.296 4.672 650 HA GLU 84 HA GLU 84 10.307 -7.921 5.648 651 HB2 GLU 84 1HB GLU 84 10.605 -4.916 5.699 652 HB3 GLU 84 2HB GLU 84 9.387 -5.817 6.597 653 HG2 GLU 84 1HG GLU 84 11.234 -7.069 7.700 654 HG3 GLU 84 2HG GLU 84 12.369 -5.964 6.930 655 H VAL 85 H VAL 85 10.389 -5.616 2.955 656 HA VAL 85 HA VAL 85 7.658 -5.616 2.350 657 HB VAL 85 HB VAL 85 10.098 -5.315 0.607 658 HG11 VAL 85 1HG1 VAL 85 7.211 -5.104 -0.240 659 HG12 VAL 85 2HG1 VAL 85 8.377 -6.308 -0.791 660 HG13 VAL 85 3HG1 VAL 85 8.597 -4.607 -1.212 661 HG21 VAL 85 1HG2 VAL 85 9.615 -3.501 2.139 662 HG22 VAL 85 2HG2 VAL 85 7.961 -3.398 1.527 663 HG23 VAL 85 3HG2 VAL 85 9.320 -2.992 0.475 664 H LEU 86 H LEU 86 10.250 -7.761 1.170 665 HA LEU 86 HA LEU 86 8.740 -9.347 -0.531 666 HB2 LEU 86 1HB LEU 86 11.204 -9.961 1.093 667 HB3 LEU 86 2HB LEU 86 10.513 -11.101 -0.059 668 HG LEU 86 HG LEU 86 11.368 -8.324 -0.832 669 HD11 LEU 86 1HD1 LEU 86 12.954 -10.881 -0.996 670 HD12 LEU 86 2HD1 LEU 86 13.275 -9.542 0.107 671 HD13 LEU 86 3HD1 LEU 86 13.439 -9.311 -1.635 672 HD21 LEU 86 1HD2 LEU 86 10.803 -10.841 -2.386 673 HD22 LEU 86 2HD2 LEU 86 11.450 -9.351 -3.077 674 HD23 LEU 86 3HD2 LEU 86 9.835 -9.367 -2.368 675 H LYS 87 H LYS 87 9.088 -9.507 2.950 676 HA LYS 87 HA LYS 87 7.931 -12.095 3.273 677 HB2 LYS 87 1HB LYS 87 8.329 -9.784 5.172 678 HB3 LYS 87 2HB LYS 87 7.592 -11.302 5.665 679 HG2 LYS 87 1HG LYS 87 9.617 -12.504 5.067 680 HG3 LYS 87 2HG LYS 87 10.363 -10.993 4.519 681 HD2 LYS 87 1HD LYS 87 11.133 -11.586 6.753 682 HD3 LYS 87 2HD LYS 87 10.185 -10.099 6.798 683 HE2 LYS 87 1HE LYS 87 9.628 -11.586 8.660 684 HE3 LYS 87 2HE LYS 87 8.250 -11.338 7.594 685 HZ1 LYS 87 1HZ LYS 87 8.541 -13.663 8.294 686 HZ2 LYS 87 2HZ LYS 87 10.034 -13.709 7.504 687 HZ3 LYS 87 3HZ LYS 87 8.614 -13.479 6.617 688 H CYS 88 H CYS 88 6.664 -9.033 2.567 689 HA CYS 88 HA CYS 88 3.987 -9.811 3.465 690 HB2 CYS 88 1HB CYS 88 5.287 -7.172 2.915 691 HB3 CYS 88 2HB CYS 88 3.519 -7.315 2.848 692 H VAL 89 H VAL 89 5.948 -9.676 0.734 693 HA VAL 89 HA VAL 89 3.932 -9.222 -1.227 694 HB VAL 89 HB VAL 89 6.634 -10.550 -1.453 695 HG11 VAL 89 1HG1 VAL 89 4.692 -9.708 -3.600 696 HG12 VAL 89 2HG1 VAL 89 5.193 -11.356 -3.225 697 HG13 VAL 89 3HG1 VAL 89 6.357 -10.213 -3.891 698 HG21 VAL 89 1HG2 VAL 89 5.668 -7.778 -2.143 699 HG22 VAL 89 2HG2 VAL 89 7.252 -8.425 -2.571 700 HG23 VAL 89 3HG2 VAL 89 6.814 -8.220 -0.876 701 H ASP 90 H ASP 90 2.223 -10.474 -1.052 702 HA ASP 90 HA ASP 90 2.560 -13.375 -0.800 703 HB2 ASP 90 1HB ASP 90 1.121 -12.021 0.843 704 HB3 ASP 90 2HB ASP 90 -0.010 -11.820 -0.496 705 H LYS 91 H LYS 91 0.617 -14.540 -1.998 706 HA LYS 91 HA LYS 91 0.759 -13.616 -4.788 707 HB2 LYS 91 1HB LYS 91 -0.062 -16.352 -3.825 708 HB3 LYS 91 2HB LYS 91 0.432 -15.871 -5.444 709 HG2 LYS 91 1HG LYS 91 2.207 -15.939 -3.029 710 HG3 LYS 91 2HG LYS 91 2.170 -17.131 -4.326 711 HD2 LYS 91 1HD LYS 91 2.942 -15.523 -5.922 712 HD3 LYS 91 2HD LYS 91 2.770 -14.209 -4.757 713 HE2 LYS 91 1HE LYS 91 5.107 -14.873 -5.017 714 HE3 LYS 91 2HE LYS 91 4.528 -15.182 -3.381 715 HZ1 LYS 91 1HZ LYS 91 4.260 -17.504 -3.933 716 HZ2 LYS 91 2HZ LYS 91 5.848 -17.017 -4.257 717 HZ3 LYS 91 3HZ LYS 91 4.752 -17.220 -5.528 718 H ASN 92 H ASN 92 -1.121 -13.947 -6.142 719 HA ASN 92 HA ASN 92 -3.498 -12.926 -4.874 720 HB2 ASN 92 1HB ASN 92 -2.671 -12.187 -7.128 721 HB3 ASN 92 2HB ASN 92 -3.098 -13.777 -7.745 722 HD21 ASN 92 1HD2 ASN 92 -4.446 -12.646 -9.227 723 HD22 ASN 92 2HD2 ASN 92 -6.019 -12.109 -8.742 724 H THR 93 H THR 93 -3.492 -14.969 -3.527 725 HA THR 93 HA THR 93 -4.238 -17.455 -4.664 726 HB THR 93 HB THR 93 -4.797 -18.086 -2.315 727 HG1 THR 93 HG1 THR 93 -5.522 -16.059 -1.528 728 HG21 THR 93 1HG2 THR 93 -2.522 -18.313 -3.148 729 HG22 THR 93 2HG2 THR 93 -2.525 -17.852 -1.447 730 HG23 THR 93 3HG2 THR 93 -2.173 -16.647 -2.684 731 H ASP 94 H ASP 94 -6.070 -14.730 -3.446 732 HA ASP 94 HA ASP 94 -8.532 -16.259 -3.388 733 HB2 ASP 94 1HB ASP 94 -7.945 -13.370 -2.715 734 HB3 ASP 94 2HB ASP 94 -9.535 -14.127 -2.555 735 H ASN 95 H ASN 95 -6.819 -14.606 -5.679 736 HA ASN 95 HA ASN 95 -7.209 -14.155 -7.849 737 HB2 ASN 95 1HB ASN 95 -9.752 -15.632 -7.250 738 HB3 ASN 95 2HB ASN 95 -9.428 -14.950 -8.832 739 HD21 ASN 95 1HD2 ASN 95 -6.910 -16.303 -6.805 740 HD22 ASN 95 2HD2 ASN 95 -6.613 -17.696 -7.796 741 H ASN 96 H ASN 96 -7.784 -12.118 -5.904 742 HA ASN 96 HA ASN 96 -9.368 -10.435 -7.692 743 HB2 ASN 96 1HB ASN 96 -9.880 -9.525 -5.021 744 HB3 ASN 96 2HB ASN 96 -11.035 -10.034 -6.246 745 HD21 ASN 96 1HD2 ASN 96 -11.941 -12.044 -6.118 746 HD22 ASN 96 2HD2 ASN 96 -11.732 -13.085 -4.753 747 H ALA 97 H ALA 97 -8.267 -8.679 -8.178 748 HA ALA 97 HA ALA 97 -5.655 -8.290 -7.203 749 HB1 ALA 97 1HB ALA 97 -5.578 -6.360 -8.657 750 HB2 ALA 97 2HB ALA 97 -7.332 -6.393 -8.830 751 HB3 ALA 97 3HB ALA 97 -6.359 -7.713 -9.475 752 H CYS 98 H CYS 98 -8.701 -6.657 -6.443 753 HA CYS 98 HA CYS 98 -7.591 -4.547 -4.909 754 HB2 CYS 98 1HB CYS 98 -10.277 -5.903 -4.557 755 HB3 CYS 98 2HB CYS 98 -9.810 -4.346 -3.884 756 H HIS 99 H HIS 99 -8.440 -7.863 -4.163 757 HA HIS 99 HA HIS 99 -8.131 -7.594 -1.319 758 HB2 HIS 99 1HB HIS 99 -9.536 -9.308 -2.692 759 HB3 HIS 99 2HB HIS 99 -8.025 -10.191 -2.844 760 HD1 HIS 99 HD1 HIS 99 -10.224 -11.632 -1.500 761 HD2 HIS 99 HD2 HIS 99 -7.646 -9.135 0.612 762 HE1 HIS 99 HE1 HIS 99 -10.345 -12.398 0.891 763 HE2 HIS 99 HE2 HIS 99 -8.862 -10.809 2.165 764 H TRP 100 H TRP 100 -6.143 -8.324 -4.035 765 HA TRP 100 HA TRP 100 -4.021 -9.618 -2.641 766 HB2 TRP 100 1HB TRP 100 -4.513 -9.908 -5.074 767 HB3 TRP 100 2HB TRP 100 -3.954 -8.259 -5.351 768 HD1 TRP 100 HD1 TRP 100 -1.763 -9.855 -2.846 769 HE1 TRP 100 HE1 TRP 100 0.406 -10.693 -3.942 770 HE3 TRP 100 HE3 TRP 100 -3.134 -9.476 -7.758 771 HZ2 TRP 100 HZ2 TRP 100 1.402 -11.143 -6.540 772 HZ3 TRP 100 HZ3 TRP 100 -1.516 -10.132 -9.487 773 HH2 TRP 100 HH2 TRP 100 0.704 -10.950 -8.897 774 H ALA 101 H ALA 101 -4.375 -6.369 -4.061 775 HA ALA 101 HA ALA 101 -1.901 -5.360 -3.212 776 HB1 ALA 101 1HB ALA 101 -4.463 -3.881 -3.780 777 HB2 ALA 101 2HB ALA 101 -3.213 -4.297 -4.950 778 HB3 ALA 101 3HB ALA 101 -2.864 -3.149 -3.658 779 H PHE 102 H PHE 102 -5.067 -5.398 -1.675 780 HA PHE 102 HA PHE 102 -4.389 -3.697 0.458 781 HB2 PHE 102 1HB PHE 102 -6.708 -4.173 -0.190 782 HB3 PHE 102 2HB PHE 102 -6.532 -5.827 0.393 783 HD1 PHE 102 HD1 PHE 102 -6.880 -6.320 2.680 784 HD2 PHE 102 HD2 PHE 102 -6.457 -2.277 1.422 785 HE1 PHE 102 HE1 PHE 102 -7.560 -5.555 4.917 786 HE2 PHE 102 HE2 PHE 102 -7.129 -1.507 3.660 787 HZ PHE 102 HZ PHE 102 -7.682 -3.145 5.410 788 H ARG 103 H ARG 103 -3.922 -7.088 -0.132 789 HA ARG 103 HA ARG 103 -3.437 -7.917 2.538 790 HB2 ARG 103 1HB ARG 103 -3.962 -9.492 0.698 791 HB3 ARG 103 2HB ARG 103 -2.406 -9.115 -0.030 792 HG2 ARG 103 1HG ARG 103 -1.224 -10.065 1.805 793 HG3 ARG 103 2HG ARG 103 -2.715 -10.261 2.722 794 HD2 ARG 103 1HD ARG 103 -2.110 -11.656 0.110 795 HD3 ARG 103 2HD ARG 103 -1.904 -12.375 1.706 796 HE ARG 103 HE ARG 103 -4.492 -11.540 1.682 797 HH11 ARG 103 1HH1 ARG 103 -2.546 -13.609 -0.381 798 HH12 ARG 103 2HH1 ARG 103 -3.891 -14.610 -0.845 799 HH21 ARG 103 1HH2 ARG 103 -6.238 -12.859 1.098 800 HH22 ARG 103 2HH2 ARG 103 -6.002 -14.179 -0.012 801 H GLY 104 H GLY 104 -1.331 -6.838 -0.097 802 HA2 GLY 104 1HA GLY 104 1.130 -7.186 1.248 803 HA3 GLY 104 2HA GLY 104 0.842 -6.078 -0.099 804 H PHE 105 H PHE 105 -0.983 -4.354 0.947 805 HA PHE 105 HA PHE 105 0.605 -2.586 2.431 806 HB2 PHE 105 1HB PHE 105 -1.067 -1.660 1.044 807 HB3 PHE 105 2HB PHE 105 -2.322 -2.657 1.759 808 HD1 PHE 105 HD1 PHE 105 -3.889 -1.224 2.677 809 HD2 PHE 105 HD2 PHE 105 0.254 -0.443 3.303 810 HE1 PHE 105 HE1 PHE 105 -4.471 0.634 4.170 811 HE2 PHE 105 HE2 PHE 105 -0.336 1.427 4.801 812 HZ PHE 105 HZ PHE 105 -2.693 1.962 5.235 813 H LYS 106 H LYS 106 -2.132 -4.611 3.377 814 HA LYS 106 HA LYS 106 -2.365 -3.779 6.025 815 HB2 LYS 106 1HB LYS 106 -4.198 -4.950 5.329 816 HB3 LYS 106 2HB LYS 106 -3.258 -6.157 4.459 817 HG2 LYS 106 1HG LYS 106 -2.606 -7.087 6.699 818 HG3 LYS 106 2HG LYS 106 -3.785 -5.982 7.415 819 HD2 LYS 106 1HD LYS 106 -5.509 -6.989 5.897 820 HD3 LYS 106 2HD LYS 106 -4.310 -8.198 5.439 821 HE2 LYS 106 1HE LYS 106 -5.650 -9.170 7.139 822 HE3 LYS 106 2HE LYS 106 -4.105 -8.761 7.881 823 HZ1 LYS 106 1HZ LYS 106 -6.692 -7.348 8.159 824 HZ2 LYS 106 2HZ LYS 106 -5.221 -6.645 8.621 825 HZ3 LYS 106 3HZ LYS 106 -5.753 -8.060 9.375 826 H CYS 107 H CYS 107 -0.489 -6.446 4.631 827 HA CYS 107 HA CYS 107 0.400 -7.572 7.024 828 HB2 CYS 107 1HB CYS 107 0.627 -8.859 5.064 829 HB3 CYS 107 2HB CYS 107 1.505 -7.591 4.218 830 H PHE 108 H PHE 108 1.793 -5.031 4.999 831 HA PHE 108 HA PHE 108 4.257 -4.948 6.444 832 HB2 PHE 108 1HB PHE 108 3.887 -4.356 3.999 833 HB3 PHE 108 2HB PHE 108 3.210 -2.833 4.576 834 HD1 PHE 108 HD1 PHE 108 6.237 -4.837 4.175 835 HD2 PHE 108 HD2 PHE 108 4.644 -1.142 5.568 836 HE1 PHE 108 HE1 PHE 108 8.505 -3.895 4.266 837 HE2 PHE 108 HE2 PHE 108 6.911 -0.196 5.654 838 HZ PHE 108 HZ PHE 108 8.843 -1.572 4.998 839 H GLN 109 H GLN 109 1.393 -2.839 6.272 840 HA GLN 109 HA GLN 109 2.375 -0.895 8.063 841 HB2 GLN 109 1HB GLN 109 0.118 -0.036 8.141 842 HB3 GLN 109 2HB GLN 109 0.561 -0.440 6.493 843 HG2 GLN 109 1HG GLN 109 -1.501 -1.328 6.469 844 HG3 GLN 109 2HG GLN 109 -0.678 -2.711 7.190 845 HE21 GLN 109 1HE2 GLN 109 -1.169 -3.304 9.253 846 HE22 GLN 109 2HE2 GLN 109 -2.394 -2.538 10.209 847 H LYS 110 H LYS 110 1.257 -4.028 8.611 848 HA LYS 110 HA LYS 110 0.075 -3.738 11.165 849 HB2 LYS 110 1HB LYS 110 -0.180 -5.690 9.648 850 HB3 LYS 110 2HB LYS 110 1.486 -6.131 9.980 851 HG2 LYS 110 1HG LYS 110 0.862 -6.324 12.381 852 HG3 LYS 110 2HG LYS 110 -0.812 -6.057 11.905 853 HD2 LYS 110 1HD LYS 110 -0.740 -8.029 10.478 854 HD3 LYS 110 2HD LYS 110 0.945 -8.297 10.919 855 HE2 LYS 110 1HE LYS 110 -1.386 -8.317 12.831 856 HE3 LYS 110 2HE LYS 110 -0.599 -9.748 12.170 857 HZ1 LYS 110 1HZ LYS 110 0.706 -7.698 13.877 858 HZ2 LYS 110 2HZ LYS 110 1.453 -9.080 13.253 859 HZ3 LYS 110 3HZ LYS 110 0.206 -9.232 14.385 860 H ASN 111 H ASN 111 3.354 -3.746 10.067 861 HA ASN 111 HA ASN 111 4.256 -3.803 12.871 862 HB2 ASN 111 1HB ASN 111 5.719 -5.000 10.514 863 HB3 ASN 111 2HB ASN 111 6.313 -4.923 12.169 864 HD21 ASN 111 1HD2 ASN 111 4.166 -6.495 9.972 865 HD22 ASN 111 2HD2 ASN 111 3.703 -7.783 11.022 866 H ASN 112 H ASN 112 4.556 -2.415 9.685 867 HA ASN 112 HA ASN 112 6.513 -0.493 10.761 868 HB2 ASN 112 1HB ASN 112 6.593 -1.842 8.050 869 HB3 ASN 112 2HB ASN 112 7.637 -0.505 8.547 870 HD21 ASN 112 1HD2 ASN 112 8.020 -3.445 7.838 871 HD22 ASN 112 2HD2 ASN 112 9.055 -4.036 9.098 872 H LEU 113 H LEU 113 4.146 0.438 10.966 873 HA LEU 113 HA LEU 113 3.120 1.552 8.514 874 HB2 LEU 113 1HB LEU 113 1.510 0.925 10.157 875 HB3 LEU 113 2HB LEU 113 2.289 1.901 11.386 876 HG LEU 113 HG LEU 113 1.655 3.933 10.088 877 HD11 LEU 113 1HD1 LEU 113 1.490 2.803 7.897 878 HD12 LEU 113 2HD1 LEU 113 0.069 3.768 8.297 879 HD13 LEU 113 3HD1 LEU 113 0.014 2.014 8.454 880 HD21 LEU 113 1HD2 LEU 113 -0.685 3.888 10.722 881 HD22 LEU 113 2HD2 LEU 113 0.294 3.097 11.958 882 HD23 LEU 113 3HD2 LEU 113 -0.642 2.128 10.823 883 H SER 114 H SER 114 5.123 2.578 11.163 884 HA SER 114 HA SER 114 4.985 5.364 10.763 885 HB2 SER 114 1HB SER 114 7.336 5.232 11.885 886 HB3 SER 114 2HB SER 114 5.919 4.719 12.804 887 HG SER 114 HG SER 114 7.143 2.999 13.056 888 H LEU 115 H LEU 115 6.873 2.850 9.198 889 HA LEU 115 HA LEU 115 8.648 4.582 7.822 890 HB2 LEU 115 1HB LEU 115 9.055 2.173 8.150 891 HB3 LEU 115 2HB LEU 115 7.725 1.815 7.065 892 HG LEU 115 HG LEU 115 8.954 2.961 5.239 893 HD11 LEU 115 1HD1 LEU 115 10.314 4.480 6.462 894 HD12 LEU 115 2HD1 LEU 115 11.394 3.356 5.635 895 HD13 LEU 115 3HD1 LEU 115 11.069 3.168 7.360 896 HD21 LEU 115 1HD2 LEU 115 10.641 1.197 4.929 897 HD22 LEU 115 2HD2 LEU 115 9.088 0.551 5.457 898 HD23 LEU 115 3HD2 LEU 115 10.414 0.704 6.606 899 H ILE 116 H ILE 116 5.465 3.304 7.170 900 HA ILE 116 HA ILE 116 5.286 4.039 4.452 901 HB ILE 116 HB ILE 116 3.157 3.524 6.533 902 HG12 ILE 116 1HG1 ILE 116 4.141 1.843 4.215 903 HG13 ILE 116 2HG1 ILE 116 4.652 1.636 5.893 904 HG21 ILE 116 1HG2 ILE 116 1.594 3.296 4.627 905 HG22 ILE 116 2HG2 ILE 116 2.851 3.932 3.564 906 HG23 ILE 116 3HG2 ILE 116 2.184 4.946 4.844 907 HD11 ILE 116 1HD1 ILE 116 2.268 1.195 6.474 908 HD12 ILE 116 2HD1 ILE 116 2.991 0.003 5.399 909 HD13 ILE 116 3HD1 ILE 116 1.904 1.226 4.750 910 H LYS 117 H LYS 117 4.535 5.676 7.463 911 HA LYS 117 HA LYS 117 3.398 8.001 6.286 912 HB2 LYS 117 1HB LYS 117 4.592 7.487 9.008 913 HB3 LYS 117 2HB LYS 117 3.847 9.015 8.554 914 HG2 LYS 117 1HG LYS 117 1.725 7.882 8.171 915 HG3 LYS 117 2HG LYS 117 2.459 6.332 8.582 916 HD2 LYS 117 1HD LYS 117 2.905 7.118 10.842 917 HD3 LYS 117 2HD LYS 117 2.253 8.708 10.442 918 HE2 LYS 117 1HE LYS 117 0.056 7.718 10.059 919 HE3 LYS 117 2HE LYS 117 0.705 6.118 10.407 920 HZ1 LYS 117 1HZ LYS 117 1.187 6.830 12.659 921 HZ2 LYS 117 2HZ LYS 117 -0.450 7.067 12.315 922 HZ3 LYS 117 3HZ LYS 117 0.608 8.383 12.326 923 H ALA 118 H ALA 118 6.625 6.938 7.017 924 HA ALA 118 HA ALA 118 7.831 9.553 6.830 925 HB1 ALA 118 1HB ALA 118 9.924 8.344 7.124 926 HB2 ALA 118 2HB ALA 118 9.065 6.813 6.937 927 HB3 ALA 118 3HB ALA 118 8.725 7.853 8.320 928 H SER 119 H SER 119 7.368 6.791 4.722 929 HA SER 119 HA SER 119 9.321 7.419 2.813 930 HB2 SER 119 1HB SER 119 7.980 5.909 1.322 931 HB3 SER 119 2HB SER 119 8.385 5.220 2.894 932 HG SER 119 HG SER 119 5.920 5.978 1.867 933 H ILE 120 H ILE 120 6.053 8.574 3.242 934 HA ILE 120 HA ILE 120 6.136 9.982 0.689 935 HB ILE 120 HB ILE 120 3.840 10.721 1.252 936 HG12 ILE 120 1HG1 ILE 120 4.076 8.862 3.623 937 HG13 ILE 120 2HG1 ILE 120 4.165 10.619 3.739 938 HG21 ILE 120 1HG2 ILE 120 4.195 8.717 -0.062 939 HG22 ILE 120 2HG2 ILE 120 2.791 8.524 0.987 940 HG23 ILE 120 3HG2 ILE 120 4.320 7.756 1.410 941 HD11 ILE 120 1HD1 ILE 120 1.817 9.025 2.747 942 HD12 ILE 120 2HD1 ILE 120 1.906 10.783 2.824 943 HD13 ILE 120 3HD1 ILE 120 1.954 9.832 4.308 944 H LYS 121 H LYS 121 7.250 10.521 3.745 945 HA LYS 121 HA LYS 121 6.676 13.375 3.777 946 HB2 LYS 121 1HB LYS 121 6.617 12.082 5.883 947 HB3 LYS 121 2HB LYS 121 8.310 11.669 5.667 948 HG2 LYS 121 1HG LYS 121 8.956 13.987 5.914 949 HG3 LYS 121 2HG LYS 121 7.261 14.475 5.994 950 HD2 LYS 121 1HD LYS 121 6.966 13.226 8.053 951 HD3 LYS 121 2HD LYS 121 8.621 12.632 7.955 952 HE2 LYS 121 1HE LYS 121 7.921 15.552 8.148 953 HE3 LYS 121 2HE LYS 121 8.230 14.538 9.554 954 HZ1 LYS 121 1HZ LYS 121 10.119 15.346 7.421 955 HZ2 LYS 121 2HZ LYS 121 10.428 14.014 8.420 956 HZ3 LYS 121 3HZ LYS 121 10.256 15.553 9.098 957 H LYS 122 H LYS 122 7.905 14.673 2.588 958 HA LYS 122 HA LYS 122 10.797 14.094 2.431 959 HB2 LYS 122 1HB LYS 122 9.042 14.465 0.301 960 HB3 LYS 122 2HB LYS 122 9.821 16.019 0.491 961 HG2 LYS 122 1HG LYS 122 12.015 14.974 0.344 962 HG3 LYS 122 2HG LYS 122 11.251 13.399 0.132 963 HD2 LYS 122 1HD LYS 122 10.374 13.998 -1.972 964 HD3 LYS 122 2HD LYS 122 10.698 15.713 -1.706 965 HE2 LYS 122 1HE LYS 122 12.805 13.571 -1.979 966 HE3 LYS 122 2HE LYS 122 12.294 14.656 -3.272 967 HZ1 LYS 122 1HZ LYS 122 13.551 15.477 -0.706 968 HZ2 LYS 122 2HZ LYS 122 13.027 16.535 -1.915 969 HZ3 LYS 122 3HZ LYS 122 14.298 15.466 -2.221 970 H ASP 123 H ASP 123 8.861 15.658 4.233 971 HA ASP 123 HA ASP 123 9.825 18.349 4.090 972 HB2 ASP 123 1HB ASP 123 7.611 17.781 5.053 973 HB3 ASP 123 2HB ASP 123 8.421 16.939 6.369 974 H21 ACD 201 H21 ACD 1 -4.161 4.095 1.446 975 H22 ACD 201 H22 ACD 1 -3.286 4.878 2.772 976 H31 ACD 201 H31 ACD 1 -2.012 6.241 1.267 977 H32 ACD 201 H32 ACD 1 -3.062 5.863 -0.093 978 H41 ACD 201 H41 ACD 1 -2.305 3.488 -0.022 979 H42 ACD 201 H42 ACD 1 -0.953 4.608 -0.271 980 H5 ACD 201 H5 ACD 1 -1.499 2.959 2.249 981 H6 ACD 201 H6 ACD 1 0.627 3.851 2.895 982 H71 ACD 201 H71 ACD 1 0.903 5.057 0.220 983 H72 ACD 201 H72 ACD 1 0.003 6.205 1.211 984 H8 ACD 201 H8 ACD 1 1.970 6.598 2.636 985 H9 ACD 201 H9 ACD 1 4.046 5.606 2.009 986 H101 ACD 201 H101 ACD 1 2.920 4.687 -0.503 987 H102 ACD 201 H102 ACD 1 2.424 3.467 0.671 988 H11 ACD 201 H11 ACD 1 5.414 4.243 0.501 989 H12 ACD 201 H12 ACD 1 5.659 1.894 0.242 990 H131 ACD 201 H131 ACD 1 2.672 2.013 -0.419 991 H132 ACD 201 H132 ACD 1 3.733 0.610 -0.577 992 H14 ACD 201 H14 ACD 1 2.683 1.637 2.158 993 H15 ACD 201 H15 ACD 1 2.595 -0.710 2.578 994 H161 ACD 201 H161 ACD 1 2.731 -1.376 -0.230 995 H162 ACD 201 H162 ACD 1 4.398 -0.955 0.182 996 H171 ACD 201 H171 ACD 1 4.500 -2.658 1.894 997 H172 ACD 201 H172 ACD 1 2.766 -2.963 1.779 998 H181 ACD 201 H181 ACD 1 4.774 -3.451 -0.464 999 H182 ACD 201 H182 ACD 1 3.043 -3.798 -0.535 1000 H191 ACD 201 H191 ACD 1 5.068 -5.065 1.360 1001 H192 ACD 201 H192 ACD 1 3.327 -5.351 1.439 1002 H201 ACD 201 H201 ACD 1 3.400 -6.233 -0.880 1003 H202 ACD 201 H202 ACD 1 4.442 -7.127 0.175 1004 H203 ACD 201 H203 ACD 1 5.112 -5.974 -0.928 Start of MODEL 6 1 H1 MET 1 1H MET 1 11.754 3.305 -15.378 2 H2 MET 1 2H MET 1 12.417 2.369 -14.138 3 H3 MET 1 3H MET 1 12.588 1.880 -15.747 4 HA MET 1 HA MET 1 14.640 2.802 -14.963 5 HB2 MET 1 1HB MET 1 13.216 4.685 -16.858 6 HB3 MET 1 2HB MET 1 14.955 4.555 -16.659 7 HG2 MET 1 1HG MET 1 13.133 2.396 -17.687 8 HG3 MET 1 2HG MET 1 14.186 3.413 -18.663 9 HE1 MET 1 1HE MET 1 17.746 2.237 -17.567 10 HE2 MET 1 2HE MET 1 16.833 3.563 -16.849 11 HE3 MET 1 3HE MET 1 16.812 3.324 -18.594 12 H GLU 2 H GLU 2 12.333 5.515 -15.209 13 HA GLU 2 HA GLU 2 13.772 6.857 -13.040 14 HB2 GLU 2 1HB GLU 2 11.712 7.927 -14.965 15 HB3 GLU 2 2HB GLU 2 12.579 8.871 -13.765 16 HG2 GLU 2 1HG GLU 2 14.660 8.484 -14.901 17 HG3 GLU 2 2HG GLU 2 13.874 7.388 -16.035 18 H PHE 3 H PHE 3 12.973 6.872 -11.077 19 HA PHE 3 HA PHE 3 10.095 6.387 -10.729 20 HB2 PHE 3 1HB PHE 3 11.423 4.591 -9.792 21 HB3 PHE 3 2HB PHE 3 12.383 5.744 -8.862 22 HD1 PHE 3 HD1 PHE 3 8.883 4.575 -9.322 23 HD2 PHE 3 HD2 PHE 3 11.783 6.227 -6.688 24 HE1 PHE 3 HE1 PHE 3 7.288 4.380 -7.455 25 HE2 PHE 3 HE2 PHE 3 10.197 6.037 -4.814 26 HZ PHE 3 HZ PHE 3 7.947 5.112 -5.197 27 H THR 4 H THR 4 8.952 7.987 -9.972 28 HA THR 4 HA THR 4 10.271 10.175 -8.509 29 HB THR 4 HB THR 4 7.436 10.528 -9.153 30 HG1 THR 4 HG1 THR 4 9.316 10.395 -11.306 31 HG21 THR 4 1HG2 THR 4 8.859 12.325 -8.368 32 HG22 THR 4 2HG2 THR 4 8.268 12.677 -9.991 33 HG23 THR 4 3HG2 THR 4 9.923 12.116 -9.759 34 H VAL 5 H VAL 5 10.114 10.110 -6.382 35 HA VAL 5 HA VAL 5 8.397 8.212 -5.084 36 HB VAL 5 HB VAL 5 9.497 8.630 -3.137 37 HG11 VAL 5 1HG1 VAL 5 11.817 9.077 -3.487 38 HG12 VAL 5 2HG1 VAL 5 11.473 9.842 -5.035 39 HG13 VAL 5 3HG1 VAL 5 11.174 8.118 -4.818 40 HG21 VAL 5 1HG2 VAL 5 8.691 10.888 -2.763 41 HG22 VAL 5 2HG2 VAL 5 9.874 11.522 -3.909 42 HG23 VAL 5 3HG2 VAL 5 10.413 10.786 -2.399 43 H SER 6 H SER 6 6.524 8.469 -4.125 44 HA SER 6 HA SER 6 5.022 10.834 -4.822 45 HB2 SER 6 1HB SER 6 3.114 9.499 -3.846 46 HB3 SER 6 2HB SER 6 3.954 8.719 -5.187 47 HG SER 6 HG SER 6 4.947 8.178 -2.659 48 H THR 7 H THR 7 5.105 12.562 -3.522 49 HA THR 7 HA THR 7 5.688 12.278 -0.710 50 HB THR 7 HB THR 7 5.547 14.733 -0.642 51 HG1 THR 7 HG1 THR 7 4.809 14.452 -3.402 52 HG21 THR 7 1HG2 THR 7 7.422 15.206 -2.153 53 HG22 THR 7 2HG2 THR 7 7.136 13.679 -2.988 54 HG23 THR 7 3HG2 THR 7 7.653 13.679 -1.302 55 H THR 8 H THR 8 4.238 13.718 0.810 56 HA THR 8 HA THR 8 1.767 12.482 1.065 57 HB THR 8 HB THR 8 2.372 15.231 2.141 58 HG1 THR 8 HG1 THR 8 3.823 13.041 2.502 59 HG21 THR 8 1HG2 THR 8 0.713 12.922 3.153 60 HG22 THR 8 2HG2 THR 8 0.111 14.459 2.536 61 HG23 THR 8 3HG2 THR 8 1.016 14.411 4.047 62 H GLU 9 H GLU 9 2.583 15.593 -0.421 63 HA GLU 9 HA GLU 9 0.010 16.482 -0.996 64 HB2 GLU 9 1HB GLU 9 2.586 16.942 -2.497 65 HB3 GLU 9 2HB GLU 9 1.083 17.768 -2.866 66 HG2 GLU 9 1HG GLU 9 2.391 19.232 -1.552 67 HG3 GLU 9 2HG GLU 9 1.080 18.639 -0.532 68 H ASP 10 H ASP 10 2.223 14.539 -2.991 69 HA ASP 10 HA ASP 10 0.511 14.271 -5.205 70 HB2 ASP 10 1HB ASP 10 2.579 12.261 -4.288 71 HB3 ASP 10 2HB ASP 10 1.895 12.416 -5.903 72 H LEU 11 H LEU 11 0.901 12.390 -2.260 73 HA LEU 11 HA LEU 11 -0.721 10.243 -2.997 74 HB2 LEU 11 1HB LEU 11 0.790 10.078 -1.126 75 HB3 LEU 11 2HB LEU 11 -0.116 11.312 -0.239 76 HG LEU 11 HG LEU 11 -2.058 9.772 -0.201 77 HD11 LEU 11 1HD1 LEU 11 -1.777 7.456 -0.839 78 HD12 LEU 11 2HD1 LEU 11 -0.128 7.782 -1.373 79 HD13 LEU 11 3HD1 LEU 11 -1.492 8.507 -2.223 80 HD21 LEU 11 1HD2 LEU 11 0.453 8.531 0.907 81 HD22 LEU 11 2HD2 LEU 11 -1.193 8.297 1.494 82 HD23 LEU 11 3HD2 LEU 11 -0.416 9.873 1.652 83 H GLN 12 H GLN 12 -1.485 13.331 -1.458 84 HA GLN 12 HA GLN 12 -4.174 12.764 -0.815 85 HB2 GLN 12 1HB GLN 12 -2.811 15.383 -1.432 86 HB3 GLN 12 2HB GLN 12 -4.469 15.261 -0.867 87 HG2 GLN 12 1HG GLN 12 -3.652 14.180 1.193 88 HG3 GLN 12 2HG GLN 12 -2.000 14.407 0.622 89 HE21 GLN 12 1HE2 GLN 12 -3.333 15.463 3.001 90 HE22 GLN 12 2HE2 GLN 12 -3.193 17.186 2.894 91 H ARG 13 H ARG 13 -2.607 13.747 -3.747 92 HA ARG 13 HA ARG 13 -4.931 14.503 -5.182 93 HB2 ARG 13 1HB ARG 13 -2.668 15.175 -5.853 94 HB3 ARG 13 2HB ARG 13 -2.263 13.501 -6.187 95 HG2 ARG 13 1HG ARG 13 -3.949 13.449 -7.962 96 HG3 ARG 13 2HG ARG 13 -4.331 15.150 -7.630 97 HD2 ARG 13 1HD ARG 13 -2.051 15.778 -8.191 98 HD3 ARG 13 2HD ARG 13 -1.640 14.087 -8.475 99 HE ARG 13 HE ARG 13 -3.778 14.660 -10.130 100 HH11 ARG 13 1HH1 ARG 13 -0.493 15.784 -9.697 101 HH12 ARG 13 2HH1 ARG 13 -0.285 16.215 -11.364 102 HH21 ARG 13 1HH2 ARG 13 -3.505 15.191 -12.329 103 HH22 ARG 13 2HH2 ARG 13 -2.000 15.865 -12.868 104 H TYR 14 H TYR 14 -3.058 11.483 -4.968 105 HA TYR 14 HA TYR 14 -4.608 10.096 -6.886 106 HB2 TYR 14 1HB TYR 14 -2.854 8.981 -4.689 107 HB3 TYR 14 2HB TYR 14 -3.516 8.061 -6.036 108 HD1 TYR 14 HD1 TYR 14 -0.557 9.254 -4.975 109 HD2 TYR 14 HD2 TYR 14 -3.100 9.601 -8.366 110 HE1 TYR 14 HE1 TYR 14 1.386 9.833 -6.367 111 HE2 TYR 14 HE2 TYR 14 -1.165 10.168 -9.766 112 HH TYR 14 HH TYR 14 2.059 9.784 -8.698 113 H ARG 15 H ARG 15 -4.916 10.420 -3.373 114 HA ARG 15 HA ARG 15 -6.837 8.434 -2.951 115 HB2 ARG 15 1HB ARG 15 -7.113 11.087 -1.580 116 HB3 ARG 15 2HB ARG 15 -7.436 9.489 -0.953 117 HG2 ARG 15 1HG ARG 15 -4.936 9.088 -0.995 118 HG3 ARG 15 2HG ARG 15 -4.767 10.820 -1.308 119 HD2 ARG 15 1HD ARG 15 -6.332 11.068 0.768 120 HD3 ARG 15 2HD ARG 15 -5.814 9.426 1.132 121 HE ARG 15 HE ARG 15 -3.880 11.618 0.779 122 HH11 ARG 15 1HH1 ARG 15 -5.002 8.799 2.527 123 HH12 ARG 15 2HH1 ARG 15 -3.922 9.050 3.862 124 HH21 ARG 15 1HH2 ARG 15 -2.436 11.925 2.541 125 HH22 ARG 15 2HH2 ARG 15 -2.461 10.806 3.864 126 H THR 16 H THR 16 -7.239 11.834 -3.814 127 HA THR 16 HA THR 16 -10.028 11.906 -3.925 128 HB THR 16 HB THR 16 -8.291 13.531 -5.761 129 HG1 THR 16 HG1 THR 16 -7.191 13.964 -3.951 130 HG21 THR 16 1HG2 THR 16 -9.912 15.280 -5.234 131 HG22 THR 16 2HG2 THR 16 -10.755 14.178 -4.145 132 HG23 THR 16 3HG2 THR 16 -10.709 13.845 -5.877 133 H GLU 17 H GLU 17 -7.670 11.218 -6.501 134 HA GLU 17 HA GLU 17 -9.587 10.995 -8.582 135 HB2 GLU 17 1HB GLU 17 -6.954 9.526 -8.553 136 HB3 GLU 17 2HB GLU 17 -7.862 10.116 -9.933 137 HG2 GLU 17 1HG GLU 17 -6.477 11.847 -7.902 138 HG3 GLU 17 2HG GLU 17 -5.917 11.500 -9.543 139 H CYS 18 H CYS 18 -8.398 8.687 -6.234 140 HA CYS 18 HA CYS 18 -9.722 6.481 -7.543 141 HB2 CYS 18 1HB CYS 18 -8.365 6.693 -4.853 142 HB3 CYS 18 2HB CYS 18 -9.045 5.202 -5.523 143 H VAL 19 H VAL 19 -10.437 8.771 -5.033 144 HA VAL 19 HA VAL 19 -12.592 7.356 -3.880 145 HB VAL 19 HB VAL 19 -11.695 10.211 -3.750 146 HG11 VAL 19 1HG1 VAL 19 -13.531 10.741 -2.251 147 HG12 VAL 19 2HG1 VAL 19 -14.226 9.141 -2.509 148 HG13 VAL 19 3HG1 VAL 19 -14.142 10.293 -3.846 149 HG21 VAL 19 1HG2 VAL 19 -11.545 9.651 -1.341 150 HG22 VAL 19 2HG2 VAL 19 -10.533 8.630 -2.361 151 HG23 VAL 19 3HG2 VAL 19 -12.055 8.005 -1.728 152 H SER 20 H SER 20 -12.426 10.005 -6.210 153 HA SER 20 HA SER 20 -15.172 10.247 -6.669 154 HB2 SER 20 1HB SER 20 -12.832 10.873 -8.477 155 HB3 SER 20 2HB SER 20 -14.476 11.472 -8.707 156 HG SER 20 HG SER 20 -14.280 12.495 -6.646 157 H SER 21 H SER 21 -12.766 8.102 -8.141 158 HA SER 21 HA SER 21 -14.553 7.354 -10.280 159 HB2 SER 21 1HB SER 21 -12.696 5.714 -10.825 160 HB3 SER 21 2HB SER 21 -12.245 7.417 -10.853 161 HG SER 21 HG SER 21 -10.971 7.126 -9.185 162 H LEU 22 H LEU 22 -13.251 5.760 -7.353 163 HA LEU 22 HA LEU 22 -14.715 3.348 -7.947 164 HB2 LEU 22 1HB LEU 22 -13.041 4.159 -5.575 165 HB3 LEU 22 2HB LEU 22 -13.808 2.578 -5.740 166 HG LEU 22 HG LEU 22 -11.738 3.706 -7.624 167 HD11 LEU 22 1HD1 LEU 22 -11.511 1.578 -5.498 168 HD12 LEU 22 2HD1 LEU 22 -10.819 3.197 -5.409 169 HD13 LEU 22 3HD1 LEU 22 -10.239 2.056 -6.625 170 HD21 LEU 22 1HD2 LEU 22 -13.263 2.190 -8.730 171 HD22 LEU 22 2HD2 LEU 22 -13.036 0.996 -7.453 172 HD23 LEU 22 3HD2 LEU 22 -11.692 1.419 -8.512 173 H ASN 23 H ASN 23 -15.886 6.133 -7.045 174 HA ASN 23 HA ASN 23 -17.676 6.911 -5.867 175 HB2 ASN 23 1HB ASN 23 -18.490 4.020 -6.148 176 HB3 ASN 23 2HB ASN 23 -19.545 5.279 -5.542 177 HD21 ASN 23 1HD2 ASN 23 -20.306 6.861 -6.942 178 HD22 ASN 23 2HD2 ASN 23 -20.238 6.667 -8.662 179 H ILE 24 H ILE 24 -15.432 6.306 -4.293 180 HA ILE 24 HA ILE 24 -16.096 4.829 -1.966 181 HB ILE 24 HB ILE 24 -14.055 7.042 -2.198 182 HG12 ILE 24 1HG1 ILE 24 -13.746 5.340 -3.984 183 HG13 ILE 24 2HG1 ILE 24 -12.426 5.338 -2.818 184 HG21 ILE 24 1HG2 ILE 24 -14.536 6.344 0.081 185 HG22 ILE 24 2HG2 ILE 24 -12.918 5.836 -0.398 186 HG23 ILE 24 3HG2 ILE 24 -14.235 4.661 -0.355 187 HD11 ILE 24 1HD1 ILE 24 -13.385 3.364 -1.744 188 HD12 ILE 24 2HD1 ILE 24 -13.063 3.083 -3.457 189 HD13 ILE 24 3HD1 ILE 24 -14.712 3.380 -2.908 190 HA PRO 25 HA PRO 25 -18.862 7.833 -0.107 191 HB2 PRO 25 1HB PRO 25 -18.333 6.241 2.311 192 HB3 PRO 25 2HB PRO 25 -19.865 6.612 1.516 193 HG2 PRO 25 1HG PRO 25 -18.774 4.171 1.417 194 HG3 PRO 25 2HG PRO 25 -19.700 4.852 0.068 195 HD2 PRO 25 1HD PRO 25 -16.741 4.551 0.380 196 HD3 PRO 25 2HD PRO 25 -17.752 4.388 -1.077 197 H ALA 26 H ALA 26 -18.599 9.619 1.050 198 HA ALA 26 HA ALA 26 -16.057 10.647 1.584 199 HB1 ALA 26 1HB ALA 26 -18.118 11.953 1.135 200 HB2 ALA 26 2HB ALA 26 -17.203 12.528 2.526 201 HB3 ALA 26 3HB ALA 26 -18.665 11.571 2.768 202 H ASP 27 H ASP 27 -18.307 8.924 3.633 203 HA ASP 27 HA ASP 27 -17.219 9.409 6.146 204 HB2 ASP 27 1HB ASP 27 -19.277 8.170 5.859 205 HB3 ASP 27 2HB ASP 27 -18.415 6.852 5.070 206 H TYR 28 H TYR 28 -16.381 6.818 3.849 207 HA TYR 28 HA TYR 28 -14.315 5.678 5.301 208 HB2 TYR 28 1HB TYR 28 -14.963 5.781 2.380 209 HB3 TYR 28 2HB TYR 28 -13.483 4.996 2.930 210 HD1 TYR 28 HD1 TYR 28 -17.172 4.948 3.209 211 HD2 TYR 28 HD2 TYR 28 -13.554 2.808 3.861 212 HE1 TYR 28 HE1 TYR 28 -18.467 2.909 3.658 213 HE2 TYR 28 HE2 TYR 28 -14.840 0.766 4.320 214 HH TYR 28 HH TYR 28 -17.021 0.062 4.956 215 H VAL 29 H VAL 29 -14.315 8.421 3.110 216 HA VAL 29 HA VAL 29 -11.577 8.782 2.765 217 HB VAL 29 HB VAL 29 -13.730 10.886 2.896 218 HG11 VAL 29 1HG1 VAL 29 -12.163 12.196 1.478 219 HG12 VAL 29 2HG1 VAL 29 -10.934 10.963 1.772 220 HG13 VAL 29 3HG1 VAL 29 -11.565 11.919 3.113 221 HG21 VAL 29 1HG2 VAL 29 -13.714 10.668 0.441 222 HG22 VAL 29 2HG2 VAL 29 -14.215 9.185 1.252 223 HG23 VAL 29 3HG2 VAL 29 -12.585 9.320 0.593 224 H GLU 30 H GLU 30 -13.712 9.966 5.356 225 HA GLU 30 HA GLU 30 -11.745 11.490 6.717 226 HB2 GLU 30 1HB GLU 30 -14.007 10.112 8.137 227 HB3 GLU 30 2HB GLU 30 -13.228 11.648 8.503 228 HG2 GLU 30 1HG GLU 30 -14.137 12.449 6.276 229 HG3 GLU 30 2HG GLU 30 -15.185 11.036 6.339 230 H LYS 31 H LYS 31 -12.550 8.089 6.773 231 HA LYS 31 HA LYS 31 -11.023 7.391 9.051 232 HB2 LYS 31 1HB LYS 31 -11.698 5.715 6.627 233 HB3 LYS 31 2HB LYS 31 -11.039 5.102 8.147 234 HG2 LYS 31 1HG LYS 31 -13.063 5.903 9.309 235 HG3 LYS 31 2HG LYS 31 -13.724 6.407 7.751 236 HD2 LYS 31 1HD LYS 31 -13.515 4.063 6.954 237 HD3 LYS 31 2HD LYS 31 -12.979 3.600 8.580 238 HE2 LYS 31 1HE LYS 31 -15.618 4.951 8.019 239 HE3 LYS 31 2HE LYS 31 -15.422 3.200 8.115 240 HZ1 LYS 31 1HZ LYS 31 -14.601 3.470 10.381 241 HZ2 LYS 31 2HZ LYS 31 -16.162 4.100 10.216 242 HZ3 LYS 31 3HZ LYS 31 -14.835 5.142 10.282 243 H PHE 32 H PHE 32 -10.287 7.176 5.583 244 HA PHE 32 HA PHE 32 -7.682 6.246 5.776 245 HB2 PHE 32 1HB PHE 32 -8.774 8.071 3.635 246 HB3 PHE 32 2HB PHE 32 -7.398 6.984 3.487 247 HD1 PHE 32 HD1 PHE 32 -10.158 7.221 1.928 248 HD2 PHE 32 HD2 PHE 32 -8.593 4.604 4.893 249 HE1 PHE 32 HE1 PHE 32 -11.651 5.436 1.137 250 HE2 PHE 32 HE2 PHE 32 -10.083 2.818 4.107 251 HZ PHE 32 HZ PHE 32 -11.613 3.226 2.222 252 H LYS 33 H LYS 33 -8.911 9.532 5.826 253 HA LYS 33 HA LYS 33 -6.460 10.899 5.663 254 HB2 LYS 33 1HB LYS 33 -8.930 11.752 5.505 255 HB3 LYS 33 2HB LYS 33 -8.778 11.946 7.249 256 HG2 LYS 33 1HG LYS 33 -6.992 13.492 7.016 257 HG3 LYS 33 2HG LYS 33 -6.852 13.156 5.284 258 HD2 LYS 33 1HD LYS 33 -7.988 15.273 5.631 259 HD3 LYS 33 2HD LYS 33 -9.107 14.095 4.945 260 HE2 LYS 33 1HE LYS 33 -10.036 13.686 7.174 261 HE3 LYS 33 2HE LYS 33 -8.916 14.865 7.856 262 HZ1 LYS 33 1HZ LYS 33 -11.071 15.857 7.515 263 HZ2 LYS 33 2HZ LYS 33 -11.060 15.431 5.878 264 HZ3 LYS 33 3HZ LYS 33 -9.951 16.569 6.462 265 H LYS 34 H LYS 34 -7.917 9.132 8.249 266 HA LYS 34 HA LYS 34 -5.957 10.246 10.131 267 HB2 LYS 34 1HB LYS 34 -8.579 8.858 10.639 268 HB3 LYS 34 2HB LYS 34 -7.415 9.216 11.907 269 HG2 LYS 34 1HG LYS 34 -7.608 11.636 11.207 270 HG3 LYS 34 2HG LYS 34 -8.979 11.143 10.215 271 HD2 LYS 34 1HD LYS 34 -8.725 10.813 13.206 272 HD3 LYS 34 2HD LYS 34 -9.733 11.993 12.370 273 HE2 LYS 34 1HE LYS 34 -10.025 8.993 12.213 274 HE3 LYS 34 2HE LYS 34 -11.038 10.078 13.164 275 HZ1 LYS 34 1HZ LYS 34 -10.778 10.141 10.205 276 HZ2 LYS 34 2HZ LYS 34 -11.792 11.121 11.139 277 HZ3 LYS 34 3HZ LYS 34 -12.068 9.456 11.061 278 H TRP 35 H TRP 35 -5.685 8.099 8.043 279 HA TRP 35 HA TRP 35 -4.650 6.111 7.742 280 HB2 TRP 35 1HB TRP 35 -3.655 6.738 10.520 281 HB3 TRP 35 2HB TRP 35 -3.047 5.392 9.546 282 HD1 TRP 35 HD1 TRP 35 -2.830 9.161 9.934 283 HE1 TRP 35 HE1 TRP 35 -0.988 10.070 8.382 284 HE3 TRP 35 HE3 TRP 35 -1.870 4.916 7.248 285 HZ2 TRP 35 HZ2 TRP 35 0.650 9.110 6.300 286 HZ3 TRP 35 HZ3 TRP 35 -0.153 4.995 5.496 287 HH2 TRP 35 HH2 TRP 35 1.089 7.046 5.028 288 H GLU 36 H GLU 36 -7.266 5.771 8.330 289 HA GLU 36 HA GLU 36 -7.253 3.339 9.976 290 HB2 GLU 36 1HB GLU 36 -9.474 5.338 9.601 291 HB3 GLU 36 2HB GLU 36 -9.674 3.780 10.386 292 HG2 GLU 36 1HG GLU 36 -8.035 4.449 12.078 293 HG3 GLU 36 2HG GLU 36 -7.893 6.018 11.292 294 H PHE 37 H PHE 37 -7.266 1.666 8.670 295 HA PHE 37 HA PHE 37 -8.853 1.830 6.190 296 HB2 PHE 37 1HB PHE 37 -6.420 0.098 6.715 297 HB3 PHE 37 2HB PHE 37 -7.263 0.280 5.178 298 HD1 PHE 37 HD1 PHE 37 -6.866 2.185 3.768 299 HD2 PHE 37 HD2 PHE 37 -5.080 1.936 7.626 300 HE1 PHE 37 HE1 PHE 37 -5.399 4.076 3.211 301 HE2 PHE 37 HE2 PHE 37 -3.602 3.820 7.067 302 HZ PHE 37 HZ PHE 37 -3.763 4.896 4.857 303 HA PRO 38 HA PRO 38 -11.137 -1.449 8.437 304 HB2 PRO 38 1HB PRO 38 -13.021 -0.880 6.232 305 HB3 PRO 38 2HB PRO 38 -13.308 -0.957 7.980 306 HG2 PRO 38 1HG PRO 38 -13.309 1.386 6.720 307 HG3 PRO 38 2HG PRO 38 -12.576 1.215 8.325 308 HD2 PRO 38 1HD PRO 38 -11.222 1.283 5.642 309 HD3 PRO 38 2HD PRO 38 -10.777 2.126 7.156 310 H GLU 39 H GLU 39 -11.364 -3.549 7.949 311 HA GLU 39 HA GLU 39 -10.145 -4.476 5.499 312 HB2 GLU 39 1HB GLU 39 -9.678 -5.450 7.766 313 HB3 GLU 39 2HB GLU 39 -11.306 -6.109 7.752 314 HG2 GLU 39 1HG GLU 39 -10.761 -7.412 5.765 315 HG3 GLU 39 2HG GLU 39 -9.127 -6.749 5.779 316 H ASP 40 H ASP 40 -11.763 -3.687 4.078 317 HA ASP 40 HA ASP 40 -13.938 -5.555 3.659 318 HB2 ASP 40 1HB ASP 40 -15.732 -4.105 3.871 319 HB3 ASP 40 2HB ASP 40 -14.693 -3.527 5.166 320 H ASP 41 H ASP 41 -14.982 -5.205 1.503 321 HA ASP 41 HA ASP 41 -13.005 -5.194 -0.433 322 HB2 ASP 41 1HB ASP 41 -14.788 -5.193 -2.115 323 HB3 ASP 41 2HB ASP 41 -15.150 -6.296 -0.795 324 H THR 42 H THR 42 -15.081 -2.483 0.531 325 HA THR 42 HA THR 42 -14.590 -0.761 -1.611 326 HB THR 42 HB THR 42 -14.856 0.244 1.201 327 HG1 THR 42 HG1 THR 42 -16.440 -1.230 1.255 328 HG21 THR 42 1HG2 THR 42 -14.672 1.917 -0.541 329 HG22 THR 42 2HG2 THR 42 -16.319 1.906 0.095 330 HG23 THR 42 3HG2 THR 42 -15.966 1.141 -1.454 331 H THR 43 H THR 43 -13.004 -0.800 1.576 332 HA THR 43 HA THR 43 -11.017 1.078 1.020 333 HB THR 43 HB THR 43 -10.925 -1.232 2.965 334 HG1 THR 43 HG1 THR 43 -12.553 -0.085 3.760 335 HG21 THR 43 1HG2 THR 43 -9.343 0.235 4.215 336 HG22 THR 43 2HG2 THR 43 -9.341 1.339 2.838 337 HG23 THR 43 3HG2 THR 43 -8.714 -0.296 2.654 338 H MET 44 H MET 44 -11.167 -2.375 0.439 339 HA MET 44 HA MET 44 -8.427 -2.865 0.105 340 HB2 MET 44 1HB MET 44 -10.799 -4.296 -1.085 341 HB3 MET 44 2HB MET 44 -9.148 -4.901 -1.131 342 HG2 MET 44 1HG MET 44 -9.100 -4.997 1.292 343 HG3 MET 44 2HG MET 44 -10.729 -4.331 1.365 344 HE1 MET 44 1HE MET 44 -11.414 -6.272 2.935 345 HE2 MET 44 2HE MET 44 -9.821 -7.027 2.838 346 HE3 MET 44 3HE MET 44 -11.272 -7.988 2.543 347 H CYS 45 H CYS 45 -10.943 -2.279 -2.361 348 HA CYS 45 HA CYS 45 -8.950 -2.347 -4.428 349 HB2 CYS 45 1HB CYS 45 -11.514 -2.930 -4.624 350 HB3 CYS 45 2HB CYS 45 -11.658 -1.206 -4.976 351 H TYR 46 H TYR 46 -10.346 0.106 -2.430 352 HA TYR 46 HA TYR 46 -9.614 2.381 -3.860 353 HB2 TYR 46 1HB TYR 46 -10.878 2.761 -1.931 354 HB3 TYR 46 2HB TYR 46 -9.827 1.765 -0.925 355 HD1 TYR 46 HD1 TYR 46 -9.877 4.963 -2.851 356 HD2 TYR 46 HD2 TYR 46 -8.190 2.782 0.393 357 HE1 TYR 46 HE1 TYR 46 -8.700 6.984 -2.102 358 HE2 TYR 46 HE2 TYR 46 -7.003 4.800 1.142 359 HH TYR 46 HH TYR 46 -6.291 6.921 0.408 360 H ILE 47 H ILE 47 -7.765 0.415 -1.566 361 HA ILE 47 HA ILE 47 -5.335 1.774 -1.765 362 HB ILE 47 HB ILE 47 -5.867 -1.129 -1.161 363 HG12 ILE 47 1HG1 ILE 47 -6.855 0.433 0.450 364 HG13 ILE 47 2HG1 ILE 47 -5.513 -0.439 1.186 365 HG21 ILE 47 1HG2 ILE 47 -3.586 -1.139 -0.170 366 HG22 ILE 47 2HG2 ILE 47 -3.315 0.450 -0.884 367 HG23 ILE 47 3HG2 ILE 47 -3.596 -0.946 -1.923 368 HD11 ILE 47 1HD1 ILE 47 -5.541 2.405 0.218 369 HD12 ILE 47 2HD1 ILE 47 -4.082 1.555 0.731 370 HD13 ILE 47 3HD1 ILE 47 -5.393 1.825 1.877 371 H LYS 48 H LYS 48 -6.749 -0.766 -3.751 372 HA LYS 48 HA LYS 48 -4.491 -1.433 -5.261 373 HB2 LYS 48 1HB LYS 48 -6.654 -2.687 -5.225 374 HB3 LYS 48 2HB LYS 48 -7.364 -1.422 -6.205 375 HG2 LYS 48 1HG LYS 48 -4.927 -2.879 -7.149 376 HG3 LYS 48 2HG LYS 48 -6.525 -3.595 -7.342 377 HD2 LYS 48 1HD LYS 48 -5.735 -0.872 -8.376 378 HD3 LYS 48 2HD LYS 48 -5.730 -2.347 -9.342 379 HE2 LYS 48 1HE LYS 48 -8.166 -1.247 -7.944 380 HE3 LYS 48 2HE LYS 48 -7.762 -0.918 -9.624 381 HZ1 LYS 48 1HZ LYS 48 -8.244 -3.625 -8.496 382 HZ2 LYS 48 2HZ LYS 48 -7.941 -3.256 -10.118 383 HZ3 LYS 48 3HZ LYS 48 -9.367 -2.727 -9.383 384 H CYS 49 H CYS 49 -7.125 0.829 -6.027 385 HA CYS 49 HA CYS 49 -6.082 1.842 -8.387 386 HB2 CYS 49 1HB CYS 49 -8.322 2.334 -7.875 387 HB3 CYS 49 2HB CYS 49 -7.912 3.061 -6.323 388 H VAL 50 H VAL 50 -5.627 3.047 -5.064 389 HA VAL 50 HA VAL 50 -4.138 5.312 -5.725 390 HB VAL 50 HB VAL 50 -4.252 3.692 -3.189 391 HG11 VAL 50 1HG1 VAL 50 -3.234 5.605 -2.066 392 HG12 VAL 50 2HG1 VAL 50 -3.003 6.399 -3.623 393 HG13 VAL 50 3HG1 VAL 50 -2.138 4.905 -3.257 394 HG21 VAL 50 1HG2 VAL 50 -5.632 5.577 -2.415 395 HG22 VAL 50 2HG2 VAL 50 -6.337 4.725 -3.788 396 HG23 VAL 50 3HG2 VAL 50 -5.532 6.275 -4.031 397 H PHE 51 H PHE 51 -3.105 2.084 -4.703 398 HA PHE 51 HA PHE 51 -0.346 2.581 -4.733 399 HB2 PHE 51 1HB PHE 51 -2.096 0.191 -4.612 400 HB3 PHE 51 2HB PHE 51 -0.429 -0.076 -5.110 401 HD1 PHE 51 HD1 PHE 51 -1.369 2.571 -2.739 402 HD2 PHE 51 HD2 PHE 51 0.110 -1.396 -3.189 403 HE1 PHE 51 HE1 PHE 51 -0.700 2.554 -0.372 404 HE2 PHE 51 HE2 PHE 51 0.777 -1.418 -0.825 405 HZ PHE 51 HZ PHE 51 0.375 0.560 0.587 406 H ASN 52 H ASN 52 -2.618 1.832 -7.212 407 HA ASN 52 HA ASN 52 -0.684 0.979 -9.164 408 HB2 ASN 52 1HB ASN 52 -3.040 0.214 -9.220 409 HB3 ASN 52 2HB ASN 52 -3.561 1.874 -9.524 410 HD21 ASN 52 1HD2 ASN 52 -0.710 0.335 -10.916 411 HD22 ASN 52 2HD2 ASN 52 -1.289 0.343 -12.545 412 H LYS 53 H LYS 53 -2.428 3.926 -8.376 413 HA LYS 53 HA LYS 53 -1.483 5.412 -10.618 414 HB2 LYS 53 1HB LYS 53 -2.917 6.090 -8.073 415 HB3 LYS 53 2HB LYS 53 -2.294 7.378 -9.096 416 HG2 LYS 53 1HG LYS 53 -3.673 6.587 -10.945 417 HG3 LYS 53 2HG LYS 53 -4.239 5.234 -9.965 418 HD2 LYS 53 1HD LYS 53 -5.267 6.808 -8.393 419 HD3 LYS 53 2HD LYS 53 -4.696 8.160 -9.373 420 HE2 LYS 53 1HE LYS 53 -6.592 6.003 -10.300 421 HE3 LYS 53 2HE LYS 53 -7.060 7.628 -9.802 422 HZ1 LYS 53 1HZ LYS 53 -5.364 6.912 -12.131 423 HZ2 LYS 53 2HZ LYS 53 -5.665 8.491 -11.620 424 HZ3 LYS 53 3HZ LYS 53 -6.938 7.530 -12.176 425 H MET 54 H MET 54 -0.228 4.637 -7.522 426 HA MET 54 HA MET 54 1.728 6.780 -7.558 427 HB2 MET 54 1HB MET 54 1.118 4.562 -5.622 428 HB3 MET 54 2HB MET 54 2.510 5.625 -5.431 429 HG2 MET 54 1HG MET 54 1.153 7.503 -5.121 430 HG3 MET 54 2HG MET 54 -0.281 6.673 -5.716 431 HE1 MET 54 1HE MET 54 2.466 5.610 -2.912 432 HE2 MET 54 2HE MET 54 1.600 6.341 -1.557 433 HE3 MET 54 3HE MET 54 2.144 7.341 -2.899 434 H GLN 55 H GLN 55 1.471 4.014 -9.193 435 HA GLN 55 HA GLN 55 2.851 2.592 -10.246 436 HB2 GLN 55 1HB GLN 55 4.546 4.983 -9.800 437 HB3 GLN 55 2HB GLN 55 5.335 3.522 -10.395 438 HG2 GLN 55 1HG GLN 55 3.821 3.480 -12.297 439 HG3 GLN 55 2HG GLN 55 2.992 4.902 -11.675 440 HE21 GLN 55 1HE2 GLN 55 3.931 6.913 -11.904 441 HE22 GLN 55 2HE2 GLN 55 5.327 7.194 -12.888 442 H LEU 56 H LEU 56 2.359 1.804 -7.728 443 HA LEU 56 HA LEU 56 4.954 0.899 -6.720 444 HB2 LEU 56 1HB LEU 56 2.743 2.272 -5.376 445 HB3 LEU 56 2HB LEU 56 3.323 0.851 -4.496 446 HG LEU 56 HG LEU 56 4.999 3.195 -5.396 447 HD11 LEU 56 1HD1 LEU 56 3.464 3.824 -3.616 448 HD12 LEU 56 2HD1 LEU 56 5.116 3.750 -3.012 449 HD13 LEU 56 3HD1 LEU 56 3.989 2.444 -2.655 450 HD21 LEU 56 1HD2 LEU 56 6.690 2.188 -3.879 451 HD22 LEU 56 2HD2 LEU 56 6.352 1.219 -5.314 452 HD23 LEU 56 3HD2 LEU 56 5.661 0.761 -3.757 453 H PHE 57 H PHE 57 1.836 0.063 -7.769 454 HA PHE 57 HA PHE 57 2.325 -2.752 -7.114 455 HB2 PHE 57 1HB PHE 57 0.746 -2.069 -5.414 456 HB3 PHE 57 2HB PHE 57 -0.250 -1.238 -6.596 457 HD1 PHE 57 HD1 PHE 57 0.805 -4.560 -5.381 458 HD2 PHE 57 HD2 PHE 57 -1.900 -2.381 -7.846 459 HE1 PHE 57 HE1 PHE 57 -0.583 -6.575 -5.638 460 HE2 PHE 57 HE2 PHE 57 -3.286 -4.395 -8.108 461 HZ PHE 57 HZ PHE 57 -2.630 -6.493 -7.001 462 H ASP 58 H ASP 58 1.781 -4.140 -8.707 463 HA ASP 58 HA ASP 58 0.350 -3.045 -11.040 464 HB2 ASP 58 1HB ASP 58 2.664 -3.507 -11.660 465 HB3 ASP 58 2HB ASP 58 2.553 -5.130 -10.980 466 H ASP 59 H ASP 59 -1.306 -4.275 -11.864 467 HA ASP 59 HA ASP 59 -2.570 -6.010 -9.988 468 HB2 ASP 59 1HB ASP 59 -4.371 -6.159 -11.607 469 HB3 ASP 59 2HB ASP 59 -3.834 -4.498 -11.467 470 H THR 60 H THR 60 -0.254 -6.591 -12.371 471 HA THR 60 HA THR 60 -1.061 -9.384 -12.656 472 HB THR 60 HB THR 60 0.959 -7.720 -14.149 473 HG1 THR 60 HG1 THR 60 -0.863 -7.322 -15.160 474 HG21 THR 60 1HG2 THR 60 1.830 -9.980 -13.904 475 HG22 THR 60 2HG2 THR 60 1.328 -9.684 -15.569 476 HG23 THR 60 3HG2 THR 60 0.310 -10.647 -14.499 477 H GLU 61 H GLU 61 2.057 -7.646 -12.209 478 HA GLU 61 HA GLU 61 3.289 -9.990 -11.108 479 HB2 GLU 61 1HB GLU 61 4.441 -7.222 -10.935 480 HB3 GLU 61 2HB GLU 61 5.274 -8.767 -11.042 481 HG2 GLU 61 1HG GLU 61 4.301 -9.009 -13.338 482 HG3 GLU 61 2HG GLU 61 3.795 -7.329 -13.209 483 H GLY 62 H GLY 62 1.361 -7.564 -9.739 484 HA2 GLY 62 1HA GLY 62 0.633 -7.517 -7.514 485 HA3 GLY 62 2HA GLY 62 1.971 -8.586 -7.083 486 HA PRO 63 HA PRO 63 3.137 -4.513 -5.257 487 HB2 PRO 63 1HB PRO 63 4.805 -6.368 -3.675 488 HB3 PRO 63 2HB PRO 63 3.722 -5.081 -3.128 489 HG2 PRO 63 1HG PRO 63 3.117 -7.705 -2.863 490 HG3 PRO 63 2HG PRO 63 1.883 -6.454 -3.117 491 HD2 PRO 63 1HD PRO 63 2.984 -8.458 -5.028 492 HD3 PRO 63 2HD PRO 63 1.352 -7.752 -4.942 493 H LEU 64 H LEU 64 4.664 -3.425 -6.316 494 HA LEU 64 HA LEU 64 6.825 -4.839 -7.631 495 HB2 LEU 64 1HB LEU 64 6.296 -1.865 -7.562 496 HB3 LEU 64 2HB LEU 64 7.359 -2.723 -8.658 497 HG LEU 64 HG LEU 64 4.367 -3.083 -8.582 498 HD11 LEU 64 1HD1 LEU 64 4.369 -1.862 -10.705 499 HD12 LEU 64 2HD1 LEU 64 6.094 -1.550 -10.522 500 HD13 LEU 64 3HD1 LEU 64 4.947 -0.857 -9.377 501 HD21 LEU 64 1HD2 LEU 64 4.705 -4.306 -10.656 502 HD22 LEU 64 2HD2 LEU 64 5.593 -5.053 -9.323 503 HD23 LEU 64 3HD2 LEU 64 6.450 -4.075 -10.515 504 H VAL 65 H VAL 65 8.083 -5.577 -6.024 505 HA VAL 65 HA VAL 65 8.742 -4.362 -3.678 506 HB VAL 65 HB VAL 65 9.370 -6.513 -3.514 507 HG11 VAL 65 1HG1 VAL 65 10.335 -6.354 -6.360 508 HG12 VAL 65 2HG1 VAL 65 8.962 -7.262 -5.721 509 HG13 VAL 65 3HG1 VAL 65 10.605 -7.761 -5.336 510 HG21 VAL 65 1HG2 VAL 65 11.787 -6.846 -3.555 511 HG22 VAL 65 2HG2 VAL 65 11.328 -5.316 -2.810 512 HG23 VAL 65 3HG2 VAL 65 11.971 -5.339 -4.452 513 H ASP 66 H ASP 66 10.335 -3.957 -6.797 514 HA ASP 66 HA ASP 66 12.690 -2.728 -5.881 515 HB2 ASP 66 1HB ASP 66 12.394 -3.635 -8.145 516 HB3 ASP 66 2HB ASP 66 11.275 -2.329 -8.516 517 H ASN 67 H ASN 67 9.748 -1.215 -7.224 518 HA ASN 67 HA ASN 67 10.517 1.434 -6.646 519 HB2 ASN 67 1HB ASN 67 7.829 0.167 -7.143 520 HB3 ASN 67 2HB ASN 67 8.018 1.888 -6.838 521 HD21 ASN 67 1HD2 ASN 67 7.145 2.279 -8.899 522 HD22 ASN 67 2HD2 ASN 67 8.108 2.098 -10.329 523 H LEU 68 H LEU 68 8.866 -1.028 -4.826 524 HA LEU 68 HA LEU 68 7.807 0.516 -2.759 525 HB2 LEU 68 1HB LEU 68 8.577 -2.351 -3.044 526 HB3 LEU 68 2HB LEU 68 8.143 -1.737 -1.459 527 HG LEU 68 HG LEU 68 6.342 -1.390 -3.843 528 HD11 LEU 68 1HD1 LEU 68 6.740 -3.778 -3.565 529 HD12 LEU 68 2HD1 LEU 68 5.105 -3.352 -3.063 530 HD13 LEU 68 3HD1 LEU 68 6.352 -3.656 -1.850 531 HD21 LEU 68 1HD2 LEU 68 4.638 -1.124 -2.126 532 HD22 LEU 68 2HD2 LEU 68 5.940 0.045 -1.915 533 HD23 LEU 68 3HD2 LEU 68 5.853 -1.374 -0.874 534 H VAL 69 H VAL 69 10.965 -1.068 -3.024 535 HA VAL 69 HA VAL 69 11.907 -0.243 -0.473 536 HB VAL 69 HB VAL 69 13.448 -1.031 -2.938 537 HG11 VAL 69 1HG1 VAL 69 14.292 -0.775 -0.060 538 HG12 VAL 69 2HG1 VAL 69 14.874 0.181 -1.424 539 HG13 VAL 69 3HG1 VAL 69 15.258 -1.537 -1.323 540 HG21 VAL 69 1HG2 VAL 69 12.653 -2.658 -0.534 541 HG22 VAL 69 2HG2 VAL 69 13.575 -3.220 -1.929 542 HG23 VAL 69 3HG2 VAL 69 11.889 -2.745 -2.123 543 H HIS 70 H HIS 70 12.199 1.102 -3.737 544 HA HIS 70 HA HIS 70 13.975 3.191 -3.083 545 HB2 HIS 70 1HB HIS 70 12.032 2.760 -5.328 546 HB3 HIS 70 2HB HIS 70 12.861 4.304 -5.160 547 HD1 HIS 70 HD1 HIS 70 15.164 4.456 -6.104 548 HD2 HIS 70 HD2 HIS 70 13.889 0.521 -5.705 549 HE1 HIS 70 HE1 HIS 70 16.946 3.057 -7.182 550 HE2 HIS 70 HE2 HIS 70 16.138 0.685 -6.970 551 H GLN 71 H GLN 71 10.588 2.821 -2.597 552 HA GLN 71 HA GLN 71 10.156 5.645 -2.048 553 HB2 GLN 71 1HB GLN 71 8.452 4.247 -3.211 554 HB3 GLN 71 2HB GLN 71 8.270 3.305 -1.739 555 HG2 GLN 71 1HG GLN 71 6.485 4.930 -1.944 556 HG3 GLN 71 2HG GLN 71 7.497 5.263 -0.542 557 HE21 GLN 71 1HE2 GLN 71 8.717 7.102 -0.478 558 HE22 GLN 71 2HE2 GLN 71 8.518 8.397 -1.602 559 H LEU 72 H LEU 72 9.656 2.612 -0.256 560 HA LEU 72 HA LEU 72 9.094 3.852 2.189 561 HB2 LEU 72 1HB LEU 72 9.964 1.041 1.559 562 HB3 LEU 72 2HB LEU 72 9.496 1.563 3.163 563 HG LEU 72 HG LEU 72 7.687 1.699 0.750 564 HD11 LEU 72 1HD1 LEU 72 7.803 -0.344 2.972 565 HD12 LEU 72 2HD1 LEU 72 8.236 -0.621 1.285 566 HD13 LEU 72 3HD1 LEU 72 6.564 -0.257 1.717 567 HD21 LEU 72 1HD2 LEU 72 7.185 2.067 3.703 568 HD22 LEU 72 2HD2 LEU 72 5.920 1.926 2.481 569 HD23 LEU 72 3HD2 LEU 72 7.040 3.289 2.436 570 H ALA 73 H ALA 73 12.114 2.414 0.977 571 HA ALA 73 HA ALA 73 13.482 2.690 3.458 572 HB1 ALA 73 1HB ALA 73 15.406 1.892 2.288 573 HB2 ALA 73 2HB ALA 73 14.651 2.238 0.731 574 HB3 ALA 73 3HB ALA 73 13.992 0.974 1.770 575 H HIS 74 H HIS 74 12.391 5.217 2.277 576 HA HIS 74 HA HIS 74 14.672 6.776 1.508 577 HB2 HIS 74 1HB HIS 74 12.344 7.353 0.805 578 HB3 HIS 74 2HB HIS 74 11.970 7.748 2.481 579 HD1 HIS 74 HD1 HIS 74 13.969 8.970 -0.461 580 HD2 HIS 74 HD2 HIS 74 12.839 10.235 3.332 581 HE1 HIS 74 HE1 HIS 74 14.614 11.398 -0.337 582 HE2 HIS 74 HE2 HIS 74 14.087 12.084 2.026 583 H GLY 75 H GLY 75 16.223 6.601 3.073 584 HA2 GLY 75 1HA GLY 75 17.228 7.731 4.920 585 HA3 GLY 75 2HA GLY 75 15.628 7.947 5.617 586 H ARG 76 H ARG 76 16.337 4.851 4.309 587 HA ARG 76 HA ARG 76 17.283 3.787 6.848 588 HB2 ARG 76 1HB ARG 76 14.579 3.326 5.759 589 HB3 ARG 76 2HB ARG 76 15.424 1.890 6.322 590 HG2 ARG 76 1HG ARG 76 15.824 3.207 8.475 591 HG3 ARG 76 2HG ARG 76 14.579 4.307 7.879 592 HD2 ARG 76 1HD ARG 76 13.099 2.294 7.608 593 HD3 ARG 76 2HD ARG 76 14.317 1.371 8.478 594 HE ARG 76 HE ARG 76 13.527 3.699 9.917 595 HH11 ARG 76 1HH1 ARG 76 12.574 0.410 9.163 596 HH12 ARG 76 2HH1 ARG 76 11.595 0.240 10.585 597 HH21 ARG 76 1HH2 ARG 76 12.241 3.477 11.774 598 HH22 ARG 76 2HH2 ARG 76 11.405 1.986 12.071 599 H ASP 77 H ASP 77 17.818 1.429 6.643 600 HA ASP 77 HA ASP 77 19.398 0.909 4.371 601 HB2 ASP 77 1HB ASP 77 18.395 -0.909 6.562 602 HB3 ASP 77 2HB ASP 77 19.491 -1.439 5.294 603 H ALA 78 H ALA 78 18.526 0.754 2.455 604 HA ALA 78 HA ALA 78 16.008 -0.164 1.739 605 HB1 ALA 78 1HB ALA 78 17.448 1.127 0.265 606 HB2 ALA 78 2HB ALA 78 16.923 -0.362 -0.517 607 HB3 ALA 78 3HB ALA 78 18.556 -0.239 0.136 608 H GLU 79 H GLU 79 18.979 -1.892 2.310 609 HA GLU 79 HA GLU 79 18.373 -4.374 1.198 610 HB2 GLU 79 1HB GLU 79 20.025 -3.683 3.626 611 HB3 GLU 79 2HB GLU 79 19.965 -5.288 2.911 612 HG2 GLU 79 1HG GLU 79 20.835 -4.373 0.814 613 HG3 GLU 79 2HG GLU 79 20.930 -2.780 1.558 614 H GLU 80 H GLU 80 17.771 -3.178 4.491 615 HA GLU 80 HA GLU 80 16.495 -5.555 5.390 616 HB2 GLU 80 1HB GLU 80 16.436 -2.738 6.466 617 HB3 GLU 80 2HB GLU 80 15.789 -4.141 7.306 618 HG2 GLU 80 1HG GLU 80 18.053 -5.129 7.279 619 HG3 GLU 80 2HG GLU 80 18.651 -3.645 6.557 620 H VAL 81 H VAL 81 15.349 -2.430 4.213 621 HA VAL 81 HA VAL 81 12.621 -2.742 4.584 622 HB VAL 81 HB VAL 81 14.091 -1.260 2.415 623 HG11 VAL 81 1HG1 VAL 81 11.197 -1.080 3.245 624 HG12 VAL 81 2HG1 VAL 81 11.809 -1.624 1.683 625 HG13 VAL 81 3HG1 VAL 81 12.013 0.060 2.173 626 HG21 VAL 81 1HG2 VAL 81 14.683 -0.467 4.558 627 HG22 VAL 81 2HG2 VAL 81 13.005 -0.487 5.101 628 HG23 VAL 81 3HG2 VAL 81 13.527 0.679 3.884 629 H ARG 82 H ARG 82 14.561 -3.602 1.706 630 HA ARG 82 HA ARG 82 12.545 -4.650 0.114 631 HB2 ARG 82 1HB ARG 82 14.958 -4.276 -0.511 632 HB3 ARG 82 2HB ARG 82 15.331 -5.778 0.319 633 HG2 ARG 82 1HG ARG 82 13.748 -6.939 -1.187 634 HG3 ARG 82 2HG ARG 82 13.559 -5.433 -2.073 635 HD2 ARG 82 1HD ARG 82 16.006 -5.418 -2.459 636 HD3 ARG 82 2HD ARG 82 16.094 -7.008 -1.704 637 HE ARG 82 HE ARG 82 14.201 -7.136 -3.744 638 HH11 ARG 82 1HH1 ARG 82 17.646 -6.654 -3.387 639 HH12 ARG 82 2HH1 ARG 82 18.029 -7.337 -4.935 640 HH21 ARG 82 1HH2 ARG 82 14.702 -8.040 -5.788 641 HH22 ARG 82 2HH2 ARG 82 16.358 -8.128 -6.297 642 H THR 83 H THR 83 14.450 -6.186 2.645 643 HA THR 83 HA THR 83 13.552 -8.814 2.301 644 HB THR 83 HB THR 83 14.701 -7.301 4.631 645 HG1 THR 83 HG1 THR 83 15.623 -9.049 2.653 646 HG21 THR 83 1HG2 THR 83 14.021 -10.243 4.592 647 HG22 THR 83 2HG2 THR 83 13.251 -9.016 5.597 648 HG23 THR 83 3HG2 THR 83 14.951 -9.416 5.841 649 H GLU 84 H GLU 84 12.487 -6.329 4.633 650 HA GLU 84 HA GLU 84 10.394 -7.790 5.749 651 HB2 GLU 84 1HB GLU 84 10.656 -4.797 5.501 652 HB3 GLU 84 2HB GLU 84 9.577 -5.650 6.597 653 HG2 GLU 84 1HG GLU 84 11.579 -6.717 7.614 654 HG3 GLU 84 2HG GLU 84 12.578 -5.655 6.630 655 H VAL 85 H VAL 85 10.371 -5.555 2.979 656 HA VAL 85 HA VAL 85 7.631 -5.627 2.445 657 HB VAL 85 HB VAL 85 10.012 -5.294 0.630 658 HG11 VAL 85 1HG1 VAL 85 7.095 -5.123 -0.128 659 HG12 VAL 85 2HG1 VAL 85 8.252 -6.329 -0.696 660 HG13 VAL 85 3HG1 VAL 85 8.450 -4.633 -1.148 661 HG21 VAL 85 1HG2 VAL 85 7.872 -3.398 1.584 662 HG22 VAL 85 2HG2 VAL 85 9.218 -2.986 0.518 663 HG23 VAL 85 3HG2 VAL 85 9.531 -3.485 2.182 664 H LEU 86 H LEU 86 10.234 -7.743 1.258 665 HA LEU 86 HA LEU 86 8.689 -9.350 -0.403 666 HB2 LEU 86 1HB LEU 86 11.248 -9.912 1.082 667 HB3 LEU 86 2HB LEU 86 10.528 -11.050 -0.055 668 HG LEU 86 HG LEU 86 11.268 -8.238 -0.820 669 HD11 LEU 86 1HD1 LEU 86 13.263 -9.393 -0.025 670 HD12 LEU 86 2HD1 LEU 86 13.310 -9.175 -1.776 671 HD13 LEU 86 3HD1 LEU 86 12.910 -10.751 -1.094 672 HD21 LEU 86 1HD2 LEU 86 9.678 -9.286 -2.291 673 HD22 LEU 86 2HD2 LEU 86 10.669 -10.740 -2.383 674 HD23 LEU 86 3HD2 LEU 86 11.251 -9.231 -3.086 675 H LYS 87 H LYS 87 9.191 -9.483 3.059 676 HA LYS 87 HA LYS 87 8.101 -12.063 3.519 677 HB2 LYS 87 1HB LYS 87 8.394 -9.614 5.248 678 HB3 LYS 87 2HB LYS 87 7.585 -11.059 5.835 679 HG2 LYS 87 1HG LYS 87 9.575 -12.361 5.574 680 HG3 LYS 87 2HG LYS 87 10.404 -11.008 4.781 681 HD2 LYS 87 1HD LYS 87 11.021 -11.332 7.180 682 HD3 LYS 87 2HD LYS 87 10.383 -9.732 6.809 683 HE2 LYS 87 1HE LYS 87 9.431 -10.507 8.880 684 HE3 LYS 87 2HE LYS 87 8.174 -10.453 7.650 685 HZ1 LYS 87 1HZ LYS 87 8.403 -12.840 7.363 686 HZ2 LYS 87 2HZ LYS 87 8.046 -12.468 8.975 687 HZ3 LYS 87 3HZ LYS 87 9.622 -12.888 8.532 688 H CYS 88 H CYS 88 6.705 -9.116 2.593 689 HA CYS 88 HA CYS 88 4.035 -9.990 3.415 690 HB2 CYS 88 1HB CYS 88 5.221 -7.309 2.786 691 HB3 CYS 88 2HB CYS 88 3.463 -7.551 2.699 692 H VAL 89 H VAL 89 6.096 -9.973 0.786 693 HA VAL 89 HA VAL 89 3.974 -9.815 -1.212 694 HB VAL 89 HB VAL 89 6.910 -10.354 -1.643 695 HG11 VAL 89 1HG1 VAL 89 6.400 -9.645 -3.958 696 HG12 VAL 89 2HG1 VAL 89 4.693 -9.572 -3.515 697 HG13 VAL 89 3HG1 VAL 89 5.551 -11.112 -3.469 698 HG21 VAL 89 1HG2 VAL 89 7.062 -7.996 -2.364 699 HG22 VAL 89 2HG2 VAL 89 6.696 -8.169 -0.649 700 HG23 VAL 89 3HG2 VAL 89 5.415 -7.744 -1.785 701 H ASP 90 H ASP 90 2.817 -11.648 -1.354 702 HA ASP 90 HA ASP 90 4.280 -14.013 -2.135 703 HB2 ASP 90 1HB ASP 90 2.950 -15.527 -0.678 704 HB3 ASP 90 2HB ASP 90 4.009 -14.450 0.234 705 H LYS 91 H LYS 91 2.215 -15.799 -2.395 706 HA LYS 91 HA LYS 91 1.448 -14.969 -4.981 707 HB2 LYS 91 1HB LYS 91 0.266 -17.332 -3.550 708 HB3 LYS 91 2HB LYS 91 0.560 -17.114 -5.270 709 HG2 LYS 91 1HG LYS 91 2.969 -17.179 -4.863 710 HG3 LYS 91 2HG LYS 91 2.655 -17.462 -3.152 711 HD2 LYS 91 1HD LYS 91 3.126 -19.569 -4.216 712 HD3 LYS 91 2HD LYS 91 1.420 -19.523 -3.769 713 HE2 LYS 91 1HE LYS 91 1.666 -20.461 -5.986 714 HE3 LYS 91 2HE LYS 91 0.851 -18.901 -6.083 715 HZ1 LYS 91 1HZ LYS 91 3.717 -19.417 -6.664 716 HZ2 LYS 91 2HZ LYS 91 2.977 -17.900 -6.712 717 HZ3 LYS 91 3HZ LYS 91 2.508 -19.100 -7.804 718 H ASN 92 H ASN 92 -0.516 -14.720 -5.926 719 HA ASN 92 HA ASN 92 -2.500 -13.339 -4.330 720 HB2 ASN 92 1HB ASN 92 -1.802 -12.488 -6.553 721 HB3 ASN 92 2HB ASN 92 -2.424 -13.955 -7.286 722 HD21 ASN 92 1HD2 ASN 92 -3.771 -12.671 -8.582 723 HD22 ASN 92 2HD2 ASN 92 -5.244 -12.007 -7.957 724 H THR 93 H THR 93 -3.188 -15.182 -3.072 725 HA THR 93 HA THR 93 -4.595 -17.303 -4.446 726 HB THR 93 HB THR 93 -5.092 -18.158 -2.198 727 HG1 THR 93 HG1 THR 93 -4.671 -17.009 -0.409 728 HG21 THR 93 1HG2 THR 93 -2.770 -18.534 -1.453 729 HG22 THR 93 2HG2 THR 93 -2.228 -17.293 -2.585 730 HG23 THR 93 3HG2 THR 93 -2.977 -18.772 -3.185 731 H ASP 94 H ASP 94 -5.285 -14.174 -3.517 732 HA ASP 94 HA ASP 94 -8.058 -14.530 -2.830 733 HB2 ASP 94 1HB ASP 94 -6.339 -12.114 -3.355 734 HB3 ASP 94 2HB ASP 94 -8.091 -11.971 -3.169 735 H ASN 95 H ASN 95 -6.237 -14.187 -5.703 736 HA ASN 95 HA ASN 95 -6.763 -14.208 -7.898 737 HB2 ASN 95 1HB ASN 95 -9.412 -15.104 -6.800 738 HB3 ASN 95 2HB ASN 95 -9.098 -14.959 -8.519 739 HD21 ASN 95 1HD2 ASN 95 -9.498 -17.161 -8.754 740 HD22 ASN 95 2HD2 ASN 95 -8.322 -18.352 -8.286 741 H ASN 96 H ASN 96 -7.285 -11.777 -6.171 742 HA ASN 96 HA ASN 96 -8.663 -10.231 -8.215 743 HB2 ASN 96 1HB ASN 96 -10.520 -10.744 -6.816 744 HB3 ASN 96 2HB ASN 96 -9.587 -10.471 -5.347 745 HD21 ASN 96 1HD2 ASN 96 -11.259 -8.972 -8.009 746 HD22 ASN 96 2HD2 ASN 96 -11.362 -7.392 -7.304 747 H ALA 97 H ALA 97 -7.657 -8.333 -8.530 748 HA ALA 97 HA ALA 97 -5.193 -7.890 -7.194 749 HB1 ALA 97 1HB ALA 97 -6.597 -6.043 -9.110 750 HB2 ALA 97 2HB ALA 97 -5.564 -7.390 -9.580 751 HB3 ALA 97 3HB ALA 97 -4.887 -6.030 -8.685 752 H CYS 98 H CYS 98 -8.394 -6.496 -6.809 753 HA CYS 98 HA CYS 98 -7.634 -4.241 -5.288 754 HB2 CYS 98 1HB CYS 98 -10.179 -5.840 -4.972 755 HB3 CYS 98 2HB CYS 98 -9.926 -4.164 -4.497 756 H HIS 99 H HIS 99 -8.298 -7.583 -4.454 757 HA HIS 99 HA HIS 99 -7.964 -7.272 -1.639 758 HB2 HIS 99 1HB HIS 99 -8.213 -9.549 -3.538 759 HB3 HIS 99 2HB HIS 99 -7.491 -9.880 -1.969 760 HD1 HIS 99 HD1 HIS 99 -9.155 -10.776 -0.416 761 HD2 HIS 99 HD2 HIS 99 -10.844 -8.005 -3.022 762 HE1 HIS 99 HE1 HIS 99 -11.585 -10.635 0.224 763 HE2 HIS 99 HE2 HIS 99 -12.564 -8.882 -1.296 764 H TRP 100 H TRP 100 -5.858 -8.307 -4.273 765 HA TRP 100 HA TRP 100 -3.757 -9.265 -2.678 766 HB2 TRP 100 1HB TRP 100 -4.159 -9.687 -5.158 767 HB3 TRP 100 2HB TRP 100 -3.412 -8.117 -5.451 768 HD1 TRP 100 HD1 TRP 100 -1.679 -9.801 -2.645 769 HE1 TRP 100 HE1 TRP 100 0.500 -10.909 -3.452 770 HE3 TRP 100 HE3 TRP 100 -2.440 -9.507 -7.694 771 HZ2 TRP 100 HZ2 TRP 100 1.734 -11.562 -5.902 772 HZ3 TRP 100 HZ3 TRP 100 -0.715 -10.403 -9.198 773 HH2 TRP 100 HH2 TRP 100 1.328 -11.413 -8.327 774 H ALA 101 H ALA 101 -4.281 -6.090 -4.168 775 HA ALA 101 HA ALA 101 -1.843 -4.935 -3.357 776 HB1 ALA 101 1HB ALA 101 -4.478 -3.579 -3.888 777 HB2 ALA 101 2HB ALA 101 -3.270 -3.985 -5.104 778 HB3 ALA 101 3HB ALA 101 -2.895 -2.801 -3.850 779 H PHE 102 H PHE 102 -5.065 -4.958 -1.885 780 HA PHE 102 HA PHE 102 -4.401 -3.399 0.363 781 HB2 PHE 102 1HB PHE 102 -6.705 -3.749 -0.321 782 HB3 PHE 102 2HB PHE 102 -6.572 -5.471 0.018 783 HD1 PHE 102 HD1 PHE 102 -7.145 -6.278 2.140 784 HD2 PHE 102 HD2 PHE 102 -6.342 -2.133 1.617 785 HE1 PHE 102 HE1 PHE 102 -7.888 -5.846 4.442 786 HE2 PHE 102 HE2 PHE 102 -7.082 -1.691 3.919 787 HZ PHE 102 HZ PHE 102 -7.857 -3.547 5.338 788 H ARG 103 H ARG 103 -4.076 -6.743 -0.421 789 HA ARG 103 HA ARG 103 -3.711 -7.822 2.164 790 HB2 ARG 103 1HB ARG 103 -4.344 -9.149 0.211 791 HB3 ARG 103 2HB ARG 103 -2.820 -8.771 -0.566 792 HG2 ARG 103 1HG ARG 103 -1.631 -10.048 1.134 793 HG3 ARG 103 2HG ARG 103 -3.163 -10.431 1.922 794 HD2 ARG 103 1HD ARG 103 -3.923 -11.663 0.012 795 HD3 ARG 103 2HD ARG 103 -2.569 -11.093 -0.957 796 HE ARG 103 HE ARG 103 -1.252 -12.412 0.884 797 HH11 ARG 103 1HH1 ARG 103 -4.275 -13.263 -0.665 798 HH12 ARG 103 2HH1 ARG 103 -3.948 -14.973 -0.643 799 HH21 ARG 103 1HH2 ARG 103 -0.806 -14.656 0.894 800 HH22 ARG 103 2HH2 ARG 103 -1.993 -15.765 0.281 801 H GLY 104 H GLY 104 -1.451 -6.687 -0.321 802 HA2 GLY 104 1HA GLY 104 0.927 -7.303 1.122 803 HA3 GLY 104 2HA GLY 104 0.789 -6.161 -0.221 804 H PHE 105 H PHE 105 -1.007 -4.361 0.806 805 HA PHE 105 HA PHE 105 0.661 -2.684 2.307 806 HB2 PHE 105 1HB PHE 105 -0.950 -1.691 0.877 807 HB3 PHE 105 2HB PHE 105 -2.265 -2.582 1.622 808 HD1 PHE 105 HD1 PHE 105 0.474 -0.486 3.038 809 HD2 PHE 105 HD2 PHE 105 -3.722 -1.060 2.579 810 HE1 PHE 105 HE1 PHE 105 0.044 1.459 4.486 811 HE2 PHE 105 HE2 PHE 105 -4.150 0.873 4.031 812 HZ PHE 105 HZ PHE 105 -2.265 2.137 4.987 813 H LYS 106 H LYS 106 -2.151 -4.615 3.205 814 HA LYS 106 HA LYS 106 -2.416 -3.754 5.852 815 HB2 LYS 106 1HB LYS 106 -4.291 -4.869 5.181 816 HB3 LYS 106 2HB LYS 106 -3.398 -6.072 4.258 817 HG2 LYS 106 1HG LYS 106 -2.770 -7.157 6.391 818 HG3 LYS 106 2HG LYS 106 -3.779 -5.980 7.241 819 HD2 LYS 106 1HD LYS 106 -5.752 -6.771 6.126 820 HD3 LYS 106 2HD LYS 106 -4.798 -7.816 5.076 821 HE2 LYS 106 1HE LYS 106 -4.130 -9.158 6.996 822 HE3 LYS 106 2HE LYS 106 -5.027 -8.092 8.072 823 HZ1 LYS 106 1HZ LYS 106 -6.280 -9.637 5.872 824 HZ2 LYS 106 2HZ LYS 106 -7.070 -8.777 7.102 825 HZ3 LYS 106 3HZ LYS 106 -6.194 -10.179 7.471 826 H CYS 107 H CYS 107 -0.559 -6.424 4.467 827 HA CYS 107 HA CYS 107 0.282 -7.568 6.875 828 HB2 CYS 107 1HB CYS 107 0.526 -8.842 4.903 829 HB3 CYS 107 2HB CYS 107 1.443 -7.579 4.089 830 H PHE 108 H PHE 108 1.744 -5.047 4.862 831 HA PHE 108 HA PHE 108 4.188 -5.002 6.335 832 HB2 PHE 108 1HB PHE 108 3.871 -4.407 3.903 833 HB3 PHE 108 2HB PHE 108 3.165 -2.887 4.451 834 HD1 PHE 108 HD1 PHE 108 6.232 -4.889 4.229 835 HD2 PHE 108 HD2 PHE 108 4.552 -1.139 5.342 836 HE1 PHE 108 HE1 PHE 108 8.485 -3.915 4.351 837 HE2 PHE 108 HE2 PHE 108 6.803 -0.161 5.459 838 HZ PHE 108 HZ PHE 108 8.773 -1.549 4.961 839 H GLN 109 H GLN 109 1.365 -2.848 6.157 840 HA GLN 109 HA GLN 109 2.371 -0.886 7.923 841 HB2 GLN 109 1HB GLN 109 0.150 0.021 7.933 842 HB3 GLN 109 2HB GLN 109 0.528 -0.514 6.305 843 HG2 GLN 109 1HG GLN 109 -1.562 -1.352 6.449 844 HG3 GLN 109 2HG GLN 109 -0.708 -2.708 7.191 845 HE21 GLN 109 1HE2 GLN 109 -2.460 -3.358 8.405 846 HE22 GLN 109 2HE2 GLN 109 -3.064 -2.452 9.749 847 H LYS 110 H LYS 110 1.282 -4.018 8.521 848 HA LYS 110 HA LYS 110 -0.013 -3.717 10.996 849 HB2 LYS 110 1HB LYS 110 -0.119 -5.763 9.652 850 HB3 LYS 110 2HB LYS 110 1.591 -6.039 9.923 851 HG2 LYS 110 1HG LYS 110 1.206 -6.309 12.294 852 HG3 LYS 110 2HG LYS 110 -0.515 -6.010 12.064 853 HD2 LYS 110 1HD LYS 110 1.071 -8.297 10.896 854 HD3 LYS 110 2HD LYS 110 -0.053 -8.400 12.252 855 HE2 LYS 110 1HE LYS 110 -1.879 -7.695 10.770 856 HE3 LYS 110 2HE LYS 110 -0.748 -7.631 9.419 857 HZ1 LYS 110 1HZ LYS 110 -1.963 -9.688 9.388 858 HZ2 LYS 110 2HZ LYS 110 -1.492 -10.048 10.971 859 HZ3 LYS 110 3HZ LYS 110 -0.339 -10.010 9.736 860 H ASN 111 H ASN 111 3.396 -3.993 10.119 861 HA ASN 111 HA ASN 111 4.043 -3.555 12.956 862 HB2 ASN 111 1HB ASN 111 5.329 -5.376 13.046 863 HB3 ASN 111 2HB ASN 111 4.648 -5.848 11.499 864 HD21 ASN 111 1HD2 ASN 111 5.865 -5.626 9.643 865 HD22 ASN 111 2HD2 ASN 111 7.561 -5.298 9.677 866 H ASN 112 H ASN 112 4.421 -2.508 9.738 867 HA ASN 112 HA ASN 112 6.561 -0.676 10.600 868 HB2 ASN 112 1HB ASN 112 6.324 -2.168 7.990 869 HB3 ASN 112 2HB ASN 112 7.317 -0.716 8.170 870 HD21 ASN 112 1HD2 ASN 112 7.933 -3.596 7.629 871 HD22 ASN 112 2HD2 ASN 112 9.168 -3.990 8.785 872 H LEU 113 H LEU 113 4.238 0.370 11.013 873 HA LEU 113 HA LEU 113 3.159 1.562 8.612 874 HB2 LEU 113 1HB LEU 113 1.561 0.865 10.240 875 HB3 LEU 113 2HB LEU 113 2.341 1.806 11.496 876 HG LEU 113 HG LEU 113 1.704 3.873 10.249 877 HD11 LEU 113 1HD1 LEU 113 0.114 3.745 8.448 878 HD12 LEU 113 2HD1 LEU 113 0.060 1.988 8.572 879 HD13 LEU 113 3HD1 LEU 113 1.535 2.785 8.027 880 HD21 LEU 113 1HD2 LEU 113 -0.642 3.803 10.888 881 HD22 LEU 113 2HD2 LEU 113 0.353 3.004 12.107 882 HD23 LEU 113 3HD2 LEU 113 -0.583 2.041 10.963 883 H SER 114 H SER 114 5.068 2.544 11.394 884 HA SER 114 HA SER 114 4.971 5.327 10.998 885 HB2 SER 114 1HB SER 114 7.246 3.685 12.144 886 HB3 SER 114 2HB SER 114 7.012 5.418 12.358 887 HG SER 114 HG SER 114 5.367 5.065 13.696 888 H LEU 115 H LEU 115 6.941 2.821 9.520 889 HA LEU 115 HA LEU 115 8.766 4.497 8.180 890 HB2 LEU 115 1HB LEU 115 9.075 2.071 8.446 891 HB3 LEU 115 2HB LEU 115 7.722 1.787 7.371 892 HG LEU 115 HG LEU 115 8.982 2.918 5.550 893 HD11 LEU 115 1HD1 LEU 115 11.150 2.944 7.628 894 HD12 LEU 115 2HD1 LEU 115 10.429 4.328 6.809 895 HD13 LEU 115 3HD1 LEU 115 11.429 3.190 5.904 896 HD21 LEU 115 1HD2 LEU 115 8.986 0.490 5.732 897 HD22 LEU 115 2HD2 LEU 115 10.360 0.564 6.834 898 HD23 LEU 115 3HD2 LEU 115 10.547 1.077 5.158 899 H ILE 116 H ILE 116 5.607 3.206 7.314 900 HA ILE 116 HA ILE 116 5.529 4.014 4.644 901 HB ILE 116 HB ILE 116 3.313 3.553 6.643 902 HG12 ILE 116 1HG1 ILE 116 4.291 1.900 4.303 903 HG13 ILE 116 2HG1 ILE 116 4.737 1.621 5.993 904 HG21 ILE 116 1HG2 ILE 116 1.777 3.474 4.738 905 HG22 ILE 116 2HG2 ILE 116 3.082 3.990 3.671 906 HG23 ILE 116 3HG2 ILE 116 2.492 5.077 4.929 907 HD11 ILE 116 1HD1 ILE 116 1.969 1.454 4.824 908 HD12 ILE 116 2HD1 ILE 116 2.378 1.204 6.519 909 HD13 ILE 116 3HD1 ILE 116 2.988 0.096 5.290 910 H LYS 117 H LYS 117 4.506 5.635 7.602 911 HA LYS 117 HA LYS 117 3.450 7.955 6.419 912 HB2 LYS 117 1HB LYS 117 4.616 7.448 9.149 913 HB3 LYS 117 2HB LYS 117 3.880 8.976 8.692 914 HG2 LYS 117 1HG LYS 117 1.765 7.824 8.259 915 HG3 LYS 117 2HG LYS 117 2.498 6.292 8.733 916 HD2 LYS 117 1HD LYS 117 2.886 7.153 10.978 917 HD3 LYS 117 2HD LYS 117 2.227 8.721 10.513 918 HE2 LYS 117 1HE LYS 117 0.055 7.685 10.091 919 HE3 LYS 117 2HE LYS 117 0.714 6.110 10.535 920 HZ1 LYS 117 1HZ LYS 117 -0.507 7.133 12.359 921 HZ2 LYS 117 2HZ LYS 117 0.532 8.463 12.337 922 HZ3 LYS 117 3HZ LYS 117 1.124 6.937 12.757 923 H ALA 118 H ALA 118 6.698 7.077 7.454 924 HA ALA 118 HA ALA 118 7.786 9.704 7.062 925 HB1 ALA 118 1HB ALA 118 8.713 8.209 8.716 926 HB2 ALA 118 2HB ALA 118 9.934 8.622 7.512 927 HB3 ALA 118 3HB ALA 118 9.138 7.048 7.461 928 H SER 119 H SER 119 7.268 6.943 5.044 929 HA SER 119 HA SER 119 9.311 7.408 3.153 930 HB2 SER 119 1HB SER 119 6.655 6.012 2.764 931 HB3 SER 119 2HB SER 119 8.058 5.883 1.702 932 HG SER 119 HG SER 119 8.188 5.240 4.456 933 H ILE 120 H ILE 120 6.008 8.586 3.429 934 HA ILE 120 HA ILE 120 6.196 9.970 0.868 935 HB ILE 120 HB ILE 120 3.863 10.688 1.339 936 HG12 ILE 120 1HG1 ILE 120 4.027 8.848 3.726 937 HG13 ILE 120 2HG1 ILE 120 4.152 10.601 3.846 938 HG21 ILE 120 1HG2 ILE 120 4.389 7.730 1.551 939 HG22 ILE 120 2HG2 ILE 120 4.271 8.670 0.062 940 HG23 ILE 120 3HG2 ILE 120 2.851 8.461 1.089 941 HD11 ILE 120 1HD1 ILE 120 1.794 9.046 2.820 942 HD12 ILE 120 2HD1 ILE 120 1.916 10.804 2.867 943 HD13 ILE 120 3HD1 ILE 120 1.917 9.880 4.368 944 H LYS 121 H LYS 121 7.367 10.585 3.804 945 HA LYS 121 HA LYS 121 6.498 13.339 4.074 946 HB2 LYS 121 1HB LYS 121 6.734 11.980 6.082 947 HB3 LYS 121 2HB LYS 121 8.422 11.673 5.702 948 HG2 LYS 121 1HG LYS 121 8.914 14.058 5.966 949 HG3 LYS 121 2HG LYS 121 7.220 14.356 6.353 950 HD2 LYS 121 1HD LYS 121 8.540 14.246 8.386 951 HD3 LYS 121 2HD LYS 121 7.417 12.890 8.311 952 HE2 LYS 121 1HE LYS 121 9.611 12.171 9.093 953 HE3 LYS 121 2HE LYS 121 9.219 11.430 7.545 954 HZ1 LYS 121 1HZ LYS 121 11.517 12.238 7.673 955 HZ2 LYS 121 2HZ LYS 121 10.952 13.816 7.882 956 HZ3 LYS 121 3HZ LYS 121 10.645 12.993 6.438 957 H LYS 122 H LYS 122 7.606 15.065 3.428 958 HA LYS 122 HA LYS 122 10.304 14.708 2.335 959 HB2 LYS 122 1HB LYS 122 9.153 17.387 2.183 960 HB3 LYS 122 2HB LYS 122 9.897 16.421 0.942 961 HG2 LYS 122 1HG LYS 122 7.798 15.164 0.663 962 HG3 LYS 122 2HG LYS 122 7.039 16.227 1.851 963 HD2 LYS 122 1HD LYS 122 8.335 17.192 -0.696 964 HD3 LYS 122 2HD LYS 122 6.611 16.858 -0.533 965 HE2 LYS 122 1HE LYS 122 8.129 18.833 1.168 966 HE3 LYS 122 2HE LYS 122 7.217 19.263 -0.277 967 HZ1 LYS 122 1HZ LYS 122 6.114 18.035 2.190 968 HZ2 LYS 122 2HZ LYS 122 5.222 18.356 0.785 969 HZ3 LYS 122 3HZ LYS 122 5.890 19.631 1.679 970 H ASP 123 H ASP 123 11.914 15.042 3.675 971 HA ASP 123 HA ASP 123 11.503 16.443 6.162 972 HB2 ASP 123 1HB ASP 123 12.876 14.417 6.120 973 HB3 ASP 123 2HB ASP 123 14.005 15.195 5.015 974 H21 ACD 201 H21 ACD 1 -4.468 4.547 1.419 975 H22 ACD 201 H22 ACD 1 -3.484 5.164 2.751 976 H31 ACD 201 H31 ACD 1 -2.102 6.445 1.232 977 H32 ACD 201 H32 ACD 1 -3.167 6.107 -0.128 978 H41 ACD 201 H41 ACD 1 -2.603 3.676 0.054 979 H42 ACD 201 H42 ACD 1 -1.172 4.674 -0.244 980 H5 ACD 201 H5 ACD 1 -1.841 3.194 2.353 981 H6 ACD 201 H6 ACD 1 0.361 3.912 2.952 982 H71 ACD 201 H71 ACD 1 0.825 4.929 0.255 983 H72 ACD 201 H72 ACD 1 -0.082 6.192 1.083 984 H8 ACD 201 H8 ACD 1 1.798 6.576 2.664 985 H9 ACD 201 H9 ACD 1 3.899 5.598 2.096 986 H101 ACD 201 H101 ACD 1 2.814 4.661 -0.437 987 H102 ACD 201 H102 ACD 1 2.352 3.428 0.738 988 H11 ACD 201 H11 ACD 1 5.309 4.286 0.606 989 H12 ACD 201 H12 ACD 1 5.626 1.956 0.274 990 H131 ACD 201 H131 ACD 1 2.662 2.020 -0.462 991 H132 ACD 201 H132 ACD 1 3.750 0.635 -0.578 992 H14 ACD 201 H14 ACD 1 2.624 1.662 2.127 993 H15 ACD 201 H15 ACD 1 2.475 -0.679 2.540 994 H161 ACD 201 H161 ACD 1 2.648 -1.361 -0.256 995 H162 ACD 201 H162 ACD 1 4.313 -0.969 0.177 996 H171 ACD 201 H171 ACD 1 4.356 -2.656 1.909 997 H172 ACD 201 H172 ACD 1 2.617 -2.936 1.760 998 H181 ACD 201 H181 ACD 1 4.658 -3.467 -0.441 999 H182 ACD 201 H182 ACD 1 2.930 -3.814 -0.525 1000 H191 ACD 201 H191 ACD 1 4.926 -5.061 1.418 1001 H192 ACD 201 H192 ACD 1 3.184 -5.353 1.460 1002 H201 ACD 201 H201 ACD 1 3.303 -6.256 -0.832 1003 H202 ACD 201 H202 ACD 1 4.349 -7.132 0.231 1004 H203 ACD 201 H203 ACD 1 5.008 -5.970 -0.868 Start of MODEL 7 1 H1 MET 1 1H MET 1 12.286 13.050 -16.298 2 H2 MET 1 2H MET 1 11.965 13.926 -17.703 3 H3 MET 1 3H MET 1 11.395 14.484 -16.217 4 HA MET 1 HA MET 1 14.232 14.262 -17.035 5 HB2 MET 1 1HB MET 1 12.490 16.686 -16.528 6 HB3 MET 1 2HB MET 1 14.214 16.731 -16.863 7 HG2 MET 1 1HG MET 1 13.812 15.777 -19.074 8 HG3 MET 1 2HG MET 1 12.083 15.732 -18.736 9 HE1 MET 1 1HE MET 1 11.571 17.086 -20.955 10 HE2 MET 1 2HE MET 1 13.295 17.121 -21.327 11 HE3 MET 1 3HE MET 1 12.351 18.610 -21.374 12 H GLU 2 H GLU 2 12.080 15.756 -14.620 13 HA GLU 2 HA GLU 2 14.175 15.548 -12.609 14 HB2 GLU 2 1HB GLU 2 11.424 16.781 -12.504 15 HB3 GLU 2 2HB GLU 2 12.610 16.842 -11.207 16 HG2 GLU 2 1HG GLU 2 14.089 18.162 -12.548 17 HG3 GLU 2 2HG GLU 2 13.049 17.966 -13.956 18 H PHE 3 H PHE 3 14.268 13.980 -11.163 19 HA PHE 3 HA PHE 3 12.397 11.838 -11.219 20 HB2 PHE 3 1HB PHE 3 14.781 11.494 -10.726 21 HB3 PHE 3 2HB PHE 3 14.600 12.393 -9.216 22 HD1 PHE 3 HD1 PHE 3 13.390 9.404 -11.040 23 HD2 PHE 3 HD2 PHE 3 14.003 11.261 -7.264 24 HE1 PHE 3 HE1 PHE 3 12.805 7.295 -9.916 25 HE2 PHE 3 HE2 PHE 3 13.421 9.155 -6.130 26 HZ PHE 3 HZ PHE 3 12.820 7.169 -7.457 27 H THR 4 H THR 4 10.457 11.919 -10.348 28 HA THR 4 HA THR 4 10.067 13.533 -7.910 29 HB THR 4 HB THR 4 7.659 13.101 -9.501 30 HG1 THR 4 HG1 THR 4 9.972 14.107 -10.698 31 HG21 THR 4 1HG2 THR 4 7.776 14.625 -7.619 32 HG22 THR 4 2HG2 THR 4 7.414 15.509 -9.101 33 HG23 THR 4 3HG2 THR 4 9.041 15.552 -8.423 34 H VAL 5 H VAL 5 9.730 12.292 -6.248 35 HA VAL 5 HA VAL 5 8.433 9.682 -6.550 36 HB VAL 5 HB VAL 5 9.475 9.018 -4.646 37 HG11 VAL 5 1HG1 VAL 5 11.260 9.965 -6.011 38 HG12 VAL 5 2HG1 VAL 5 11.631 9.994 -4.289 39 HG13 VAL 5 3HG1 VAL 5 11.137 11.474 -5.106 40 HG21 VAL 5 1HG2 VAL 5 8.123 10.444 -3.186 41 HG22 VAL 5 2HG2 VAL 5 9.237 11.783 -3.471 42 HG23 VAL 5 3HG2 VAL 5 9.793 10.335 -2.630 43 H SER 6 H SER 6 6.705 9.105 -5.064 44 HA SER 6 HA SER 6 4.706 11.185 -5.149 45 HB2 SER 6 1HB SER 6 4.407 8.334 -4.173 46 HB3 SER 6 2HB SER 6 3.119 9.432 -4.673 47 HG SER 6 HG SER 6 4.570 7.770 -6.184 48 H THR 7 H THR 7 5.168 12.649 -3.539 49 HA THR 7 HA THR 7 5.653 11.777 -0.825 50 HB THR 7 HB THR 7 5.760 14.178 -0.291 51 HG1 THR 7 HG1 THR 7 4.969 14.453 -3.028 52 HG21 THR 7 1HG2 THR 7 7.307 13.375 -2.750 53 HG22 THR 7 2HG2 THR 7 7.766 13.061 -1.077 54 HG23 THR 7 3HG2 THR 7 7.716 14.716 -1.684 55 H THR 8 H THR 8 4.360 13.447 0.802 56 HA THR 8 HA THR 8 1.794 12.380 1.085 57 HB THR 8 HB THR 8 2.691 15.046 2.182 58 HG1 THR 8 HG1 THR 8 3.965 12.824 2.516 59 HG21 THR 8 1HG2 THR 8 1.222 14.387 4.075 60 HG22 THR 8 2HG2 THR 8 0.722 12.974 3.145 61 HG23 THR 8 3HG2 THR 8 0.354 14.593 2.555 62 H GLU 9 H GLU 9 2.909 15.387 -0.348 63 HA GLU 9 HA GLU 9 0.426 16.572 -0.823 64 HB2 GLU 9 1HB GLU 9 3.009 16.879 -2.358 65 HB3 GLU 9 2HB GLU 9 1.637 17.978 -2.429 66 HG2 GLU 9 1HG GLU 9 1.923 18.580 -0.131 67 HG3 GLU 9 2HG GLU 9 3.179 17.363 0.076 68 H ASP 10 H ASP 10 2.435 14.482 -2.859 69 HA ASP 10 HA ASP 10 0.698 14.463 -5.099 70 HB2 ASP 10 1HB ASP 10 2.671 12.315 -4.280 71 HB3 ASP 10 2HB ASP 10 1.967 12.552 -5.878 72 H LEU 11 H LEU 11 1.012 12.452 -2.239 73 HA LEU 11 HA LEU 11 -0.687 10.381 -3.025 74 HB2 LEU 11 1HB LEU 11 0.829 10.135 -1.166 75 HB3 LEU 11 2HB LEU 11 -0.026 11.386 -0.253 76 HG LEU 11 HG LEU 11 -2.028 9.889 -0.266 77 HD11 LEU 11 1HD1 LEU 11 -1.763 7.569 -0.852 78 HD12 LEU 11 2HD1 LEU 11 -0.080 7.844 -1.303 79 HD13 LEU 11 3HD1 LEU 11 -1.378 8.577 -2.244 80 HD21 LEU 11 1HD2 LEU 11 -0.458 10.029 1.640 81 HD22 LEU 11 2HD2 LEU 11 0.448 8.677 0.958 82 HD23 LEU 11 3HD2 LEU 11 -1.217 8.444 1.490 83 H GLN 12 H GLN 12 -1.335 13.501 -1.577 84 HA GLN 12 HA GLN 12 -4.013 13.035 -0.826 85 HB2 GLN 12 1HB GLN 12 -2.546 15.569 -1.531 86 HB3 GLN 12 2HB GLN 12 -4.217 15.551 -0.984 87 HG2 GLN 12 1HG GLN 12 -1.843 14.543 0.565 88 HG3 GLN 12 2HG GLN 12 -2.687 16.064 0.839 89 HE21 GLN 12 1HE2 GLN 12 -2.787 12.621 1.211 90 HE22 GLN 12 2HE2 GLN 12 -4.149 12.571 2.273 91 H ARG 13 H ARG 13 -2.506 13.875 -3.843 92 HA ARG 13 HA ARG 13 -4.891 14.570 -5.227 93 HB2 ARG 13 1HB ARG 13 -2.757 15.317 -6.082 94 HB3 ARG 13 2HB ARG 13 -2.190 13.660 -6.232 95 HG2 ARG 13 1HG ARG 13 -3.951 13.242 -7.911 96 HG3 ARG 13 2HG ARG 13 -4.407 14.953 -7.811 97 HD2 ARG 13 1HD ARG 13 -2.268 15.627 -8.642 98 HD3 ARG 13 2HD ARG 13 -1.654 13.977 -8.542 99 HE ARG 13 HE ARG 13 -3.814 13.790 -10.203 100 HH11 ARG 13 1HH1 ARG 13 -0.894 15.732 -10.192 101 HH12 ARG 13 2HH1 ARG 13 -0.778 15.800 -11.921 102 HH21 ARG 13 1HH2 ARG 13 -3.664 13.872 -12.477 103 HH22 ARG 13 2HH2 ARG 13 -2.368 14.752 -13.224 104 H TYR 14 H TYR 14 -2.806 11.672 -5.462 105 HA TYR 14 HA TYR 14 -4.432 10.251 -7.217 106 HB2 TYR 14 1HB TYR 14 -2.670 9.007 -5.102 107 HB3 TYR 14 2HB TYR 14 -3.184 8.285 -6.618 108 HD1 TYR 14 HD1 TYR 14 -2.651 10.210 -8.644 109 HD2 TYR 14 HD2 TYR 14 -0.388 9.363 -5.140 110 HE1 TYR 14 HE1 TYR 14 -0.619 11.029 -9.764 111 HE2 TYR 14 HE2 TYR 14 1.645 10.187 -6.247 112 HH TYR 14 HH TYR 14 1.584 11.946 -9.141 113 H ARG 15 H ARG 15 -4.478 10.371 -3.707 114 HA ARG 15 HA ARG 15 -6.191 8.163 -3.346 115 HB2 ARG 15 1HB ARG 15 -5.340 8.487 -1.318 116 HB3 ARG 15 2HB ARG 15 -4.845 10.120 -1.725 117 HG2 ARG 15 1HG ARG 15 -7.026 10.968 -1.057 118 HG3 ARG 15 2HG ARG 15 -7.581 9.321 -0.737 119 HD2 ARG 15 1HD ARG 15 -5.801 9.079 0.957 120 HD3 ARG 15 2HD ARG 15 -5.326 10.750 0.677 121 HE ARG 15 HE ARG 15 -7.830 11.134 1.347 122 HH11 ARG 15 1HH1 ARG 15 -5.570 8.835 2.721 123 HH12 ARG 15 2HH1 ARG 15 -6.252 8.931 4.315 124 HH21 ARG 15 1HH2 ARG 15 -8.736 11.262 3.433 125 HH22 ARG 15 2HH2 ARG 15 -8.067 10.309 4.717 126 H THR 16 H THR 16 -6.758 11.587 -3.799 127 HA THR 16 HA THR 16 -9.538 11.529 -3.220 128 HB THR 16 HB THR 16 -7.850 13.496 -4.771 129 HG1 THR 16 HG1 THR 16 -7.235 13.905 -2.788 130 HG21 THR 16 1HG2 THR 16 -10.670 13.804 -3.738 131 HG22 THR 16 2HG2 THR 16 -10.195 13.678 -5.432 132 HG23 THR 16 3HG2 THR 16 -9.696 15.075 -4.479 133 H GLU 17 H GLU 17 -7.654 11.506 -6.230 134 HA GLU 17 HA GLU 17 -9.813 11.403 -8.030 135 HB2 GLU 17 1HB GLU 17 -7.229 9.989 -8.627 136 HB3 GLU 17 2HB GLU 17 -8.256 10.916 -9.699 137 HG2 GLU 17 1HG GLU 17 -7.556 12.979 -8.738 138 HG3 GLU 17 2HG GLU 17 -6.650 12.142 -7.476 139 H CYS 18 H CYS 18 -8.127 8.841 -6.279 140 HA CYS 18 HA CYS 18 -9.516 6.713 -7.565 141 HB2 CYS 18 1HB CYS 18 -8.011 6.820 -4.946 142 HB3 CYS 18 2HB CYS 18 -8.736 5.349 -5.607 143 H VAL 19 H VAL 19 -10.136 8.711 -4.753 144 HA VAL 19 HA VAL 19 -12.234 7.203 -3.661 145 HB VAL 19 HB VAL 19 -11.385 10.054 -3.406 146 HG11 VAL 19 1HG1 VAL 19 -13.935 8.971 -2.217 147 HG12 VAL 19 2HG1 VAL 19 -13.843 10.134 -3.541 148 HG13 VAL 19 3HG1 VAL 19 -13.236 10.567 -1.941 149 HG21 VAL 19 1HG2 VAL 19 -10.263 8.400 -2.060 150 HG22 VAL 19 2HG2 VAL 19 -11.808 7.776 -1.477 151 HG23 VAL 19 3HG2 VAL 19 -11.281 9.397 -1.019 152 H SER 20 H SER 20 -12.282 9.969 -5.863 153 HA SER 20 HA SER 20 -15.059 10.042 -6.236 154 HB2 SER 20 1HB SER 20 -12.885 10.875 -8.169 155 HB3 SER 20 2HB SER 20 -14.563 11.420 -8.193 156 HG SER 20 HG SER 20 -13.638 11.860 -5.755 157 H SER 21 H SER 21 -12.548 8.184 -7.921 158 HA SER 21 HA SER 21 -14.271 7.408 -10.074 159 HB2 SER 21 1HB SER 21 -11.584 6.324 -9.209 160 HB3 SER 21 2HB SER 21 -12.375 5.996 -10.754 161 HG SER 21 HG SER 21 -11.063 8.276 -9.864 162 H LEU 22 H LEU 22 -13.061 5.779 -7.139 163 HA LEU 22 HA LEU 22 -14.396 3.323 -7.880 164 HB2 LEU 22 1HB LEU 22 -12.789 4.136 -5.471 165 HB3 LEU 22 2HB LEU 22 -13.534 2.544 -5.642 166 HG LEU 22 HG LEU 22 -11.537 3.671 -7.595 167 HD11 LEU 22 1HD1 LEU 22 -9.940 2.144 -6.502 168 HD12 LEU 22 2HD1 LEU 22 -11.149 1.807 -5.262 169 HD13 LEU 22 3HD1 LEU 22 -10.487 3.433 -5.429 170 HD21 LEU 22 1HD2 LEU 22 -12.536 0.867 -7.135 171 HD22 LEU 22 2HD2 LEU 22 -11.384 1.388 -8.368 172 HD23 LEU 22 3HD2 LEU 22 -13.061 1.931 -8.440 173 H ASN 23 H ASN 23 -15.739 5.994 -7.002 174 HA ASN 23 HA ASN 23 -17.591 6.681 -5.871 175 HB2 ASN 23 1HB ASN 23 -18.272 3.742 -6.006 176 HB3 ASN 23 2HB ASN 23 -19.398 5.030 -5.636 177 HD21 ASN 23 1HD2 ASN 23 -17.590 3.443 -8.109 178 HD22 ASN 23 2HD2 ASN 23 -18.341 4.239 -9.451 179 H ILE 24 H ILE 24 -15.323 6.199 -4.251 180 HA ILE 24 HA ILE 24 -15.982 4.707 -1.929 181 HB ILE 24 HB ILE 24 -13.980 6.958 -2.123 182 HG12 ILE 24 1HG1 ILE 24 -13.568 5.302 -3.909 183 HG13 ILE 24 2HG1 ILE 24 -12.301 5.269 -2.686 184 HG21 ILE 24 1HG2 ILE 24 -14.167 4.577 -0.285 185 HG22 ILE 24 2HG2 ILE 24 -14.488 6.258 0.142 186 HG23 ILE 24 3HG2 ILE 24 -12.858 5.758 -0.303 187 HD11 ILE 24 1HD1 ILE 24 -13.307 3.275 -1.706 188 HD12 ILE 24 2HD1 ILE 24 -12.896 3.036 -3.404 189 HD13 ILE 24 3HD1 ILE 24 -14.573 3.315 -2.935 190 HA PRO 25 HA PRO 25 -18.847 7.722 -0.240 191 HB2 PRO 25 1HB PRO 25 -18.633 6.039 2.153 192 HB3 PRO 25 2HB PRO 25 -20.054 6.443 1.186 193 HG2 PRO 25 1HG PRO 25 -18.949 3.992 1.179 194 HG3 PRO 25 2HG PRO 25 -19.745 4.690 -0.242 195 HD2 PRO 25 1HD PRO 25 -16.830 4.393 0.348 196 HD3 PRO 25 2HD PRO 25 -17.696 4.250 -1.202 197 H ALA 26 H ALA 26 -18.644 9.431 1.050 198 HA ALA 26 HA ALA 26 -16.188 10.392 1.885 199 HB1 ALA 26 1HB ALA 26 -18.901 11.105 2.987 200 HB2 ALA 26 2HB ALA 26 -18.185 11.766 1.518 201 HB3 ALA 26 3HB ALA 26 -17.445 12.094 3.086 202 H ASP 27 H ASP 27 -18.532 8.468 3.632 203 HA ASP 27 HA ASP 27 -17.636 8.631 6.231 204 HB2 ASP 27 1HB ASP 27 -18.700 6.249 4.710 205 HB3 ASP 27 2HB ASP 27 -18.441 6.249 6.450 206 H TYR 28 H TYR 28 -16.529 6.267 3.780 207 HA TYR 28 HA TYR 28 -14.514 5.150 5.352 208 HB2 TYR 28 1HB TYR 28 -15.052 5.248 2.413 209 HB3 TYR 28 2HB TYR 28 -13.531 4.568 2.992 210 HD1 TYR 28 HD1 TYR 28 -13.464 2.392 3.957 211 HD2 TYR 28 HD2 TYR 28 -17.216 4.235 3.157 212 HE1 TYR 28 HE1 TYR 28 -14.601 0.264 4.417 213 HE2 TYR 28 HE2 TYR 28 -18.361 2.106 3.612 214 HH TYR 28 HH TYR 28 -17.824 -0.317 3.603 215 H VAL 29 H VAL 29 -14.496 7.950 3.224 216 HA VAL 29 HA VAL 29 -11.746 8.415 3.076 217 HB VAL 29 HB VAL 29 -13.970 10.438 3.093 218 HG11 VAL 29 1HG1 VAL 29 -11.849 11.517 3.465 219 HG12 VAL 29 2HG1 VAL 29 -12.371 11.827 1.809 220 HG13 VAL 29 3HG1 VAL 29 -11.124 10.620 2.133 221 HG21 VAL 29 1HG2 VAL 29 -12.654 8.940 0.841 222 HG22 VAL 29 2HG2 VAL 29 -13.791 10.275 0.639 223 HG23 VAL 29 3HG2 VAL 29 -14.321 8.771 1.393 224 H GLU 30 H GLU 30 -14.125 9.427 5.515 225 HA GLU 30 HA GLU 30 -12.459 11.038 7.121 226 HB2 GLU 30 1HB GLU 30 -14.585 9.212 8.247 227 HB3 GLU 30 2HB GLU 30 -14.018 10.758 8.862 228 HG2 GLU 30 1HG GLU 30 -15.396 10.574 6.222 229 HG3 GLU 30 2HG GLU 30 -16.294 10.696 7.732 230 H LYS 31 H LYS 31 -12.893 7.550 7.016 231 HA LYS 31 HA LYS 31 -11.369 6.947 9.326 232 HB2 LYS 31 1HB LYS 31 -11.899 5.214 6.906 233 HB3 LYS 31 2HB LYS 31 -11.311 4.658 8.479 234 HG2 LYS 31 1HG LYS 31 -13.413 5.434 9.501 235 HG3 LYS 31 2HG LYS 31 -13.996 5.896 7.901 236 HD2 LYS 31 1HD LYS 31 -13.669 3.523 7.182 237 HD3 LYS 31 2HD LYS 31 -13.299 3.125 8.872 238 HE2 LYS 31 1HE LYS 31 -15.870 4.414 7.953 239 HE3 LYS 31 2HE LYS 31 -15.675 2.682 8.219 240 HZ1 LYS 31 1HZ LYS 31 -15.234 3.079 10.520 241 HZ2 LYS 31 2HZ LYS 31 -16.667 3.877 10.116 242 HZ3 LYS 31 3HZ LYS 31 -15.235 4.756 10.299 243 H PHE 32 H PHE 32 -10.579 7.029 5.878 244 HA PHE 32 HA PHE 32 -7.956 6.074 6.102 245 HB2 PHE 32 1HB PHE 32 -9.040 7.896 3.954 246 HB3 PHE 32 2HB PHE 32 -7.628 6.855 3.832 247 HD1 PHE 32 HD1 PHE 32 -10.194 6.995 2.084 248 HD2 PHE 32 HD2 PHE 32 -8.942 4.463 5.263 249 HE1 PHE 32 HE1 PHE 32 -11.613 5.192 1.200 250 HE2 PHE 32 HE2 PHE 32 -10.358 2.657 4.387 251 HZ PHE 32 HZ PHE 32 -11.693 3.017 2.351 252 H LYS 33 H LYS 33 -9.263 9.169 6.841 253 HA LYS 33 HA LYS 33 -6.774 10.598 6.536 254 HB2 LYS 33 1HB LYS 33 -9.248 11.501 6.484 255 HB3 LYS 33 2HB LYS 33 -9.028 11.593 8.228 256 HG2 LYS 33 1HG LYS 33 -7.102 13.028 7.955 257 HG3 LYS 33 2HG LYS 33 -7.233 12.899 6.194 258 HD2 LYS 33 1HD LYS 33 -9.451 13.960 6.309 259 HD3 LYS 33 2HD LYS 33 -9.272 14.122 8.058 260 HE2 LYS 33 1HE LYS 33 -7.505 15.380 5.962 261 HE3 LYS 33 2HE LYS 33 -8.729 16.213 6.919 262 HZ1 LYS 33 1HZ LYS 33 -6.257 14.926 7.950 263 HZ2 LYS 33 2HZ LYS 33 -7.457 15.619 8.918 264 HZ3 LYS 33 3HZ LYS 33 -6.566 16.586 7.862 265 H LYS 34 H LYS 34 -8.049 8.452 8.796 266 HA LYS 34 HA LYS 34 -6.127 9.385 10.818 267 HB2 LYS 34 1HB LYS 34 -8.775 7.998 11.100 268 HB3 LYS 34 2HB LYS 34 -7.563 7.858 12.368 269 HG2 LYS 34 1HG LYS 34 -7.549 10.288 12.609 270 HG3 LYS 34 2HG LYS 34 -8.753 10.422 11.328 271 HD2 LYS 34 1HD LYS 34 -10.329 9.123 12.677 272 HD3 LYS 34 2HD LYS 34 -9.120 8.983 13.955 273 HE2 LYS 34 1HE LYS 34 -9.109 11.429 14.184 274 HE3 LYS 34 2HE LYS 34 -10.345 11.543 12.934 275 HZ1 LYS 34 1HZ LYS 34 -11.326 11.670 15.122 276 HZ2 LYS 34 2HZ LYS 34 -10.642 10.187 15.557 277 HZ3 LYS 34 3HZ LYS 34 -11.825 10.249 14.353 278 H TRP 35 H TRP 35 -5.772 7.672 8.424 279 HA TRP 35 HA TRP 35 -4.786 5.755 7.744 280 HB2 TRP 35 1HB TRP 35 -3.661 5.966 10.534 281 HB3 TRP 35 2HB TRP 35 -3.099 4.778 9.353 282 HD1 TRP 35 HD1 TRP 35 -2.926 8.488 10.200 283 HE1 TRP 35 HE1 TRP 35 -1.129 9.602 8.730 284 HE3 TRP 35 HE3 TRP 35 -1.936 4.595 7.032 285 HZ2 TRP 35 HZ2 TRP 35 0.496 8.918 6.526 286 HZ3 TRP 35 HZ3 TRP 35 -0.250 4.906 5.276 287 HH2 TRP 35 HH2 TRP 35 0.946 7.016 5.024 288 H GLU 36 H GLU 36 -7.427 5.434 8.728 289 HA GLU 36 HA GLU 36 -7.325 2.773 9.955 290 HB2 GLU 36 1HB GLU 36 -9.490 4.862 9.890 291 HB3 GLU 36 2HB GLU 36 -9.806 3.193 10.344 292 HG2 GLU 36 1HG GLU 36 -7.775 4.940 11.700 293 HG3 GLU 36 2HG GLU 36 -9.441 4.767 12.246 294 H PHE 37 H PHE 37 -7.367 1.223 8.509 295 HA PHE 37 HA PHE 37 -9.081 1.558 6.133 296 HB2 PHE 37 1HB PHE 37 -6.588 -0.152 6.335 297 HB3 PHE 37 2HB PHE 37 -7.516 0.179 4.882 298 HD1 PHE 37 HD1 PHE 37 -7.158 2.175 3.619 299 HD2 PHE 37 HD2 PHE 37 -5.244 1.633 7.386 300 HE1 PHE 37 HE1 PHE 37 -5.713 4.112 3.164 301 HE2 PHE 37 HE2 PHE 37 -3.793 3.563 6.928 302 HZ PHE 37 HZ PHE 37 -4.029 4.807 4.817 303 HA PRO 38 HA PRO 38 -11.008 -1.986 8.393 304 HB2 PRO 38 1HB PRO 38 -13.239 -1.142 6.641 305 HB3 PRO 38 2HB PRO 38 -13.225 -1.474 8.384 306 HG2 PRO 38 1HG PRO 38 -13.415 1.025 7.496 307 HG3 PRO 38 2HG PRO 38 -12.420 0.633 8.912 308 HD2 PRO 38 1HD PRO 38 -11.541 1.123 6.073 309 HD3 PRO 38 2HD PRO 38 -10.829 1.730 7.601 310 H GLU 39 H GLU 39 -11.376 -4.020 7.664 311 HA GLU 39 HA GLU 39 -10.496 -4.672 5.033 312 HB2 GLU 39 1HB GLU 39 -11.691 -6.402 7.200 313 HB3 GLU 39 2HB GLU 39 -11.053 -7.019 5.682 314 HG2 GLU 39 1HG GLU 39 -8.862 -6.043 6.248 315 HG3 GLU 39 2HG GLU 39 -9.513 -5.553 7.808 316 H ASP 40 H ASP 40 -11.883 -3.664 3.672 317 HA ASP 40 HA ASP 40 -14.380 -5.072 3.130 318 HB2 ASP 40 1HB ASP 40 -15.084 -3.172 4.538 319 HB3 ASP 40 2HB ASP 40 -14.243 -2.054 3.468 320 H ASP 41 H ASP 41 -14.988 -4.951 0.959 321 HA ASP 41 HA ASP 41 -12.848 -4.982 -0.842 322 HB2 ASP 41 1HB ASP 41 -14.494 -5.260 -2.615 323 HB3 ASP 41 2HB ASP 41 -14.937 -6.242 -1.225 324 H THR 42 H THR 42 -14.982 -2.411 0.095 325 HA THR 42 HA THR 42 -14.470 -0.567 -1.967 326 HB THR 42 HB THR 42 -14.941 0.023 0.958 327 HG1 THR 42 HG1 THR 42 -16.638 -1.229 0.417 328 HG21 THR 42 1HG2 THR 42 -14.312 1.984 -0.277 329 HG22 THR 42 2HG2 THR 42 -16.043 2.051 0.057 330 HG23 THR 42 3HG2 THR 42 -15.470 1.601 -1.550 331 H THR 43 H THR 43 -13.048 -0.712 1.284 332 HA THR 43 HA THR 43 -10.996 1.123 0.931 333 HB THR 43 HB THR 43 -10.952 -1.318 2.707 334 HG1 THR 43 HG1 THR 43 -11.760 0.469 4.224 335 HG21 THR 43 1HG2 THR 43 -9.584 0.160 4.177 336 HG22 THR 43 2HG2 THR 43 -9.542 1.345 2.870 337 HG23 THR 43 3HG2 THR 43 -8.801 -0.239 2.646 338 H MET 44 H MET 44 -11.126 -2.308 0.193 339 HA MET 44 HA MET 44 -8.348 -2.730 0.004 340 HB2 MET 44 1HB MET 44 -10.611 -4.275 -1.260 341 HB3 MET 44 2HB MET 44 -8.948 -4.829 -1.149 342 HG2 MET 44 1HG MET 44 -9.090 -4.797 1.283 343 HG3 MET 44 2HG MET 44 -10.749 -4.218 1.183 344 HE1 MET 44 1HE MET 44 -9.828 -6.721 2.877 345 HE2 MET 44 2HE MET 44 -11.100 -7.887 2.506 346 HE3 MET 44 3HE MET 44 -11.510 -6.195 2.790 347 H CYS 45 H CYS 45 -10.812 -2.128 -2.496 348 HA CYS 45 HA CYS 45 -8.808 -2.192 -4.555 349 HB2 CYS 45 1HB CYS 45 -11.523 -2.572 -4.595 350 HB3 CYS 45 2HB CYS 45 -11.368 -0.957 -5.291 351 H TYR 46 H TYR 46 -10.199 0.217 -2.502 352 HA TYR 46 HA TYR 46 -9.427 2.527 -3.864 353 HB2 TYR 46 1HB TYR 46 -10.720 2.897 -1.961 354 HB3 TYR 46 2HB TYR 46 -9.747 1.812 -0.969 355 HD1 TYR 46 HD1 TYR 46 -9.410 5.047 -2.841 356 HD2 TYR 46 HD2 TYR 46 -8.309 2.734 0.563 357 HE1 TYR 46 HE1 TYR 46 -8.172 6.969 -1.933 358 HE2 TYR 46 HE2 TYR 46 -7.070 4.649 1.473 359 HH TYR 46 HH TYR 46 -6.145 6.693 0.905 360 H ILE 47 H ILE 47 -7.651 0.510 -1.565 361 HA ILE 47 HA ILE 47 -5.194 1.818 -1.713 362 HB ILE 47 HB ILE 47 -5.819 -1.078 -1.169 363 HG12 ILE 47 1HG1 ILE 47 -6.779 0.445 0.468 364 HG13 ILE 47 2HG1 ILE 47 -5.429 -0.421 1.198 365 HG21 ILE 47 1HG2 ILE 47 -3.560 -1.219 -0.181 366 HG22 ILE 47 2HG2 ILE 47 -3.212 0.393 -0.806 367 HG23 ILE 47 3HG2 ILE 47 -3.530 -0.936 -1.923 368 HD11 ILE 47 1HD1 ILE 47 -5.515 2.436 0.274 369 HD12 ILE 47 2HD1 ILE 47 -4.020 1.608 0.713 370 HD13 ILE 47 3HD1 ILE 47 -5.293 1.825 1.914 371 H LYS 48 H LYS 48 -6.612 -0.702 -3.724 372 HA LYS 48 HA LYS 48 -4.369 -1.377 -5.234 373 HB2 LYS 48 1HB LYS 48 -6.534 -2.614 -5.224 374 HB3 LYS 48 2HB LYS 48 -7.241 -1.314 -6.170 375 HG2 LYS 48 1HG LYS 48 -5.708 -1.778 -7.999 376 HG3 LYS 48 2HG LYS 48 -4.934 -3.041 -7.039 377 HD2 LYS 48 1HD LYS 48 -6.998 -4.310 -6.993 378 HD3 LYS 48 2HD LYS 48 -7.834 -3.029 -7.868 379 HE2 LYS 48 1HE LYS 48 -5.448 -4.500 -8.956 380 HE3 LYS 48 2HE LYS 48 -7.107 -5.011 -9.240 381 HZ1 LYS 48 1HZ LYS 48 -7.541 -2.882 -10.295 382 HZ2 LYS 48 2HZ LYS 48 -6.275 -3.694 -11.069 383 HZ3 LYS 48 3HZ LYS 48 -5.942 -2.399 -10.033 384 H CYS 49 H CYS 49 -6.948 0.971 -5.953 385 HA CYS 49 HA CYS 49 -5.916 1.909 -8.360 386 HB2 CYS 49 1HB CYS 49 -8.151 2.430 -7.810 387 HB3 CYS 49 2HB CYS 49 -7.694 3.238 -6.313 388 H VAL 50 H VAL 50 -5.435 3.171 -5.062 389 HA VAL 50 HA VAL 50 -3.928 5.412 -5.780 390 HB VAL 50 HB VAL 50 -4.006 3.845 -3.203 391 HG11 VAL 50 1HG1 VAL 50 -1.929 5.083 -3.286 392 HG12 VAL 50 2HG1 VAL 50 -3.047 5.867 -2.166 393 HG13 VAL 50 3HG1 VAL 50 -2.790 6.544 -3.774 394 HG21 VAL 50 1HG2 VAL 50 -6.124 4.807 -3.776 395 HG22 VAL 50 2HG2 VAL 50 -5.365 6.362 -4.110 396 HG23 VAL 50 3HG2 VAL 50 -5.406 5.738 -2.461 397 H PHE 51 H PHE 51 -2.957 2.183 -4.726 398 HA PHE 51 HA PHE 51 -0.190 2.630 -4.786 399 HB2 PHE 51 1HB PHE 51 -1.980 0.258 -4.655 400 HB3 PHE 51 2HB PHE 51 -0.296 -0.023 -5.088 401 HD1 PHE 51 HD1 PHE 51 0.238 -1.273 -3.130 402 HD2 PHE 51 HD2 PHE 51 -1.389 2.647 -2.802 403 HE1 PHE 51 HE1 PHE 51 0.809 -1.239 -0.739 404 HE2 PHE 51 HE2 PHE 51 -0.815 2.687 -0.411 405 HZ PHE 51 HZ PHE 51 0.284 0.744 0.623 406 H ASN 52 H ASN 52 -2.509 1.918 -7.224 407 HA ASN 52 HA ASN 52 -0.673 0.924 -9.192 408 HB2 ASN 52 1HB ASN 52 -3.051 0.293 -9.215 409 HB3 ASN 52 2HB ASN 52 -3.502 1.980 -9.477 410 HD21 ASN 52 1HD2 ASN 52 -0.771 0.370 -11.001 411 HD22 ASN 52 2HD2 ASN 52 -1.410 0.422 -12.608 412 H LYS 53 H LYS 53 -2.253 4.016 -8.515 413 HA LYS 53 HA LYS 53 -1.185 5.286 -10.843 414 HB2 LYS 53 1HB LYS 53 -2.607 6.316 -8.401 415 HB3 LYS 53 2HB LYS 53 -2.016 7.400 -9.651 416 HG2 LYS 53 1HG LYS 53 -3.421 5.858 -11.235 417 HG3 LYS 53 2HG LYS 53 -4.238 5.399 -9.741 418 HD2 LYS 53 1HD LYS 53 -5.476 7.186 -10.719 419 HD3 LYS 53 2HD LYS 53 -4.629 7.844 -9.317 420 HE2 LYS 53 1HE LYS 53 -2.910 8.769 -10.759 421 HE3 LYS 53 2HE LYS 53 -3.669 8.039 -12.172 422 HZ1 LYS 53 1HZ LYS 53 -4.810 10.178 -10.452 423 HZ2 LYS 53 2HZ LYS 53 -5.628 9.426 -11.732 424 HZ3 LYS 53 3HZ LYS 53 -4.246 10.344 -12.043 425 H MET 54 H MET 54 -0.116 4.780 -7.608 426 HA MET 54 HA MET 54 1.980 6.771 -7.767 427 HB2 MET 54 1HB MET 54 1.202 4.725 -5.701 428 HB3 MET 54 2HB MET 54 2.668 5.692 -5.559 429 HG2 MET 54 1HG MET 54 1.447 7.685 -5.394 430 HG3 MET 54 2HG MET 54 -0.038 6.917 -5.944 431 HE1 MET 54 1HE MET 54 1.786 6.635 -1.734 432 HE2 MET 54 2HE MET 54 2.395 7.612 -3.070 433 HE3 MET 54 3HE MET 54 2.624 5.864 -3.082 434 H GLN 55 H GLN 55 1.560 3.967 -9.253 435 HA GLN 55 HA GLN 55 2.817 2.399 -10.230 436 HB2 GLN 55 1HB GLN 55 4.704 4.682 -9.964 437 HB3 GLN 55 2HB GLN 55 5.291 3.151 -10.625 438 HG2 GLN 55 1HG GLN 55 3.581 3.248 -12.346 439 HG3 GLN 55 2HG GLN 55 2.962 4.743 -11.658 440 HE21 GLN 55 1HE2 GLN 55 3.314 5.917 -13.512 441 HE22 GLN 55 2HE2 GLN 55 4.897 6.343 -14.066 442 H LEU 56 H LEU 56 2.396 1.828 -7.650 443 HA LEU 56 HA LEU 56 4.961 0.840 -6.662 444 HB2 LEU 56 1HB LEU 56 2.757 2.262 -5.356 445 HB3 LEU 56 2HB LEU 56 3.330 0.856 -4.446 446 HG LEU 56 HG LEU 56 5.022 3.163 -5.408 447 HD11 LEU 56 1HD1 LEU 56 3.967 2.506 -2.663 448 HD12 LEU 56 2HD1 LEU 56 3.509 3.883 -3.661 449 HD13 LEU 56 3HD1 LEU 56 5.147 3.763 -3.024 450 HD21 LEU 56 1HD2 LEU 56 6.678 2.161 -3.809 451 HD22 LEU 56 2HD2 LEU 56 6.391 1.228 -5.278 452 HD23 LEU 56 3HD2 LEU 56 5.647 0.732 -3.757 453 H PHE 57 H PHE 57 1.804 0.072 -7.678 454 HA PHE 57 HA PHE 57 2.306 -2.755 -7.120 455 HB2 PHE 57 1HB PHE 57 0.738 -2.099 -5.376 456 HB3 PHE 57 2HB PHE 57 -0.299 -1.307 -6.554 457 HD1 PHE 57 HD1 PHE 57 -1.892 -2.528 -7.822 458 HD2 PHE 57 HD2 PHE 57 0.893 -4.569 -5.328 459 HE1 PHE 57 HE1 PHE 57 -3.183 -4.605 -8.083 460 HE2 PHE 57 HE2 PHE 57 -0.393 -6.649 -5.591 461 HZ PHE 57 HZ PHE 57 -2.432 -6.667 -6.968 462 H ASP 58 H ASP 58 1.877 -4.035 -8.804 463 HA ASP 58 HA ASP 58 0.517 -2.838 -11.125 464 HB2 ASP 58 1HB ASP 58 2.891 -3.369 -11.555 465 HB3 ASP 58 2HB ASP 58 2.612 -5.037 -11.069 466 H ASP 59 H ASP 59 -1.128 -3.943 -12.052 467 HA ASP 59 HA ASP 59 -2.632 -5.628 -10.349 468 HB2 ASP 59 1HB ASP 59 -3.667 -4.085 -11.945 469 HB3 ASP 59 2HB ASP 59 -3.017 -5.008 -13.283 470 H THR 60 H THR 60 -0.304 -6.261 -12.808 471 HA THR 60 HA THR 60 -1.116 -9.048 -13.049 472 HB THR 60 HB THR 60 0.909 -7.377 -14.523 473 HG1 THR 60 HG1 THR 60 -1.689 -7.859 -14.848 474 HG21 THR 60 1HG2 THR 60 1.796 -9.632 -14.316 475 HG22 THR 60 2HG2 THR 60 1.278 -9.317 -15.973 476 HG23 THR 60 3HG2 THR 60 0.276 -10.301 -14.906 477 H GLU 61 H GLU 61 2.004 -7.340 -12.561 478 HA GLU 61 HA GLU 61 3.268 -9.726 -11.604 479 HB2 GLU 61 1HB GLU 61 4.402 -6.963 -11.322 480 HB3 GLU 61 2HB GLU 61 5.242 -8.490 -11.525 481 HG2 GLU 61 1HG GLU 61 4.404 -8.653 -13.809 482 HG3 GLU 61 2HG GLU 61 3.593 -7.104 -13.612 483 H GLY 62 H GLY 62 1.379 -7.357 -10.064 484 HA2 GLY 62 1HA GLY 62 0.732 -7.357 -7.818 485 HA3 GLY 62 2HA GLY 62 2.044 -8.482 -7.467 486 HA PRO 63 HA PRO 63 3.368 -4.480 -5.642 487 HB2 PRO 63 1HB PRO 63 4.924 -5.632 -3.708 488 HB3 PRO 63 2HB PRO 63 3.186 -5.348 -3.530 489 HG2 PRO 63 1HG PRO 63 4.645 -7.847 -4.257 490 HG3 PRO 63 2HG PRO 63 3.264 -7.638 -3.173 491 HD2 PRO 63 1HD PRO 63 3.028 -8.563 -5.697 492 HD3 PRO 63 2HD PRO 63 1.750 -7.598 -4.922 493 H LEU 64 H LEU 64 4.964 -3.413 -6.627 494 HA LEU 64 HA LEU 64 7.194 -4.886 -7.788 495 HB2 LEU 64 1HB LEU 64 6.762 -1.892 -7.811 496 HB3 LEU 64 2HB LEU 64 7.915 -2.793 -8.764 497 HG LEU 64 HG LEU 64 6.264 -2.263 -10.285 498 HD11 LEU 64 1HD1 LEU 64 5.723 -5.027 -9.258 499 HD12 LEU 64 2HD1 LEU 64 6.822 -4.535 -10.548 500 HD13 LEU 64 3HD1 LEU 64 5.075 -4.391 -10.773 501 HD21 LEU 64 1HD2 LEU 64 4.186 -3.079 -8.274 502 HD22 LEU 64 2HD2 LEU 64 3.877 -2.518 -9.916 503 HD23 LEU 64 3HD2 LEU 64 4.598 -1.428 -8.735 504 H VAL 65 H VAL 65 8.482 -5.580 -6.267 505 HA VAL 65 HA VAL 65 8.969 -4.574 -3.775 506 HB VAL 65 HB VAL 65 10.804 -6.205 -5.511 507 HG11 VAL 65 1HG1 VAL 65 11.893 -6.902 -3.425 508 HG12 VAL 65 2HG1 VAL 65 10.907 -5.745 -2.531 509 HG13 VAL 65 3HG1 VAL 65 12.082 -5.172 -3.717 510 HG21 VAL 65 1HG2 VAL 65 8.776 -6.945 -3.419 511 HG22 VAL 65 2HG2 VAL 65 9.903 -8.076 -4.167 512 HG23 VAL 65 3HG2 VAL 65 8.683 -7.270 -5.149 513 H ASP 66 H ASP 66 10.903 -3.947 -6.706 514 HA ASP 66 HA ASP 66 12.931 -2.498 -5.430 515 HB2 ASP 66 1HB ASP 66 13.184 -3.345 -7.685 516 HB3 ASP 66 2HB ASP 66 11.929 -2.258 -8.267 517 H ASN 67 H ASN 67 10.055 -1.282 -7.154 518 HA ASN 67 HA ASN 67 10.422 1.433 -6.629 519 HB2 ASN 67 1HB ASN 67 7.840 -0.109 -6.960 520 HB3 ASN 67 2HB ASN 67 7.974 1.639 -7.011 521 HD21 ASN 67 1HD2 ASN 67 7.093 1.612 -9.101 522 HD22 ASN 67 2HD2 ASN 67 8.046 1.154 -10.474 523 H LEU 68 H LEU 68 8.947 -1.126 -4.778 524 HA LEU 68 HA LEU 68 7.756 0.407 -2.760 525 HB2 LEU 68 1HB LEU 68 8.632 -2.446 -3.003 526 HB3 LEU 68 2HB LEU 68 8.077 -1.829 -1.454 527 HG LEU 68 HG LEU 68 6.419 -1.539 -3.942 528 HD11 LEU 68 1HD1 LEU 68 6.349 -3.829 -1.980 529 HD12 LEU 68 2HD1 LEU 68 6.943 -3.920 -3.638 530 HD13 LEU 68 3HD1 LEU 68 5.241 -3.570 -3.331 531 HD21 LEU 68 1HD2 LEU 68 5.843 -0.160 -2.011 532 HD22 LEU 68 2HD2 LEU 68 5.735 -1.609 -1.013 533 HD23 LEU 68 3HD2 LEU 68 4.600 -1.367 -2.341 534 H VAL 69 H VAL 69 10.948 -1.100 -2.973 535 HA VAL 69 HA VAL 69 11.849 -0.246 -0.424 536 HB VAL 69 HB VAL 69 13.419 -1.010 -2.875 537 HG11 VAL 69 1HG1 VAL 69 15.228 -1.480 -1.238 538 HG12 VAL 69 2HG1 VAL 69 14.243 -0.693 0.001 539 HG13 VAL 69 3HG1 VAL 69 14.824 0.231 -1.383 540 HG21 VAL 69 1HG2 VAL 69 13.612 -3.190 -1.798 541 HG22 VAL 69 2HG2 VAL 69 11.925 -2.770 -2.097 542 HG23 VAL 69 3HG2 VAL 69 12.598 -2.622 -0.471 543 H HIS 70 H HIS 70 12.151 1.107 -3.688 544 HA HIS 70 HA HIS 70 13.906 3.205 -2.973 545 HB2 HIS 70 1HB HIS 70 12.076 2.754 -5.307 546 HB3 HIS 70 2HB HIS 70 12.907 4.295 -5.112 547 HD1 HIS 70 HD1 HIS 70 15.211 4.421 -6.032 548 HD2 HIS 70 HD2 HIS 70 13.975 0.498 -5.463 549 HE1 HIS 70 HE1 HIS 70 17.026 2.991 -7.017 550 HE2 HIS 70 HE2 HIS 70 16.151 0.633 -6.839 551 H GLN 71 H GLN 71 10.487 2.837 -2.664 552 HA GLN 71 HA GLN 71 10.077 5.669 -2.106 553 HB2 GLN 71 1HB GLN 71 8.426 4.157 -3.359 554 HB3 GLN 71 2HB GLN 71 8.052 3.469 -1.782 555 HG2 GLN 71 1HG GLN 71 6.435 5.170 -2.382 556 HG3 GLN 71 2HG GLN 71 7.361 5.636 -0.961 557 HE21 GLN 71 1HE2 GLN 71 8.749 7.355 -1.063 558 HE22 GLN 71 2HE2 GLN 71 8.759 8.474 -2.375 559 H LEU 72 H LEU 72 9.531 2.601 -0.388 560 HA LEU 72 HA LEU 72 8.821 3.789 2.045 561 HB2 LEU 72 1HB LEU 72 9.796 1.022 1.403 562 HB3 LEU 72 2HB LEU 72 9.312 1.501 3.016 563 HG LEU 72 HG LEU 72 7.524 1.594 0.587 564 HD11 LEU 72 1HD1 LEU 72 8.096 -0.705 1.190 565 HD12 LEU 72 2HD1 LEU 72 6.413 -0.349 1.586 566 HD13 LEU 72 3HD1 LEU 72 7.632 -0.390 2.863 567 HD21 LEU 72 1HD2 LEU 72 7.039 2.103 3.514 568 HD22 LEU 72 2HD2 LEU 72 5.749 1.796 2.352 569 HD23 LEU 72 3HD2 LEU 72 6.785 3.207 2.159 570 H ALA 73 H ALA 73 11.942 2.489 0.964 571 HA ALA 73 HA ALA 73 13.240 2.879 3.469 572 HB1 ALA 73 1HB ALA 73 14.496 2.507 0.766 573 HB2 ALA 73 2HB ALA 73 13.905 1.199 1.792 574 HB3 ALA 73 3HB ALA 73 15.240 2.217 2.341 575 H HIS 74 H HIS 74 11.959 5.256 2.579 576 HA HIS 74 HA HIS 74 13.748 7.134 1.445 577 HB2 HIS 74 1HB HIS 74 11.240 7.348 1.541 578 HB3 HIS 74 2HB HIS 74 11.398 7.698 3.257 579 HD1 HIS 74 HD1 HIS 74 11.628 9.227 -0.082 580 HD2 HIS 74 HD2 HIS 74 12.630 10.237 3.824 581 HE1 HIS 74 HE1 HIS 74 11.977 11.715 -0.095 582 HE2 HIS 74 HE2 HIS 74 12.800 12.258 2.218 583 H GLY 75 H GLY 75 15.710 7.018 2.518 584 HA2 GLY 75 1HA GLY 75 17.201 7.996 4.011 585 HA3 GLY 75 2HA GLY 75 15.840 8.526 4.989 586 H ARG 76 H ARG 76 16.212 5.205 3.956 587 HA ARG 76 HA ARG 76 17.304 4.416 6.533 588 HB2 ARG 76 1HB ARG 76 14.490 4.027 5.756 589 HB3 ARG 76 2HB ARG 76 15.288 2.593 6.392 590 HG2 ARG 76 1HG ARG 76 15.980 3.972 8.364 591 HG3 ARG 76 2HG ARG 76 14.937 5.254 7.753 592 HD2 ARG 76 1HD ARG 76 13.013 3.828 7.926 593 HD3 ARG 76 2HD ARG 76 14.018 2.461 8.396 594 HE ARG 76 HE ARG 76 14.379 4.629 10.182 595 HH11 ARG 76 1HH1 ARG 76 12.099 2.112 9.347 596 HH12 ARG 76 2HH1 ARG 76 11.393 2.047 10.928 597 HH21 ARG 76 1HH2 ARG 76 13.454 4.554 12.264 598 HH22 ARG 76 2HH2 ARG 76 12.159 3.442 12.590 599 H ASP 77 H ASP 77 17.663 2.026 6.627 600 HA ASP 77 HA ASP 77 19.230 1.184 4.482 601 HB2 ASP 77 1HB ASP 77 18.009 -0.441 6.716 602 HB3 ASP 77 2HB ASP 77 19.241 -1.034 5.609 603 H ALA 78 H ALA 78 18.421 0.924 2.549 604 HA ALA 78 HA ALA 78 15.884 -0.010 1.844 605 HB1 ALA 78 1HB ALA 78 16.847 -0.321 -0.382 606 HB2 ALA 78 2HB ALA 78 18.462 -0.133 0.298 607 HB3 ALA 78 3HB ALA 78 17.329 1.216 0.331 608 H GLU 79 H GLU 79 18.835 -1.655 2.618 609 HA GLU 79 HA GLU 79 18.359 -4.192 1.574 610 HB2 GLU 79 1HB GLU 79 19.867 -3.340 4.042 611 HB3 GLU 79 2HB GLU 79 19.887 -4.980 3.408 612 HG2 GLU 79 1HG GLU 79 20.832 -4.165 1.318 613 HG3 GLU 79 2HG GLU 79 20.814 -2.520 1.944 614 H GLU 80 H GLU 80 17.516 -2.880 4.771 615 HA GLU 80 HA GLU 80 16.223 -5.229 5.693 616 HB2 GLU 80 1HB GLU 80 16.073 -2.346 6.538 617 HB3 GLU 80 2HB GLU 80 15.155 -3.615 7.339 618 HG2 GLU 80 1HG GLU 80 17.346 -4.771 7.749 619 HG3 GLU 80 2HG GLU 80 18.129 -3.300 7.186 620 H VAL 81 H VAL 81 15.054 -2.201 4.320 621 HA VAL 81 HA VAL 81 12.331 -2.611 4.490 622 HB VAL 81 HB VAL 81 13.885 -1.117 2.384 623 HG11 VAL 81 1HG1 VAL 81 10.969 -0.942 3.124 624 HG12 VAL 81 2HG1 VAL 81 11.629 -1.523 1.595 625 HG13 VAL 81 3HG1 VAL 81 11.818 0.174 2.051 626 HG21 VAL 81 1HG2 VAL 81 13.216 0.829 3.828 627 HG22 VAL 81 2HG2 VAL 81 14.415 -0.264 4.508 628 HG23 VAL 81 3HG2 VAL 81 12.737 -0.353 5.047 629 H ARG 82 H ARG 82 14.518 -3.479 1.815 630 HA ARG 82 HA ARG 82 12.711 -4.589 0.046 631 HB2 ARG 82 1HB ARG 82 15.126 -4.201 -0.362 632 HB3 ARG 82 2HB ARG 82 15.491 -5.600 0.637 633 HG2 ARG 82 1HG ARG 82 14.189 -7.001 -0.918 634 HG3 ARG 82 2HG ARG 82 13.968 -5.586 -1.948 635 HD2 ARG 82 1HD ARG 82 16.418 -5.375 -2.116 636 HD3 ARG 82 2HD ARG 82 16.587 -6.856 -1.177 637 HE ARG 82 HE ARG 82 14.937 -7.260 -3.459 638 HH11 ARG 82 1HH1 ARG 82 18.278 -6.924 -2.468 639 HH12 ARG 82 2HH1 ARG 82 18.899 -7.853 -3.792 640 HH21 ARG 82 1HH2 ARG 82 15.746 -8.480 -5.208 641 HH22 ARG 82 2HH2 ARG 82 17.457 -8.744 -5.354 642 H THR 83 H THR 83 14.355 -6.131 2.776 643 HA THR 83 HA THR 83 13.392 -8.736 2.265 644 HB THR 83 HB THR 83 14.553 -7.413 4.705 645 HG1 THR 83 HG1 THR 83 16.384 -8.339 4.046 646 HG21 THR 83 1HG2 THR 83 14.762 -9.651 5.707 647 HG22 THR 83 2HG2 THR 83 13.805 -10.321 4.384 648 HG23 THR 83 3HG2 THR 83 13.076 -9.172 5.508 649 H GLU 84 H GLU 84 12.413 -6.295 4.682 650 HA GLU 84 HA GLU 84 10.284 -7.724 5.771 651 HB2 GLU 84 1HB GLU 84 10.589 -4.723 5.589 652 HB3 GLU 84 2HB GLU 84 9.549 -5.598 6.704 653 HG2 GLU 84 1HG GLU 84 11.576 -6.700 7.623 654 HG3 GLU 84 2HG GLU 84 12.552 -5.636 6.620 655 H VAL 85 H VAL 85 10.361 -5.596 2.934 656 HA VAL 85 HA VAL 85 7.590 -5.583 2.416 657 HB VAL 85 HB VAL 85 9.993 -5.290 0.620 658 HG11 VAL 85 1HG1 VAL 85 8.463 -4.638 -1.189 659 HG12 VAL 85 2HG1 VAL 85 7.092 -5.116 -0.185 660 HG13 VAL 85 3HG1 VAL 85 8.252 -6.328 -0.726 661 HG21 VAL 85 1HG2 VAL 85 9.190 -2.980 0.455 662 HG22 VAL 85 2HG2 VAL 85 9.520 -3.455 2.122 663 HG23 VAL 85 3HG2 VAL 85 7.855 -3.378 1.540 664 H LEU 86 H LEU 86 10.172 -7.715 1.192 665 HA LEU 86 HA LEU 86 8.636 -9.339 -0.445 666 HB2 LEU 86 1HB LEU 86 11.150 -9.904 1.117 667 HB3 LEU 86 2HB LEU 86 10.438 -11.063 -0.000 668 HG LEU 86 HG LEU 86 11.226 -8.291 -0.847 669 HD11 LEU 86 1HD1 LEU 86 13.305 -9.233 -1.661 670 HD12 LEU 86 2HD1 LEU 86 12.870 -10.815 -1.009 671 HD13 LEU 86 3HD1 LEU 86 13.177 -9.464 0.082 672 HD21 LEU 86 1HD2 LEU 86 10.678 -10.863 -2.315 673 HD22 LEU 86 2HD2 LEU 86 11.284 -9.385 -3.063 674 HD23 LEU 86 3HD2 LEU 86 9.685 -9.405 -2.321 675 H LYS 87 H LYS 87 9.077 -9.438 3.026 676 HA LYS 87 HA LYS 87 7.949 -12.042 3.396 677 HB2 LYS 87 1HB LYS 87 8.439 -9.753 5.302 678 HB3 LYS 87 2HB LYS 87 7.784 -11.306 5.807 679 HG2 LYS 87 1HG LYS 87 9.795 -12.427 5.035 680 HG3 LYS 87 2HG LYS 87 10.458 -10.879 4.487 681 HD2 LYS 87 1HD LYS 87 10.465 -10.059 6.770 682 HD3 LYS 87 2HD LYS 87 9.729 -11.559 7.335 683 HE2 LYS 87 1HE LYS 87 12.436 -11.282 6.036 684 HE3 LYS 87 2HE LYS 87 12.132 -11.549 7.751 685 HZ1 LYS 87 1HZ LYS 87 11.052 -13.664 7.137 686 HZ2 LYS 87 2HZ LYS 87 12.687 -13.617 6.720 687 HZ3 LYS 87 3HZ LYS 87 11.508 -13.416 5.526 688 H CYS 88 H CYS 88 6.617 -9.126 2.529 689 HA CYS 88 HA CYS 88 3.980 -9.899 3.566 690 HB2 CYS 88 1HB CYS 88 5.203 -7.247 2.917 691 HB3 CYS 88 2HB CYS 88 3.440 -7.437 2.840 692 H VAL 89 H VAL 89 5.910 -9.732 0.797 693 HA VAL 89 HA VAL 89 3.826 -9.429 -1.143 694 HB VAL 89 HB VAL 89 6.623 -10.530 -1.437 695 HG11 VAL 89 1HG1 VAL 89 6.271 -10.105 -3.853 696 HG12 VAL 89 2HG1 VAL 89 4.577 -9.751 -3.504 697 HG13 VAL 89 3HG1 VAL 89 5.222 -11.365 -3.204 698 HG21 VAL 89 1HG2 VAL 89 5.497 -7.799 -2.051 699 HG22 VAL 89 2HG2 VAL 89 7.126 -8.345 -2.453 700 HG23 VAL 89 3HG2 VAL 89 6.639 -8.199 -0.766 701 H ASP 90 H ASP 90 2.268 -10.894 -1.179 702 HA ASP 90 HA ASP 90 3.021 -13.730 -1.123 703 HB2 ASP 90 1HB ASP 90 0.666 -12.360 0.141 704 HB3 ASP 90 2HB ASP 90 0.619 -14.081 -0.242 705 H LYS 91 H LYS 91 1.129 -15.081 -2.017 706 HA LYS 91 HA LYS 91 0.607 -14.177 -4.724 707 HB2 LYS 91 1HB LYS 91 -0.315 -16.762 -3.481 708 HB3 LYS 91 2HB LYS 91 -0.021 -16.402 -5.179 709 HG2 LYS 91 1HG LYS 91 2.367 -16.207 -4.723 710 HG3 LYS 91 2HG LYS 91 2.066 -16.623 -3.039 711 HD2 LYS 91 1HD LYS 91 1.346 -18.392 -5.369 712 HD3 LYS 91 2HD LYS 91 2.849 -18.528 -4.457 713 HE2 LYS 91 1HE LYS 91 1.525 -18.903 -2.403 714 HE3 LYS 91 2HE LYS 91 0.053 -18.852 -3.371 715 HZ1 LYS 91 1HZ LYS 91 0.859 -20.768 -4.616 716 HZ2 LYS 91 2HZ LYS 91 0.741 -21.122 -2.968 717 HZ3 LYS 91 3HZ LYS 91 2.256 -20.827 -3.663 718 H ASN 92 H ASN 92 -1.483 -14.242 -5.682 719 HA ASN 92 HA ASN 92 -3.530 -13.097 -4.007 720 HB2 ASN 92 1HB ASN 92 -3.020 -12.446 -6.426 721 HB3 ASN 92 2HB ASN 92 -3.809 -13.947 -6.887 722 HD21 ASN 92 1HD2 ASN 92 -4.628 -11.357 -7.643 723 HD22 ASN 92 2HD2 ASN 92 -6.198 -11.078 -6.978 724 H THR 93 H THR 93 -3.985 -14.847 -2.570 725 HA THR 93 HA THR 93 -4.811 -17.390 -3.670 726 HB THR 93 HB THR 93 -5.148 -18.061 -1.315 727 HG1 THR 93 HG1 THR 93 -5.140 -16.621 0.253 728 HG21 THR 93 1HG2 THR 93 -2.788 -17.893 -0.638 729 HG22 THR 93 2HG2 THR 93 -2.525 -16.716 -1.926 730 HG23 THR 93 3HG2 THR 93 -2.982 -18.371 -2.321 731 H ASP 94 H ASP 94 -6.353 -14.493 -2.567 732 HA ASP 94 HA ASP 94 -8.914 -15.811 -2.191 733 HB2 ASP 94 1HB ASP 94 -9.767 -13.666 -1.522 734 HB3 ASP 94 2HB ASP 94 -8.193 -13.893 -0.751 735 H ASN 95 H ASN 95 -7.144 -14.547 -4.720 736 HA ASN 95 HA ASN 95 -7.502 -14.468 -6.936 737 HB2 ASN 95 1HB ASN 95 -10.181 -15.668 -6.245 738 HB3 ASN 95 2HB ASN 95 -9.545 -15.505 -7.871 739 HD21 ASN 95 1HD2 ASN 95 -10.306 -17.862 -6.326 740 HD22 ASN 95 2HD2 ASN 95 -8.903 -18.887 -6.306 741 H ASN 96 H ASN 96 -8.417 -12.270 -5.057 742 HA ASN 96 HA ASN 96 -9.817 -10.794 -7.180 743 HB2 ASN 96 1HB ASN 96 -11.461 -11.187 -5.472 744 HB3 ASN 96 2HB ASN 96 -10.361 -10.678 -4.201 745 HD21 ASN 96 1HD2 ASN 96 -13.063 -9.793 -5.005 746 HD22 ASN 96 2HD2 ASN 96 -12.944 -8.085 -5.239 747 H ALA 97 H ALA 97 -8.704 -9.094 -7.865 748 HA ALA 97 HA ALA 97 -6.061 -8.708 -6.960 749 HB1 ALA 97 1HB ALA 97 -6.757 -8.425 -9.292 750 HB2 ALA 97 2HB ALA 97 -5.909 -7.007 -8.676 751 HB3 ALA 97 3HB ALA 97 -7.663 -6.983 -8.836 752 H CYS 98 H CYS 98 -9.037 -6.961 -6.284 753 HA CYS 98 HA CYS 98 -7.838 -4.615 -5.224 754 HB2 CYS 98 1HB CYS 98 -10.487 -5.840 -4.421 755 HB3 CYS 98 2HB CYS 98 -10.001 -4.160 -4.208 756 H HIS 99 H HIS 99 -8.641 -7.759 -3.875 757 HA HIS 99 HA HIS 99 -8.058 -7.005 -1.158 758 HB2 HIS 99 1HB HIS 99 -9.657 -8.829 -1.840 759 HB3 HIS 99 2HB HIS 99 -8.271 -9.784 -2.342 760 HD1 HIS 99 HD1 HIS 99 -10.527 -9.688 0.276 761 HD2 HIS 99 HD2 HIS 99 -6.378 -9.876 0.162 762 HE1 HIS 99 HE1 HIS 99 -9.835 -10.656 2.486 763 HE2 HIS 99 HE2 HIS 99 -7.317 -10.578 2.468 764 H TRP 100 H TRP 100 -6.350 -8.424 -3.851 765 HA TRP 100 HA TRP 100 -4.158 -9.508 -2.493 766 HB2 TRP 100 1HB TRP 100 -4.706 -9.959 -4.872 767 HB3 TRP 100 2HB TRP 100 -4.177 -8.328 -5.284 768 HD1 TRP 100 HD1 TRP 100 -1.935 -9.858 -2.738 769 HE1 TRP 100 HE1 TRP 100 0.232 -10.684 -3.841 770 HE3 TRP 100 HE3 TRP 100 -3.338 -9.527 -7.645 771 HZ2 TRP 100 HZ2 TRP 100 1.215 -11.149 -6.439 772 HZ3 TRP 100 HZ3 TRP 100 -1.727 -10.185 -9.378 773 HH2 TRP 100 HH2 TRP 100 0.501 -10.983 -8.792 774 H ALA 101 H ALA 101 -4.475 -6.330 -4.079 775 HA ALA 101 HA ALA 101 -1.961 -5.329 -3.315 776 HB1 ALA 101 1HB ALA 101 -3.308 -4.315 -5.075 777 HB2 ALA 101 2HB ALA 101 -2.896 -3.122 -3.840 778 HB3 ALA 101 3HB ALA 101 -4.511 -3.827 -3.885 779 H PHE 102 H PHE 102 -5.103 -5.262 -1.758 780 HA PHE 102 HA PHE 102 -4.400 -3.550 0.362 781 HB2 PHE 102 1HB PHE 102 -6.706 -3.934 -0.280 782 HB3 PHE 102 2HB PHE 102 -6.582 -5.628 0.188 783 HD1 PHE 102 HD1 PHE 102 -6.282 -2.185 1.543 784 HD2 PHE 102 HD2 PHE 102 -7.183 -6.262 2.348 785 HE1 PHE 102 HE1 PHE 102 -7.027 -1.568 3.805 786 HE2 PHE 102 HE2 PHE 102 -7.929 -5.657 4.606 787 HZ PHE 102 HZ PHE 102 -7.851 -3.306 5.343 788 H ARG 103 H ARG 103 -4.075 -6.977 -0.167 789 HA ARG 103 HA ARG 103 -3.646 -7.796 2.509 790 HB2 ARG 103 1HB ARG 103 -4.220 -9.335 0.638 791 HB3 ARG 103 2HB ARG 103 -2.619 -9.056 -0.031 792 HG2 ARG 103 1HG ARG 103 -1.585 -10.030 1.912 793 HG3 ARG 103 2HG ARG 103 -3.159 -10.231 2.674 794 HD2 ARG 103 1HD ARG 103 -3.834 -11.797 0.950 795 HD3 ARG 103 2HD ARG 103 -2.319 -11.543 0.085 796 HE ARG 103 HE ARG 103 -1.869 -12.420 2.754 797 HH11 ARG 103 1HH1 ARG 103 -2.791 -13.564 -0.436 798 HH12 ARG 103 2HH1 ARG 103 -2.141 -15.153 -0.178 799 HH21 ARG 103 1HH2 ARG 103 -1.033 -14.521 3.081 800 HH22 ARG 103 2HH2 ARG 103 -1.164 -15.701 1.817 801 H GLY 104 H GLY 104 -1.457 -6.861 -0.113 802 HA2 GLY 104 1HA GLY 104 0.970 -7.284 1.282 803 HA3 GLY 104 2HA GLY 104 0.748 -6.202 -0.098 804 H PHE 105 H PHE 105 -1.059 -4.404 0.913 805 HA PHE 105 HA PHE 105 0.624 -2.650 2.314 806 HB2 PHE 105 1HB PHE 105 -1.008 -1.713 0.879 807 HB3 PHE 105 2HB PHE 105 -2.310 -2.583 1.674 808 HD1 PHE 105 HD1 PHE 105 -3.748 -1.070 2.676 809 HD2 PHE 105 HD2 PHE 105 0.453 -0.418 2.923 810 HE1 PHE 105 HE1 PHE 105 -4.140 0.895 4.094 811 HE2 PHE 105 HE2 PHE 105 0.062 1.553 4.342 812 HZ PHE 105 HZ PHE 105 -2.236 2.210 4.931 813 H LYS 106 H LYS 106 -2.099 -4.639 3.340 814 HA LYS 106 HA LYS 106 -2.294 -3.580 5.936 815 HB2 LYS 106 1HB LYS 106 -4.223 -4.625 5.279 816 HB3 LYS 106 2HB LYS 106 -3.393 -6.003 4.561 817 HG2 LYS 106 1HG LYS 106 -2.957 -6.888 6.788 818 HG3 LYS 106 2HG LYS 106 -3.694 -5.453 7.508 819 HD2 LYS 106 1HD LYS 106 -5.822 -6.026 6.407 820 HD3 LYS 106 2HD LYS 106 -5.076 -7.485 5.757 821 HE2 LYS 106 1HE LYS 106 -5.285 -6.865 8.697 822 HE3 LYS 106 2HE LYS 106 -6.465 -7.827 7.814 823 HZ1 LYS 106 1HZ LYS 106 -4.809 -9.179 8.983 824 HZ2 LYS 106 2HZ LYS 106 -3.581 -8.491 8.048 825 HZ3 LYS 106 3HZ LYS 106 -4.773 -9.435 7.314 826 H CYS 107 H CYS 107 -0.568 -6.364 4.627 827 HA CYS 107 HA CYS 107 0.313 -7.461 7.041 828 HB2 CYS 107 1HB CYS 107 0.498 -8.793 5.105 829 HB3 CYS 107 2HB CYS 107 1.398 -7.561 4.227 830 H PHE 108 H PHE 108 1.677 -4.953 4.973 831 HA PHE 108 HA PHE 108 4.180 -4.882 6.350 832 HB2 PHE 108 1HB PHE 108 3.760 -4.303 3.917 833 HB3 PHE 108 2HB PHE 108 3.106 -2.772 4.500 834 HD1 PHE 108 HD1 PHE 108 6.115 -4.843 4.178 835 HD2 PHE 108 HD2 PHE 108 4.566 -1.047 5.331 836 HE1 PHE 108 HE1 PHE 108 8.395 -3.932 4.235 837 HE2 PHE 108 HE2 PHE 108 6.848 -0.133 5.382 838 HZ PHE 108 HZ PHE 108 8.764 -1.576 4.829 839 H GLN 109 H GLN 109 1.392 -2.655 6.176 840 HA GLN 109 HA GLN 109 2.422 -0.724 7.931 841 HB2 GLN 109 1HB GLN 109 0.176 0.148 8.064 842 HB3 GLN 109 2HB GLN 109 0.521 -0.328 6.411 843 HG2 GLN 109 1HG GLN 109 -1.472 -1.319 6.491 844 HG3 GLN 109 2HG GLN 109 -0.652 -2.580 7.417 845 HE21 GLN 109 1HE2 GLN 109 -3.435 -1.756 7.512 846 HE22 GLN 109 2HE2 GLN 109 -3.744 -1.277 9.145 847 H LYS 110 H LYS 110 1.023 -3.801 8.524 848 HA LYS 110 HA LYS 110 -0.021 -3.463 11.100 849 HB2 LYS 110 1HB LYS 110 -0.398 -5.412 9.596 850 HB3 LYS 110 2HB LYS 110 1.255 -5.917 9.889 851 HG2 LYS 110 1HG LYS 110 0.764 -6.205 12.248 852 HG3 LYS 110 2HG LYS 110 -0.906 -5.716 11.961 853 HD2 LYS 110 1HD LYS 110 -1.123 -7.618 10.371 854 HD3 LYS 110 2HD LYS 110 0.502 -8.131 10.827 855 HE2 LYS 110 1HE LYS 110 -1.108 -9.419 12.068 856 HE3 LYS 110 2HE LYS 110 -0.263 -8.332 13.171 857 HZ1 LYS 110 1HZ LYS 110 -2.152 -6.833 13.086 858 HZ2 LYS 110 2HZ LYS 110 -2.636 -8.368 13.599 859 HZ3 LYS 110 3HZ LYS 110 -2.959 -7.867 12.017 860 H ASN 111 H ASN 111 3.244 -3.861 9.941 861 HA ASN 111 HA ASN 111 4.199 -3.943 12.733 862 HB2 ASN 111 1HB ASN 111 5.634 -5.045 10.312 863 HB3 ASN 111 2HB ASN 111 6.145 -5.168 11.989 864 HD21 ASN 111 1HD2 ASN 111 4.085 -6.431 9.529 865 HD22 ASN 111 2HD2 ASN 111 3.495 -7.783 10.425 866 H ASN 112 H ASN 112 4.337 -2.376 9.661 867 HA ASN 112 HA ASN 112 6.474 -0.610 10.631 868 HB2 ASN 112 1HB ASN 112 6.375 -2.065 7.989 869 HB3 ASN 112 2HB ASN 112 7.385 -0.640 8.264 870 HD21 ASN 112 1HD2 ASN 112 7.844 -3.627 7.797 871 HD22 ASN 112 2HD2 ASN 112 9.041 -4.025 8.987 872 H LEU 113 H LEU 113 4.260 0.545 10.968 873 HA LEU 113 HA LEU 113 3.232 1.731 8.535 874 HB2 LEU 113 1HB LEU 113 1.620 1.156 10.212 875 HB3 LEU 113 2HB LEU 113 2.453 2.114 11.419 876 HG LEU 113 HG LEU 113 1.891 4.151 10.092 877 HD11 LEU 113 1HD1 LEU 113 0.210 2.230 8.493 878 HD12 LEU 113 2HD1 LEU 113 1.662 3.048 7.919 879 HD13 LEU 113 3HD1 LEU 113 0.227 3.986 8.333 880 HD21 LEU 113 1HD2 LEU 113 0.518 3.402 11.995 881 HD22 LEU 113 2HD2 LEU 113 -0.475 2.460 10.884 882 HD23 LEU 113 3HD2 LEU 113 -0.439 4.220 10.757 883 H SER 114 H SER 114 5.338 2.567 11.174 884 HA SER 114 HA SER 114 5.398 5.362 10.860 885 HB2 SER 114 1HB SER 114 7.704 3.606 11.740 886 HB3 SER 114 2HB SER 114 7.440 5.303 12.139 887 HG SER 114 HG SER 114 5.736 4.747 13.424 888 H LEU 115 H LEU 115 7.197 2.774 9.267 889 HA LEU 115 HA LEU 115 8.979 4.415 7.824 890 HB2 LEU 115 1HB LEU 115 9.246 1.979 8.176 891 HB3 LEU 115 2HB LEU 115 7.904 1.701 7.086 892 HG LEU 115 HG LEU 115 9.220 2.771 5.264 893 HD11 LEU 115 1HD1 LEU 115 10.670 4.158 6.615 894 HD12 LEU 115 2HD1 LEU 115 11.633 3.063 5.622 895 HD13 LEU 115 3HD1 LEU 115 11.397 2.723 7.337 896 HD21 LEU 115 1HD2 LEU 115 10.710 0.889 4.909 897 HD22 LEU 115 2HD2 LEU 115 9.168 0.333 5.562 898 HD23 LEU 115 3HD2 LEU 115 10.582 0.442 6.610 899 H ILE 116 H ILE 116 5.714 3.315 7.241 900 HA ILE 116 HA ILE 116 5.536 4.056 4.520 901 HB ILE 116 HB ILE 116 3.362 3.747 6.601 902 HG12 ILE 116 1HG1 ILE 116 4.395 1.864 4.465 903 HG13 ILE 116 2HG1 ILE 116 4.639 1.699 6.211 904 HG21 ILE 116 1HG2 ILE 116 1.825 3.526 4.691 905 HG22 ILE 116 2HG2 ILE 116 3.145 3.951 3.604 906 HG23 ILE 116 3HG2 ILE 116 2.557 5.130 4.778 907 HD11 ILE 116 1HD1 ILE 116 2.214 1.430 6.486 908 HD12 ILE 116 2HD1 ILE 116 2.920 0.194 5.445 909 HD13 ILE 116 3HD1 ILE 116 2.022 1.536 4.738 910 H LYS 117 H LYS 117 4.814 5.722 7.541 911 HA LYS 117 HA LYS 117 3.756 8.074 6.414 912 HB2 LYS 117 1HB LYS 117 5.071 7.508 9.062 913 HB3 LYS 117 2HB LYS 117 4.426 9.092 8.650 914 HG2 LYS 117 1HG LYS 117 2.207 8.135 8.370 915 HG3 LYS 117 2HG LYS 117 2.832 6.527 8.719 916 HD2 LYS 117 1HD LYS 117 3.436 7.224 10.970 917 HD3 LYS 117 2HD LYS 117 2.905 8.870 10.628 918 HE2 LYS 117 1HE LYS 117 0.620 8.096 10.341 919 HE3 LYS 117 2HE LYS 117 1.134 6.426 10.583 920 HZ1 LYS 117 1HZ LYS 117 1.772 6.958 12.826 921 HZ2 LYS 117 2HZ LYS 117 0.164 7.417 12.585 922 HZ3 LYS 117 3HZ LYS 117 1.382 8.588 12.603 923 H ALA 118 H ALA 118 7.045 7.224 7.451 924 HA ALA 118 HA ALA 118 8.219 9.725 6.787 925 HB1 ALA 118 1HB ALA 118 10.339 8.554 7.045 926 HB2 ALA 118 2HB ALA 118 9.487 7.009 7.047 927 HB3 ALA 118 3HB ALA 118 9.228 8.161 8.356 928 H SER 119 H SER 119 7.581 6.809 5.010 929 HA SER 119 HA SER 119 9.203 7.072 2.797 930 HB2 SER 119 1HB SER 119 7.811 5.109 3.240 931 HB3 SER 119 2HB SER 119 6.357 6.052 2.926 932 HG SER 119 HG SER 119 8.428 5.609 1.039 933 H ILE 120 H ILE 120 6.004 8.504 3.348 934 HA ILE 120 HA ILE 120 6.118 9.862 0.778 935 HB ILE 120 HB ILE 120 3.843 10.693 1.394 936 HG12 ILE 120 1HG1 ILE 120 4.073 8.769 3.707 937 HG13 ILE 120 2HG1 ILE 120 4.226 10.516 3.872 938 HG21 ILE 120 1HG2 ILE 120 2.743 8.544 1.068 939 HG22 ILE 120 2HG2 ILE 120 4.239 7.714 1.494 940 HG23 ILE 120 3HG2 ILE 120 4.163 8.701 0.033 941 HD11 ILE 120 1HD1 ILE 120 1.799 9.053 2.868 942 HD12 ILE 120 2HD1 ILE 120 1.957 10.799 3.050 943 HD13 ILE 120 3HD1 ILE 120 2.000 9.757 4.473 944 H LYS 121 H LYS 121 7.333 10.479 3.755 945 HA LYS 121 HA LYS 121 6.767 13.334 3.780 946 HB2 LYS 121 1HB LYS 121 6.852 12.013 5.889 947 HB3 LYS 121 2HB LYS 121 8.548 11.683 5.582 948 HG2 LYS 121 1HG LYS 121 8.965 14.145 5.639 949 HG3 LYS 121 2HG LYS 121 7.286 14.358 6.141 950 HD2 LYS 121 1HD LYS 121 7.707 12.948 8.106 951 HD3 LYS 121 2HD LYS 121 9.388 12.765 7.608 952 HE2 LYS 121 1HE LYS 121 9.229 14.457 9.322 953 HE3 LYS 121 2HE LYS 121 9.680 15.204 7.791 954 HZ1 LYS 121 1HZ LYS 121 7.989 16.474 8.979 955 HZ2 LYS 121 2HZ LYS 121 6.937 15.154 8.926 956 HZ3 LYS 121 3HZ LYS 121 7.406 15.918 7.491 957 H LYS 122 H LYS 122 7.978 14.673 2.586 958 HA LYS 122 HA LYS 122 10.669 13.799 1.857 959 HB2 LYS 122 1HB LYS 122 10.595 15.604 0.152 960 HB3 LYS 122 2HB LYS 122 9.398 14.367 -0.079 961 HG2 LYS 122 1HG LYS 122 8.175 16.254 -0.511 962 HG3 LYS 122 2HG LYS 122 7.834 16.030 1.201 963 HD2 LYS 122 1HD LYS 122 9.383 17.729 1.814 964 HD3 LYS 122 2HD LYS 122 10.033 17.815 0.176 965 HE2 LYS 122 1HE LYS 122 8.552 19.694 0.612 966 HE3 LYS 122 2HE LYS 122 7.877 18.645 -0.631 967 HZ1 LYS 122 1HZ LYS 122 7.013 18.966 2.173 968 HZ2 LYS 122 2HZ LYS 122 6.604 17.586 1.288 969 HZ3 LYS 122 3HZ LYS 122 6.092 19.107 0.755 970 H ASP 123 H ASP 123 12.426 14.753 2.571 971 HA ASP 123 HA ASP 123 12.318 17.396 3.759 972 HB2 ASP 123 1HB ASP 123 11.817 15.883 5.636 973 HB3 ASP 123 2HB ASP 123 13.290 14.983 5.297 974 H21 ACD 201 H21 ACD 1 -4.647 4.843 1.288 975 H22 ACD 201 H22 ACD 1 -3.561 4.918 2.680 976 H31 ACD 201 H31 ACD 1 -2.136 6.563 1.442 977 H32 ACD 201 H32 ACD 1 -3.194 6.405 0.040 978 H41 ACD 201 H41 ACD 1 -2.678 3.933 -0.021 979 H42 ACD 201 H42 ACD 1 -1.249 4.948 -0.271 980 H5 ACD 201 H5 ACD 1 -1.854 3.258 2.216 981 H6 ACD 201 H6 ACD 1 0.395 3.868 2.766 982 H71 ACD 201 H71 ACD 1 0.789 5.074 0.141 983 H72 ACD 201 H72 ACD 1 -0.080 6.290 1.078 984 H8 ACD 201 H8 ACD 1 1.849 6.578 2.599 985 H9 ACD 201 H9 ACD 1 3.910 5.547 1.977 986 H101 ACD 201 H101 ACD 1 2.747 4.710 -0.566 987 H102 ACD 201 H102 ACD 1 2.296 3.455 0.590 988 H11 ACD 201 H11 ACD 1 5.267 4.280 0.362 989 H12 ACD 201 H12 ACD 1 5.542 1.938 0.064 990 H131 ACD 201 H131 ACD 1 2.550 2.011 -0.547 991 H132 ACD 201 H132 ACD 1 3.624 0.615 -0.691 992 H14 ACD 201 H14 ACD 1 2.555 1.677 2.026 993 H15 ACD 201 H15 ACD 1 2.545 -0.656 2.507 994 H161 ACD 201 H161 ACD 1 2.727 -1.364 -0.298 995 H162 ACD 201 H162 ACD 1 4.378 -0.923 0.149 996 H171 ACD 201 H171 ACD 1 4.469 -2.609 1.868 997 H172 ACD 201 H172 ACD 1 2.735 -2.908 1.757 998 H181 ACD 201 H181 ACD 1 4.753 -3.465 -0.454 999 H182 ACD 201 H182 ACD 1 3.019 -3.774 -0.554 1000 H191 ACD 201 H191 ACD 1 4.971 -5.063 1.406 1001 H192 ACD 201 H192 ACD 1 3.224 -5.309 1.444 1002 H201 ACD 201 H201 ACD 1 5.043 -5.992 -0.874 1003 H202 ACD 201 H202 ACD 1 3.330 -6.224 -0.851 1004 H203 ACD 201 H203 ACD 1 4.338 -7.123 0.229 Start of MODEL 8 1 H1 MET 1 1H MET 1 10.469 4.574 -17.369 2 H2 MET 1 2H MET 1 9.634 5.998 -17.010 3 H3 MET 1 3H MET 1 9.890 4.843 -15.803 4 HA MET 1 HA MET 1 12.236 5.213 -15.847 5 HB2 MET 1 1HB MET 1 13.222 6.937 -17.246 6 HB3 MET 1 2HB MET 1 12.384 5.769 -18.255 7 HG2 MET 1 1HG MET 1 10.520 7.278 -18.525 8 HG3 MET 1 2HG MET 1 11.262 8.433 -17.421 9 HE1 MET 1 1HE MET 1 13.133 6.288 -20.150 10 HE2 MET 1 2HE MET 1 13.027 7.356 -21.549 11 HE3 MET 1 3HE MET 1 11.567 6.622 -20.888 12 H GLU 2 H GLU 2 13.307 7.230 -14.957 13 HA GLU 2 HA GLU 2 13.381 8.856 -13.390 14 HB2 GLU 2 1HB GLU 2 10.925 9.792 -14.855 15 HB3 GLU 2 2HB GLU 2 11.792 10.743 -13.660 16 HG2 GLU 2 1HG GLU 2 13.786 10.678 -15.076 17 HG3 GLU 2 2HG GLU 2 12.886 9.750 -16.276 18 H PHE 3 H PHE 3 12.928 7.212 -11.764 19 HA PHE 3 HA PHE 3 10.311 6.866 -10.733 20 HB2 PHE 3 1HB PHE 3 12.036 5.232 -10.230 21 HB3 PHE 3 2HB PHE 3 12.992 6.458 -9.389 22 HD1 PHE 3 HD1 PHE 3 12.652 6.873 -7.110 23 HD2 PHE 3 HD2 PHE 3 9.779 4.633 -9.304 24 HE1 PHE 3 HE1 PHE 3 11.491 6.319 -5.013 25 HE2 PHE 3 HE2 PHE 3 8.609 4.078 -7.212 26 HZ PHE 3 HZ PHE 3 9.463 4.923 -5.064 27 H THR 4 H THR 4 9.158 8.471 -10.017 28 HA THR 4 HA THR 4 10.441 10.584 -8.413 29 HB THR 4 HB THR 4 7.638 10.990 -9.188 30 HG1 THR 4 HG1 THR 4 9.460 10.146 -11.056 31 HG21 THR 4 1HG2 THR 4 10.165 12.602 -9.489 32 HG22 THR 4 2HG2 THR 4 8.978 12.731 -8.190 33 HG23 THR 4 3HG2 THR 4 8.538 13.186 -9.835 34 H VAL 5 H VAL 5 10.206 10.448 -6.323 35 HA VAL 5 HA VAL 5 8.495 8.466 -5.150 36 HB VAL 5 HB VAL 5 9.573 8.802 -3.178 37 HG11 VAL 5 1HG1 VAL 5 11.263 8.497 -4.950 38 HG12 VAL 5 2HG1 VAL 5 11.866 9.256 -3.479 39 HG13 VAL 5 3HG1 VAL 5 11.552 10.237 -4.908 40 HG21 VAL 5 1HG2 VAL 5 9.830 11.747 -3.787 41 HG22 VAL 5 2HG2 VAL 5 10.407 10.956 -2.320 42 HG23 VAL 5 3HG2 VAL 5 8.682 10.995 -2.678 43 H SER 6 H SER 6 6.631 8.654 -4.123 44 HA SER 6 HA SER 6 5.108 11.061 -4.676 45 HB2 SER 6 1HB SER 6 3.193 9.599 -3.885 46 HB3 SER 6 2HB SER 6 4.063 9.001 -5.300 47 HG SER 6 HG SER 6 4.649 8.196 -2.645 48 H THR 7 H THR 7 5.410 12.635 -3.167 49 HA THR 7 HA THR 7 5.653 12.001 -0.367 50 HB THR 7 HB THR 7 5.627 14.440 -0.007 51 HG1 THR 7 HG1 THR 7 5.050 14.472 -2.805 52 HG21 THR 7 1HG2 THR 7 7.423 13.581 -2.279 53 HG22 THR 7 2HG2 THR 7 7.740 13.339 -0.561 54 HG23 THR 7 3HG2 THR 7 7.685 14.972 -1.226 55 H THR 8 H THR 8 4.153 13.501 1.103 56 HA THR 8 HA THR 8 1.647 12.361 1.188 57 HB THR 8 HB THR 8 2.438 15.068 2.266 58 HG1 THR 8 HG1 THR 8 3.480 12.788 2.856 59 HG21 THR 8 1HG2 THR 8 0.197 13.197 3.015 60 HG22 THR 8 2HG2 THR 8 0.041 14.797 2.282 61 HG23 THR 8 3HG2 THR 8 0.659 14.635 3.928 62 H GLU 9 H GLU 9 2.522 15.540 -0.132 63 HA GLU 9 HA GLU 9 -0.072 16.290 -0.839 64 HB2 GLU 9 1HB GLU 9 2.577 17.183 -1.971 65 HB3 GLU 9 2HB GLU 9 1.035 17.973 -2.285 66 HG2 GLU 9 1HG GLU 9 0.771 18.413 0.101 67 HG3 GLU 9 2HG GLU 9 2.317 17.634 0.414 68 H ASP 10 H ASP 10 2.433 14.601 -2.712 69 HA ASP 10 HA ASP 10 0.980 14.477 -5.143 70 HB2 ASP 10 1HB ASP 10 2.989 12.439 -4.151 71 HB3 ASP 10 2HB ASP 10 2.472 12.695 -5.814 72 H LEU 11 H LEU 11 1.117 12.434 -2.302 73 HA LEU 11 HA LEU 11 -0.379 10.279 -3.290 74 HB2 LEU 11 1HB LEU 11 0.973 10.026 -1.333 75 HB3 LEU 11 2HB LEU 11 0.060 11.271 -0.472 76 HG LEU 11 HG LEU 11 -1.917 9.774 -0.542 77 HD11 LEU 11 1HD1 LEU 11 -1.253 8.491 -2.530 78 HD12 LEU 11 2HD1 LEU 11 -1.656 7.459 -1.158 79 HD13 LEU 11 3HD1 LEU 11 0.033 7.736 -1.586 80 HD21 LEU 11 1HD2 LEU 11 -1.198 8.372 1.241 81 HD22 LEU 11 2HD2 LEU 11 -0.284 9.874 1.364 82 HD23 LEU 11 3HD2 LEU 11 0.475 8.429 0.693 83 H GLN 12 H GLN 12 -1.314 13.342 -1.881 84 HA GLN 12 HA GLN 12 -4.024 12.695 -1.358 85 HB2 GLN 12 1HB GLN 12 -2.674 15.343 -1.873 86 HB3 GLN 12 2HB GLN 12 -4.365 15.189 -1.429 87 HG2 GLN 12 1HG GLN 12 -3.756 14.215 0.693 88 HG3 GLN 12 2HG GLN 12 -2.053 14.241 0.243 89 HE21 GLN 12 1HE2 GLN 12 -4.324 16.796 -0.504 90 HE22 GLN 12 2HE2 GLN 12 -3.617 17.980 0.538 91 H ARG 13 H ARG 13 -2.287 13.671 -4.181 92 HA ARG 13 HA ARG 13 -4.447 14.534 -5.774 93 HB2 ARG 13 1HB ARG 13 -1.916 13.197 -6.733 94 HB3 ARG 13 2HB ARG 13 -2.957 14.265 -7.655 95 HG2 ARG 13 1HG ARG 13 -1.321 15.086 -5.261 96 HG3 ARG 13 2HG ARG 13 -0.857 15.324 -6.955 97 HD2 ARG 13 1HD ARG 13 -1.731 17.378 -6.293 98 HD3 ARG 13 2HD ARG 13 -3.040 16.614 -7.183 99 HE ARG 13 HE ARG 13 -4.200 16.286 -5.149 100 HH11 ARG 13 1HH1 ARG 13 -1.157 17.969 -4.707 101 HH12 ARG 13 2HH1 ARG 13 -1.626 18.692 -3.202 102 HH21 ARG 13 1HH2 ARG 13 -4.818 17.223 -3.160 103 HH22 ARG 13 2HH2 ARG 13 -3.709 18.258 -2.315 104 H TYR 14 H TYR 14 -2.707 11.424 -5.721 105 HA TYR 14 HA TYR 14 -4.440 10.110 -7.521 106 HB2 TYR 14 1HB TYR 14 -2.708 8.823 -5.402 107 HB3 TYR 14 2HB TYR 14 -3.331 8.068 -6.863 108 HD1 TYR 14 HD1 TYR 14 -0.429 9.236 -5.500 109 HD2 TYR 14 HD2 TYR 14 -2.749 9.657 -9.044 110 HE1 TYR 14 HE1 TYR 14 1.589 9.905 -6.738 111 HE2 TYR 14 HE2 TYR 14 -0.738 10.318 -10.292 112 HH TYR 14 HH TYR 14 1.526 11.368 -9.724 113 H ARG 15 H ARG 15 -4.419 10.362 -4.015 114 HA ARG 15 HA ARG 15 -6.242 8.289 -3.527 115 HB2 ARG 15 1HB ARG 15 -5.322 8.666 -1.543 116 HB3 ARG 15 2HB ARG 15 -4.816 10.280 -2.003 117 HG2 ARG 15 1HG ARG 15 -6.900 11.207 -1.254 118 HG3 ARG 15 2HG ARG 15 -7.587 9.593 -1.025 119 HD2 ARG 15 1HD ARG 15 -5.939 9.122 0.713 120 HD3 ARG 15 2HD ARG 15 -5.213 10.708 0.477 121 HE ARG 15 HE ARG 15 -7.695 11.400 1.096 122 HH11 ARG 15 1HH1 ARG 15 -5.648 8.944 2.535 123 HH12 ARG 15 2HH1 ARG 15 -6.272 9.185 4.136 124 HH21 ARG 15 1HH2 ARG 15 -8.545 11.687 3.200 125 HH22 ARG 15 2HH2 ARG 15 -7.939 10.724 4.505 126 H THR 16 H THR 16 -6.706 11.748 -4.044 127 HA THR 16 HA THR 16 -9.492 11.782 -3.527 128 HB THR 16 HB THR 16 -7.906 13.586 -5.359 129 HG1 THR 16 HG1 THR 16 -6.924 13.955 -3.480 130 HG21 THR 16 1HG2 THR 16 -10.326 13.803 -5.608 131 HG22 THR 16 2HG2 THR 16 -9.635 15.236 -4.850 132 HG23 THR 16 3HG2 THR 16 -10.487 14.044 -3.869 133 H GLU 17 H GLU 17 -7.575 11.344 -6.473 134 HA GLU 17 HA GLU 17 -9.677 11.209 -8.303 135 HB2 GLU 17 1HB GLU 17 -6.851 10.469 -8.261 136 HB3 GLU 17 2HB GLU 17 -7.804 9.454 -9.315 137 HG2 GLU 17 1HG GLU 17 -8.643 11.458 -10.465 138 HG3 GLU 17 2HG GLU 17 -7.625 12.461 -9.426 139 H CYS 18 H CYS 18 -8.076 8.579 -6.512 140 HA CYS 18 HA CYS 18 -9.649 6.510 -7.598 141 HB2 CYS 18 1HB CYS 18 -8.102 6.627 -5.008 142 HB3 CYS 18 2HB CYS 18 -8.832 5.163 -5.679 143 H VAL 19 H VAL 19 -10.082 8.572 -4.767 144 HA VAL 19 HA VAL 19 -12.267 7.237 -3.645 145 HB VAL 19 HB VAL 19 -11.279 10.056 -3.487 146 HG11 VAL 19 1HG1 VAL 19 -13.726 10.240 -3.585 147 HG12 VAL 19 2HG1 VAL 19 -13.088 10.671 -1.997 148 HG13 VAL 19 3HG1 VAL 19 -13.855 9.102 -2.243 149 HG21 VAL 19 1HG2 VAL 19 -11.175 9.464 -1.079 150 HG22 VAL 19 2HG2 VAL 19 -10.198 8.417 -2.108 151 HG23 VAL 19 3HG2 VAL 19 -11.752 7.847 -1.492 152 H SER 20 H SER 20 -12.131 9.893 -5.951 153 HA SER 20 HA SER 20 -14.907 10.175 -6.303 154 HB2 SER 20 1HB SER 20 -12.670 10.848 -8.228 155 HB3 SER 20 2HB SER 20 -14.306 11.510 -8.263 156 HG SER 20 HG SER 20 -12.216 11.983 -6.433 157 H SER 21 H SER 21 -12.537 8.116 -7.937 158 HA SER 21 HA SER 21 -14.305 7.426 -10.091 159 HB2 SER 21 1HB SER 21 -11.818 7.476 -10.285 160 HB3 SER 21 2HB SER 21 -11.744 6.071 -9.227 161 HG SER 21 HG SER 21 -11.887 5.017 -11.046 162 H LEU 22 H LEU 22 -13.119 5.726 -7.178 163 HA LEU 22 HA LEU 22 -14.648 3.376 -7.857 164 HB2 LEU 22 1HB LEU 22 -12.895 4.092 -5.519 165 HB3 LEU 22 2HB LEU 22 -13.745 2.548 -5.643 166 HG LEU 22 HG LEU 22 -11.789 3.530 -7.715 167 HD11 LEU 22 1HD1 LEU 22 -11.344 1.676 -5.380 168 HD12 LEU 22 2HD1 LEU 22 -10.636 3.277 -5.592 169 HD13 LEU 22 3HD1 LEU 22 -10.195 1.968 -6.687 170 HD21 LEU 22 1HD2 LEU 22 -13.438 1.859 -8.438 171 HD22 LEU 22 2HD2 LEU 22 -12.912 0.797 -7.130 172 HD23 LEU 22 3HD2 LEU 22 -11.795 1.220 -8.429 173 H ASN 23 H ASN 23 -15.737 6.152 -6.881 174 HA ASN 23 HA ASN 23 -17.513 6.954 -5.704 175 HB2 ASN 23 1HB ASN 23 -18.417 4.083 -5.934 176 HB3 ASN 23 2HB ASN 23 -19.435 5.427 -5.454 177 HD21 ASN 23 1HD2 ASN 23 -20.083 6.924 -6.979 178 HD22 ASN 23 2HD2 ASN 23 -19.930 6.636 -8.679 179 H ILE 24 H ILE 24 -15.290 6.316 -4.131 180 HA ILE 24 HA ILE 24 -15.958 4.776 -1.855 181 HB ILE 24 HB ILE 24 -13.929 7.007 -2.014 182 HG12 ILE 24 1HG1 ILE 24 -13.560 5.373 -3.825 183 HG13 ILE 24 2HG1 ILE 24 -12.291 5.268 -2.606 184 HG21 ILE 24 1HG2 ILE 24 -12.814 5.792 -0.211 185 HG22 ILE 24 2HG2 ILE 24 -14.110 4.595 -0.208 186 HG23 ILE 24 3HG2 ILE 24 -14.448 6.265 0.253 187 HD11 ILE 24 1HD1 ILE 24 -13.382 3.289 -1.663 188 HD12 ILE 24 2HD1 ILE 24 -12.965 3.070 -3.365 189 HD13 ILE 24 3HD1 ILE 24 -14.634 3.401 -2.903 190 HA PRO 25 HA PRO 25 -18.839 7.636 0.031 191 HB2 PRO 25 1HB PRO 25 -18.337 5.949 2.392 192 HB3 PRO 25 2HB PRO 25 -19.854 6.318 1.570 193 HG2 PRO 25 1HG PRO 25 -18.698 3.913 1.396 194 HG3 PRO 25 2HG PRO 25 -19.603 4.629 0.051 195 HD2 PRO 25 1HD PRO 25 -16.648 4.391 0.437 196 HD3 PRO 25 2HD PRO 25 -17.616 4.268 -1.055 197 H ALA 26 H ALA 26 -18.654 9.378 1.273 198 HA ALA 26 HA ALA 26 -16.164 10.453 1.903 199 HB1 ALA 26 1HB ALA 26 -18.832 11.194 3.088 200 HB2 ALA 26 2HB ALA 26 -18.217 11.752 1.533 201 HB3 ALA 26 3HB ALA 26 -17.392 12.210 3.024 202 H ASP 27 H ASP 27 -18.416 8.616 3.878 203 HA ASP 27 HA ASP 27 -17.350 8.971 6.410 204 HB2 ASP 27 1HB ASP 27 -18.556 6.510 5.146 205 HB3 ASP 27 2HB ASP 27 -18.131 6.602 6.850 206 H TYR 28 H TYR 28 -16.437 6.470 4.033 207 HA TYR 28 HA TYR 28 -14.321 5.396 5.482 208 HB2 TYR 28 1HB TYR 28 -14.988 5.471 2.557 209 HB3 TYR 28 2HB TYR 28 -13.491 4.722 3.112 210 HD1 TYR 28 HD1 TYR 28 -13.520 2.566 4.166 211 HD2 TYR 28 HD2 TYR 28 -17.171 4.559 3.275 212 HE1 TYR 28 HE1 TYR 28 -14.762 0.499 4.646 213 HE2 TYR 28 HE2 TYR 28 -18.420 2.498 3.752 214 HH TYR 28 HH TYR 28 -17.083 -0.135 5.348 215 H VAL 29 H VAL 29 -14.448 8.112 3.251 216 HA VAL 29 HA VAL 29 -11.719 8.561 2.899 217 HB VAL 29 HB VAL 29 -13.941 10.590 2.931 218 HG11 VAL 29 1HG1 VAL 29 -12.417 11.880 1.461 219 HG12 VAL 29 2HG1 VAL 29 -11.155 10.692 1.801 220 HG13 VAL 29 3HG1 VAL 29 -11.808 11.682 3.104 221 HG21 VAL 29 1HG2 VAL 29 -12.751 8.976 0.685 222 HG22 VAL 29 2HG2 VAL 29 -13.934 10.273 0.494 223 HG23 VAL 29 3HG2 VAL 29 -14.372 8.800 1.360 224 H GLU 30 H GLU 30 -13.940 9.790 5.411 225 HA GLU 30 HA GLU 30 -12.056 11.433 6.735 226 HB2 GLU 30 1HB GLU 30 -14.225 9.974 8.223 227 HB3 GLU 30 2HB GLU 30 -13.541 11.567 8.520 228 HG2 GLU 30 1HG GLU 30 -14.532 12.246 6.302 229 HG3 GLU 30 2HG GLU 30 -15.456 10.753 6.381 230 H LYS 31 H LYS 31 -12.818 8.009 7.043 231 HA LYS 31 HA LYS 31 -11.191 7.446 9.271 232 HB2 LYS 31 1HB LYS 31 -11.914 5.639 6.958 233 HB3 LYS 31 2HB LYS 31 -11.215 5.116 8.496 234 HG2 LYS 31 1HG LYS 31 -13.221 6.000 9.652 235 HG3 LYS 31 2HG LYS 31 -13.919 6.374 8.073 236 HD2 LYS 31 1HD LYS 31 -13.727 3.988 7.456 237 HD3 LYS 31 2HD LYS 31 -13.114 3.645 9.086 238 HE2 LYS 31 1HE LYS 31 -15.796 4.914 8.539 239 HE3 LYS 31 2HE LYS 31 -15.565 3.181 8.766 240 HZ1 LYS 31 1HZ LYS 31 -14.899 5.287 10.754 241 HZ2 LYS 31 2HZ LYS 31 -14.687 3.623 10.971 242 HZ3 LYS 31 3HZ LYS 31 -16.242 4.264 10.811 243 H PHE 32 H PHE 32 -10.528 7.248 5.787 244 HA PHE 32 HA PHE 32 -7.895 6.319 5.980 245 HB2 PHE 32 1HB PHE 32 -9.050 8.027 3.771 246 HB3 PHE 32 2HB PHE 32 -7.627 6.998 3.666 247 HD1 PHE 32 HD1 PHE 32 -10.267 7.033 2.001 248 HD2 PHE 32 HD2 PHE 32 -8.839 4.650 5.221 249 HE1 PHE 32 HE1 PHE 32 -11.679 5.166 1.244 250 HE2 PHE 32 HE2 PHE 32 -10.243 2.784 4.467 251 HZ PHE 32 HZ PHE 32 -11.664 3.036 2.475 252 H LYS 33 H LYS 33 -9.212 9.447 6.504 253 HA LYS 33 HA LYS 33 -6.798 10.906 6.031 254 HB2 LYS 33 1HB LYS 33 -9.024 11.960 5.864 255 HB3 LYS 33 2HB LYS 33 -9.267 11.700 7.586 256 HG2 LYS 33 1HG LYS 33 -7.255 13.129 7.999 257 HG3 LYS 33 2HG LYS 33 -7.244 13.500 6.269 258 HD2 LYS 33 1HD LYS 33 -9.566 14.018 8.126 259 HD3 LYS 33 2HD LYS 33 -8.374 15.225 7.649 260 HE2 LYS 33 1HE LYS 33 -10.167 13.719 5.748 261 HE3 LYS 33 2HE LYS 33 -10.475 15.347 6.346 262 HZ1 LYS 33 1HZ LYS 33 -9.468 15.455 4.189 263 HZ2 LYS 33 2HZ LYS 33 -8.171 14.490 4.678 264 HZ3 LYS 33 3HZ LYS 33 -8.363 16.038 5.326 265 H LYS 34 H LYS 34 -8.237 9.205 8.703 266 HA LYS 34 HA LYS 34 -6.147 10.213 10.502 267 HB2 LYS 34 1HB LYS 34 -8.800 8.881 11.031 268 HB3 LYS 34 2HB LYS 34 -7.584 9.061 12.287 269 HG2 LYS 34 1HG LYS 34 -8.861 11.312 10.745 270 HG3 LYS 34 2HG LYS 34 -9.299 10.804 12.377 271 HD2 LYS 34 1HD LYS 34 -6.937 11.279 13.063 272 HD3 LYS 34 2HD LYS 34 -6.675 11.971 11.462 273 HE2 LYS 34 1HE LYS 34 -8.660 12.917 13.528 274 HE3 LYS 34 2HE LYS 34 -7.162 13.722 13.069 275 HZ1 LYS 34 1HZ LYS 34 -9.048 14.751 11.998 276 HZ2 LYS 34 2HZ LYS 34 -9.515 13.282 11.310 277 HZ3 LYS 34 3HZ LYS 34 -8.065 14.016 10.834 278 H TRP 35 H TRP 35 -5.669 8.256 8.414 279 HA TRP 35 HA TRP 35 -4.733 6.237 7.997 280 HB2 TRP 35 1HB TRP 35 -3.709 6.809 10.771 281 HB3 TRP 35 2HB TRP 35 -3.146 5.437 9.810 282 HD1 TRP 35 HD1 TRP 35 -2.760 9.178 10.201 283 HE1 TRP 35 HE1 TRP 35 -0.916 10.014 8.607 284 HE3 TRP 35 HE3 TRP 35 -2.088 4.927 7.434 285 HZ2 TRP 35 HZ2 TRP 35 0.606 9.005 6.462 286 HZ3 TRP 35 HZ3 TRP 35 -0.422 4.947 5.628 287 HH2 TRP 35 HH2 TRP 35 0.901 6.938 5.149 288 H GLU 36 H GLU 36 -7.294 5.767 8.465 289 HA GLU 36 HA GLU 36 -7.236 3.260 9.989 290 HB2 GLU 36 1HB GLU 36 -9.435 5.318 9.916 291 HB3 GLU 36 2HB GLU 36 -9.650 3.685 10.537 292 HG2 GLU 36 1HG GLU 36 -7.997 4.098 12.250 293 HG3 GLU 36 2HG GLU 36 -7.680 5.694 11.582 294 H PHE 37 H PHE 37 -7.443 1.651 8.645 295 HA PHE 37 HA PHE 37 -9.124 1.993 6.245 296 HB2 PHE 37 1HB PHE 37 -6.682 0.213 6.485 297 HB3 PHE 37 2HB PHE 37 -7.599 0.550 5.024 298 HD1 PHE 37 HD1 PHE 37 -5.353 2.045 7.550 299 HD2 PHE 37 HD2 PHE 37 -7.104 2.441 3.687 300 HE1 PHE 37 HE1 PHE 37 -3.847 3.926 7.064 301 HE2 PHE 37 HE2 PHE 37 -5.603 4.325 3.200 302 HZ PHE 37 HZ PHE 37 -3.971 5.070 4.888 303 HA PRO 38 HA PRO 38 -11.178 -1.374 8.655 304 HB2 PRO 38 1HB PRO 38 -13.293 -0.582 6.727 305 HB3 PRO 38 2HB PRO 38 -13.396 -0.869 8.475 306 HG2 PRO 38 1HG PRO 38 -13.479 1.609 7.535 307 HG3 PRO 38 2HG PRO 38 -12.551 1.233 8.998 308 HD2 PRO 38 1HD PRO 38 -11.552 1.645 6.190 309 HD3 PRO 38 2HD PRO 38 -10.876 2.254 7.734 310 H GLU 39 H GLU 39 -11.355 -3.432 8.081 311 HA GLU 39 HA GLU 39 -10.428 -4.257 5.513 312 HB2 GLU 39 1HB GLU 39 -9.856 -5.471 7.558 313 HB3 GLU 39 2HB GLU 39 -11.548 -5.873 7.807 314 HG2 GLU 39 1HG GLU 39 -11.577 -7.302 5.927 315 HG3 GLU 39 2HG GLU 39 -10.011 -6.712 5.369 316 H ASP 40 H ASP 40 -11.843 -3.605 3.980 317 HA ASP 40 HA ASP 40 -14.252 -5.171 3.648 318 HB2 ASP 40 1HB ASP 40 -15.047 -3.227 4.997 319 HB3 ASP 40 2HB ASP 40 -14.458 -2.146 3.738 320 H ASP 41 H ASP 41 -15.029 -5.129 1.463 321 HA ASP 41 HA ASP 41 -13.040 -5.188 -0.451 322 HB2 ASP 41 1HB ASP 41 -15.287 -6.233 -0.685 323 HB3 ASP 41 2HB ASP 41 -15.960 -4.641 -1.021 324 H THR 42 H THR 42 -15.313 -2.540 0.188 325 HA THR 42 HA THR 42 -14.661 -0.789 -1.841 326 HB THR 42 HB THR 42 -15.387 -0.174 1.025 327 HG1 THR 42 HG1 THR 42 -16.858 -0.612 -1.364 328 HG21 THR 42 1HG2 THR 42 -14.397 1.791 0.035 329 HG22 THR 42 2HG2 THR 42 -16.145 2.005 0.128 330 HG23 THR 42 3HG2 THR 42 -15.386 1.599 -1.411 331 H THR 43 H THR 43 -13.198 -0.874 1.408 332 HA THR 43 HA THR 43 -11.242 1.079 0.988 333 HB THR 43 HB THR 43 -11.032 -1.323 2.807 334 HG1 THR 43 HG1 THR 43 -11.955 0.359 4.330 335 HG21 THR 43 1HG2 THR 43 -9.781 1.422 2.865 336 HG22 THR 43 2HG2 THR 43 -8.957 -0.131 2.727 337 HG23 THR 43 3HG2 THR 43 -9.759 0.313 4.237 338 H MET 44 H MET 44 -11.327 -2.322 0.207 339 HA MET 44 HA MET 44 -8.532 -2.674 -0.083 340 HB2 MET 44 1HB MET 44 -10.821 -4.297 -1.186 341 HB3 MET 44 2HB MET 44 -9.139 -4.812 -1.164 342 HG2 MET 44 1HG MET 44 -9.136 -4.771 1.255 343 HG3 MET 44 2HG MET 44 -10.786 -4.161 1.266 344 HE1 MET 44 1HE MET 44 -11.258 -7.738 2.664 345 HE2 MET 44 2HE MET 44 -11.517 -6.009 2.916 346 HE3 MET 44 3HE MET 44 -9.881 -6.672 2.950 347 H CYS 45 H CYS 45 -11.146 -2.290 -2.480 348 HA CYS 45 HA CYS 45 -9.417 -2.247 -4.713 349 HB2 CYS 45 1HB CYS 45 -12.197 -1.103 -4.387 350 HB3 CYS 45 2HB CYS 45 -11.337 -1.183 -5.916 351 H TYR 46 H TYR 46 -10.441 0.220 -2.462 352 HA TYR 46 HA TYR 46 -9.614 2.479 -3.880 353 HB2 TYR 46 1HB TYR 46 -10.893 2.885 -1.957 354 HB3 TYR 46 2HB TYR 46 -9.875 1.862 -0.944 355 HD1 TYR 46 HD1 TYR 46 -9.615 4.963 -3.032 356 HD2 TYR 46 HD2 TYR 46 -8.432 2.918 0.511 357 HE1 TYR 46 HE1 TYR 46 -8.374 6.955 -2.300 358 HE2 TYR 46 HE2 TYR 46 -7.190 4.906 1.249 359 HH TYR 46 HH TYR 46 -6.370 6.925 0.598 360 H ILE 47 H ILE 47 -7.867 0.492 -1.511 361 HA ILE 47 HA ILE 47 -5.406 1.793 -1.681 362 HB ILE 47 HB ILE 47 -6.033 -1.081 -1.034 363 HG12 ILE 47 1HG1 ILE 47 -6.991 0.516 0.537 364 HG13 ILE 47 2HG1 ILE 47 -5.657 -0.339 1.306 365 HG21 ILE 47 1HG2 ILE 47 -3.776 -1.184 -0.022 366 HG22 ILE 47 2HG2 ILE 47 -3.420 0.395 -0.723 367 HG23 ILE 47 3HG2 ILE 47 -3.738 -0.986 -1.775 368 HD11 ILE 47 1HD1 ILE 47 -4.219 1.653 0.757 369 HD12 ILE 47 2HD1 ILE 47 -5.491 1.926 1.944 370 HD13 ILE 47 3HD1 ILE 47 -5.701 2.489 0.286 371 H LYS 48 H LYS 48 -6.799 -0.781 -3.631 372 HA LYS 48 HA LYS 48 -4.540 -1.514 -5.094 373 HB2 LYS 48 1HB LYS 48 -6.706 -2.736 -5.107 374 HB3 LYS 48 2HB LYS 48 -7.399 -1.439 -6.067 375 HG2 LYS 48 1HG LYS 48 -5.684 -1.908 -7.816 376 HG3 LYS 48 2HG LYS 48 -5.180 -3.305 -6.866 377 HD2 LYS 48 1HD LYS 48 -6.703 -3.970 -8.646 378 HD3 LYS 48 2HD LYS 48 -7.429 -4.252 -7.064 379 HE2 LYS 48 1HE LYS 48 -8.759 -2.244 -7.276 380 HE3 LYS 48 2HE LYS 48 -7.967 -1.844 -8.799 381 HZ1 LYS 48 1HZ LYS 48 -9.648 -4.247 -8.310 382 HZ2 LYS 48 2HZ LYS 48 -8.913 -3.833 -9.775 383 HZ3 LYS 48 3HZ LYS 48 -10.138 -2.859 -9.143 384 H CYS 49 H CYS 49 -7.103 0.819 -5.929 385 HA CYS 49 HA CYS 49 -6.026 1.694 -8.338 386 HB2 CYS 49 1HB CYS 49 -8.263 2.251 -7.846 387 HB3 CYS 49 2HB CYS 49 -7.830 3.079 -6.352 388 H VAL 50 H VAL 50 -5.547 2.975 -5.062 389 HA VAL 50 HA VAL 50 -4.040 5.214 -5.780 390 HB VAL 50 HB VAL 50 -4.090 3.647 -3.204 391 HG11 VAL 50 1HG1 VAL 50 -3.183 5.694 -2.173 392 HG12 VAL 50 2HG1 VAL 50 -2.952 6.378 -3.782 393 HG13 VAL 50 3HG1 VAL 50 -2.051 4.940 -3.296 394 HG21 VAL 50 1HG2 VAL 50 -5.509 5.577 -2.479 395 HG22 VAL 50 2HG2 VAL 50 -6.235 4.518 -3.688 396 HG23 VAL 50 3HG2 VAL 50 -5.560 6.072 -4.171 397 H PHE 51 H PHE 51 -3.046 2.001 -4.669 398 HA PHE 51 HA PHE 51 -0.285 2.486 -4.731 399 HB2 PHE 51 1HB PHE 51 -2.043 0.098 -4.533 400 HB3 PHE 51 2HB PHE 51 -0.362 -0.178 -4.976 401 HD1 PHE 51 HD1 PHE 51 0.189 -1.385 -2.991 402 HD2 PHE 51 HD2 PHE 51 -1.437 2.544 -2.745 403 HE1 PHE 51 HE1 PHE 51 0.795 -1.284 -0.609 404 HE2 PHE 51 HE2 PHE 51 -0.828 2.648 -0.366 405 HZ PHE 51 HZ PHE 51 0.287 0.735 0.705 406 H ASN 52 H ASN 52 -2.575 1.663 -7.170 407 HA ASN 52 HA ASN 52 -0.675 0.647 -9.072 408 HB2 ASN 52 1HB ASN 52 -3.051 -0.060 -9.065 409 HB3 ASN 52 2HB ASN 52 -3.528 1.589 -9.490 410 HD21 ASN 52 1HD2 ASN 52 -0.713 -0.102 -10.761 411 HD22 ASN 52 2HD2 ASN 52 -1.290 -0.200 -12.389 412 H LYS 53 H LYS 53 -2.360 3.706 -8.517 413 HA LYS 53 HA LYS 53 -1.300 4.932 -10.878 414 HB2 LYS 53 1HB LYS 53 -2.896 5.902 -8.538 415 HB3 LYS 53 2HB LYS 53 -2.183 7.061 -9.654 416 HG2 LYS 53 1HG LYS 53 -3.401 5.939 -11.506 417 HG3 LYS 53 2HG LYS 53 -4.152 4.874 -10.320 418 HD2 LYS 53 1HD LYS 53 -5.204 6.785 -9.242 419 HD3 LYS 53 2HD LYS 53 -4.407 7.884 -10.374 420 HE2 LYS 53 1HE LYS 53 -5.579 6.790 -12.233 421 HE3 LYS 53 2HE LYS 53 -6.391 5.727 -11.087 422 HZ1 LYS 53 1HZ LYS 53 -7.458 7.636 -10.104 423 HZ2 LYS 53 2HZ LYS 53 -7.781 7.594 -11.759 424 HZ3 LYS 53 3HZ LYS 53 -6.644 8.691 -11.151 425 H MET 54 H MET 54 -0.240 4.553 -7.623 426 HA MET 54 HA MET 54 1.719 6.662 -7.756 427 HB2 MET 54 1HB MET 54 1.151 4.466 -5.785 428 HB3 MET 54 2HB MET 54 2.556 5.516 -5.627 429 HG2 MET 54 1HG MET 54 1.224 7.409 -5.296 430 HG3 MET 54 2HG MET 54 -0.230 6.592 -5.860 431 HE1 MET 54 1HE MET 54 2.607 5.630 -3.182 432 HE2 MET 54 2HE MET 54 1.745 6.151 -1.736 433 HE3 MET 54 3HE MET 54 2.169 7.323 -2.983 434 H GLN 55 H GLN 55 1.483 3.791 -9.252 435 HA GLN 55 HA GLN 55 2.847 2.302 -10.233 436 HB2 GLN 55 1HB GLN 55 4.882 4.494 -9.847 437 HB3 GLN 55 2HB GLN 55 5.124 3.070 -10.866 438 HG2 GLN 55 1HG GLN 55 3.220 3.757 -12.238 439 HG3 GLN 55 2HG GLN 55 3.013 5.182 -11.226 440 HE21 GLN 55 1HE2 GLN 55 3.580 4.986 -14.077 441 HE22 GLN 55 2HE2 GLN 55 5.047 5.867 -14.332 442 H LEU 56 H LEU 56 2.394 1.658 -7.709 443 HA LEU 56 HA LEU 56 4.998 0.802 -6.693 444 HB2 LEU 56 1HB LEU 56 2.804 2.225 -5.371 445 HB3 LEU 56 2HB LEU 56 3.406 0.842 -4.446 446 HG LEU 56 HG LEU 56 5.052 3.157 -5.474 447 HD11 LEU 56 1HD1 LEU 56 3.508 3.796 -3.676 448 HD12 LEU 56 2HD1 LEU 56 5.189 3.850 -3.151 449 HD13 LEU 56 3HD1 LEU 56 4.157 2.506 -2.670 450 HD21 LEU 56 1HD2 LEU 56 5.752 0.782 -3.767 451 HD22 LEU 56 2HD2 LEU 56 6.770 2.210 -3.938 452 HD23 LEU 56 3HD2 LEU 56 6.424 1.201 -5.344 453 H PHE 57 H PHE 57 1.838 -0.032 -7.631 454 HA PHE 57 HA PHE 57 2.398 -2.841 -7.088 455 HB2 PHE 57 1HB PHE 57 0.945 -2.176 -5.230 456 HB3 PHE 57 2HB PHE 57 -0.205 -1.462 -6.356 457 HD1 PHE 57 HD1 PHE 57 -1.744 -2.830 -7.598 458 HD2 PHE 57 HD2 PHE 57 1.141 -4.596 -5.010 459 HE1 PHE 57 HE1 PHE 57 -2.950 -4.970 -7.716 460 HE2 PHE 57 HE2 PHE 57 -0.064 -6.735 -5.126 461 HZ PHE 57 HZ PHE 57 -2.107 -6.923 -6.478 462 H ASP 58 H ASP 58 1.763 -4.152 -8.698 463 HA ASP 58 HA ASP 58 0.216 -2.963 -10.907 464 HB2 ASP 58 1HB ASP 58 2.568 -3.159 -11.551 465 HB3 ASP 58 2HB ASP 58 2.584 -4.850 -11.064 466 H ASP 59 H ASP 59 -1.291 -4.324 -11.912 467 HA ASP 59 HA ASP 59 -2.392 -6.286 -10.136 468 HB2 ASP 59 1HB ASP 59 -4.211 -6.451 -11.739 469 HB3 ASP 59 2HB ASP 59 -3.816 -4.768 -11.462 470 H THR 60 H THR 60 -0.112 -6.423 -12.607 471 HA THR 60 HA THR 60 -0.630 -9.243 -13.156 472 HB THR 60 HB THR 60 1.256 -7.255 -14.411 473 HG1 THR 60 HG1 THR 60 -0.425 -6.900 -15.611 474 HG21 THR 60 1HG2 THR 60 1.804 -8.990 -16.037 475 HG22 THR 60 2HG2 THR 60 0.825 -10.151 -15.138 476 HG23 THR 60 3HG2 THR 60 2.282 -9.470 -14.409 477 H GLU 61 H GLU 61 2.260 -7.246 -12.453 478 HA GLU 61 HA GLU 61 3.743 -9.551 -11.573 479 HB2 GLU 61 1HB GLU 61 4.598 -6.692 -11.230 480 HB3 GLU 61 2HB GLU 61 5.594 -8.128 -11.414 481 HG2 GLU 61 1HG GLU 61 4.896 -8.358 -13.717 482 HG3 GLU 61 2HG GLU 61 3.851 -6.950 -13.553 483 H GLY 62 H GLY 62 1.638 -7.367 -10.028 484 HA2 GLY 62 1HA GLY 62 0.979 -7.397 -7.793 485 HA3 GLY 62 2HA GLY 62 2.349 -8.459 -7.440 486 HA PRO 63 HA PRO 63 3.426 -4.459 -5.420 487 HB2 PRO 63 1HB PRO 63 5.121 -6.364 -3.911 488 HB3 PRO 63 2HB PRO 63 4.025 -5.111 -3.314 489 HG2 PRO 63 1HG PRO 63 3.400 -7.712 -3.144 490 HG3 PRO 63 2HG PRO 63 2.172 -6.471 -3.450 491 HD2 PRO 63 1HD PRO 63 3.453 -8.392 -5.362 492 HD3 PRO 63 2HD PRO 63 1.770 -7.808 -5.297 493 H LEU 64 H LEU 64 4.893 -3.282 -6.434 494 HA LEU 64 HA LEU 64 7.066 -4.541 -7.875 495 HB2 LEU 64 1HB LEU 64 6.498 -1.587 -7.601 496 HB3 LEU 64 2HB LEU 64 7.470 -2.380 -8.824 497 HG LEU 64 HG LEU 64 4.492 -2.745 -8.527 498 HD11 LEU 64 1HD1 LEU 64 5.008 -0.487 -9.259 499 HD12 LEU 64 2HD1 LEU 64 4.337 -1.429 -10.591 500 HD13 LEU 64 3HD1 LEU 64 6.071 -1.121 -10.516 501 HD21 LEU 64 1HD2 LEU 64 6.401 -3.647 -10.672 502 HD22 LEU 64 2HD2 LEU 64 4.653 -3.881 -10.666 503 HD23 LEU 64 3HD2 LEU 64 5.658 -4.679 -9.452 504 H VAL 65 H VAL 65 8.396 -5.334 -6.362 505 HA VAL 65 HA VAL 65 9.097 -4.347 -3.919 506 HB VAL 65 HB VAL 65 10.782 -6.000 -5.786 507 HG11 VAL 65 1HG1 VAL 65 12.191 -4.980 -4.076 508 HG12 VAL 65 2HG1 VAL 65 12.014 -6.712 -3.793 509 HG13 VAL 65 3HG1 VAL 65 11.100 -5.562 -2.816 510 HG21 VAL 65 1HG2 VAL 65 9.957 -7.860 -4.364 511 HG22 VAL 65 2HG2 VAL 65 8.692 -7.052 -5.286 512 HG23 VAL 65 3HG2 VAL 65 8.882 -6.712 -3.566 513 H ASP 66 H ASP 66 10.797 -3.720 -6.990 514 HA ASP 66 HA ASP 66 12.975 -2.351 -5.884 515 HB2 ASP 66 1HB ASP 66 13.023 -3.149 -8.156 516 HB3 ASP 66 2HB ASP 66 11.711 -2.067 -8.608 517 H ASN 67 H ASN 67 9.980 -0.993 -7.302 518 HA ASN 67 HA ASN 67 10.568 1.683 -6.622 519 HB2 ASN 67 1HB ASN 67 7.980 0.278 -7.244 520 HB3 ASN 67 2HB ASN 67 8.036 1.980 -6.819 521 HD21 ASN 67 1HD2 ASN 67 7.228 2.576 -8.818 522 HD22 ASN 67 2HD2 ASN 67 8.199 2.531 -10.251 523 H LEU 68 H LEU 68 9.031 -0.942 -4.919 524 HA LEU 68 HA LEU 68 7.906 0.500 -2.800 525 HB2 LEU 68 1HB LEU 68 8.744 -2.336 -3.190 526 HB3 LEU 68 2HB LEU 68 8.280 -1.788 -1.589 527 HG LEU 68 HG LEU 68 6.497 -1.413 -3.980 528 HD11 LEU 68 1HD1 LEU 68 5.331 -3.431 -3.332 529 HD12 LEU 68 2HD1 LEU 68 6.483 -3.709 -2.026 530 HD13 LEU 68 3HD1 LEU 68 7.012 -3.806 -3.706 531 HD21 LEU 68 1HD2 LEU 68 4.768 -1.220 -2.288 532 HD22 LEU 68 2HD2 LEU 68 6.050 -0.045 -2.000 533 HD23 LEU 68 3HD2 LEU 68 5.959 -1.506 -1.019 534 H VAL 69 H VAL 69 11.067 -1.108 -3.053 535 HA VAL 69 HA VAL 69 11.964 -0.305 -0.486 536 HB VAL 69 HB VAL 69 13.555 -1.097 -2.916 537 HG11 VAL 69 1HG1 VAL 69 14.341 -0.811 -0.026 538 HG12 VAL 69 2HG1 VAL 69 14.966 0.106 -1.396 539 HG13 VAL 69 3HG1 VAL 69 15.326 -1.615 -1.250 540 HG21 VAL 69 1HG2 VAL 69 12.658 -2.701 -0.529 541 HG22 VAL 69 2HG2 VAL 69 13.675 -3.287 -1.848 542 HG23 VAL 69 3HG2 VAL 69 12.003 -2.822 -2.164 543 H HIS 70 H HIS 70 12.369 1.073 -3.735 544 HA HIS 70 HA HIS 70 14.100 3.163 -3.030 545 HB2 HIS 70 1HB HIS 70 12.072 2.886 -5.241 546 HB3 HIS 70 2HB HIS 70 13.073 4.325 -5.072 547 HD1 HIS 70 HD1 HIS 70 13.745 3.297 -7.582 548 HD2 HIS 70 HD2 HIS 70 15.239 1.381 -4.212 549 HE1 HIS 70 HE1 HIS 70 15.737 1.987 -8.378 550 HE2 HIS 70 HE2 HIS 70 16.523 0.713 -6.352 551 H GLN 71 H GLN 71 10.666 2.816 -2.648 552 HA GLN 71 HA GLN 71 10.266 5.618 -1.975 553 HB2 GLN 71 1HB GLN 71 8.592 4.190 -3.255 554 HB3 GLN 71 2HB GLN 71 8.278 3.363 -1.733 555 HG2 GLN 71 1HG GLN 71 6.598 5.038 -2.091 556 HG3 GLN 71 2HG GLN 71 7.608 5.485 -0.717 557 HE21 GLN 71 1HE2 GLN 71 7.169 7.655 -0.830 558 HE22 GLN 71 2HE2 GLN 71 7.741 8.663 -2.108 559 H LEU 72 H LEU 72 9.643 2.517 -0.339 560 HA LEU 72 HA LEU 72 9.012 3.675 2.129 561 HB2 LEU 72 1HB LEU 72 9.843 0.876 1.418 562 HB3 LEU 72 2HB LEU 72 9.380 1.346 3.040 563 HG LEU 72 HG LEU 72 7.603 1.575 0.610 564 HD11 LEU 72 1HD1 LEU 72 8.038 -0.758 1.176 565 HD12 LEU 72 2HD1 LEU 72 6.382 -0.317 1.598 566 HD13 LEU 72 3HD1 LEU 72 7.611 -0.445 2.858 567 HD21 LEU 72 1HD2 LEU 72 6.955 3.212 2.207 568 HD22 LEU 72 2HD2 LEU 72 7.134 2.075 3.544 569 HD23 LEU 72 3HD2 LEU 72 5.832 1.861 2.371 570 H ALA 73 H ALA 73 12.077 2.326 0.950 571 HA ALA 73 HA ALA 73 13.428 2.657 3.438 572 HB1 ALA 73 1HB ALA 73 14.638 2.366 0.705 573 HB2 ALA 73 2HB ALA 73 14.080 1.026 1.704 574 HB3 ALA 73 3HB ALA 73 15.415 2.043 2.258 575 H HIS 74 H HIS 74 12.090 5.023 2.587 576 HA HIS 74 HA HIS 74 13.954 6.954 1.618 577 HB2 HIS 74 1HB HIS 74 11.498 7.204 1.356 578 HB3 HIS 74 2HB HIS 74 11.331 7.336 3.103 579 HD1 HIS 74 HD1 HIS 74 11.142 9.646 3.910 580 HD2 HIS 74 HD2 HIS 74 13.224 9.447 0.315 581 HE1 HIS 74 HE1 HIS 74 11.636 12.026 3.282 582 HE2 HIS 74 HE2 HIS 74 12.676 11.884 0.990 583 H GLY 75 H GLY 75 15.760 6.603 2.996 584 HA2 GLY 75 1HA GLY 75 17.020 7.708 4.674 585 HA3 GLY 75 2HA GLY 75 15.527 8.042 5.542 586 H ARG 76 H ARG 76 16.430 4.907 4.242 587 HA ARG 76 HA ARG 76 17.266 3.904 6.830 588 HB2 ARG 76 1HB ARG 76 14.586 3.414 5.728 589 HB3 ARG 76 2HB ARG 76 15.438 1.962 6.227 590 HG2 ARG 76 1HG ARG 76 15.838 3.160 8.438 591 HG3 ARG 76 2HG ARG 76 14.609 4.309 7.900 592 HD2 ARG 76 1HD ARG 76 13.049 2.434 7.583 593 HD3 ARG 76 2HD ARG 76 14.268 1.332 8.204 594 HE ARG 76 HE ARG 76 13.859 3.339 10.106 595 HH11 ARG 76 1HH1 ARG 76 12.146 0.661 8.646 596 HH12 ARG 76 2HH1 ARG 76 11.165 0.353 10.043 597 HH21 ARG 76 1HH2 ARG 76 12.562 2.944 11.952 598 HH22 ARG 76 2HH2 ARG 76 11.385 1.670 11.919 599 H ASP 77 H ASP 77 17.735 1.488 6.659 600 HA ASP 77 HA ASP 77 19.424 0.974 4.449 601 HB2 ASP 77 1HB ASP 77 18.342 -0.960 6.506 602 HB3 ASP 77 2HB ASP 77 19.705 -1.254 5.434 603 H ALA 78 H ALA 78 18.661 0.696 2.510 604 HA ALA 78 HA ALA 78 16.103 -0.068 1.754 605 HB1 ALA 78 1HB ALA 78 17.028 -0.326 -0.475 606 HB2 ALA 78 2HB ALA 78 18.661 -0.357 0.193 607 HB3 ALA 78 3HB ALA 78 17.686 1.108 0.313 608 H GLU 79 H GLU 79 18.950 -2.033 2.347 609 HA GLU 79 HA GLU 79 18.016 -4.398 1.122 610 HB2 GLU 79 1HB GLU 79 20.041 -3.985 3.316 611 HB3 GLU 79 2HB GLU 79 19.753 -5.527 2.519 612 HG2 GLU 79 1HG GLU 79 20.324 -4.445 0.358 613 HG3 GLU 79 2HG GLU 79 20.767 -2.994 1.253 614 H GLU 80 H GLU 80 17.806 -3.208 4.450 615 HA GLU 80 HA GLU 80 16.501 -5.475 5.521 616 HB2 GLU 80 1HB GLU 80 16.412 -2.584 6.392 617 HB3 GLU 80 2HB GLU 80 15.810 -3.938 7.339 618 HG2 GLU 80 1HG GLU 80 18.657 -3.421 6.533 619 HG3 GLU 80 2HG GLU 80 17.972 -3.287 8.144 620 H VAL 81 H VAL 81 15.337 -2.425 4.184 621 HA VAL 81 HA VAL 81 12.601 -2.749 4.533 622 HB VAL 81 HB VAL 81 14.104 -1.308 2.352 623 HG11 VAL 81 1HG1 VAL 81 12.033 0.004 2.056 624 HG12 VAL 81 2HG1 VAL 81 11.202 -1.107 3.149 625 HG13 VAL 81 3HG1 VAL 81 11.829 -1.690 1.608 626 HG21 VAL 81 1HG2 VAL 81 13.589 0.658 3.750 627 HG22 VAL 81 2HG2 VAL 81 14.653 -0.508 4.526 628 HG23 VAL 81 3HG2 VAL 81 12.949 -0.432 4.977 629 H ARG 82 H ARG 82 14.620 -3.633 1.738 630 HA ARG 82 HA ARG 82 12.767 -4.723 0.032 631 HB2 ARG 82 1HB ARG 82 15.199 -4.422 -0.387 632 HB3 ARG 82 2HB ARG 82 15.511 -5.842 0.602 633 HG2 ARG 82 1HG ARG 82 14.063 -7.134 -0.976 634 HG3 ARG 82 2HG ARG 82 14.056 -5.710 -2.017 635 HD2 ARG 82 1HD ARG 82 16.552 -5.786 -1.982 636 HD3 ARG 82 2HD ARG 82 16.439 -7.326 -1.138 637 HE ARG 82 HE ARG 82 14.968 -7.253 -3.605 638 HH11 ARG 82 1HH1 ARG 82 18.093 -7.837 -2.143 639 HH12 ARG 82 2HH1 ARG 82 18.661 -8.828 -3.449 640 HH21 ARG 82 1HH2 ARG 82 15.719 -8.546 -5.335 641 HH22 ARG 82 2HH2 ARG 82 17.316 -9.223 -5.268 642 H THR 83 H THR 83 14.397 -6.289 2.754 643 HA THR 83 HA THR 83 13.360 -8.871 2.307 644 HB THR 83 HB THR 83 14.583 -7.505 4.685 645 HG1 THR 83 HG1 THR 83 15.527 -8.692 2.543 646 HG21 THR 83 1HG2 THR 83 14.662 -9.660 5.842 647 HG22 THR 83 2HG2 THR 83 13.710 -10.396 4.551 648 HG23 THR 83 3HG2 THR 83 12.994 -9.149 5.573 649 H GLU 84 H GLU 84 12.405 -6.355 4.657 650 HA GLU 84 HA GLU 84 10.241 -7.696 5.779 651 HB2 GLU 84 1HB GLU 84 10.553 -4.714 5.404 652 HB3 GLU 84 2HB GLU 84 9.508 -5.515 6.572 653 HG2 GLU 84 1HG GLU 84 11.529 -6.535 7.579 654 HG3 GLU 84 2HG GLU 84 12.509 -5.551 6.499 655 H VAL 85 H VAL 85 10.326 -5.549 2.936 656 HA VAL 85 HA VAL 85 7.592 -5.561 2.348 657 HB VAL 85 HB VAL 85 10.022 -5.320 0.582 658 HG11 VAL 85 1HG1 VAL 85 8.267 -6.325 -0.772 659 HG12 VAL 85 2HG1 VAL 85 8.516 -4.640 -1.241 660 HG13 VAL 85 3HG1 VAL 85 7.129 -5.085 -0.243 661 HG21 VAL 85 1HG2 VAL 85 9.286 -2.994 0.417 662 HG22 VAL 85 2HG2 VAL 85 9.566 -3.475 2.092 663 HG23 VAL 85 3HG2 VAL 85 7.917 -3.355 1.471 664 H LEU 86 H LEU 86 10.168 -7.738 1.197 665 HA LEU 86 HA LEU 86 8.626 -9.351 -0.450 666 HB2 LEU 86 1HB LEU 86 11.116 -9.965 1.131 667 HB3 LEU 86 2HB LEU 86 10.404 -11.085 -0.027 668 HG LEU 86 HG LEU 86 11.295 -8.305 -0.755 669 HD11 LEU 86 1HD1 LEU 86 12.791 -10.906 -1.046 670 HD12 LEU 86 2HD1 LEU 86 13.190 -9.610 0.081 671 HD13 LEU 86 3HD1 LEU 86 13.308 -9.334 -1.658 672 HD21 LEU 86 1HD2 LEU 86 10.601 -10.748 -2.370 673 HD22 LEU 86 2HD2 LEU 86 11.270 -9.256 -3.032 674 HD23 LEU 86 3HD2 LEU 86 9.680 -9.247 -2.273 675 H LYS 87 H LYS 87 9.063 -9.434 3.025 676 HA LYS 87 HA LYS 87 7.906 -12.020 3.412 677 HB2 LYS 87 1HB LYS 87 8.402 -9.713 5.293 678 HB3 LYS 87 2HB LYS 87 7.693 -11.237 5.811 679 HG2 LYS 87 1HG LYS 87 9.702 -12.421 5.060 680 HG3 LYS 87 2HG LYS 87 10.419 -10.873 4.580 681 HD2 LYS 87 1HD LYS 87 10.341 -10.105 6.880 682 HD3 LYS 87 2HD LYS 87 9.548 -11.603 7.376 683 HE2 LYS 87 1HE LYS 87 11.565 -12.824 6.499 684 HE3 LYS 87 2HE LYS 87 12.347 -11.254 6.329 685 HZ1 LYS 87 1HZ LYS 87 11.997 -10.895 8.714 686 HZ2 LYS 87 2HZ LYS 87 12.956 -12.252 8.412 687 HZ3 LYS 87 3HZ LYS 87 11.335 -12.447 8.852 688 H CYS 88 H CYS 88 6.598 -9.094 2.521 689 HA CYS 88 HA CYS 88 3.944 -9.872 3.512 690 HB2 CYS 88 1HB CYS 88 5.187 -7.208 2.948 691 HB3 CYS 88 2HB CYS 88 3.422 -7.390 2.860 692 H VAL 89 H VAL 89 5.900 -9.830 0.815 693 HA VAL 89 HA VAL 89 3.883 -9.336 -1.165 694 HB VAL 89 HB VAL 89 6.647 -10.525 -1.420 695 HG11 VAL 89 1HG1 VAL 89 4.574 -9.810 -3.468 696 HG12 VAL 89 2HG1 VAL 89 5.433 -11.338 -3.266 697 HG13 VAL 89 3HG1 VAL 89 6.288 -9.917 -3.867 698 HG21 VAL 89 1HG2 VAL 89 5.589 -7.766 -2.012 699 HG22 VAL 89 2HG2 VAL 89 7.204 -8.340 -2.426 700 HG23 VAL 89 3HG2 VAL 89 6.721 -8.211 -0.736 701 H ASP 90 H ASP 90 2.530 -10.737 -1.999 702 HA ASP 90 HA ASP 90 3.085 -13.605 -1.791 703 HB2 ASP 90 1HB ASP 90 0.517 -12.185 -1.128 704 HB3 ASP 90 2HB ASP 90 0.538 -13.890 -1.572 705 H LYS 91 H LYS 91 1.665 -14.854 -3.305 706 HA LYS 91 HA LYS 91 1.605 -13.529 -5.909 707 HB2 LYS 91 1HB LYS 91 0.973 -16.424 -5.369 708 HB3 LYS 91 2HB LYS 91 1.570 -15.684 -6.850 709 HG2 LYS 91 1HG LYS 91 3.700 -15.221 -5.735 710 HG3 LYS 91 2HG LYS 91 3.106 -16.058 -4.303 711 HD2 LYS 91 1HD LYS 91 2.846 -18.107 -5.619 712 HD3 LYS 91 2HD LYS 91 3.458 -17.264 -7.044 713 HE2 LYS 91 1HE LYS 91 5.583 -16.879 -5.919 714 HE3 LYS 91 2HE LYS 91 4.973 -17.675 -4.469 715 HZ1 LYS 91 1HZ LYS 91 6.341 -19.169 -5.758 716 HZ2 LYS 91 2HZ LYS 91 5.366 -18.950 -7.121 717 HZ3 LYS 91 3HZ LYS 91 4.743 -19.720 -5.749 718 H ASN 92 H ASN 92 -0.286 -14.017 -7.325 719 HA ASN 92 HA ASN 92 -2.645 -13.167 -5.905 720 HB2 ASN 92 1HB ASN 92 -1.943 -12.225 -8.124 721 HB3 ASN 92 2HB ASN 92 -2.382 -13.769 -8.846 722 HD21 ASN 92 1HD2 ASN 92 -3.931 -12.730 -10.123 723 HD22 ASN 92 2HD2 ASN 92 -5.449 -12.210 -9.475 724 H THR 93 H THR 93 -2.362 -15.448 -4.817 725 HA THR 93 HA THR 93 -3.967 -17.446 -6.189 726 HB THR 93 HB THR 93 -3.716 -18.765 -4.130 727 HG1 THR 93 HG1 THR 93 -3.587 -17.438 -2.435 728 HG21 THR 93 1HG2 THR 93 -1.147 -17.519 -5.100 729 HG22 THR 93 2HG2 THR 93 -1.951 -18.938 -5.771 730 HG23 THR 93 3HG2 THR 93 -1.258 -19.002 -4.152 731 H ASP 94 H ASP 94 -4.466 -14.635 -4.582 732 HA ASP 94 HA ASP 94 -6.909 -15.301 -3.202 733 HB2 ASP 94 1HB ASP 94 -5.376 -13.485 -2.433 734 HB3 ASP 94 2HB ASP 94 -5.765 -12.582 -3.902 735 H ASN 95 H ASN 95 -5.881 -14.272 -6.301 736 HA ASN 95 HA ASN 95 -6.892 -14.165 -8.305 737 HB2 ASN 95 1HB ASN 95 -9.278 -15.331 -6.859 738 HB3 ASN 95 2HB ASN 95 -9.106 -15.216 -8.602 739 HD21 ASN 95 1HD2 ASN 95 -6.247 -15.894 -8.555 740 HD22 ASN 95 2HD2 ASN 95 -6.184 -17.596 -8.221 741 H ASN 96 H ASN 96 -7.225 -12.008 -6.182 742 HA ASN 96 HA ASN 96 -9.013 -10.380 -7.789 743 HB2 ASN 96 1HB ASN 96 -10.560 -11.153 -6.127 744 HB3 ASN 96 2HB ASN 96 -9.411 -10.847 -4.824 745 HD21 ASN 96 1HD2 ASN 96 -11.619 -9.424 -7.109 746 HD22 ASN 96 2HD2 ASN 96 -11.716 -7.872 -6.348 747 H ALA 97 H ALA 97 -8.058 -8.502 -8.174 748 HA ALA 97 HA ALA 97 -5.476 -7.993 -7.152 749 HB1 ALA 97 1HB ALA 97 -6.184 -7.405 -9.428 750 HB2 ALA 97 2HB ALA 97 -5.488 -6.034 -8.563 751 HB3 ALA 97 3HB ALA 97 -7.235 -6.156 -8.761 752 H CYS 98 H CYS 98 -8.652 -6.686 -6.316 753 HA CYS 98 HA CYS 98 -7.739 -4.442 -4.858 754 HB2 CYS 98 1HB CYS 98 -10.247 -6.064 -4.382 755 HB3 CYS 98 2HB CYS 98 -9.910 -4.475 -3.712 756 H HIS 99 H HIS 99 -8.368 -7.793 -3.824 757 HA HIS 99 HA HIS 99 -7.684 -7.120 -1.097 758 HB2 HIS 99 1HB HIS 99 -9.384 -8.887 -1.758 759 HB3 HIS 99 2HB HIS 99 -8.022 -9.893 -2.237 760 HD1 HIS 99 HD1 HIS 99 -7.757 -11.625 -0.486 761 HD2 HIS 99 HD2 HIS 99 -8.561 -7.877 1.140 762 HE1 HIS 99 HE1 HIS 99 -7.614 -11.914 2.011 763 HE2 HIS 99 HE2 HIS 99 -8.313 -9.691 2.963 764 H TRP 100 H TRP 100 -6.109 -8.377 -3.897 765 HA TRP 100 HA TRP 100 -3.863 -9.561 -2.693 766 HB2 TRP 100 1HB TRP 100 -4.529 -9.796 -5.101 767 HB3 TRP 100 2HB TRP 100 -3.959 -8.151 -5.376 768 HD1 TRP 100 HD1 TRP 100 -1.683 -9.964 -3.061 769 HE1 TRP 100 HE1 TRP 100 0.409 -10.769 -4.322 770 HE3 TRP 100 HE3 TRP 100 -3.253 -9.174 -7.866 771 HZ2 TRP 100 HZ2 TRP 100 1.280 -11.048 -6.982 772 HZ3 TRP 100 HZ3 TRP 100 -1.731 -9.736 -9.710 773 HH2 TRP 100 HH2 TRP 100 0.489 -10.655 -9.283 774 H ALA 101 H ALA 101 -4.296 -6.301 -4.055 775 HA ALA 101 HA ALA 101 -1.816 -5.266 -3.207 776 HB1 ALA 101 1HB ALA 101 -2.801 -3.072 -3.674 777 HB2 ALA 101 2HB ALA 101 -4.396 -3.817 -3.789 778 HB3 ALA 101 3HB ALA 101 -3.148 -4.226 -4.964 779 H PHE 102 H PHE 102 -5.006 -5.327 -1.740 780 HA PHE 102 HA PHE 102 -4.446 -3.582 0.383 781 HB2 PHE 102 1HB PHE 102 -6.714 -4.108 -0.332 782 HB3 PHE 102 2HB PHE 102 -6.520 -5.768 0.217 783 HD1 PHE 102 HD1 PHE 102 -6.435 -2.252 1.411 784 HD2 PHE 102 HD2 PHE 102 -7.133 -6.333 2.403 785 HE1 PHE 102 HE1 PHE 102 -7.243 -1.572 3.632 786 HE2 PHE 102 HE2 PHE 102 -7.945 -5.660 4.623 787 HZ PHE 102 HZ PHE 102 -8.001 -3.274 5.241 788 H ARG 103 H ARG 103 -3.954 -7.021 -0.049 789 HA ARG 103 HA ARG 103 -3.575 -7.602 2.724 790 HB2 ARG 103 1HB ARG 103 -4.258 -9.277 0.968 791 HB3 ARG 103 2HB ARG 103 -2.600 -9.231 0.389 792 HG2 ARG 103 1HG ARG 103 -1.773 -10.065 2.466 793 HG3 ARG 103 2HG ARG 103 -3.368 -9.944 3.198 794 HD2 ARG 103 1HD ARG 103 -2.807 -12.252 2.567 795 HD3 ARG 103 2HD ARG 103 -4.210 -11.649 1.697 796 HE ARG 103 HE ARG 103 -1.741 -11.309 0.272 797 HH11 ARG 103 1HH1 ARG 103 -4.372 -13.478 1.007 798 HH12 ARG 103 2HH1 ARG 103 -4.175 -14.427 -0.425 799 HH21 ARG 103 1HH2 ARG 103 -1.464 -12.560 -1.638 800 HH22 ARG 103 2HH2 ARG 103 -2.500 -13.914 -1.931 801 H GLY 104 H GLY 104 -1.476 -6.813 0.008 802 HA2 GLY 104 1HA GLY 104 1.001 -7.209 1.323 803 HA3 GLY 104 2HA GLY 104 0.726 -6.139 -0.058 804 H PHE 105 H PHE 105 -1.082 -4.365 0.991 805 HA PHE 105 HA PHE 105 0.588 -2.587 2.386 806 HB2 PHE 105 1HB PHE 105 -1.073 -1.670 0.963 807 HB3 PHE 105 2HB PHE 105 -2.353 -2.568 1.762 808 HD1 PHE 105 HD1 PHE 105 -3.822 -0.991 2.640 809 HD2 PHE 105 HD2 PHE 105 0.374 -0.439 3.140 810 HE1 PHE 105 HE1 PHE 105 -4.252 0.963 4.064 811 HE2 PHE 105 HE2 PHE 105 -0.059 1.519 4.566 812 HZ PHE 105 HZ PHE 105 -2.370 2.222 5.030 813 H LYS 106 H LYS 106 -2.183 -4.528 3.412 814 HA LYS 106 HA LYS 106 -2.329 -3.570 6.035 815 HB2 LYS 106 1HB LYS 106 -4.251 -4.647 5.410 816 HB3 LYS 106 2HB LYS 106 -3.406 -5.966 4.611 817 HG2 LYS 106 1HG LYS 106 -2.782 -6.812 6.874 818 HG3 LYS 106 2HG LYS 106 -3.806 -5.547 7.564 819 HD2 LYS 106 1HD LYS 106 -5.736 -6.470 6.347 820 HD3 LYS 106 2HD LYS 106 -4.706 -7.744 5.696 821 HE2 LYS 106 1HE LYS 106 -4.241 -8.489 8.015 822 HE3 LYS 106 2HE LYS 106 -5.382 -7.279 8.599 823 HZ1 LYS 106 1HZ LYS 106 -6.022 -9.550 6.798 824 HZ2 LYS 106 2HZ LYS 106 -7.131 -8.378 7.317 825 HZ3 LYS 106 3HZ LYS 106 -6.424 -9.435 8.435 826 H CYS 107 H CYS 107 -0.613 -6.351 4.665 827 HA CYS 107 HA CYS 107 0.297 -7.466 7.053 828 HB2 CYS 107 1HB CYS 107 0.464 -8.770 5.090 829 HB3 CYS 107 2HB CYS 107 1.380 -7.535 4.235 830 H PHE 108 H PHE 108 1.732 -5.003 4.958 831 HA PHE 108 HA PHE 108 4.207 -4.931 6.364 832 HB2 PHE 108 1HB PHE 108 3.817 -4.326 3.938 833 HB3 PHE 108 2HB PHE 108 3.123 -2.812 4.516 834 HD1 PHE 108 HD1 PHE 108 6.175 -4.788 4.139 835 HD2 PHE 108 HD2 PHE 108 4.539 -1.078 5.445 836 HE1 PHE 108 HE1 PHE 108 8.432 -3.818 4.208 837 HE2 PHE 108 HE2 PHE 108 6.797 -0.106 5.512 838 HZ PHE 108 HZ PHE 108 8.743 -1.474 4.888 839 H GLN 109 H GLN 109 1.394 -2.737 6.235 840 HA GLN 109 HA GLN 109 2.453 -0.805 7.979 841 HB2 GLN 109 1HB GLN 109 0.228 0.104 8.107 842 HB3 GLN 109 2HB GLN 109 0.560 -0.387 6.454 843 HG2 GLN 109 1HG GLN 109 -1.454 -1.329 6.554 844 HG3 GLN 109 2HG GLN 109 -0.646 -2.612 7.461 845 HE21 GLN 109 1HE2 GLN 109 -3.404 -1.724 7.572 846 HE22 GLN 109 2HE2 GLN 109 -3.704 -1.274 9.212 847 H LYS 110 H LYS 110 1.092 -3.889 8.591 848 HA LYS 110 HA LYS 110 -0.035 -3.422 11.132 849 HB2 LYS 110 1HB LYS 110 -0.511 -5.361 9.623 850 HB3 LYS 110 2HB LYS 110 1.071 -6.001 10.028 851 HG2 LYS 110 1HG LYS 110 0.458 -6.354 12.279 852 HG3 LYS 110 2HG LYS 110 -1.039 -5.447 12.083 853 HD2 LYS 110 1HD LYS 110 -1.832 -7.147 10.491 854 HD3 LYS 110 2HD LYS 110 -0.345 -8.062 10.751 855 HE2 LYS 110 1HE LYS 110 -2.287 -7.344 12.935 856 HE3 LYS 110 2HE LYS 110 -2.319 -8.872 12.060 857 HZ1 LYS 110 1HZ LYS 110 -0.074 -7.853 13.718 858 HZ2 LYS 110 2HZ LYS 110 -0.062 -9.303 12.845 859 HZ3 LYS 110 3HZ LYS 110 -1.137 -9.102 14.133 860 H ASN 111 H ASN 111 3.225 -3.866 10.067 861 HA ASN 111 HA ASN 111 4.070 -3.803 12.883 862 HB2 ASN 111 1HB ASN 111 5.336 -5.645 12.695 863 HB3 ASN 111 2HB ASN 111 4.461 -5.968 11.209 864 HD21 ASN 111 1HD2 ASN 111 5.451 -5.615 9.241 865 HD22 ASN 111 2HD2 ASN 111 7.151 -5.349 9.090 866 H ASN 112 H ASN 112 4.327 -2.473 9.741 867 HA ASN 112 HA ASN 112 6.442 -0.673 10.698 868 HB2 ASN 112 1HB ASN 112 6.385 -2.166 8.080 869 HB3 ASN 112 2HB ASN 112 7.319 -0.680 8.299 870 HD21 ASN 112 1HD2 ASN 112 8.010 -3.577 7.829 871 HD22 ASN 112 2HD2 ASN 112 9.218 -3.913 9.027 872 H LEU 113 H LEU 113 4.163 0.398 11.021 873 HA LEU 113 HA LEU 113 3.104 1.558 8.586 874 HB2 LEU 113 1HB LEU 113 1.487 0.946 10.215 875 HB3 LEU 113 2HB LEU 113 2.312 1.842 11.472 876 HG LEU 113 HG LEU 113 1.757 3.943 10.218 877 HD11 LEU 113 1HD1 LEU 113 0.095 3.874 8.482 878 HD12 LEU 113 2HD1 LEU 113 -0.033 2.123 8.624 879 HD13 LEU 113 3HD1 LEU 113 1.456 2.851 8.018 880 HD21 LEU 113 1HD2 LEU 113 0.442 3.195 12.132 881 HD22 LEU 113 2HD2 LEU 113 -0.557 2.208 11.066 882 HD23 LEU 113 3HD2 LEU 113 -0.585 3.967 10.921 883 H SER 114 H SER 114 5.126 2.513 11.269 884 HA SER 114 HA SER 114 4.946 5.314 10.912 885 HB2 SER 114 1HB SER 114 5.869 4.066 12.934 886 HB3 SER 114 2HB SER 114 7.345 3.834 12.001 887 HG SER 114 HG SER 114 7.880 5.834 12.363 888 H LEU 115 H LEU 115 6.911 2.822 9.435 889 HA LEU 115 HA LEU 115 8.716 4.516 8.072 890 HB2 LEU 115 1HB LEU 115 9.072 2.102 8.420 891 HB3 LEU 115 2HB LEU 115 7.748 1.764 7.323 892 HG LEU 115 HG LEU 115 9.013 2.854 5.496 893 HD11 LEU 115 1HD1 LEU 115 11.454 3.225 5.909 894 HD12 LEU 115 2HD1 LEU 115 11.107 3.090 7.636 895 HD13 LEU 115 3HD1 LEU 115 10.374 4.381 6.688 896 HD21 LEU 115 1HD2 LEU 115 10.658 1.062 5.212 897 HD22 LEU 115 2HD2 LEU 115 9.108 0.441 5.782 898 HD23 LEU 115 3HD2 LEU 115 10.456 0.610 6.906 899 H ILE 116 H ILE 116 5.528 3.261 7.324 900 HA ILE 116 HA ILE 116 5.428 4.010 4.613 901 HB ILE 116 HB ILE 116 3.197 3.646 6.627 902 HG12 ILE 116 1HG1 ILE 116 4.302 1.820 4.476 903 HG13 ILE 116 2HG1 ILE 116 4.532 1.632 6.221 904 HG21 ILE 116 1HG2 ILE 116 1.692 3.467 4.707 905 HG22 ILE 116 2HG2 ILE 116 3.026 3.868 3.626 906 HG23 ILE 116 3HG2 ILE 116 2.443 5.062 4.787 907 HD11 ILE 116 1HD1 ILE 116 2.072 1.376 6.437 908 HD12 ILE 116 2HD1 ILE 116 2.854 0.106 5.498 909 HD13 ILE 116 3HD1 ILE 116 1.965 1.389 4.678 910 H LYS 117 H LYS 117 4.544 5.652 7.595 911 HA LYS 117 HA LYS 117 3.492 7.992 6.443 912 HB2 LYS 117 1HB LYS 117 4.738 7.468 9.137 913 HB3 LYS 117 2HB LYS 117 4.016 9.011 8.699 914 HG2 LYS 117 1HG LYS 117 1.868 7.902 8.329 915 HG3 LYS 117 2HG LYS 117 2.581 6.353 8.769 916 HD2 LYS 117 1HD LYS 117 3.058 7.205 11.014 917 HD3 LYS 117 2HD LYS 117 2.375 8.770 10.575 918 HE2 LYS 117 1HE LYS 117 0.198 7.739 10.224 919 HE3 LYS 117 2HE LYS 117 0.872 6.154 10.597 920 HZ1 LYS 117 1HZ LYS 117 0.712 8.453 12.467 921 HZ2 LYS 117 2HZ LYS 117 1.372 6.941 12.830 922 HZ3 LYS 117 3HZ LYS 117 -0.280 7.085 12.498 923 H ALA 118 H ALA 118 6.753 7.178 7.596 924 HA ALA 118 HA ALA 118 7.853 9.745 6.990 925 HB1 ALA 118 1HB ALA 118 8.773 8.343 8.737 926 HB2 ALA 118 2HB ALA 118 9.996 8.702 7.518 927 HB3 ALA 118 3HB ALA 118 9.214 7.120 7.548 928 H SER 119 H SER 119 7.221 6.938 5.132 929 HA SER 119 HA SER 119 9.191 7.263 3.133 930 HB2 SER 119 1HB SER 119 7.986 5.156 3.430 931 HB3 SER 119 2HB SER 119 6.469 5.942 3.002 932 HG SER 119 HG SER 119 8.735 5.661 1.309 933 H ILE 120 H ILE 120 5.901 8.481 3.520 934 HA ILE 120 HA ILE 120 6.077 9.879 0.959 935 HB ILE 120 HB ILE 120 3.710 10.490 1.363 936 HG12 ILE 120 1HG1 ILE 120 3.860 8.632 3.736 937 HG13 ILE 120 2HG1 ILE 120 3.918 10.388 3.877 938 HG21 ILE 120 1HG2 ILE 120 4.215 8.521 0.074 939 HG22 ILE 120 2HG2 ILE 120 2.800 8.215 1.082 940 HG23 ILE 120 3HG2 ILE 120 4.371 7.562 1.546 941 HD11 ILE 120 1HD1 ILE 120 1.716 10.549 2.870 942 HD12 ILE 120 2HD1 ILE 120 1.691 9.532 4.308 943 HD13 ILE 120 3HD1 ILE 120 1.653 8.797 2.708 944 H LYS 121 H LYS 121 6.853 10.471 4.140 945 HA LYS 121 HA LYS 121 6.001 13.244 4.115 946 HB2 LYS 121 1HB LYS 121 5.910 11.695 6.153 947 HB3 LYS 121 2HB LYS 121 7.654 11.907 6.239 948 HG2 LYS 121 1HG LYS 121 6.613 13.464 7.738 949 HG3 LYS 121 2HG LYS 121 7.286 14.363 6.373 950 HD2 LYS 121 1HD LYS 121 5.046 14.392 5.331 951 HD3 LYS 121 2HD LYS 121 4.398 13.579 6.756 952 HE2 LYS 121 1HE LYS 121 4.005 15.989 6.836 953 HE3 LYS 121 2HE LYS 121 5.058 15.459 8.145 954 HZ1 LYS 121 1HZ LYS 121 6.960 16.264 6.929 955 HZ2 LYS 121 2HZ LYS 121 5.829 17.510 7.085 956 HZ3 LYS 121 3HZ LYS 121 5.989 16.698 5.613 957 H LYS 122 H LYS 122 7.202 14.722 3.219 958 HA LYS 122 HA LYS 122 8.947 16.017 2.625 959 HB2 LYS 122 1HB LYS 122 9.893 14.643 4.915 960 HB3 LYS 122 2HB LYS 122 11.199 14.703 3.765 961 HG2 LYS 122 1HG LYS 122 9.668 17.032 4.901 962 HG3 LYS 122 2HG LYS 122 11.345 16.597 5.229 963 HD2 LYS 122 1HD LYS 122 11.773 16.929 2.760 964 HD3 LYS 122 2HD LYS 122 10.165 17.642 2.666 965 HE2 LYS 122 1HE LYS 122 11.798 19.396 2.905 966 HE3 LYS 122 2HE LYS 122 10.833 19.292 4.376 967 HZ1 LYS 122 1HZ LYS 122 13.542 18.132 4.011 968 HZ2 LYS 122 2HZ LYS 122 12.620 18.061 5.426 969 HZ3 LYS 122 3HZ LYS 122 13.185 19.550 4.864 970 H ASP 123 H ASP 123 10.134 16.112 0.805 971 HA ASP 123 HA ASP 123 10.517 13.769 -0.777 972 HB2 ASP 123 1HB ASP 123 10.089 15.922 -1.840 973 HB3 ASP 123 2HB ASP 123 11.569 16.580 -1.156 974 H21 ACD 201 H21 ACD 1 -4.611 4.962 1.504 975 H22 ACD 201 H22 ACD 1 -3.399 5.186 2.771 976 H31 ACD 201 H31 ACD 1 -2.035 6.563 1.214 977 H32 ACD 201 H32 ACD 1 -3.235 6.334 -0.055 978 H41 ACD 201 H41 ACD 1 -2.840 3.878 0.010 979 H42 ACD 201 H42 ACD 1 -1.340 4.759 -0.328 980 H5 ACD 201 H5 ACD 1 -2.010 3.245 2.248 981 H6 ACD 201 H6 ACD 1 0.265 3.760 2.765 982 H71 ACD 201 H71 ACD 1 0.790 4.801 0.124 983 H72 ACD 201 H72 ACD 1 -0.113 6.097 0.909 984 H8 ACD 201 H8 ACD 1 1.711 6.391 2.603 985 H9 ACD 201 H9 ACD 1 3.829 5.481 1.995 986 H101 ACD 201 H101 ACD 1 2.795 4.694 -0.607 987 H102 ACD 201 H102 ACD 1 2.324 3.386 0.484 988 H11 ACD 201 H11 ACD 1 5.285 4.288 0.386 989 H12 ACD 201 H12 ACD 1 5.626 1.957 0.095 990 H131 ACD 201 H131 ACD 1 2.658 1.960 -0.620 991 H132 ACD 201 H132 ACD 1 3.764 0.588 -0.708 992 H14 ACD 201 H14 ACD 1 2.613 1.659 1.972 993 H15 ACD 201 H15 ACD 1 2.552 -0.675 2.448 994 H161 ACD 201 H161 ACD 1 2.784 -1.386 -0.352 995 H162 ACD 201 H162 ACD 1 4.434 -0.969 0.127 996 H171 ACD 201 H171 ACD 1 4.470 -2.657 1.842 997 H172 ACD 201 H172 ACD 1 2.731 -2.926 1.710 998 H181 ACD 201 H181 ACD 1 4.752 -3.500 -0.498 999 H182 ACD 201 H182 ACD 1 3.017 -3.815 -0.578 1000 H191 ACD 201 H191 ACD 1 4.997 -5.088 1.362 1001 H192 ACD 201 H192 ACD 1 3.251 -5.333 1.430 1002 H201 ACD 201 H201 ACD 1 4.348 -7.155 0.209 1003 H202 ACD 201 H202 ACD 1 5.028 -6.028 -0.917 1004 H203 ACD 201 H203 ACD 1 3.314 -6.266 -0.857 Start of MODEL 9 1 H1 MET 1 1H MET 1 13.263 14.540 -13.994 2 H2 MET 1 2H MET 1 13.361 12.885 -14.301 3 H3 MET 1 3H MET 1 13.694 13.989 -15.533 4 HA MET 1 HA MET 1 15.715 13.024 -14.656 5 HB2 MET 1 1HB MET 1 15.325 15.949 -13.978 6 HB3 MET 1 2HB MET 1 16.885 15.151 -14.106 7 HG2 MET 1 1HG MET 1 16.454 14.672 -16.457 8 HG3 MET 1 2HG MET 1 14.884 15.462 -16.331 9 HE1 MET 1 1HE MET 1 16.978 17.963 -18.511 10 HE2 MET 1 2HE MET 1 15.484 17.030 -18.404 11 HE3 MET 1 3HE MET 1 17.034 16.201 -18.537 12 H GLU 2 H GLU 2 14.270 15.185 -12.201 13 HA GLU 2 HA GLU 2 15.800 13.965 -10.106 14 HB2 GLU 2 1HB GLU 2 13.486 15.897 -9.954 15 HB3 GLU 2 2HB GLU 2 14.509 15.422 -8.607 16 HG2 GLU 2 1HG GLU 2 15.388 16.911 -11.065 17 HG3 GLU 2 2HG GLU 2 15.150 17.592 -9.458 18 H PHE 3 H PHE 3 15.348 12.124 -9.188 19 HA PHE 3 HA PHE 3 12.897 10.750 -9.568 20 HB2 PHE 3 1HB PHE 3 15.014 9.561 -9.209 21 HB3 PHE 3 2HB PHE 3 15.104 10.205 -7.566 22 HD1 PHE 3 HD1 PHE 3 13.908 9.168 -5.791 23 HD2 PHE 3 HD2 PHE 3 13.237 7.975 -9.817 24 HE1 PHE 3 HE1 PHE 3 12.636 7.216 -4.997 25 HE2 PHE 3 HE2 PHE 3 11.956 6.027 -9.030 26 HZ PHE 3 HZ PHE 3 11.653 5.646 -6.621 27 H THR 4 H THR 4 11.085 11.499 -8.724 28 HA THR 4 HA THR 4 11.141 12.558 -5.965 29 HB THR 4 HB THR 4 8.738 13.061 -7.607 30 HG1 THR 4 HG1 THR 4 10.835 13.405 -8.941 31 HG21 THR 4 1HG2 THR 4 10.483 14.753 -5.832 32 HG22 THR 4 2HG2 THR 4 8.981 13.950 -5.379 33 HG23 THR 4 3HG2 THR 4 8.957 15.265 -6.553 34 H VAL 5 H VAL 5 10.469 11.208 -4.536 35 HA VAL 5 HA VAL 5 8.705 8.995 -5.114 36 HB VAL 5 HB VAL 5 9.084 8.265 -2.965 37 HG11 VAL 5 1HG1 VAL 5 11.426 10.111 -3.249 38 HG12 VAL 5 2HG1 VAL 5 11.230 8.583 -4.101 39 HG13 VAL 5 3HG1 VAL 5 11.350 8.601 -2.343 40 HG21 VAL 5 1HG2 VAL 5 9.441 9.631 -1.000 41 HG22 VAL 5 2HG2 VAL 5 8.008 10.204 -1.852 42 HG23 VAL 5 3HG2 VAL 5 9.527 11.087 -1.986 43 H SER 6 H SER 6 6.596 8.739 -4.371 44 HA SER 6 HA SER 6 4.931 10.979 -4.571 45 HB2 SER 6 1HB SER 6 4.263 8.343 -3.242 46 HB3 SER 6 2HB SER 6 3.125 9.489 -3.954 47 HG SER 6 HG SER 6 4.204 9.099 -5.982 48 H THR 7 H THR 7 4.690 12.586 -3.163 49 HA THR 7 HA THR 7 5.485 12.162 -0.382 50 HB THR 7 HB THR 7 5.537 14.639 -0.253 51 HG1 THR 7 HG1 THR 7 5.146 14.618 -3.076 52 HG21 THR 7 1HG2 THR 7 7.564 13.427 -0.840 53 HG22 THR 7 2HG2 THR 7 7.489 14.952 -1.724 54 HG23 THR 7 3HG2 THR 7 7.097 13.437 -2.540 55 H THR 8 H THR 8 4.164 13.615 1.208 56 HA THR 8 HA THR 8 1.663 12.427 1.427 57 HB THR 8 HB THR 8 2.532 15.016 2.710 58 HG1 THR 8 HG1 THR 8 3.775 12.812 2.916 59 HG21 THR 8 1HG2 THR 8 0.962 14.367 4.479 60 HG22 THR 8 2HG2 THR 8 0.491 12.955 3.531 61 HG23 THR 8 3HG2 THR 8 0.150 14.577 2.925 62 H GLU 9 H GLU 9 2.443 15.728 0.391 63 HA GLU 9 HA GLU 9 -0.201 16.599 0.086 64 HB2 GLU 9 1HB GLU 9 1.891 18.020 0.208 65 HB3 GLU 9 2HB GLU 9 2.158 17.626 -1.484 66 HG2 GLU 9 1HG GLU 9 1.120 19.749 -1.407 67 HG3 GLU 9 2HG GLU 9 -0.093 18.600 -1.972 68 H ASP 10 H ASP 10 2.035 15.074 -2.174 69 HA ASP 10 HA ASP 10 0.273 15.436 -4.420 70 HB2 ASP 10 1HB ASP 10 2.205 15.276 -5.510 71 HB3 ASP 10 2HB ASP 10 3.029 14.827 -4.021 72 H LEU 11 H LEU 11 1.077 12.918 -2.160 73 HA LEU 11 HA LEU 11 -0.202 10.722 -3.285 74 HB2 LEU 11 1HB LEU 11 1.167 10.471 -1.348 75 HB3 LEU 11 2HB LEU 11 0.144 11.557 -0.406 76 HG LEU 11 HG LEU 11 -1.673 9.855 -0.587 77 HD11 LEU 11 1HD1 LEU 11 0.527 8.123 -1.684 78 HD12 LEU 11 2HD1 LEU 11 -0.877 8.705 -2.578 79 HD13 LEU 11 3HD1 LEU 11 -1.093 7.590 -1.231 80 HD21 LEU 11 1HD2 LEU 11 -0.748 8.409 1.120 81 HD22 LEU 11 2HD2 LEU 11 -0.221 10.069 1.389 82 HD23 LEU 11 3HD2 LEU 11 0.885 8.894 0.679 83 H GLN 12 H GLN 12 -1.516 13.527 -1.679 84 HA GLN 12 HA GLN 12 -4.102 12.503 -1.160 85 HB2 GLN 12 1HB GLN 12 -3.113 15.325 -1.520 86 HB3 GLN 12 2HB GLN 12 -4.767 14.934 -1.080 87 HG2 GLN 12 1HG GLN 12 -3.922 13.822 0.955 88 HG3 GLN 12 2HG GLN 12 -2.290 14.338 0.524 89 HE21 GLN 12 1HE2 GLN 12 -2.094 15.581 2.389 90 HE22 GLN 12 2HE2 GLN 12 -2.929 17.083 2.577 91 H ARG 13 H ARG 13 -2.570 13.717 -3.998 92 HA ARG 13 HA ARG 13 -4.884 14.412 -5.482 93 HB2 ARG 13 1HB ARG 13 -2.571 15.109 -6.068 94 HB3 ARG 13 2HB ARG 13 -2.216 13.447 -6.515 95 HG2 ARG 13 1HG ARG 13 -4.157 13.645 -8.152 96 HG3 ARG 13 2HG ARG 13 -4.073 15.389 -7.849 97 HD2 ARG 13 1HD ARG 13 -1.880 13.624 -8.927 98 HD3 ARG 13 2HD ARG 13 -2.782 14.852 -9.812 99 HE ARG 13 HE ARG 13 -1.674 16.245 -7.772 100 HH11 ARG 13 1HH1 ARG 13 -0.365 14.067 -10.179 101 HH12 ARG 13 2HH1 ARG 13 1.183 14.846 -10.230 102 HH21 ARG 13 1HH2 ARG 13 0.353 17.273 -7.824 103 HH22 ARG 13 2HH2 ARG 13 1.590 16.683 -8.887 104 H TYR 14 H TYR 14 -2.828 11.507 -5.451 105 HA TYR 14 HA TYR 14 -4.340 10.010 -7.287 106 HB2 TYR 14 1HB TYR 14 -2.672 8.941 -5.001 107 HB3 TYR 14 2HB TYR 14 -3.150 8.072 -6.450 108 HD1 TYR 14 HD1 TYR 14 -0.338 9.073 -5.098 109 HD2 TYR 14 HD2 TYR 14 -2.609 10.018 -8.572 110 HE1 TYR 14 HE1 TYR 14 1.708 9.818 -6.229 111 HE2 TYR 14 HE2 TYR 14 -0.563 10.758 -9.710 112 HH TYR 14 HH TYR 14 1.708 11.635 -9.028 113 H ARG 15 H ARG 15 -4.492 10.266 -3.782 114 HA ARG 15 HA ARG 15 -6.349 8.224 -3.369 115 HB2 ARG 15 1HB ARG 15 -5.622 8.702 -1.320 116 HB3 ARG 15 2HB ARG 15 -5.078 10.296 -1.810 117 HG2 ARG 15 1HG ARG 15 -7.241 11.236 -1.343 118 HG3 ARG 15 2HG ARG 15 -7.927 9.629 -1.076 119 HD2 ARG 15 1HD ARG 15 -6.451 9.313 0.848 120 HD3 ARG 15 2HD ARG 15 -5.749 10.906 0.580 121 HE ARG 15 HE ARG 15 -8.322 11.521 0.873 122 HH11 ARG 15 1HH1 ARG 15 -6.303 9.325 2.705 123 HH12 ARG 15 2HH1 ARG 15 -7.081 9.677 4.215 124 HH21 ARG 15 1HH2 ARG 15 -9.361 11.974 2.850 125 HH22 ARG 15 2HH2 ARG 15 -8.841 11.172 4.294 126 H THR 16 H THR 16 -6.737 11.629 -4.104 127 HA THR 16 HA THR 16 -9.516 11.791 -3.744 128 HB THR 16 HB THR 16 -7.609 13.373 -5.456 129 HG1 THR 16 HG1 THR 16 -7.254 13.839 -3.355 130 HG21 THR 16 1HG2 THR 16 -9.397 15.036 -5.720 131 HG22 THR 16 2HG2 THR 16 -10.524 13.950 -4.907 132 HG23 THR 16 3HG2 THR 16 -9.831 13.497 -6.467 133 H GLU 17 H GLU 17 -7.569 11.260 -6.699 134 HA GLU 17 HA GLU 17 -9.749 11.085 -8.460 135 HB2 GLU 17 1HB GLU 17 -7.282 9.452 -8.965 136 HB3 GLU 17 2HB GLU 17 -8.273 10.341 -10.099 137 HG2 GLU 17 1HG GLU 17 -7.432 12.453 -9.152 138 HG3 GLU 17 2HG GLU 17 -6.332 11.522 -8.132 139 H CYS 18 H CYS 18 -8.140 8.606 -6.522 140 HA CYS 18 HA CYS 18 -9.607 6.429 -7.627 141 HB2 CYS 18 1HB CYS 18 -8.061 6.671 -5.040 142 HB3 CYS 18 2HB CYS 18 -8.766 5.167 -5.648 143 H VAL 19 H VAL 19 -10.128 8.601 -4.920 144 HA VAL 19 HA VAL 19 -12.249 7.150 -3.753 145 HB VAL 19 HB VAL 19 -11.271 9.967 -3.507 146 HG11 VAL 19 1HG1 VAL 19 -13.067 10.497 -1.944 147 HG12 VAL 19 2HG1 VAL 19 -13.851 8.959 -2.309 148 HG13 VAL 19 3HG1 VAL 19 -13.700 10.192 -3.564 149 HG21 VAL 19 1HG2 VAL 19 -11.719 7.690 -1.581 150 HG22 VAL 19 2HG2 VAL 19 -11.136 9.292 -1.123 151 HG23 VAL 19 3HG2 VAL 19 -10.173 8.276 -2.197 152 H SER 20 H SER 20 -12.149 9.872 -5.985 153 HA SER 20 HA SER 20 -14.967 10.112 -6.188 154 HB2 SER 20 1HB SER 20 -13.122 11.861 -6.633 155 HB3 SER 20 2HB SER 20 -13.013 11.135 -8.236 156 HG SER 20 HG SER 20 -15.229 11.620 -8.534 157 H SER 21 H SER 21 -12.705 7.993 -7.766 158 HA SER 21 HA SER 21 -14.486 7.535 -10.029 159 HB2 SER 21 1HB SER 21 -12.724 5.940 -10.770 160 HB3 SER 21 2HB SER 21 -12.108 7.569 -10.503 161 HG SER 21 HG SER 21 -10.875 5.709 -9.601 162 H LEU 22 H LEU 22 -13.179 5.712 -7.261 163 HA LEU 22 HA LEU 22 -14.746 3.384 -7.913 164 HB2 LEU 22 1HB LEU 22 -13.005 4.071 -5.545 165 HB3 LEU 22 2HB LEU 22 -13.807 2.512 -5.754 166 HG LEU 22 HG LEU 22 -11.842 3.638 -7.743 167 HD11 LEU 22 1HD1 LEU 22 -10.696 3.336 -5.633 168 HD12 LEU 22 2HD1 LEU 22 -10.230 2.053 -6.750 169 HD13 LEU 22 3HD1 LEU 22 -11.389 1.725 -5.460 170 HD21 LEU 22 1HD2 LEU 22 -12.879 0.846 -7.302 171 HD22 LEU 22 2HD2 LEU 22 -11.769 1.374 -8.569 172 HD23 LEU 22 3HD2 LEU 22 -13.436 1.950 -8.560 173 H ASN 23 H ASN 23 -15.790 6.173 -6.926 174 HA ASN 23 HA ASN 23 -17.528 7.017 -5.728 175 HB2 ASN 23 1HB ASN 23 -18.528 4.168 -5.826 176 HB3 ASN 23 2HB ASN 23 -19.489 5.582 -5.446 177 HD21 ASN 23 1HD2 ASN 23 -18.067 3.693 -7.927 178 HD22 ASN 23 2HD2 ASN 23 -18.722 4.577 -9.267 179 H ILE 24 H ILE 24 -15.244 6.184 -4.212 180 HA ILE 24 HA ILE 24 -15.934 4.729 -1.905 181 HB ILE 24 HB ILE 24 -13.823 6.878 -2.102 182 HG12 ILE 24 1HG1 ILE 24 -13.569 5.222 -3.925 183 HG13 ILE 24 2HG1 ILE 24 -12.259 5.115 -2.755 184 HG21 ILE 24 1HG2 ILE 24 -14.284 6.180 0.170 185 HG22 ILE 24 2HG2 ILE 24 -12.712 5.564 -0.338 186 HG23 ILE 24 3HG2 ILE 24 -14.106 4.485 -0.285 187 HD11 ILE 24 1HD1 ILE 24 -13.010 2.921 -3.483 188 HD12 ILE 24 2HD1 ILE 24 -14.638 3.279 -2.908 189 HD13 ILE 24 3HD1 ILE 24 -13.305 3.154 -1.758 190 HA PRO 25 HA PRO 25 -18.621 7.797 -0.041 191 HB2 PRO 25 1HB PRO 25 -18.378 6.033 2.298 192 HB3 PRO 25 2HB PRO 25 -19.817 6.531 1.406 193 HG2 PRO 25 1HG PRO 25 -18.837 4.038 1.262 194 HG3 PRO 25 2HG PRO 25 -19.638 4.830 -0.106 195 HD2 PRO 25 1HD PRO 25 -16.724 4.376 0.382 196 HD3 PRO 25 2HD PRO 25 -17.643 4.326 -1.144 197 H ALA 26 H ALA 26 -18.309 9.475 1.274 198 HA ALA 26 HA ALA 26 -15.752 10.278 2.026 199 HB1 ALA 26 1HB ALA 26 -18.383 11.229 3.138 200 HB2 ALA 26 2HB ALA 26 -17.635 11.799 1.647 201 HB3 ALA 26 3HB ALA 26 -16.851 12.100 3.200 202 H ASP 27 H ASP 27 -18.149 8.449 3.753 203 HA ASP 27 HA ASP 27 -17.318 8.566 6.376 204 HB2 ASP 27 1HB ASP 27 -19.281 7.320 5.653 205 HB3 ASP 27 2HB ASP 27 -18.262 6.145 4.832 206 H TYR 28 H TYR 28 -16.196 6.213 3.941 207 HA TYR 28 HA TYR 28 -14.153 5.127 5.515 208 HB2 TYR 28 1HB TYR 28 -14.715 5.154 2.568 209 HB3 TYR 28 2HB TYR 28 -13.234 4.419 3.185 210 HD1 TYR 28 HD1 TYR 28 -16.923 4.249 3.235 211 HD2 TYR 28 HD2 TYR 28 -13.295 2.281 4.267 212 HE1 TYR 28 HE1 TYR 28 -18.180 2.189 3.700 213 HE2 TYR 28 HE2 TYR 28 -14.543 0.216 4.737 214 HH TYR 28 HH TYR 28 -17.723 -0.271 3.767 215 H VAL 29 H VAL 29 -14.206 7.811 3.244 216 HA VAL 29 HA VAL 29 -11.472 8.254 2.952 217 HB VAL 29 HB VAL 29 -13.669 10.308 2.950 218 HG11 VAL 29 1HG1 VAL 29 -11.487 11.332 3.115 219 HG12 VAL 29 2HG1 VAL 29 -12.142 11.577 1.495 220 HG13 VAL 29 3HG1 VAL 29 -10.902 10.351 1.773 221 HG21 VAL 29 1HG2 VAL 29 -13.666 9.963 0.513 222 HG22 VAL 29 2HG2 VAL 29 -14.138 8.511 1.397 223 HG23 VAL 29 3HG2 VAL 29 -12.513 8.643 0.723 224 H GLU 30 H GLU 30 -13.741 9.480 5.399 225 HA GLU 30 HA GLU 30 -11.923 11.139 6.745 226 HB2 GLU 30 1HB GLU 30 -13.922 11.654 7.580 227 HB3 GLU 30 2HB GLU 30 -14.593 10.062 7.248 228 HG2 GLU 30 1HG GLU 30 -13.655 9.222 9.306 229 HG3 GLU 30 2HG GLU 30 -12.827 10.753 9.580 230 H LYS 31 H LYS 31 -12.619 7.717 6.997 231 HA LYS 31 HA LYS 31 -11.112 7.168 9.322 232 HB2 LYS 31 1HB LYS 31 -11.761 5.348 6.997 233 HB3 LYS 31 2HB LYS 31 -11.118 4.831 8.560 234 HG2 LYS 31 1HG LYS 31 -13.146 5.820 9.626 235 HG3 LYS 31 2HG LYS 31 -13.798 6.075 8.006 236 HD2 LYS 31 1HD LYS 31 -13.563 3.643 7.573 237 HD3 LYS 31 2HD LYS 31 -13.037 3.430 9.255 238 HE2 LYS 31 1HE LYS 31 -15.215 4.475 9.964 239 HE3 LYS 31 2HE LYS 31 -15.725 4.410 8.278 240 HZ1 LYS 31 1HZ LYS 31 -14.993 2.088 9.978 241 HZ2 LYS 31 2HZ LYS 31 -15.431 1.996 8.348 242 HZ3 LYS 31 3HZ LYS 31 -16.554 2.520 9.494 243 H PHE 32 H PHE 32 -10.293 7.017 5.875 244 HA PHE 32 HA PHE 32 -7.685 6.072 6.123 245 HB2 PHE 32 1HB PHE 32 -8.676 7.996 4.017 246 HB3 PHE 32 2HB PHE 32 -7.304 6.902 3.884 247 HD1 PHE 32 HD1 PHE 32 -9.856 7.219 2.119 248 HD2 PHE 32 HD2 PHE 32 -8.716 4.506 5.190 249 HE1 PHE 32 HE1 PHE 32 -11.339 5.509 1.157 250 HE2 PHE 32 HE2 PHE 32 -10.193 2.796 4.228 251 HZ PHE 32 HZ PHE 32 -11.504 3.291 2.207 252 H LYS 33 H LYS 33 -8.995 9.260 6.570 253 HA LYS 33 HA LYS 33 -6.606 10.760 6.485 254 HB2 LYS 33 1HB LYS 33 -9.038 11.601 6.524 255 HB3 LYS 33 2HB LYS 33 -8.951 11.382 8.271 256 HG2 LYS 33 1HG LYS 33 -7.111 12.928 8.422 257 HG3 LYS 33 2HG LYS 33 -7.097 13.114 6.663 258 HD2 LYS 33 1HD LYS 33 -9.381 14.029 6.766 259 HD3 LYS 33 2HD LYS 33 -9.341 13.889 8.526 260 HE2 LYS 33 1HE LYS 33 -8.835 16.164 7.852 261 HE3 LYS 33 2HE LYS 33 -7.421 15.418 8.592 262 HZ1 LYS 33 1HZ LYS 33 -6.828 16.656 6.609 263 HZ2 LYS 33 2HZ LYS 33 -7.888 15.728 5.676 264 HZ3 LYS 33 3HZ LYS 33 -6.529 15.007 6.381 265 H LYS 34 H LYS 34 -8.097 8.793 8.967 266 HA LYS 34 HA LYS 34 -6.017 9.565 10.879 267 HB2 LYS 34 1HB LYS 34 -8.530 7.921 11.240 268 HB3 LYS 34 2HB LYS 34 -7.382 8.268 12.525 269 HG2 LYS 34 1HG LYS 34 -8.990 10.302 10.994 270 HG3 LYS 34 2HG LYS 34 -9.331 9.727 12.625 271 HD2 LYS 34 1HD LYS 34 -7.183 10.629 13.386 272 HD3 LYS 34 2HD LYS 34 -6.851 11.210 11.754 273 HE2 LYS 34 1HE LYS 34 -7.702 12.983 13.239 274 HE3 LYS 34 2HE LYS 34 -8.751 12.697 11.852 275 HZ1 LYS 34 1HZ LYS 34 -9.191 11.653 14.596 276 HZ2 LYS 34 2HZ LYS 34 -10.199 11.381 13.267 277 HZ3 LYS 34 3HZ LYS 34 -10.023 12.942 13.886 278 H TRP 35 H TRP 35 -5.589 7.887 8.490 279 HA TRP 35 HA TRP 35 -4.759 5.912 7.767 280 HB2 TRP 35 1HB TRP 35 -3.439 6.168 10.463 281 HB3 TRP 35 2HB TRP 35 -2.966 4.962 9.258 282 HD1 TRP 35 HD1 TRP 35 -2.928 8.736 9.895 283 HE1 TRP 35 HE1 TRP 35 -1.203 9.827 8.331 284 HE3 TRP 35 HE3 TRP 35 -1.768 4.677 7.017 285 HZ2 TRP 35 HZ2 TRP 35 0.429 9.066 6.169 286 HZ3 TRP 35 HZ3 TRP 35 -0.118 4.943 5.220 287 HH2 TRP 35 HH2 TRP 35 0.964 7.084 4.801 288 H GLU 36 H GLU 36 -7.312 5.564 8.759 289 HA GLU 36 HA GLU 36 -7.157 2.902 9.982 290 HB2 GLU 36 1HB GLU 36 -8.490 4.647 11.176 291 HB3 GLU 36 2HB GLU 36 -9.558 4.697 9.787 292 HG2 GLU 36 1HG GLU 36 -10.515 3.313 11.514 293 HG3 GLU 36 2HG GLU 36 -10.092 2.335 10.111 294 H PHE 37 H PHE 37 -7.158 1.408 8.486 295 HA PHE 37 HA PHE 37 -8.864 1.765 6.115 296 HB2 PHE 37 1HB PHE 37 -6.370 0.056 6.356 297 HB3 PHE 37 2HB PHE 37 -7.289 0.359 4.886 298 HD1 PHE 37 HD1 PHE 37 -6.969 2.365 3.620 299 HD2 PHE 37 HD2 PHE 37 -5.052 1.856 7.388 300 HE1 PHE 37 HE1 PHE 37 -5.555 4.324 3.164 301 HE2 PHE 37 HE2 PHE 37 -3.632 3.809 6.932 302 HZ PHE 37 HZ PHE 37 -3.884 5.049 4.820 303 HA PRO 38 HA PRO 38 -10.953 -1.648 8.406 304 HB2 PRO 38 1HB PRO 38 -12.940 -0.942 6.309 305 HB3 PRO 38 2HB PRO 38 -13.171 -1.230 8.043 306 HG2 PRO 38 1HG PRO 38 -13.255 1.244 7.096 307 HG3 PRO 38 2HG PRO 38 -12.429 0.895 8.626 308 HD2 PRO 38 1HD PRO 38 -11.241 1.359 5.907 309 HD3 PRO 38 2HD PRO 38 -10.691 1.955 7.502 310 H GLU 39 H GLU 39 -11.237 -3.730 7.838 311 HA GLU 39 HA GLU 39 -10.039 -4.586 5.369 312 HB2 GLU 39 1HB GLU 39 -9.641 -5.705 7.556 313 HB3 GLU 39 2HB GLU 39 -11.314 -6.239 7.551 314 HG2 GLU 39 1HG GLU 39 -10.937 -7.615 5.640 315 HG3 GLU 39 2HG GLU 39 -9.318 -6.951 5.415 316 H ASP 40 H ASP 40 -11.605 -3.600 3.990 317 HA ASP 40 HA ASP 40 -13.952 -5.272 3.522 318 HB2 ASP 40 1HB ASP 40 -14.858 -3.541 4.969 319 HB3 ASP 40 2HB ASP 40 -14.133 -2.279 3.974 320 H ASP 41 H ASP 41 -14.758 -5.172 1.412 321 HA ASP 41 HA ASP 41 -12.954 -5.103 -0.632 322 HB2 ASP 41 1HB ASP 41 -15.892 -4.420 -0.883 323 HB3 ASP 41 2HB ASP 41 -14.843 -4.969 -2.184 324 H THR 42 H THR 42 -15.091 -2.446 0.324 325 HA THR 42 HA THR 42 -14.610 -0.618 -1.678 326 HB THR 42 HB THR 42 -14.913 0.086 1.235 327 HG1 THR 42 HG1 THR 42 -16.591 -1.252 0.965 328 HG21 THR 42 1HG2 THR 42 -16.212 1.978 0.299 329 HG22 THR 42 2HG2 THR 42 -15.751 1.448 -1.319 330 HG23 THR 42 3HG2 THR 42 -14.516 1.991 -0.182 331 H THR 43 H THR 43 -12.963 -0.723 1.470 332 HA THR 43 HA THR 43 -11.006 1.196 0.961 333 HB THR 43 HB THR 43 -10.765 -1.220 2.757 334 HG1 THR 43 HG1 THR 43 -11.523 0.496 4.328 335 HG21 THR 43 1HG2 THR 43 -9.329 0.326 4.103 336 HG22 THR 43 2HG2 THR 43 -9.402 1.472 2.763 337 HG23 THR 43 3HG2 THR 43 -8.652 -0.105 2.533 338 H MET 44 H MET 44 -11.154 -2.207 0.188 339 HA MET 44 HA MET 44 -8.386 -2.605 -0.204 340 HB2 MET 44 1HB MET 44 -10.746 -4.158 -1.255 341 HB3 MET 44 2HB MET 44 -9.076 -4.707 -1.321 342 HG2 MET 44 1HG MET 44 -8.974 -4.686 1.113 343 HG3 MET 44 2HG MET 44 -10.637 -4.114 1.179 344 HE1 MET 44 1HE MET 44 -10.961 -7.749 2.502 345 HE2 MET 44 2HE MET 44 -11.238 -6.035 2.822 346 HE3 MET 44 3HE MET 44 -9.591 -6.666 2.764 347 H CYS 45 H CYS 45 -11.045 -2.121 -2.537 348 HA CYS 45 HA CYS 45 -9.351 -2.063 -4.803 349 HB2 CYS 45 1HB CYS 45 -12.112 -0.894 -4.402 350 HB3 CYS 45 2HB CYS 45 -11.274 -0.923 -5.946 351 H TYR 46 H TYR 46 -10.345 0.379 -2.505 352 HA TYR 46 HA TYR 46 -9.471 2.656 -3.858 353 HB2 TYR 46 1HB TYR 46 -10.733 3.039 -1.920 354 HB3 TYR 46 2HB TYR 46 -9.744 1.952 -0.946 355 HD1 TYR 46 HD1 TYR 46 -9.427 5.137 -2.888 356 HD2 TYR 46 HD2 TYR 46 -8.235 2.893 0.527 357 HE1 TYR 46 HE1 TYR 46 -8.127 7.058 -2.077 358 HE2 TYR 46 HE2 TYR 46 -6.936 4.812 1.342 359 HH TYR 46 HH TYR 46 -6.042 6.840 0.734 360 H ILE 47 H ILE 47 -7.756 0.584 -1.535 361 HA ILE 47 HA ILE 47 -5.270 1.843 -1.687 362 HB ILE 47 HB ILE 47 -5.978 -1.010 -1.038 363 HG12 ILE 47 1HG1 ILE 47 -6.847 0.621 0.549 364 HG13 ILE 47 2HG1 ILE 47 -5.532 -0.280 1.296 365 HG21 ILE 47 1HG2 ILE 47 -3.306 0.361 -0.782 366 HG22 ILE 47 2HG2 ILE 47 -3.698 -1.019 -1.809 367 HG23 ILE 47 3HG2 ILE 47 -3.712 -1.193 -0.053 368 HD11 ILE 47 1HD1 ILE 47 -4.033 1.662 0.698 369 HD12 ILE 47 2HD1 ILE 47 -5.258 1.973 1.925 370 HD13 ILE 47 3HD1 ILE 47 -5.502 2.548 0.277 371 H LYS 48 H LYS 48 -6.695 -0.718 -3.647 372 HA LYS 48 HA LYS 48 -4.388 -1.435 -5.063 373 HB2 LYS 48 1HB LYS 48 -6.567 -2.702 -4.990 374 HB3 LYS 48 2HB LYS 48 -7.220 -1.525 -6.115 375 HG2 LYS 48 1HG LYS 48 -4.730 -3.046 -6.778 376 HG3 LYS 48 2HG LYS 48 -6.319 -3.772 -7.012 377 HD2 LYS 48 1HD LYS 48 -6.952 -1.968 -8.507 378 HD3 LYS 48 2HD LYS 48 -5.413 -1.156 -8.215 379 HE2 LYS 48 1HE LYS 48 -4.203 -2.944 -9.261 380 HE3 LYS 48 2HE LYS 48 -5.666 -3.917 -9.393 381 HZ1 LYS 48 1HZ LYS 48 -5.116 -2.911 -11.499 382 HZ2 LYS 48 2HZ LYS 48 -5.147 -1.359 -10.808 383 HZ3 LYS 48 3HZ LYS 48 -6.570 -2.264 -10.913 384 H CYS 49 H CYS 49 -7.039 0.776 -5.960 385 HA CYS 49 HA CYS 49 -5.997 1.682 -8.354 386 HB2 CYS 49 1HB CYS 49 -8.225 2.244 -7.807 387 HB3 CYS 49 2HB CYS 49 -7.751 3.078 -6.330 388 H VAL 50 H VAL 50 -5.458 2.977 -5.082 389 HA VAL 50 HA VAL 50 -3.903 5.172 -5.847 390 HB VAL 50 HB VAL 50 -4.018 3.659 -3.244 391 HG11 VAL 50 1HG1 VAL 50 -2.715 6.304 -3.870 392 HG12 VAL 50 2HG1 VAL 50 -1.910 4.829 -3.329 393 HG13 VAL 50 3HG1 VAL 50 -3.010 5.686 -2.246 394 HG21 VAL 50 1HG2 VAL 50 -6.108 4.652 -3.775 395 HG22 VAL 50 2HG2 VAL 50 -5.333 6.164 -4.243 396 HG23 VAL 50 3HG2 VAL 50 -5.335 5.661 -2.551 397 H PHE 51 H PHE 51 -3.006 1.922 -4.784 398 HA PHE 51 HA PHE 51 -0.227 2.335 -4.815 399 HB2 PHE 51 1HB PHE 51 -2.044 -0.016 -4.691 400 HB3 PHE 51 2HB PHE 51 -0.363 -0.318 -5.125 401 HD1 PHE 51 HD1 PHE 51 -1.446 2.360 -2.837 402 HD2 PHE 51 HD2 PHE 51 0.183 -1.561 -3.166 403 HE1 PHE 51 HE1 PHE 51 -0.874 2.400 -0.446 404 HE2 PHE 51 HE2 PHE 51 0.757 -1.524 -0.775 405 HZ PHE 51 HZ PHE 51 0.230 0.456 0.587 406 H ASN 52 H ASN 52 -2.535 1.584 -7.270 407 HA ASN 52 HA ASN 52 -0.607 0.766 -9.251 408 HB2 ASN 52 1HB ASN 52 -2.969 -0.020 -9.259 409 HB3 ASN 52 2HB ASN 52 -3.497 1.634 -9.585 410 HD21 ASN 52 1HD2 ASN 52 -0.669 0.041 -10.974 411 HD22 ASN 52 2HD2 ASN 52 -1.256 0.042 -12.598 412 H LYS 53 H LYS 53 -2.356 3.671 -8.366 413 HA LYS 53 HA LYS 53 -1.634 5.331 -10.514 414 HB2 LYS 53 1HB LYS 53 -2.405 5.847 -7.657 415 HB3 LYS 53 2HB LYS 53 -1.994 7.171 -8.738 416 HG2 LYS 53 1HG LYS 53 -4.105 5.192 -9.496 417 HG3 LYS 53 2HG LYS 53 -4.468 6.509 -8.381 418 HD2 LYS 53 1HD LYS 53 -3.620 8.104 -10.095 419 HD3 LYS 53 2HD LYS 53 -3.452 6.744 -11.209 420 HE2 LYS 53 1HE LYS 53 -5.804 6.315 -11.146 421 HE3 LYS 53 2HE LYS 53 -6.034 7.488 -9.850 422 HZ1 LYS 53 1HZ LYS 53 -5.149 8.118 -12.610 423 HZ2 LYS 53 2HZ LYS 53 -5.378 9.246 -11.364 424 HZ3 LYS 53 3HZ LYS 53 -6.698 8.386 -11.985 425 H MET 54 H MET 54 -0.047 4.508 -7.504 426 HA MET 54 HA MET 54 2.024 6.504 -7.844 427 HB2 MET 54 1HB MET 54 1.526 4.404 -5.731 428 HB3 MET 54 2HB MET 54 2.889 5.521 -5.698 429 HG2 MET 54 1HG MET 54 1.529 7.354 -5.322 430 HG3 MET 54 2HG MET 54 0.083 6.533 -5.899 431 HE1 MET 54 1HE MET 54 2.414 7.300 -2.947 432 HE2 MET 54 2HE MET 54 2.902 5.627 -3.211 433 HE3 MET 54 3HE MET 54 2.014 6.070 -1.753 434 H GLN 55 H GLN 55 1.536 3.817 -9.430 435 HA GLN 55 HA GLN 55 2.698 2.154 -10.385 436 HB2 GLN 55 1HB GLN 55 4.614 4.422 -10.254 437 HB3 GLN 55 2HB GLN 55 5.204 2.861 -10.833 438 HG2 GLN 55 1HG GLN 55 2.762 4.204 -11.944 439 HG3 GLN 55 2HG GLN 55 4.379 4.510 -12.565 440 HE21 GLN 55 1HE2 GLN 55 3.768 3.691 -14.576 441 HE22 GLN 55 2HE2 GLN 55 3.609 1.994 -14.858 442 H LEU 56 H LEU 56 2.323 1.571 -7.836 443 HA LEU 56 HA LEU 56 4.906 0.657 -6.805 444 HB2 LEU 56 1HB LEU 56 2.609 1.989 -5.559 445 HB3 LEU 56 2HB LEU 56 3.215 0.612 -4.630 446 HG LEU 56 HG LEU 56 4.808 3.018 -5.525 447 HD11 LEU 56 1HD1 LEU 56 3.818 2.236 -2.787 448 HD12 LEU 56 2HD1 LEU 56 3.176 3.543 -3.776 449 HD13 LEU 56 3HD1 LEU 56 4.828 3.627 -3.167 450 HD21 LEU 56 1HD2 LEU 56 6.501 2.090 -3.938 451 HD22 LEU 56 2HD2 LEU 56 6.271 1.138 -5.405 452 HD23 LEU 56 3HD2 LEU 56 5.547 0.609 -3.886 453 H PHE 57 H PHE 57 1.877 -0.243 -7.983 454 HA PHE 57 HA PHE 57 2.332 -3.040 -7.289 455 HB2 PHE 57 1HB PHE 57 0.791 -2.321 -5.561 456 HB3 PHE 57 2HB PHE 57 -0.240 -1.528 -6.740 457 HD1 PHE 57 HD1 PHE 57 -1.850 -2.755 -8.003 458 HD2 PHE 57 HD2 PHE 57 0.849 -4.770 -5.397 459 HE1 PHE 57 HE1 PHE 57 -3.210 -4.795 -8.179 460 HE2 PHE 57 HE2 PHE 57 -0.507 -6.815 -5.574 461 HZ PHE 57 HZ PHE 57 -2.538 -6.825 -6.965 462 H ASP 58 H ASP 58 1.993 -4.325 -8.968 463 HA ASP 58 HA ASP 58 0.641 -3.207 -11.334 464 HB2 ASP 58 1HB ASP 58 2.975 -3.601 -11.815 465 HB3 ASP 58 2HB ASP 58 2.891 -5.227 -11.140 466 H ASP 59 H ASP 59 -0.725 -4.525 -12.517 467 HA ASP 59 HA ASP 59 -2.410 -6.160 -10.931 468 HB2 ASP 59 1HB ASP 59 -2.364 -5.747 -13.921 469 HB3 ASP 59 2HB ASP 59 -3.667 -6.495 -13.023 470 H THR 60 H THR 60 0.340 -6.877 -12.847 471 HA THR 60 HA THR 60 -0.380 -9.708 -12.982 472 HB THR 60 HB THR 60 1.725 -8.095 -14.400 473 HG1 THR 60 HG1 THR 60 -0.729 -9.300 -15.071 474 HG21 THR 60 1HG2 THR 60 2.711 -10.243 -13.856 475 HG22 THR 60 2HG2 THR 60 2.338 -10.169 -15.578 476 HG23 THR 60 3HG2 THR 60 1.293 -11.082 -14.488 477 H GLU 61 H GLU 61 2.643 -7.867 -12.357 478 HA GLU 61 HA GLU 61 3.852 -10.059 -11.000 479 HB2 GLU 61 1HB GLU 61 4.742 -7.196 -10.760 480 HB3 GLU 61 2HB GLU 61 5.703 -8.664 -10.659 481 HG2 GLU 61 1HG GLU 61 5.311 -9.091 -13.025 482 HG3 GLU 61 2HG GLU 61 4.380 -7.600 -13.128 483 H GLY 62 H GLY 62 1.706 -7.592 -9.963 484 HA2 GLY 62 1HA GLY 62 0.752 -7.332 -7.854 485 HA3 GLY 62 2HA GLY 62 1.925 -8.486 -7.215 486 HA PRO 63 HA PRO 63 3.335 -4.560 -5.441 487 HB2 PRO 63 1HB PRO 63 5.036 -5.727 -3.621 488 HB3 PRO 63 2HB PRO 63 3.306 -5.471 -3.350 489 HG2 PRO 63 1HG PRO 63 4.759 -7.936 -4.168 490 HG3 PRO 63 2HG PRO 63 3.385 -7.757 -3.070 491 HD2 PRO 63 1HD PRO 63 3.159 -8.638 -5.622 492 HD3 PRO 63 2HD PRO 63 1.859 -7.749 -4.793 493 H LEU 64 H LEU 64 4.785 -3.399 -6.456 494 HA LEU 64 HA LEU 64 7.011 -4.648 -7.821 495 HB2 LEU 64 1HB LEU 64 6.322 -1.713 -7.639 496 HB3 LEU 64 2HB LEU 64 7.438 -2.466 -8.761 497 HG LEU 64 HG LEU 64 4.479 -3.032 -8.714 498 HD11 LEU 64 1HD1 LEU 64 4.391 -1.726 -10.783 499 HD12 LEU 64 2HD1 LEU 64 6.087 -1.292 -10.578 500 HD13 LEU 64 3HD1 LEU 64 4.888 -0.737 -9.412 501 HD21 LEU 64 1HD2 LEU 64 4.918 -4.141 -10.835 502 HD22 LEU 64 2HD2 LEU 64 5.856 -4.870 -9.530 503 HD23 LEU 64 3HD2 LEU 64 6.637 -3.781 -10.674 504 H VAL 65 H VAL 65 8.356 -5.376 -6.331 505 HA VAL 65 HA VAL 65 8.959 -4.360 -3.867 506 HB VAL 65 HB VAL 65 10.714 -6.005 -5.669 507 HG11 VAL 65 1HG1 VAL 65 11.887 -6.693 -3.638 508 HG12 VAL 65 2HG1 VAL 65 10.918 -5.560 -2.694 509 HG13 VAL 65 3HG1 VAL 65 12.041 -4.957 -3.914 510 HG21 VAL 65 1HG2 VAL 65 9.860 -7.870 -4.270 511 HG22 VAL 65 2HG2 VAL 65 8.619 -7.080 -5.240 512 HG23 VAL 65 3HG2 VAL 65 8.743 -6.730 -3.517 513 H ASP 66 H ASP 66 10.697 -3.716 -6.912 514 HA ASP 66 HA ASP 66 12.844 -2.338 -5.749 515 HB2 ASP 66 1HB ASP 66 12.901 -3.165 -8.041 516 HB3 ASP 66 2HB ASP 66 11.674 -1.994 -8.510 517 H ASN 67 H ASN 67 9.886 -1.017 -7.268 518 HA ASN 67 HA ASN 67 10.426 1.668 -6.610 519 HB2 ASN 67 1HB ASN 67 7.853 0.240 -7.250 520 HB3 ASN 67 2HB ASN 67 7.925 1.965 -6.929 521 HD21 ASN 67 1HD2 ASN 67 7.211 2.468 -8.976 522 HD22 ASN 67 2HD2 ASN 67 8.219 2.303 -10.375 523 H LEU 68 H LEU 68 8.881 -0.944 -4.904 524 HA LEU 68 HA LEU 68 7.735 0.504 -2.799 525 HB2 LEU 68 1HB LEU 68 8.613 -2.326 -3.165 526 HB3 LEU 68 2HB LEU 68 8.147 -1.769 -1.566 527 HG LEU 68 HG LEU 68 6.352 -1.439 -3.955 528 HD11 LEU 68 1HD1 LEU 68 6.879 -3.820 -3.678 529 HD12 LEU 68 2HD1 LEU 68 5.200 -3.463 -3.276 530 HD13 LEU 68 3HD1 LEU 68 6.379 -3.724 -1.989 531 HD21 LEU 68 1HD2 LEU 68 5.880 -0.054 -2.001 532 HD22 LEU 68 2HD2 LEU 68 5.830 -1.497 -0.990 533 HD23 LEU 68 3HD2 LEU 68 4.623 -1.263 -2.253 534 H VAL 69 H VAL 69 10.924 -1.024 -3.090 535 HA VAL 69 HA VAL 69 11.887 -0.215 -0.556 536 HB VAL 69 HB VAL 69 13.412 -0.855 -3.076 537 HG11 VAL 69 1HG1 VAL 69 14.812 0.401 -1.570 538 HG12 VAL 69 2HG1 VAL 69 15.294 -1.296 -1.529 539 HG13 VAL 69 3HG1 VAL 69 14.326 -0.619 -0.217 540 HG21 VAL 69 1HG2 VAL 69 11.975 -2.673 -2.261 541 HG22 VAL 69 2HG2 VAL 69 12.774 -2.576 -0.690 542 HG23 VAL 69 3HG2 VAL 69 13.690 -3.057 -2.118 543 H HIS 70 H HIS 70 12.172 1.255 -3.792 544 HA HIS 70 HA HIS 70 13.796 3.416 -3.062 545 HB2 HIS 70 1HB HIS 70 11.812 3.008 -5.269 546 HB3 HIS 70 2HB HIS 70 12.544 4.589 -5.027 547 HD1 HIS 70 HD1 HIS 70 14.964 4.896 -5.750 548 HD2 HIS 70 HD2 HIS 70 13.615 0.987 -6.151 549 HE1 HIS 70 HE1 HIS 70 16.706 3.719 -7.123 550 HE2 HIS 70 HE2 HIS 70 15.759 1.424 -7.528 551 H GLN 71 H GLN 71 10.406 2.884 -2.657 552 HA GLN 71 HA GLN 71 9.806 5.642 -1.986 553 HB2 GLN 71 1HB GLN 71 8.243 4.028 -3.192 554 HB3 GLN 71 2HB GLN 71 8.032 3.228 -1.639 555 HG2 GLN 71 1HG GLN 71 6.200 4.690 -1.963 556 HG3 GLN 71 2HG GLN 71 7.228 5.366 -0.701 557 HE21 GLN 71 1HE2 GLN 71 6.430 7.424 -0.984 558 HE22 GLN 71 2HE2 GLN 71 6.817 8.386 -2.360 559 H LEU 72 H LEU 72 9.504 2.526 -0.302 560 HA LEU 72 HA LEU 72 8.857 3.694 2.172 561 HB2 LEU 72 1HB LEU 72 9.762 0.914 1.464 562 HB3 LEU 72 2HB LEU 72 9.287 1.383 3.083 563 HG LEU 72 HG LEU 72 7.484 1.587 0.670 564 HD11 LEU 72 1HD1 LEU 72 7.594 -0.523 2.828 565 HD12 LEU 72 2HD1 LEU 72 8.034 -0.746 1.134 566 HD13 LEU 72 3HD1 LEU 72 6.361 -0.398 1.572 567 HD21 LEU 72 1HD2 LEU 72 6.984 1.879 3.630 568 HD22 LEU 72 2HD2 LEU 72 5.714 1.747 2.414 569 HD23 LEU 72 3HD2 LEU 72 6.817 3.125 2.389 570 H ALA 73 H ALA 73 11.936 2.449 0.910 571 HA ALA 73 HA ALA 73 13.301 2.754 3.402 572 HB1 ALA 73 1HB ALA 73 14.473 2.420 0.657 573 HB2 ALA 73 2HB ALA 73 13.936 1.102 1.695 574 HB3 ALA 73 3HB ALA 73 15.280 2.130 2.199 575 H HIS 74 H HIS 74 11.995 5.160 2.502 576 HA HIS 74 HA HIS 74 13.985 6.986 1.550 577 HB2 HIS 74 1HB HIS 74 11.507 7.287 1.204 578 HB3 HIS 74 2HB HIS 74 11.359 7.626 2.927 579 HD1 HIS 74 HD1 HIS 74 11.468 10.022 3.530 580 HD2 HIS 74 HD2 HIS 74 13.317 9.255 -0.118 581 HE1 HIS 74 HE1 HIS 74 12.141 12.266 2.626 582 HE2 HIS 74 HE2 HIS 74 13.065 11.785 0.334 583 H GLY 75 H GLY 75 15.705 6.670 2.982 584 HA2 GLY 75 1HA GLY 75 16.887 7.819 4.710 585 HA3 GLY 75 2HA GLY 75 15.366 8.042 5.559 586 H ARG 76 H ARG 76 16.078 4.935 4.201 587 HA ARG 76 HA ARG 76 17.133 3.924 6.722 588 HB2 ARG 76 1HB ARG 76 14.422 3.370 5.707 589 HB3 ARG 76 2HB ARG 76 15.325 1.965 6.253 590 HG2 ARG 76 1HG ARG 76 15.747 3.328 8.384 591 HG3 ARG 76 2HG ARG 76 14.425 4.352 7.819 592 HD2 ARG 76 1HD ARG 76 13.014 2.321 7.647 593 HD3 ARG 76 2HD ARG 76 14.321 1.392 8.362 594 HE ARG 76 HE ARG 76 13.578 3.616 9.980 595 HH11 ARG 76 1HH1 ARG 76 12.693 0.338 9.118 596 HH12 ARG 76 2HH1 ARG 76 11.867 0.037 10.611 597 HH21 ARG 76 1HH2 ARG 76 12.496 3.217 11.949 598 HH22 ARG 76 2HH2 ARG 76 11.743 1.677 12.216 599 H ASP 77 H ASP 77 17.781 1.633 6.562 600 HA ASP 77 HA ASP 77 19.319 1.036 4.311 601 HB2 ASP 77 1HB ASP 77 18.293 -0.754 6.515 602 HB3 ASP 77 2HB ASP 77 19.453 -1.270 5.296 603 H ALA 78 H ALA 78 18.551 0.748 2.393 604 HA ALA 78 HA ALA 78 15.990 0.046 1.628 605 HB1 ALA 78 1HB ALA 78 17.656 1.137 0.202 606 HB2 ALA 78 2HB ALA 78 16.903 -0.248 -0.585 607 HB3 ALA 78 3HB ALA 78 18.528 -0.389 0.079 608 H GLU 79 H GLU 79 18.764 -2.045 2.205 609 HA GLU 79 HA GLU 79 17.713 -4.386 1.055 610 HB2 GLU 79 1HB GLU 79 19.767 -3.965 3.212 611 HB3 GLU 79 2HB GLU 79 19.363 -5.552 2.573 612 HG2 GLU 79 1HG GLU 79 20.016 -4.816 0.339 613 HG3 GLU 79 2HG GLU 79 20.442 -3.235 0.989 614 H GLU 80 H GLU 80 17.648 -3.231 4.416 615 HA GLU 80 HA GLU 80 16.213 -5.403 5.480 616 HB2 GLU 80 1HB GLU 80 16.484 -2.536 6.357 617 HB3 GLU 80 2HB GLU 80 15.619 -3.747 7.296 618 HG2 GLU 80 1HG GLU 80 18.509 -3.948 6.491 619 HG3 GLU 80 2HG GLU 80 17.939 -3.374 8.051 620 H VAL 81 H VAL 81 15.193 -2.295 4.158 621 HA VAL 81 HA VAL 81 12.444 -2.539 4.549 622 HB VAL 81 HB VAL 81 13.997 -1.086 2.424 623 HG11 VAL 81 1HG1 VAL 81 11.754 -1.443 1.580 624 HG12 VAL 81 2HG1 VAL 81 11.929 0.237 2.088 625 HG13 VAL 81 3HG1 VAL 81 11.065 -0.911 3.112 626 HG21 VAL 81 1HG2 VAL 81 13.479 0.847 3.840 627 HG22 VAL 81 2HG2 VAL 81 14.441 -0.371 4.670 628 HG23 VAL 81 3HG2 VAL 81 12.714 -0.233 5.003 629 H ARG 82 H ARG 82 14.408 -3.421 1.698 630 HA ARG 82 HA ARG 82 12.462 -4.505 0.067 631 HB2 ARG 82 1HB ARG 82 14.907 -4.201 -0.456 632 HB3 ARG 82 2HB ARG 82 15.216 -5.672 0.456 633 HG2 ARG 82 1HG ARG 82 13.614 -6.831 -1.092 634 HG3 ARG 82 2HG ARG 82 13.650 -5.373 -2.077 635 HD2 ARG 82 1HD ARG 82 16.125 -5.596 -2.189 636 HD3 ARG 82 2HD ARG 82 15.971 -7.149 -1.371 637 HE ARG 82 HE ARG 82 14.463 -6.778 -3.838 638 HH11 ARG 82 1HH1 ARG 82 17.262 -8.140 -2.237 639 HH12 ARG 82 2HH1 ARG 82 17.587 -9.284 -3.500 640 HH21 ARG 82 1HH2 ARG 82 14.879 -8.289 -5.501 641 HH22 ARG 82 2HH2 ARG 82 16.228 -9.371 -5.355 642 H THR 83 H THR 83 14.292 -6.040 2.662 643 HA THR 83 HA THR 83 13.261 -8.625 2.414 644 HB THR 83 HB THR 83 14.471 -7.091 4.698 645 HG1 THR 83 HG1 THR 83 16.165 -7.767 3.657 646 HG21 THR 83 1HG2 THR 83 13.637 -9.997 4.758 647 HG22 THR 83 2HG2 THR 83 12.920 -8.696 5.710 648 HG23 THR 83 3HG2 THR 83 14.596 -9.172 5.987 649 H GLU 84 H GLU 84 12.272 -5.992 4.612 650 HA GLU 84 HA GLU 84 10.094 -7.209 5.815 651 HB2 GLU 84 1HB GLU 84 10.569 -4.319 5.128 652 HB3 GLU 84 2HB GLU 84 9.162 -4.851 6.028 653 HG2 GLU 84 1HG GLU 84 12.038 -5.117 6.849 654 HG3 GLU 84 2HG GLU 84 10.821 -4.058 7.552 655 H VAL 85 H VAL 85 10.170 -5.338 2.794 656 HA VAL 85 HA VAL 85 7.458 -5.480 2.155 657 HB VAL 85 HB VAL 85 9.914 -5.319 0.414 658 HG11 VAL 85 1HG1 VAL 85 8.189 -6.403 -0.899 659 HG12 VAL 85 2HG1 VAL 85 8.415 -4.742 -1.452 660 HG13 VAL 85 3HG1 VAL 85 7.030 -5.155 -0.443 661 HG21 VAL 85 1HG2 VAL 85 9.148 -3.006 0.092 662 HG22 VAL 85 2HG2 VAL 85 9.470 -3.381 1.786 663 HG23 VAL 85 3HG2 VAL 85 7.807 -3.313 1.197 664 H LEU 86 H LEU 86 10.116 -7.652 1.201 665 HA LEU 86 HA LEU 86 8.600 -9.415 -0.349 666 HB2 LEU 86 1HB LEU 86 11.164 -9.826 1.182 667 HB3 LEU 86 2HB LEU 86 10.485 -11.017 0.076 668 HG LEU 86 HG LEU 86 11.168 -8.222 -0.791 669 HD11 LEU 86 1HD1 LEU 86 13.178 -9.267 0.103 670 HD12 LEU 86 2HD1 LEU 86 13.262 -9.142 -1.656 671 HD13 LEU 86 3HD1 LEU 86 12.894 -10.692 -0.897 672 HD21 LEU 86 1HD2 LEU 86 11.238 -9.314 -3.008 673 HD22 LEU 86 2HD2 LEU 86 9.650 -9.393 -2.247 674 HD23 LEU 86 3HD2 LEU 86 10.695 -10.813 -2.253 675 H LYS 87 H LYS 87 8.969 -9.165 3.092 676 HA LYS 87 HA LYS 87 7.989 -11.815 3.667 677 HB2 LYS 87 1HB LYS 87 8.310 -9.383 5.436 678 HB3 LYS 87 2HB LYS 87 7.860 -10.983 6.010 679 HG2 LYS 87 1HG LYS 87 9.994 -11.871 5.234 680 HG3 LYS 87 2HG LYS 87 10.450 -10.266 4.646 681 HD2 LYS 87 1HD LYS 87 11.498 -10.571 6.761 682 HD3 LYS 87 2HD LYS 87 10.165 -9.441 7.005 683 HE2 LYS 87 1HE LYS 87 10.223 -11.062 8.805 684 HE3 LYS 87 2HE LYS 87 8.775 -11.296 7.828 685 HZ1 LYS 87 1HZ LYS 87 9.912 -13.113 6.682 686 HZ2 LYS 87 2HZ LYS 87 9.793 -13.402 8.342 687 HZ3 LYS 87 3HZ LYS 87 11.266 -12.901 7.676 688 H CYS 88 H CYS 88 6.591 -9.042 2.545 689 HA CYS 88 HA CYS 88 3.966 -9.787 3.628 690 HB2 CYS 88 1HB CYS 88 5.183 -7.133 2.991 691 HB3 CYS 88 2HB CYS 88 3.418 -7.326 2.920 692 H VAL 89 H VAL 89 5.886 -9.720 0.880 693 HA VAL 89 HA VAL 89 3.842 -9.405 -1.092 694 HB VAL 89 HB VAL 89 6.584 -10.657 -1.284 695 HG11 VAL 89 1HG1 VAL 89 5.190 -11.540 -3.031 696 HG12 VAL 89 2HG1 VAL 89 6.285 -10.349 -3.735 697 HG13 VAL 89 3HG1 VAL 89 4.599 -9.927 -3.427 698 HG21 VAL 89 1HG2 VAL 89 7.185 -8.556 -2.432 699 HG22 VAL 89 2HG2 VAL 89 6.708 -8.304 -0.754 700 HG23 VAL 89 3HG2 VAL 89 5.583 -7.917 -2.057 701 H ASP 90 H ASP 90 2.248 -10.801 -1.316 702 HA ASP 90 HA ASP 90 2.807 -13.663 -1.017 703 HB2 ASP 90 1HB ASP 90 0.715 -12.041 0.352 704 HB3 ASP 90 2HB ASP 90 0.334 -13.705 -0.096 705 H LYS 91 H LYS 91 0.614 -14.857 -1.693 706 HA LYS 91 HA LYS 91 0.354 -14.187 -4.509 707 HB2 LYS 91 1HB LYS 91 -0.943 -16.526 -3.140 708 HB3 LYS 91 2HB LYS 91 -0.432 -16.368 -4.815 709 HG2 LYS 91 1HG LYS 91 1.906 -16.378 -4.076 710 HG3 LYS 91 2HG LYS 91 1.354 -16.642 -2.424 711 HD2 LYS 91 1HD LYS 91 0.248 -18.724 -3.160 712 HD3 LYS 91 2HD LYS 91 0.899 -18.471 -4.780 713 HE2 LYS 91 1HE LYS 91 2.468 -18.918 -2.244 714 HE3 LYS 91 2HE LYS 91 2.290 -20.044 -3.587 715 HZ1 LYS 91 1HZ LYS 91 3.408 -18.356 -5.001 716 HZ2 LYS 91 2HZ LYS 91 4.391 -18.977 -3.777 717 HZ3 LYS 91 3HZ LYS 91 3.713 -17.439 -3.611 718 H ASN 92 H ASN 92 -1.669 -14.093 -5.584 719 HA ASN 92 HA ASN 92 -3.681 -12.759 -4.030 720 HB2 ASN 92 1HB ASN 92 -4.884 -12.774 -6.367 721 HB3 ASN 92 2HB ASN 92 -3.565 -11.672 -6.062 722 HD21 ASN 92 1HD2 ASN 92 -4.666 -12.758 -8.539 723 HD22 ASN 92 2HD2 ASN 92 -3.355 -13.525 -9.366 724 H THR 93 H THR 93 -3.888 -14.906 -2.831 725 HA THR 93 HA THR 93 -5.134 -17.128 -4.011 726 HB THR 93 HB THR 93 -3.994 -17.345 -1.892 727 HG1 THR 93 HG1 THR 93 -6.659 -17.843 -1.152 728 HG21 THR 93 1HG2 THR 93 -5.070 -16.495 0.198 729 HG22 THR 93 2HG2 THR 93 -6.133 -15.521 -0.817 730 HG23 THR 93 3HG2 THR 93 -4.391 -15.247 -0.840 731 H ASP 94 H ASP 94 -6.394 -14.080 -3.192 732 HA ASP 94 HA ASP 94 -9.135 -15.019 -2.974 733 HB2 ASP 94 1HB ASP 94 -8.282 -13.132 -1.580 734 HB3 ASP 94 2HB ASP 94 -8.094 -12.178 -3.053 735 H ASN 95 H ASN 95 -6.988 -14.319 -5.397 736 HA ASN 95 HA ASN 95 -7.059 -13.884 -7.611 737 HB2 ASN 95 1HB ASN 95 -8.487 -15.939 -7.466 738 HB3 ASN 95 2HB ASN 95 -9.897 -14.899 -7.474 739 HD21 ASN 95 1HD2 ASN 95 -6.914 -14.504 -9.320 740 HD22 ASN 95 2HD2 ASN 95 -7.653 -14.675 -10.883 741 H ASN 96 H ASN 96 -7.450 -11.660 -6.146 742 HA ASN 96 HA ASN 96 -9.115 -10.008 -7.836 743 HB2 ASN 96 1HB ASN 96 -10.802 -10.590 -6.293 744 HB3 ASN 96 2HB ASN 96 -9.694 -10.547 -4.931 745 HD21 ASN 96 1HD2 ASN 96 -10.997 -9.216 -3.756 746 HD22 ASN 96 2HD2 ASN 96 -11.252 -7.545 -4.142 747 H ALA 97 H ALA 97 -8.001 -8.236 -8.244 748 HA ALA 97 HA ALA 97 -5.466 -7.778 -7.126 749 HB1 ALA 97 1HB ALA 97 -7.130 -5.846 -8.731 750 HB2 ALA 97 2HB ALA 97 -6.123 -7.124 -9.410 751 HB3 ALA 97 3HB ALA 97 -5.382 -5.803 -8.505 752 H CYS 98 H CYS 98 -8.625 -6.402 -6.378 753 HA CYS 98 HA CYS 98 -7.729 -4.252 -4.782 754 HB2 CYS 98 1HB CYS 98 -10.272 -5.860 -4.456 755 HB3 CYS 98 2HB CYS 98 -9.949 -4.280 -3.757 756 H HIS 99 H HIS 99 -8.319 -7.647 -4.050 757 HA HIS 99 HA HIS 99 -7.883 -7.245 -1.215 758 HB2 HIS 99 1HB HIS 99 -9.436 -8.980 -2.399 759 HB3 HIS 99 2HB HIS 99 -7.960 -9.927 -2.558 760 HD1 HIS 99 HD1 HIS 99 -6.777 -10.581 -0.216 761 HD2 HIS 99 HD2 HIS 99 -10.677 -9.158 0.009 762 HE1 HIS 99 HE1 HIS 99 -7.620 -11.259 2.052 763 HE2 HIS 99 HE2 HIS 99 -10.011 -10.482 2.123 764 H TRP 100 H TRP 100 -6.080 -8.113 -4.016 765 HA TRP 100 HA TRP 100 -3.946 -9.464 -2.694 766 HB2 TRP 100 1HB TRP 100 -4.517 -9.751 -5.114 767 HB3 TRP 100 2HB TRP 100 -3.899 -8.126 -5.412 768 HD1 TRP 100 HD1 TRP 100 -1.730 -9.777 -2.932 769 HE1 TRP 100 HE1 TRP 100 0.391 -10.705 -4.045 770 HE3 TRP 100 HE3 TRP 100 -3.162 -9.414 -7.828 771 HZ2 TRP 100 HZ2 TRP 100 1.335 -11.217 -6.654 772 HZ3 TRP 100 HZ3 TRP 100 -1.592 -10.141 -9.568 773 HH2 TRP 100 HH2 TRP 100 0.608 -11.026 -9.000 774 H ALA 101 H ALA 101 -4.223 -6.215 -4.144 775 HA ALA 101 HA ALA 101 -1.726 -5.271 -3.257 776 HB1 ALA 101 1HB ALA 101 -2.608 -3.040 -3.737 777 HB2 ALA 101 2HB ALA 101 -4.232 -3.713 -3.867 778 HB3 ALA 101 3HB ALA 101 -2.992 -4.176 -5.030 779 H PHE 102 H PHE 102 -4.907 -5.330 -1.802 780 HA PHE 102 HA PHE 102 -4.303 -3.662 0.382 781 HB2 PHE 102 1HB PHE 102 -6.589 -4.129 -0.357 782 HB3 PHE 102 2HB PHE 102 -6.424 -5.797 0.183 783 HD1 PHE 102 HD1 PHE 102 -6.999 -6.361 2.382 784 HD2 PHE 102 HD2 PHE 102 -6.280 -2.285 1.375 785 HE1 PHE 102 HE1 PHE 102 -7.776 -5.676 4.611 786 HE2 PHE 102 HE2 PHE 102 -7.052 -1.597 3.607 787 HZ PHE 102 HZ PHE 102 -7.800 -3.290 5.229 788 H ARG 103 H ARG 103 -3.867 -7.067 -0.249 789 HA ARG 103 HA ARG 103 -3.460 -7.942 2.412 790 HB2 ARG 103 1HB ARG 103 -3.889 -9.463 0.473 791 HB3 ARG 103 2HB ARG 103 -2.271 -9.095 -0.109 792 HG2 ARG 103 1HG ARG 103 -1.303 -10.030 1.908 793 HG3 ARG 103 2HG ARG 103 -2.912 -10.352 2.541 794 HD2 ARG 103 1HD ARG 103 -3.307 -11.846 0.572 795 HD3 ARG 103 2HD ARG 103 -1.613 -11.627 0.129 796 HE ARG 103 HE ARG 103 -1.800 -12.465 2.815 797 HH11 ARG 103 1HH1 ARG 103 -2.175 -13.708 -0.447 798 HH12 ARG 103 2HH1 ARG 103 -1.765 -15.335 0.004 799 HH21 ARG 103 1HH2 ARG 103 -1.269 -14.606 3.389 800 HH22 ARG 103 2HH2 ARG 103 -1.259 -15.841 2.171 801 H GLY 104 H GLY 104 -1.255 -6.869 -0.136 802 HA2 GLY 104 1HA GLY 104 1.146 -7.196 1.307 803 HA3 GLY 104 2HA GLY 104 0.906 -6.101 -0.060 804 H PHE 105 H PHE 105 -0.978 -4.384 0.922 805 HA PHE 105 HA PHE 105 0.581 -2.598 2.418 806 HB2 PHE 105 1HB PHE 105 -1.057 -1.727 0.932 807 HB3 PHE 105 2HB PHE 105 -2.340 -2.637 1.710 808 HD1 PHE 105 HD1 PHE 105 0.328 -0.359 2.970 809 HD2 PHE 105 HD2 PHE 105 -3.842 -1.186 2.699 810 HE1 PHE 105 HE1 PHE 105 -0.161 1.616 4.355 811 HE2 PHE 105 HE2 PHE 105 -4.326 0.780 4.090 812 HZ PHE 105 HZ PHE 105 -2.483 2.183 4.920 813 H LYS 106 H LYS 106 -2.174 -4.620 3.296 814 HA LYS 106 HA LYS 106 -2.492 -3.738 5.932 815 HB2 LYS 106 1HB LYS 106 -4.321 -4.906 5.237 816 HB3 LYS 106 2HB LYS 106 -3.379 -6.096 4.345 817 HG2 LYS 106 1HG LYS 106 -2.727 -7.072 6.560 818 HG3 LYS 106 2HG LYS 106 -3.908 -5.981 7.302 819 HD2 LYS 106 1HD LYS 106 -5.690 -6.966 5.981 820 HD3 LYS 106 2HD LYS 106 -4.532 -7.993 5.138 821 HE2 LYS 106 1HE LYS 106 -4.002 -9.129 7.233 822 HE3 LYS 106 2HE LYS 106 -5.136 -8.088 8.095 823 HZ1 LYS 106 1HZ LYS 106 -5.878 -9.944 5.899 824 HZ2 LYS 106 2HZ LYS 106 -6.944 -9.012 6.834 825 HZ3 LYS 106 3HZ LYS 106 -6.066 -10.272 7.547 826 H CYS 107 H CYS 107 -0.601 -6.440 4.617 827 HA CYS 107 HA CYS 107 0.267 -7.489 7.057 828 HB2 CYS 107 1HB CYS 107 0.537 -8.832 5.141 829 HB3 CYS 107 2HB CYS 107 1.407 -7.578 4.265 830 H PHE 108 H PHE 108 1.622 -4.986 4.976 831 HA PHE 108 HA PHE 108 4.090 -4.836 6.399 832 HB2 PHE 108 1HB PHE 108 3.653 -4.295 3.942 833 HB3 PHE 108 2HB PHE 108 3.011 -2.756 4.516 834 HD1 PHE 108 HD1 PHE 108 5.967 -4.717 3.834 835 HD2 PHE 108 HD2 PHE 108 4.523 -1.156 5.663 836 HE1 PHE 108 HE1 PHE 108 8.245 -3.801 3.846 837 HE2 PHE 108 HE2 PHE 108 6.804 -0.237 5.674 838 HZ PHE 108 HZ PHE 108 8.669 -1.560 4.765 839 H GLN 109 H GLN 109 1.203 -2.759 6.188 840 HA GLN 109 HA GLN 109 2.198 -0.775 7.950 841 HB2 GLN 109 1HB GLN 109 0.021 0.188 7.862 842 HB3 GLN 109 2HB GLN 109 0.402 -0.414 6.259 843 HG2 GLN 109 1HG GLN 109 -1.631 -1.321 6.318 844 HG3 GLN 109 2HG GLN 109 -0.920 -2.532 7.389 845 HE21 GLN 109 1HE2 GLN 109 -2.901 -2.866 8.429 846 HE22 GLN 109 2HE2 GLN 109 -3.565 -1.714 9.533 847 H LYS 110 H LYS 110 1.122 -3.886 8.546 848 HA LYS 110 HA LYS 110 -0.248 -3.554 10.988 849 HB2 LYS 110 1HB LYS 110 -0.374 -5.609 9.675 850 HB3 LYS 110 2HB LYS 110 1.339 -5.892 9.929 851 HG2 LYS 110 1HG LYS 110 1.004 -6.205 12.275 852 HG3 LYS 110 2HG LYS 110 -0.704 -5.803 12.124 853 HD2 LYS 110 1HD LYS 110 -1.031 -7.762 10.689 854 HD3 LYS 110 2HD LYS 110 0.682 -8.158 10.845 855 HE2 LYS 110 1HE LYS 110 -0.658 -9.508 12.363 856 HE3 LYS 110 2HE LYS 110 0.403 -8.422 13.258 857 HZ1 LYS 110 1HZ LYS 110 -2.503 -8.060 12.776 858 HZ2 LYS 110 2HZ LYS 110 -1.511 -6.909 13.512 859 HZ3 LYS 110 3HZ LYS 110 -1.756 -8.406 14.253 860 H ASN 111 H ASN 111 3.166 -3.773 10.170 861 HA ASN 111 HA ASN 111 3.776 -3.325 13.014 862 HB2 ASN 111 1HB ASN 111 5.082 -5.143 13.190 863 HB3 ASN 111 2HB ASN 111 4.257 -5.704 11.747 864 HD21 ASN 111 1HD2 ASN 111 5.303 -5.699 9.790 865 HD22 ASN 111 2HD2 ASN 111 7.006 -5.460 9.645 866 H ASN 112 H ASN 112 4.320 -2.464 9.746 867 HA ASN 112 HA ASN 112 6.515 -0.683 10.595 868 HB2 ASN 112 1HB ASN 112 6.209 -2.213 8.009 869 HB3 ASN 112 2HB ASN 112 7.296 -0.831 8.180 870 HD21 ASN 112 1HD2 ASN 112 7.647 -3.790 7.714 871 HD22 ASN 112 2HD2 ASN 112 8.852 -4.257 8.866 872 H LEU 113 H LEU 113 4.083 0.345 10.903 873 HA LEU 113 HA LEU 113 3.170 1.576 8.454 874 HB2 LEU 113 1HB LEU 113 1.464 0.917 9.976 875 HB3 LEU 113 2HB LEU 113 2.207 1.801 11.293 876 HG LEU 113 HG LEU 113 1.701 3.919 10.067 877 HD11 LEU 113 1HD1 LEU 113 1.588 2.812 7.821 878 HD12 LEU 113 2HD1 LEU 113 0.268 3.923 8.178 879 HD13 LEU 113 3HD1 LEU 113 0.009 2.184 8.289 880 HD21 LEU 113 1HD2 LEU 113 -0.644 2.125 10.668 881 HD22 LEU 113 2HD2 LEU 113 -0.700 3.886 10.555 882 HD23 LEU 113 3HD2 LEU 113 0.237 3.110 11.834 883 H SER 114 H SER 114 5.016 2.450 11.273 884 HA SER 114 HA SER 114 4.981 5.251 10.957 885 HB2 SER 114 1HB SER 114 7.236 3.581 12.095 886 HB3 SER 114 2HB SER 114 6.863 5.264 12.465 887 HG SER 114 HG SER 114 5.722 4.444 14.024 888 H LEU 115 H LEU 115 6.935 2.717 9.512 889 HA LEU 115 HA LEU 115 8.812 4.356 8.203 890 HB2 LEU 115 1HB LEU 115 9.091 1.938 8.467 891 HB3 LEU 115 2HB LEU 115 7.727 1.661 7.405 892 HG LEU 115 HG LEU 115 8.968 2.680 5.544 893 HD11 LEU 115 1HD1 LEU 115 10.373 4.226 6.653 894 HD12 LEU 115 2HD1 LEU 115 11.433 3.031 5.903 895 HD13 LEU 115 3HD1 LEU 115 11.102 2.958 7.635 896 HD21 LEU 115 1HD2 LEU 115 9.070 0.263 5.897 897 HD22 LEU 115 2HD2 LEU 115 10.472 0.471 6.945 898 HD23 LEU 115 3HD2 LEU 115 10.581 0.879 5.232 899 H ILE 116 H ILE 116 5.617 3.181 7.312 900 HA ILE 116 HA ILE 116 5.619 4.010 4.631 901 HB ILE 116 HB ILE 116 3.332 3.582 6.559 902 HG12 ILE 116 1HG1 ILE 116 4.405 1.878 4.297 903 HG13 ILE 116 2HG1 ILE 116 4.745 1.616 6.012 904 HG21 ILE 116 1HG2 ILE 116 2.581 5.082 4.801 905 HG22 ILE 116 2HG2 ILE 116 1.884 3.474 4.567 906 HG23 ILE 116 3HG2 ILE 116 3.244 4.000 3.575 907 HD11 ILE 116 1HD1 ILE 116 2.362 1.224 6.407 908 HD12 ILE 116 2HD1 ILE 116 3.022 0.106 5.214 909 HD13 ILE 116 3HD1 ILE 116 2.046 1.476 4.693 910 H LYS 117 H LYS 117 4.638 5.610 7.610 911 HA LYS 117 HA LYS 117 3.681 7.992 6.432 912 HB2 LYS 117 1HB LYS 117 4.717 7.375 9.191 913 HB3 LYS 117 2HB LYS 117 4.071 8.949 8.745 914 HG2 LYS 117 1HG LYS 117 1.927 7.930 8.203 915 HG3 LYS 117 2HG LYS 117 2.562 6.338 8.606 916 HD2 LYS 117 1HD LYS 117 2.913 7.056 10.917 917 HD3 LYS 117 2HD LYS 117 2.311 8.666 10.517 918 HE2 LYS 117 1HE LYS 117 0.129 7.739 9.981 919 HE3 LYS 117 2HE LYS 117 0.725 6.109 10.285 920 HZ1 LYS 117 1HZ LYS 117 -0.523 6.968 12.161 921 HZ2 LYS 117 2HZ LYS 117 0.537 8.279 12.301 922 HZ3 LYS 117 3HZ LYS 117 1.093 6.707 12.592 923 H ALA 118 H ALA 118 6.858 6.860 7.320 924 HA ALA 118 HA ALA 118 8.152 9.417 7.053 925 HB1 ALA 118 1HB ALA 118 10.214 8.132 7.281 926 HB2 ALA 118 2HB ALA 118 9.289 6.635 7.147 927 HB3 ALA 118 3HB ALA 118 9.041 7.705 8.527 928 H SER 119 H SER 119 7.458 6.691 5.002 929 HA SER 119 HA SER 119 9.288 7.129 2.943 930 HB2 SER 119 1HB SER 119 6.493 6.007 2.665 931 HB3 SER 119 2HB SER 119 7.860 5.717 1.590 932 HG SER 119 HG SER 119 8.325 5.124 4.244 933 H ILE 120 H ILE 120 6.141 8.558 3.560 934 HA ILE 120 HA ILE 120 6.260 10.045 1.043 935 HB ILE 120 HB ILE 120 3.956 10.773 1.634 936 HG12 ILE 120 1HG1 ILE 120 4.149 8.765 3.877 937 HG13 ILE 120 2HG1 ILE 120 4.323 10.502 4.121 938 HG21 ILE 120 1HG2 ILE 120 4.430 7.798 1.638 939 HG22 ILE 120 2HG2 ILE 120 4.310 8.833 0.215 940 HG23 ILE 120 3HG2 ILE 120 2.902 8.590 1.249 941 HD11 ILE 120 1HD1 ILE 120 2.074 10.843 3.258 942 HD12 ILE 120 2HD1 ILE 120 2.082 9.762 4.647 943 HD13 ILE 120 3HD1 ILE 120 1.900 9.106 3.020 944 H LYS 121 H LYS 121 7.486 10.436 4.017 945 HA LYS 121 HA LYS 121 6.792 13.237 4.392 946 HB2 LYS 121 1HB LYS 121 6.922 11.689 6.326 947 HB3 LYS 121 2HB LYS 121 8.632 11.453 5.994 948 HG2 LYS 121 1HG LYS 121 8.966 13.900 6.338 949 HG3 LYS 121 2HG LYS 121 7.279 14.002 6.844 950 HD2 LYS 121 1HD LYS 121 8.660 13.844 8.802 951 HD3 LYS 121 2HD LYS 121 7.767 12.334 8.619 952 HE2 LYS 121 1HE LYS 121 9.721 11.260 7.667 953 HE3 LYS 121 2HE LYS 121 10.616 12.777 7.730 954 HZ1 LYS 121 1HZ LYS 121 10.461 12.734 10.130 955 HZ2 LYS 121 2HZ LYS 121 11.185 11.314 9.572 956 HZ3 LYS 121 3HZ LYS 121 9.574 11.298 10.084 957 H LYS 122 H LYS 122 8.138 14.920 3.975 958 HA LYS 122 HA LYS 122 10.920 14.341 3.342 959 HB2 LYS 122 1HB LYS 122 10.378 16.318 1.535 960 HB3 LYS 122 2HB LYS 122 10.511 14.608 1.155 961 HG2 LYS 122 1HG LYS 122 8.524 15.133 0.159 962 HG3 LYS 122 2HG LYS 122 7.961 14.607 1.744 963 HD2 LYS 122 1HD LYS 122 6.796 16.614 1.211 964 HD3 LYS 122 2HD LYS 122 7.989 17.020 2.447 965 HE2 LYS 122 1HE LYS 122 9.462 17.958 0.790 966 HE3 LYS 122 2HE LYS 122 8.408 17.416 -0.514 967 HZ1 LYS 122 1HZ LYS 122 6.693 18.910 0.310 968 HZ2 LYS 122 2HZ LYS 122 8.106 19.761 -0.060 969 HZ3 LYS 122 3HZ LYS 122 7.715 19.433 1.549 970 H ASP 123 H ASP 123 11.975 15.392 4.847 971 HA ASP 123 HA ASP 123 11.051 17.994 5.780 972 HB2 ASP 123 1HB ASP 123 13.217 16.130 6.746 973 HB3 ASP 123 2HB ASP 123 13.069 17.778 7.337 974 H21 ACD 201 H21 ACD 1 -4.655 5.446 1.644 975 H22 ACD 201 H22 ACD 1 -3.383 5.440 2.873 976 H31 ACD 201 H31 ACD 1 -1.968 6.852 1.322 977 H32 ACD 201 H32 ACD 1 -3.207 6.669 0.084 978 H41 ACD 201 H41 ACD 1 -2.912 4.191 0.153 979 H42 ACD 201 H42 ACD 1 -1.397 5.016 -0.249 980 H5 ACD 201 H5 ACD 1 -2.007 3.520 2.347 981 H6 ACD 201 H6 ACD 1 0.300 3.982 2.790 982 H71 ACD 201 H71 ACD 1 0.767 5.024 0.141 983 H72 ACD 201 H72 ACD 1 -0.096 6.332 0.946 984 H8 ACD 201 H8 ACD 1 1.791 6.668 2.531 985 H9 ACD 201 H9 ACD 1 3.855 5.610 1.980 986 H101 ACD 201 H101 ACD 1 2.737 4.680 -0.546 987 H102 ACD 201 H102 ACD 1 2.246 3.473 0.646 988 H11 ACD 201 H11 ACD 1 5.225 4.252 0.509 989 H12 ACD 201 H12 ACD 1 5.494 1.918 0.188 990 H131 ACD 201 H131 ACD 1 2.528 2.035 -0.540 991 H132 ACD 201 H132 ACD 1 3.596 0.633 -0.680 992 H14 ACD 201 H14 ACD 1 2.438 1.646 2.015 993 H15 ACD 201 H15 ACD 1 2.426 -0.691 2.465 994 H161 ACD 201 H161 ACD 1 2.705 -1.387 -0.327 995 H162 ACD 201 H162 ACD 1 4.338 -0.917 0.159 996 H171 ACD 201 H171 ACD 1 4.416 -2.599 1.882 997 H172 ACD 201 H172 ACD 1 2.690 -2.930 1.730 998 H181 ACD 201 H181 ACD 1 4.755 -3.443 -0.449 999 H182 ACD 201 H182 ACD 1 3.032 -3.819 -0.549 1000 H191 ACD 201 H191 ACD 1 5.046 -5.020 1.405 1001 H192 ACD 201 H192 ACD 1 3.307 -5.306 1.494 1002 H201 ACD 201 H201 ACD 1 4.452 -7.116 0.285 1003 H202 ACD 201 H202 ACD 1 5.070 -5.989 -0.872 1004 H203 ACD 201 H203 ACD 1 3.370 -6.279 -0.772 Start of MODEL 10 1 H1 MET 1 1H MET 1 14.362 5.991 -17.172 2 H2 MET 1 2H MET 1 12.732 6.366 -17.401 3 H3 MET 1 3H MET 1 13.293 4.804 -17.720 4 HA MET 1 HA MET 1 12.076 4.925 -15.638 5 HB2 MET 1 1HB MET 1 13.905 3.267 -15.987 6 HB3 MET 1 2HB MET 1 15.033 4.403 -15.261 7 HG2 MET 1 1HG MET 1 13.827 4.292 -13.158 8 HG3 MET 1 2HG MET 1 12.644 3.204 -13.877 9 HE1 MET 1 1HE MET 1 16.279 3.654 -12.556 10 HE2 MET 1 2HE MET 1 16.599 3.285 -14.250 11 HE3 MET 1 3HE MET 1 17.046 2.129 -12.996 12 H GLU 2 H GLU 2 11.727 7.355 -15.543 13 HA GLU 2 HA GLU 2 13.515 8.681 -13.654 14 HB2 GLU 2 1HB GLU 2 11.055 9.736 -15.045 15 HB3 GLU 2 2HB GLU 2 12.174 10.678 -14.072 16 HG2 GLU 2 1HG GLU 2 13.956 10.174 -15.690 17 HG3 GLU 2 2HG GLU 2 12.777 9.314 -16.679 18 H PHE 3 H PHE 3 13.154 7.670 -11.753 19 HA PHE 3 HA PHE 3 10.495 7.130 -10.823 20 HB2 PHE 3 1HB PHE 3 12.342 5.652 -10.216 21 HB3 PHE 3 2HB PHE 3 13.128 6.970 -9.343 22 HD1 PHE 3 HD1 PHE 3 10.141 4.800 -9.415 23 HD2 PHE 3 HD2 PHE 3 12.546 7.441 -7.107 24 HE1 PHE 3 HE1 PHE 3 8.898 4.154 -7.392 25 HE2 PHE 3 HE2 PHE 3 11.309 6.801 -5.080 26 HZ PHE 3 HZ PHE 3 9.481 5.158 -5.220 27 H THR 4 H THR 4 9.215 8.578 -10.034 28 HA THR 4 HA THR 4 10.292 10.816 -8.443 29 HB THR 4 HB THR 4 7.411 10.791 -9.033 30 HG1 THR 4 HG1 THR 4 9.361 10.985 -11.119 31 HG21 THR 4 1HG2 THR 4 9.578 12.835 -9.465 32 HG22 THR 4 2HG2 THR 4 8.610 12.660 -8.002 33 HG23 THR 4 3HG2 THR 4 7.839 13.124 -9.520 34 H VAL 5 H VAL 5 9.771 10.987 -6.330 35 HA VAL 5 HA VAL 5 8.483 8.640 -5.156 36 HB VAL 5 HB VAL 5 9.595 9.021 -3.221 37 HG11 VAL 5 1HG1 VAL 5 11.281 10.719 -5.027 38 HG12 VAL 5 2HG1 VAL 5 11.307 8.961 -4.927 39 HG13 VAL 5 3HG1 VAL 5 11.803 9.931 -3.541 40 HG21 VAL 5 1HG2 VAL 5 8.438 11.057 -2.608 41 HG22 VAL 5 2HG2 VAL 5 9.466 11.997 -3.688 42 HG23 VAL 5 3HG2 VAL 5 10.161 11.214 -2.268 43 H SER 6 H SER 6 6.626 8.659 -4.077 44 HA SER 6 HA SER 6 4.894 10.928 -4.603 45 HB2 SER 6 1HB SER 6 4.247 8.217 -3.414 46 HB3 SER 6 2HB SER 6 3.075 9.424 -3.942 47 HG SER 6 HG SER 6 4.534 7.632 -5.419 48 H THR 7 H THR 7 5.366 12.522 -3.150 49 HA THR 7 HA THR 7 5.687 11.983 -0.350 50 HB THR 7 HB THR 7 5.711 14.415 -0.059 51 HG1 THR 7 HG1 THR 7 5.017 14.458 -2.840 52 HG21 THR 7 1HG2 THR 7 7.320 13.538 -2.458 53 HG22 THR 7 2HG2 THR 7 7.772 13.301 -0.769 54 HG23 THR 7 3HG2 THR 7 7.664 14.932 -1.434 55 H THR 8 H THR 8 4.271 13.519 1.143 56 HA THR 8 HA THR 8 1.736 12.513 1.395 57 HB THR 8 HB THR 8 2.678 15.268 2.211 58 HG1 THR 8 HG1 THR 8 3.628 12.992 2.960 59 HG21 THR 8 1HG2 THR 8 0.271 15.123 2.332 60 HG22 THR 8 2HG2 THR 8 0.941 15.067 3.964 61 HG23 THR 8 3HG2 THR 8 0.376 13.585 3.190 62 H GLU 9 H GLU 9 2.656 15.538 -0.234 63 HA GLU 9 HA GLU 9 0.080 16.330 -0.946 64 HB2 GLU 9 1HB GLU 9 2.771 16.967 -2.127 65 HB3 GLU 9 2HB GLU 9 1.289 17.645 -2.777 66 HG2 GLU 9 1HG GLU 9 2.311 19.221 -1.286 67 HG3 GLU 9 2HG GLU 9 0.799 18.641 -0.591 68 H ASP 10 H ASP 10 2.467 14.439 -2.791 69 HA ASP 10 HA ASP 10 0.902 14.179 -5.130 70 HB2 ASP 10 1HB ASP 10 2.986 12.242 -4.092 71 HB3 ASP 10 2HB ASP 10 2.347 12.317 -5.732 72 H LEU 11 H LEU 11 1.214 12.203 -2.237 73 HA LEU 11 HA LEU 11 -0.359 10.060 -3.112 74 HB2 LEU 11 1HB LEU 11 1.115 9.811 -1.239 75 HB3 LEU 11 2HB LEU 11 0.246 11.048 -0.322 76 HG LEU 11 HG LEU 11 -1.748 9.533 -0.365 77 HD11 LEU 11 1HD1 LEU 11 -1.035 8.230 -2.340 78 HD12 LEU 11 2HD1 LEU 11 -1.473 7.226 -0.961 79 HD13 LEU 11 3HD1 LEU 11 0.227 7.490 -1.355 80 HD21 LEU 11 1HD2 LEU 11 -0.172 9.713 1.545 81 HD22 LEU 11 2HD2 LEU 11 0.709 8.330 0.894 82 HD23 LEU 11 3HD2 LEU 11 -0.962 8.144 1.423 83 H GLN 12 H GLN 12 -1.183 13.087 -1.512 84 HA GLN 12 HA GLN 12 -3.841 12.357 -0.872 85 HB2 GLN 12 1HB GLN 12 -2.502 15.038 -1.119 86 HB3 GLN 12 2HB GLN 12 -4.191 14.853 -0.657 87 HG2 GLN 12 1HG GLN 12 -1.817 13.723 0.804 88 HG3 GLN 12 2HG GLN 12 -2.791 15.102 1.308 89 HE21 GLN 12 1HE2 GLN 12 -2.264 12.539 2.650 90 HE22 GLN 12 2HE2 GLN 12 -3.814 11.837 2.947 91 H ARG 13 H ARG 13 -2.338 13.626 -3.728 92 HA ARG 13 HA ARG 13 -4.711 14.351 -5.090 93 HB2 ARG 13 1HB ARG 13 -2.561 15.120 -5.908 94 HB3 ARG 13 2HB ARG 13 -2.031 13.461 -6.168 95 HG2 ARG 13 1HG ARG 13 -3.846 13.177 -7.822 96 HG3 ARG 13 2HG ARG 13 -4.255 14.886 -7.609 97 HD2 ARG 13 1HD ARG 13 -2.094 15.544 -8.441 98 HD3 ARG 13 2HD ARG 13 -1.575 13.859 -8.527 99 HE ARG 13 HE ARG 13 -3.878 14.076 -10.066 100 HH11 ARG 13 1HH1 ARG 13 -0.614 15.337 -10.087 101 HH12 ARG 13 2HH1 ARG 13 -0.559 15.535 -11.808 102 HH21 ARG 13 1HH2 ARG 13 -3.818 14.340 -12.335 103 HH22 ARG 13 2HH2 ARG 13 -2.391 14.970 -13.092 104 H TYR 14 H TYR 14 -2.648 11.451 -5.384 105 HA TYR 14 HA TYR 14 -4.278 10.079 -7.189 106 HB2 TYR 14 1HB TYR 14 -2.531 8.764 -5.104 107 HB3 TYR 14 2HB TYR 14 -3.014 8.108 -6.662 108 HD1 TYR 14 HD1 TYR 14 -0.204 8.904 -5.195 109 HD2 TYR 14 HD2 TYR 14 -2.492 10.365 -8.473 110 HE1 TYR 14 HE1 TYR 14 1.840 9.814 -6.209 111 HE2 TYR 14 HE2 TYR 14 -0.450 11.276 -9.498 112 HH TYR 14 HH TYR 14 1.837 12.049 -8.672 113 H ARG 15 H ARG 15 -4.310 10.156 -3.690 114 HA ARG 15 HA ARG 15 -6.118 8.039 -3.316 115 HB2 ARG 15 1HB ARG 15 -5.282 8.350 -1.282 116 HB3 ARG 15 2HB ARG 15 -4.691 9.945 -1.714 117 HG2 ARG 15 1HG ARG 15 -6.766 10.954 -1.040 118 HG3 ARG 15 2HG ARG 15 -7.502 9.364 -0.791 119 HD2 ARG 15 1HD ARG 15 -5.894 8.881 0.980 120 HD3 ARG 15 2HD ARG 15 -5.120 10.443 0.726 121 HE ARG 15 HE ARG 15 -7.633 11.168 1.271 122 HH11 ARG 15 1HH1 ARG 15 -5.488 8.876 2.835 123 HH12 ARG 15 2HH1 ARG 15 -6.139 9.158 4.420 124 HH21 ARG 15 1HH2 ARG 15 -8.509 11.531 3.359 125 HH22 ARG 15 2HH2 ARG 15 -7.876 10.654 4.712 126 H THR 16 H THR 16 -6.573 11.519 -3.687 127 HA THR 16 HA THR 16 -9.361 11.535 -3.295 128 HB THR 16 HB THR 16 -7.419 13.384 -4.619 129 HG1 THR 16 HG1 THR 16 -9.278 13.711 -2.477 130 HG21 THR 16 1HG2 THR 16 -9.252 14.976 -5.072 131 HG22 THR 16 2HG2 THR 16 -10.422 13.721 -4.660 132 HG23 THR 16 3HG2 THR 16 -9.369 13.519 -6.061 133 H GLU 17 H GLU 17 -7.383 11.298 -6.248 134 HA GLU 17 HA GLU 17 -9.558 11.250 -8.049 135 HB2 GLU 17 1HB GLU 17 -6.981 9.833 -8.671 136 HB3 GLU 17 2HB GLU 17 -8.020 10.760 -9.733 137 HG2 GLU 17 1HG GLU 17 -7.362 12.824 -8.628 138 HG3 GLU 17 2HG GLU 17 -6.296 11.917 -7.557 139 H CYS 18 H CYS 18 -7.921 8.651 -6.295 140 HA CYS 18 HA CYS 18 -9.375 6.551 -7.545 141 HB2 CYS 18 1HB CYS 18 -7.928 6.678 -4.901 142 HB3 CYS 18 2HB CYS 18 -8.740 5.226 -5.494 143 H VAL 19 H VAL 19 -9.976 8.647 -4.801 144 HA VAL 19 HA VAL 19 -12.215 7.277 -3.778 145 HB VAL 19 HB VAL 19 -11.172 10.066 -3.486 146 HG11 VAL 19 1HG1 VAL 19 -13.023 10.654 -2.022 147 HG12 VAL 19 2HG1 VAL 19 -13.821 9.125 -2.395 148 HG13 VAL 19 3HG1 VAL 19 -13.595 10.336 -3.662 149 HG21 VAL 19 1HG2 VAL 19 -11.767 7.817 -1.569 150 HG22 VAL 19 2HG2 VAL 19 -11.139 9.399 -1.106 151 HG23 VAL 19 3HG2 VAL 19 -10.178 8.336 -2.133 152 H SER 20 H SER 20 -11.924 10.046 -5.946 153 HA SER 20 HA SER 20 -14.680 10.357 -6.432 154 HB2 SER 20 1HB SER 20 -12.864 12.054 -6.818 155 HB3 SER 20 2HB SER 20 -12.391 11.142 -8.250 156 HG SER 20 HG SER 20 -14.638 11.460 -8.958 157 H SER 21 H SER 21 -12.287 8.234 -7.854 158 HA SER 21 HA SER 21 -13.899 7.621 -10.173 159 HB2 SER 21 1HB SER 21 -11.485 7.625 -10.404 160 HB3 SER 21 2HB SER 21 -11.325 6.433 -9.117 161 HG SER 21 HG SER 21 -12.463 6.072 -11.690 162 H LEU 22 H LEU 22 -12.864 5.866 -7.228 163 HA LEU 22 HA LEU 22 -14.399 3.550 -7.995 164 HB2 LEU 22 1HB LEU 22 -12.788 4.218 -5.538 165 HB3 LEU 22 2HB LEU 22 -13.649 2.690 -5.741 166 HG LEU 22 HG LEU 22 -11.520 3.670 -7.639 167 HD11 LEU 22 1HD1 LEU 22 -10.065 2.026 -6.525 168 HD12 LEU 22 2HD1 LEU 22 -11.321 1.762 -5.315 169 HD13 LEU 22 3HD1 LEU 22 -10.542 3.338 -5.448 170 HD21 LEU 22 1HD2 LEU 22 -13.145 2.059 -8.535 171 HD22 LEU 22 2HD2 LEU 22 -12.745 0.951 -7.218 172 HD23 LEU 22 3HD2 LEU 22 -11.521 1.384 -8.414 173 H ASN 23 H ASN 23 -15.509 6.344 -7.059 174 HA ASN 23 HA ASN 23 -17.349 7.153 -5.983 175 HB2 ASN 23 1HB ASN 23 -18.261 4.287 -6.245 176 HB3 ASN 23 2HB ASN 23 -19.295 5.646 -5.849 177 HD21 ASN 23 1HD2 ASN 23 -19.848 7.118 -7.443 178 HD22 ASN 23 2HD2 ASN 23 -19.580 6.800 -9.125 179 H ILE 24 H ILE 24 -15.174 6.318 -4.326 180 HA ILE 24 HA ILE 24 -15.995 4.885 -2.055 181 HB ILE 24 HB ILE 24 -13.895 7.051 -2.177 182 HG12 ILE 24 1HG1 ILE 24 -13.524 5.360 -3.941 183 HG13 ILE 24 2HG1 ILE 24 -12.286 5.278 -2.691 184 HG21 ILE 24 1HG2 ILE 24 -12.868 5.791 -0.332 185 HG22 ILE 24 2HG2 ILE 24 -14.257 4.706 -0.321 186 HG23 ILE 24 3HG2 ILE 24 -14.466 6.410 0.080 187 HD11 ILE 24 1HD1 ILE 24 -14.644 3.429 -2.982 188 HD12 ILE 24 2HD1 ILE 24 -13.418 3.339 -1.717 189 HD13 ILE 24 3HD1 ILE 24 -12.969 3.066 -3.401 190 HA PRO 25 HA PRO 25 -18.832 7.886 -0.300 191 HB2 PRO 25 1HB PRO 25 -18.446 6.193 2.089 192 HB3 PRO 25 2HB PRO 25 -19.933 6.645 1.255 193 HG2 PRO 25 1HG PRO 25 -18.929 4.179 1.085 194 HG3 PRO 25 2HG PRO 25 -19.746 4.956 -0.284 195 HD2 PRO 25 1HD PRO 25 -16.823 4.544 0.196 196 HD3 PRO 25 2HD PRO 25 -17.745 4.466 -1.325 197 H ALA 26 H ALA 26 -18.640 9.613 0.966 198 HA ALA 26 HA ALA 26 -16.097 10.629 1.506 199 HB1 ALA 26 1HB ALA 26 -18.729 11.537 2.644 200 HB2 ALA 26 2HB ALA 26 -18.087 11.990 1.067 201 HB3 ALA 26 3HB ALA 26 -17.252 12.492 2.539 202 H ASP 27 H ASP 27 -18.317 8.885 3.604 203 HA ASP 27 HA ASP 27 -17.113 9.538 6.065 204 HB2 ASP 27 1HB ASP 27 -18.322 7.773 7.040 205 HB3 ASP 27 2HB ASP 27 -19.341 8.367 5.738 206 H TYR 28 H TYR 28 -16.442 6.872 3.786 207 HA TYR 28 HA TYR 28 -14.403 5.668 5.251 208 HB2 TYR 28 1HB TYR 28 -15.062 5.778 2.336 209 HB3 TYR 28 2HB TYR 28 -13.571 5.001 2.868 210 HD1 TYR 28 HD1 TYR 28 -17.235 4.864 2.951 211 HD2 TYR 28 HD2 TYR 28 -13.630 2.894 4.051 212 HE1 TYR 28 HE1 TYR 28 -18.506 2.817 3.433 213 HE2 TYR 28 HE2 TYR 28 -14.892 0.844 4.544 214 HH TYR 28 HH TYR 28 -17.186 0.192 5.125 215 H VAL 29 H VAL 29 -14.358 8.388 3.030 216 HA VAL 29 HA VAL 29 -11.594 8.691 2.760 217 HB VAL 29 HB VAL 29 -13.689 10.852 2.723 218 HG11 VAL 29 1HG1 VAL 29 -12.082 12.042 1.291 219 HG12 VAL 29 2HG1 VAL 29 -10.914 10.744 1.553 220 HG13 VAL 29 3HG1 VAL 29 -11.436 11.747 2.904 221 HG21 VAL 29 1HG2 VAL 29 -14.273 9.114 1.177 222 HG22 VAL 29 2HG2 VAL 29 -12.626 9.065 0.551 223 HG23 VAL 29 3HG2 VAL 29 -13.634 10.486 0.271 224 H GLU 30 H GLU 30 -13.846 10.032 5.164 225 HA GLU 30 HA GLU 30 -11.958 11.540 6.631 226 HB2 GLU 30 1HB GLU 30 -14.304 10.166 7.914 227 HB3 GLU 30 2HB GLU 30 -13.543 11.695 8.332 228 HG2 GLU 30 1HG GLU 30 -14.356 12.651 6.229 229 HG3 GLU 30 2HG GLU 30 -15.218 11.151 5.912 230 H LYS 31 H LYS 31 -12.893 8.155 6.758 231 HA LYS 31 HA LYS 31 -11.471 7.460 9.085 232 HB2 LYS 31 1HB LYS 31 -12.097 5.750 6.671 233 HB3 LYS 31 2HB LYS 31 -11.515 5.149 8.229 234 HG2 LYS 31 1HG LYS 31 -13.548 6.101 9.288 235 HG3 LYS 31 2HG LYS 31 -14.142 6.513 7.677 236 HD2 LYS 31 1HD LYS 31 -13.912 4.083 7.070 237 HD3 LYS 31 2HD LYS 31 -13.564 3.758 8.778 238 HE2 LYS 31 1HE LYS 31 -15.755 4.772 9.370 239 HE3 LYS 31 2HE LYS 31 -16.097 4.974 7.652 240 HZ1 LYS 31 1HZ LYS 31 -15.656 2.392 9.052 241 HZ2 LYS 31 2HZ LYS 31 -15.948 2.563 7.396 242 HZ3 LYS 31 3HZ LYS 31 -17.142 2.990 8.513 243 H PHE 32 H PHE 32 -10.541 7.296 5.666 244 HA PHE 32 HA PHE 32 -7.960 6.305 6.037 245 HB2 PHE 32 1HB PHE 32 -8.875 8.132 3.811 246 HB3 PHE 32 2HB PHE 32 -7.498 7.038 3.773 247 HD1 PHE 32 HD1 PHE 32 -10.162 7.321 2.041 248 HD2 PHE 32 HD2 PHE 32 -8.769 4.647 5.039 249 HE1 PHE 32 HE1 PHE 32 -11.601 5.552 1.126 250 HE2 PHE 32 HE2 PHE 32 -10.206 2.877 4.129 251 HZ PHE 32 HZ PHE 32 -11.622 3.320 2.166 252 H LYS 33 H LYS 33 -9.224 9.481 6.539 253 HA LYS 33 HA LYS 33 -6.771 10.912 6.308 254 HB2 LYS 33 1HB LYS 33 -9.193 11.836 6.305 255 HB3 LYS 33 2HB LYS 33 -9.057 11.765 8.063 256 HG2 LYS 33 1HG LYS 33 -7.160 13.243 8.033 257 HG3 LYS 33 2HG LYS 33 -7.161 13.254 6.263 258 HD2 LYS 33 1HD LYS 33 -9.384 14.294 6.284 259 HD3 LYS 33 2HD LYS 33 -9.363 14.295 8.048 260 HE2 LYS 33 1HE LYS 33 -8.755 16.484 7.226 261 HE3 LYS 33 2HE LYS 33 -7.361 15.732 7.997 262 HZ1 LYS 33 1HZ LYS 33 -7.853 15.817 5.072 263 HZ2 LYS 33 2HZ LYS 33 -6.488 15.172 5.832 264 HZ3 LYS 33 3HZ LYS 33 -6.793 16.834 5.907 265 H LYS 34 H LYS 34 -8.301 9.062 8.842 266 HA LYS 34 HA LYS 34 -6.155 9.860 10.678 267 HB2 LYS 34 1HB LYS 34 -8.826 8.554 11.182 268 HB3 LYS 34 2HB LYS 34 -7.583 8.670 12.421 269 HG2 LYS 34 1HG LYS 34 -9.023 10.926 11.042 270 HG3 LYS 34 2HG LYS 34 -9.151 10.446 12.733 271 HD2 LYS 34 1HD LYS 34 -6.696 11.573 11.387 272 HD3 LYS 34 2HD LYS 34 -7.767 12.438 12.483 273 HE2 LYS 34 1HE LYS 34 -6.204 9.972 13.224 274 HE3 LYS 34 2HE LYS 34 -5.670 11.619 13.544 275 HZ1 LYS 34 1HZ LYS 34 -8.155 10.378 14.603 276 HZ2 LYS 34 2HZ LYS 34 -7.625 11.951 14.918 277 HZ3 LYS 34 3HZ LYS 34 -6.728 10.632 15.475 278 H TRP 35 H TRP 35 -5.814 8.055 8.430 279 HA TRP 35 HA TRP 35 -5.034 6.016 7.826 280 HB2 TRP 35 1HB TRP 35 -3.820 6.307 10.572 281 HB3 TRP 35 2HB TRP 35 -3.334 5.065 9.410 282 HD1 TRP 35 HD1 TRP 35 -3.247 8.869 9.938 283 HE1 TRP 35 HE1 TRP 35 -1.403 9.868 8.448 284 HE3 TRP 35 HE3 TRP 35 -1.963 4.671 7.312 285 HZ2 TRP 35 HZ2 TRP 35 0.357 8.994 6.433 286 HZ3 TRP 35 HZ3 TRP 35 -0.196 4.841 5.619 287 HH2 TRP 35 HH2 TRP 35 0.948 6.951 5.184 288 H GLU 36 H GLU 36 -7.616 5.778 8.605 289 HA GLU 36 HA GLU 36 -7.688 3.237 10.072 290 HB2 GLU 36 1HB GLU 36 -8.982 5.147 11.030 291 HB3 GLU 36 2HB GLU 36 -9.958 5.144 9.574 292 HG2 GLU 36 1HG GLU 36 -11.114 3.973 11.327 293 HG3 GLU 36 2HG GLU 36 -10.651 2.848 10.053 294 H PHE 37 H PHE 37 -7.686 1.621 8.690 295 HA PHE 37 HA PHE 37 -9.165 1.917 6.158 296 HB2 PHE 37 1HB PHE 37 -6.814 0.095 6.747 297 HB3 PHE 37 2HB PHE 37 -7.589 0.315 5.182 298 HD1 PHE 37 HD1 PHE 37 -5.442 1.869 7.719 299 HD2 PHE 37 HD2 PHE 37 -7.111 2.230 3.819 300 HE1 PHE 37 HE1 PHE 37 -3.898 3.721 7.230 301 HE2 PHE 37 HE2 PHE 37 -5.576 4.084 3.331 302 HZ PHE 37 HZ PHE 37 -3.966 4.832 5.033 303 HA PRO 38 HA PRO 38 -11.698 -1.270 8.281 304 HB2 PRO 38 1HB PRO 38 -13.386 -0.600 5.935 305 HB3 PRO 38 2HB PRO 38 -13.825 -0.749 7.647 306 HG2 PRO 38 1HG PRO 38 -13.663 1.648 6.530 307 HG3 PRO 38 2HG PRO 38 -13.034 1.375 8.166 308 HD2 PRO 38 1HD PRO 38 -11.522 1.548 5.574 309 HD3 PRO 38 2HD PRO 38 -11.135 2.276 7.162 310 H GLU 39 H GLU 39 -11.796 -3.361 7.843 311 HA GLU 39 HA GLU 39 -10.562 -4.339 5.436 312 HB2 GLU 39 1HB GLU 39 -10.093 -5.316 7.656 313 HB3 GLU 39 2HB GLU 39 -11.762 -5.850 7.759 314 HG2 GLU 39 1HG GLU 39 -11.471 -7.409 6.016 315 HG3 GLU 39 2HG GLU 39 -9.918 -6.709 5.553 316 H ASP 40 H ASP 40 -12.097 -3.577 3.946 317 HA ASP 40 HA ASP 40 -14.316 -5.379 3.508 318 HB2 ASP 40 1HB ASP 40 -16.058 -3.967 3.885 319 HB3 ASP 40 2HB ASP 40 -14.922 -3.161 4.957 320 H ASP 41 H ASP 41 -15.339 -4.981 1.353 321 HA ASP 41 HA ASP 41 -13.453 -5.013 -0.652 322 HB2 ASP 41 1HB ASP 41 -16.375 -4.264 -0.880 323 HB3 ASP 41 2HB ASP 41 -15.329 -4.634 -2.245 324 H THR 42 H THR 42 -15.364 -2.234 0.413 325 HA THR 42 HA THR 42 -14.816 -0.417 -1.593 326 HB THR 42 HB THR 42 -14.930 0.343 1.314 327 HG1 THR 42 HG1 THR 42 -16.672 -0.920 1.250 328 HG21 THR 42 1HG2 THR 42 -14.570 2.167 -0.225 329 HG22 THR 42 2HG2 THR 42 -16.208 2.254 0.420 330 HG23 THR 42 3HG2 THR 42 -15.934 1.642 -1.211 331 H THR 43 H THR 43 -13.140 -0.611 1.525 332 HA THR 43 HA THR 43 -11.091 1.184 0.940 333 HB THR 43 HB THR 43 -11.027 -1.118 2.893 334 HG1 THR 43 HG1 THR 43 -12.780 0.113 3.474 335 HG21 THR 43 1HG2 THR 43 -8.831 -0.182 2.616 336 HG22 THR 43 2HG2 THR 43 -9.486 0.405 4.146 337 HG23 THR 43 3HG2 THR 43 -9.462 1.458 2.731 338 H MET 44 H MET 44 -11.386 -2.254 0.325 339 HA MET 44 HA MET 44 -8.635 -2.788 -0.033 340 HB2 MET 44 1HB MET 44 -11.063 -4.256 -1.055 341 HB3 MET 44 2HB MET 44 -9.417 -4.869 -1.161 342 HG2 MET 44 1HG MET 44 -9.242 -4.878 1.254 343 HG3 MET 44 2HG MET 44 -10.855 -4.186 1.393 344 HE1 MET 44 1HE MET 44 -9.973 -6.770 2.967 345 HE2 MET 44 2HE MET 44 -11.398 -7.788 2.741 346 HE3 MET 44 3HE MET 44 -11.587 -6.060 3.049 347 H CYS 45 H CYS 45 -11.232 -2.248 -2.434 348 HA CYS 45 HA CYS 45 -9.475 -2.312 -4.658 349 HB2 CYS 45 1HB CYS 45 -12.202 -1.025 -4.379 350 HB3 CYS 45 2HB CYS 45 -11.334 -1.198 -5.899 351 H TYR 46 H TYR 46 -10.462 0.196 -2.447 352 HA TYR 46 HA TYR 46 -9.544 2.434 -3.827 353 HB2 TYR 46 1HB TYR 46 -10.850 2.852 -1.933 354 HB3 TYR 46 2HB TYR 46 -9.885 1.785 -0.916 355 HD1 TYR 46 HD1 TYR 46 -8.433 2.757 0.585 356 HD2 TYR 46 HD2 TYR 46 -9.513 4.933 -2.913 357 HE1 TYR 46 HE1 TYR 46 -7.160 4.692 1.401 358 HE2 TYR 46 HE2 TYR 46 -8.238 6.869 -2.100 359 HH TYR 46 HH TYR 46 -6.319 6.711 0.860 360 H ILE 47 H ILE 47 -7.873 0.380 -1.464 361 HA ILE 47 HA ILE 47 -5.399 1.663 -1.542 362 HB ILE 47 HB ILE 47 -6.098 -1.204 -0.947 363 HG12 ILE 47 1HG1 ILE 47 -7.024 0.393 0.639 364 HG13 ILE 47 2HG1 ILE 47 -5.718 -0.506 1.406 365 HG21 ILE 47 1HG2 ILE 47 -3.861 -1.389 0.091 366 HG22 ILE 47 2HG2 ILE 47 -3.447 0.184 -0.588 367 HG23 ILE 47 3HG2 ILE 47 -3.794 -1.172 -1.659 368 HD11 ILE 47 1HD1 ILE 47 -4.223 1.457 0.888 369 HD12 ILE 47 2HD1 ILE 47 -5.494 1.745 2.072 370 HD13 ILE 47 3HD1 ILE 47 -5.682 2.335 0.422 371 H LYS 48 H LYS 48 -6.748 -0.880 -3.586 372 HA LYS 48 HA LYS 48 -4.367 -1.575 -4.894 373 HB2 LYS 48 1HB LYS 48 -6.639 -2.785 -4.921 374 HB3 LYS 48 2HB LYS 48 -7.067 -1.684 -6.222 375 HG2 LYS 48 1HG LYS 48 -4.636 -2.614 -7.048 376 HG3 LYS 48 2HG LYS 48 -5.306 -4.020 -6.222 377 HD2 LYS 48 1HD LYS 48 -5.964 -4.213 -8.476 378 HD3 LYS 48 2HD LYS 48 -7.396 -3.671 -7.601 379 HE2 LYS 48 1HE LYS 48 -7.069 -1.417 -8.357 380 HE3 LYS 48 2HE LYS 48 -5.519 -1.838 -9.083 381 HZ1 LYS 48 1HZ LYS 48 -8.169 -2.872 -9.929 382 HZ2 LYS 48 2HZ LYS 48 -6.681 -3.303 -10.621 383 HZ3 LYS 48 3HZ LYS 48 -7.250 -1.711 -10.747 384 H CYS 49 H CYS 49 -6.976 0.648 -5.820 385 HA CYS 49 HA CYS 49 -5.943 1.571 -8.220 386 HB2 CYS 49 1HB CYS 49 -8.172 2.110 -7.657 387 HB3 CYS 49 2HB CYS 49 -7.700 2.917 -6.163 388 H VAL 50 H VAL 50 -5.443 2.864 -4.944 389 HA VAL 50 HA VAL 50 -3.945 5.104 -5.678 390 HB VAL 50 HB VAL 50 -3.972 3.552 -3.091 391 HG11 VAL 50 1HG1 VAL 50 -1.951 4.864 -3.193 392 HG12 VAL 50 2HG1 VAL 50 -3.085 5.622 -2.075 393 HG13 VAL 50 3HG1 VAL 50 -2.860 6.289 -3.693 394 HG21 VAL 50 1HG2 VAL 50 -5.407 5.486 -2.379 395 HG22 VAL 50 2HG2 VAL 50 -6.128 4.386 -3.551 396 HG23 VAL 50 3HG2 VAL 50 -5.488 5.939 -4.083 397 H PHE 51 H PHE 51 -2.967 1.881 -4.641 398 HA PHE 51 HA PHE 51 -0.198 2.391 -4.660 399 HB2 PHE 51 1HB PHE 51 -1.941 -0.018 -4.479 400 HB3 PHE 51 2HB PHE 51 -0.236 -0.264 -4.849 401 HD1 PHE 51 HD1 PHE 51 0.277 -1.423 -2.831 402 HD2 PHE 51 HD2 PHE 51 -1.486 2.449 -2.696 403 HE1 PHE 51 HE1 PHE 51 0.773 -1.283 -0.427 404 HE2 PHE 51 HE2 PHE 51 -0.990 2.595 -0.292 405 HZ PHE 51 HZ PHE 51 0.142 0.728 0.844 406 H ASN 52 H ASN 52 -2.490 1.492 -7.087 407 HA ASN 52 HA ASN 52 -0.585 0.448 -8.971 408 HB2 ASN 52 1HB ASN 52 -2.972 -0.277 -8.886 409 HB3 ASN 52 2HB ASN 52 -3.449 1.336 -9.423 410 HD21 ASN 52 1HD2 ASN 52 -0.644 -0.464 -10.594 411 HD22 ASN 52 2HD2 ASN 52 -1.237 -0.671 -12.206 412 H LYS 53 H LYS 53 -2.260 3.482 -8.429 413 HA LYS 53 HA LYS 53 -1.391 4.750 -10.820 414 HB2 LYS 53 1HB LYS 53 -2.644 5.677 -8.260 415 HB3 LYS 53 2HB LYS 53 -2.061 6.857 -9.426 416 HG2 LYS 53 1HG LYS 53 -3.606 6.128 -11.066 417 HG3 LYS 53 2HG LYS 53 -3.988 4.666 -10.155 418 HD2 LYS 53 1HD LYS 53 -5.783 6.277 -9.945 419 HD3 LYS 53 2HD LYS 53 -4.987 6.045 -8.389 420 HE2 LYS 53 1HE LYS 53 -5.414 8.384 -8.698 421 HE3 LYS 53 2HE LYS 53 -3.677 8.104 -8.805 422 HZ1 LYS 53 1HZ LYS 53 -5.451 8.325 -11.168 423 HZ2 LYS 53 2HZ LYS 53 -3.758 8.309 -11.152 424 HZ3 LYS 53 3HZ LYS 53 -4.600 9.632 -10.507 425 H MET 54 H MET 54 -0.068 4.390 -7.617 426 HA MET 54 HA MET 54 2.017 6.339 -8.048 427 HB2 MET 54 1HB MET 54 1.383 4.401 -5.851 428 HB3 MET 54 2HB MET 54 2.924 5.251 -5.884 429 HG2 MET 54 1HG MET 54 1.656 7.387 -5.946 430 HG3 MET 54 2HG MET 54 0.177 6.453 -5.732 431 HE1 MET 54 1HE MET 54 -0.134 4.773 -3.647 432 HE2 MET 54 2HE MET 54 0.906 4.769 -2.227 433 HE3 MET 54 3HE MET 54 1.499 4.127 -3.757 434 H GLN 55 H GLN 55 1.564 3.495 -9.453 435 HA GLN 55 HA GLN 55 2.805 1.876 -10.381 436 HB2 GLN 55 1HB GLN 55 4.807 4.086 -10.148 437 HB3 GLN 55 2HB GLN 55 5.256 2.531 -10.863 438 HG2 GLN 55 1HG GLN 55 3.484 2.803 -12.511 439 HG3 GLN 55 2HG GLN 55 3.032 4.334 -11.774 440 HE21 GLN 55 1HE2 GLN 55 3.897 3.781 -14.476 441 HE22 GLN 55 2HE2 GLN 55 5.313 4.736 -14.751 442 H LEU 56 H LEU 56 2.489 1.782 -7.554 443 HA LEU 56 HA LEU 56 5.024 0.682 -6.625 444 HB2 LEU 56 1HB LEU 56 2.820 2.147 -5.359 445 HB3 LEU 56 2HB LEU 56 3.402 0.779 -4.398 446 HG LEU 56 HG LEU 56 5.062 3.077 -5.445 447 HD11 LEU 56 1HD1 LEU 56 5.246 3.680 -3.044 448 HD12 LEU 56 2HD1 LEU 56 4.020 2.468 -2.686 449 HD13 LEU 56 3HD1 LEU 56 3.619 3.852 -3.695 450 HD21 LEU 56 1HD2 LEU 56 6.458 1.159 -5.301 451 HD22 LEU 56 2HD2 LEU 56 5.760 0.698 -3.749 452 HD23 LEU 56 3HD2 LEU 56 6.767 2.141 -3.869 453 H PHE 57 H PHE 57 1.875 -0.078 -7.590 454 HA PHE 57 HA PHE 57 2.366 -2.910 -7.164 455 HB2 PHE 57 1HB PHE 57 0.974 -2.333 -5.244 456 HB3 PHE 57 2HB PHE 57 -0.160 -1.481 -6.281 457 HD1 PHE 57 HD1 PHE 57 1.039 -4.771 -5.200 458 HD2 PHE 57 HD2 PHE 57 -1.812 -2.666 -7.560 459 HE1 PHE 57 HE1 PHE 57 -0.297 -6.823 -5.417 460 HE2 PHE 57 HE2 PHE 57 -3.147 -4.719 -7.785 461 HZ PHE 57 HZ PHE 57 -2.389 -6.798 -6.710 462 H ASP 58 H ASP 58 1.955 -3.965 -8.982 463 HA ASP 58 HA ASP 58 0.517 -2.560 -11.116 464 HB2 ASP 58 1HB ASP 58 2.756 -3.336 -11.708 465 HB3 ASP 58 2HB ASP 58 2.347 -4.973 -11.218 466 H ASP 59 H ASP 59 -1.227 -3.457 -12.149 467 HA ASP 59 HA ASP 59 -2.985 -4.886 -10.442 468 HB2 ASP 59 1HB ASP 59 -3.650 -3.144 -12.104 469 HB3 ASP 59 2HB ASP 59 -3.318 -4.289 -13.384 470 H THR 60 H THR 60 -0.589 -5.980 -12.520 471 HA THR 60 HA THR 60 -1.797 -8.660 -12.596 472 HB THR 60 HB THR 60 -0.008 -7.279 -14.577 473 HG1 THR 60 HG1 THR 60 -2.619 -7.644 -14.395 474 HG21 THR 60 1HG2 THR 60 -0.734 -10.209 -14.494 475 HG22 THR 60 2HG2 THR 60 0.874 -9.522 -14.261 476 HG23 THR 60 3HG2 THR 60 0.078 -9.391 -15.829 477 H GLU 61 H GLU 61 1.385 -7.015 -12.669 478 HA GLU 61 HA GLU 61 2.760 -9.397 -11.841 479 HB2 GLU 61 1HB GLU 61 3.958 -6.644 -11.893 480 HB3 GLU 61 2HB GLU 61 4.743 -8.198 -12.119 481 HG2 GLU 61 1HG GLU 61 3.588 -8.502 -14.229 482 HG3 GLU 61 2HG GLU 61 2.781 -6.954 -14.015 483 H GLY 62 H GLY 62 1.057 -7.131 -10.046 484 HA2 GLY 62 1HA GLY 62 0.757 -7.163 -7.741 485 HA3 GLY 62 2HA GLY 62 2.090 -8.311 -7.623 486 HA PRO 63 HA PRO 63 3.479 -4.372 -5.622 487 HB2 PRO 63 1HB PRO 63 5.086 -6.267 -4.044 488 HB3 PRO 63 2HB PRO 63 3.962 -5.016 -3.499 489 HG2 PRO 63 1HG PRO 63 3.388 -7.646 -3.317 490 HG3 PRO 63 2HG PRO 63 2.145 -6.413 -3.598 491 HD2 PRO 63 1HD PRO 63 3.416 -8.309 -5.539 492 HD3 PRO 63 2HD PRO 63 1.729 -7.745 -5.444 493 H LEU 64 H LEU 64 5.038 -3.294 -6.661 494 HA LEU 64 HA LEU 64 7.264 -4.744 -7.862 495 HB2 LEU 64 1HB LEU 64 6.705 -1.769 -7.913 496 HB3 LEU 64 2HB LEU 64 7.943 -2.603 -8.822 497 HG LEU 64 HG LEU 64 6.268 -2.177 -10.380 498 HD11 LEU 64 1HD1 LEU 64 7.111 -4.423 -10.536 499 HD12 LEU 64 2HD1 LEU 64 5.407 -4.384 -10.994 500 HD13 LEU 64 3HD1 LEU 64 5.883 -4.996 -9.409 501 HD21 LEU 64 1HD2 LEU 64 4.244 -3.245 -8.425 502 HD22 LEU 64 2HD2 LEU 64 3.911 -2.691 -10.065 503 HD23 LEU 64 3HD2 LEU 64 4.485 -1.550 -8.850 504 H VAL 65 H VAL 65 8.614 -5.406 -6.382 505 HA VAL 65 HA VAL 65 9.115 -4.378 -3.894 506 HB VAL 65 HB VAL 65 10.939 -6.001 -5.650 507 HG11 VAL 65 1HG1 VAL 65 12.253 -4.938 -3.912 508 HG12 VAL 65 2HG1 VAL 65 12.073 -6.657 -3.565 509 HG13 VAL 65 3HG1 VAL 65 11.108 -5.474 -2.683 510 HG21 VAL 65 1HG2 VAL 65 8.985 -6.750 -3.489 511 HG22 VAL 65 2HG2 VAL 65 10.099 -7.870 -4.276 512 HG23 VAL 65 3HG2 VAL 65 8.832 -7.081 -5.214 513 H ASP 66 H ASP 66 10.955 -3.703 -6.874 514 HA ASP 66 HA ASP 66 13.021 -2.275 -5.636 515 HB2 ASP 66 1HB ASP 66 13.223 -3.065 -7.912 516 HB3 ASP 66 2HB ASP 66 11.939 -1.980 -8.437 517 H ASN 67 H ASN 67 10.081 -1.001 -7.236 518 HA ASN 67 HA ASN 67 10.559 1.693 -6.598 519 HB2 ASN 67 1HB ASN 67 7.955 0.254 -7.099 520 HB3 ASN 67 2HB ASN 67 8.096 2.001 -6.946 521 HD21 ASN 67 1HD2 ASN 67 7.057 0.838 -9.233 522 HD22 ASN 67 2HD2 ASN 67 8.161 1.075 -10.543 523 H LEU 68 H LEU 68 9.085 -0.924 -4.846 524 HA LEU 68 HA LEU 68 7.926 0.523 -2.749 525 HB2 LEU 68 1HB LEU 68 8.828 -2.301 -3.114 526 HB3 LEU 68 2HB LEU 68 8.357 -1.749 -1.515 527 HG LEU 68 HG LEU 68 6.556 -1.412 -3.898 528 HD11 LEU 68 1HD1 LEU 68 7.109 -3.791 -3.675 529 HD12 LEU 68 2HD1 LEU 68 5.428 -3.463 -3.259 530 HD13 LEU 68 3HD1 LEU 68 6.616 -3.742 -1.983 531 HD21 LEU 68 1HD2 LEU 68 6.073 -0.075 -1.913 532 HD22 LEU 68 2HD2 LEU 68 6.035 -1.540 -0.934 533 HD23 LEU 68 3HD2 LEU 68 4.826 -1.289 -2.195 534 H VAL 69 H VAL 69 11.168 -0.835 -3.122 535 HA VAL 69 HA VAL 69 12.078 -0.048 -0.535 536 HB VAL 69 HB VAL 69 13.661 -0.684 -3.019 537 HG11 VAL 69 1HG1 VAL 69 14.471 -0.485 -0.126 538 HG12 VAL 69 2HG1 VAL 69 15.023 0.532 -1.458 539 HG13 VAL 69 3HG1 VAL 69 15.482 -1.171 -1.401 540 HG21 VAL 69 1HG2 VAL 69 12.939 -2.449 -0.688 541 HG22 VAL 69 2HG2 VAL 69 13.885 -2.905 -2.107 542 HG23 VAL 69 3HG2 VAL 69 12.176 -2.501 -2.279 543 H HIS 70 H HIS 70 12.264 1.388 -3.768 544 HA HIS 70 HA HIS 70 13.968 3.530 -3.056 545 HB2 HIS 70 1HB HIS 70 12.070 3.077 -5.337 546 HB3 HIS 70 2HB HIS 70 12.866 4.634 -5.133 547 HD1 HIS 70 HD1 HIS 70 15.083 4.851 -6.227 548 HD2 HIS 70 HD2 HIS 70 14.064 0.874 -5.573 549 HE1 HIS 70 HE1 HIS 70 16.879 3.495 -7.345 550 HE2 HIS 70 HE2 HIS 70 16.127 1.105 -7.107 551 H GLN 71 H GLN 71 10.563 3.029 -2.691 552 HA GLN 71 HA GLN 71 10.054 5.821 -2.027 553 HB2 GLN 71 1HB GLN 71 8.426 4.331 -3.302 554 HB3 GLN 71 2HB GLN 71 8.143 3.504 -1.773 555 HG2 GLN 71 1HG GLN 71 6.414 5.125 -2.136 556 HG3 GLN 71 2HG GLN 71 7.412 5.605 -0.764 557 HE21 GLN 71 1HE2 GLN 71 6.862 7.764 -0.902 558 HE22 GLN 71 2HE2 GLN 71 7.417 8.784 -2.178 559 H LEU 72 H LEU 72 9.547 2.691 -0.395 560 HA LEU 72 HA LEU 72 8.853 3.794 2.067 561 HB2 LEU 72 1HB LEU 72 9.857 1.061 1.343 562 HB3 LEU 72 2HB LEU 72 9.405 1.490 2.980 563 HG LEU 72 HG LEU 72 7.547 1.646 0.606 564 HD11 LEU 72 1HD1 LEU 72 7.747 -0.441 2.781 565 HD12 LEU 72 2HD1 LEU 72 8.179 -0.668 1.087 566 HD13 LEU 72 3HD1 LEU 72 6.500 -0.362 1.534 567 HD21 LEU 72 1HD2 LEU 72 5.814 1.753 2.413 568 HD22 LEU 72 2HD2 LEU 72 6.846 3.177 2.296 569 HD23 LEU 72 3HD2 LEU 72 7.124 1.988 3.571 570 H ALA 73 H ALA 73 11.994 2.556 0.960 571 HA ALA 73 HA ALA 73 13.288 3.000 3.464 572 HB1 ALA 73 1HB ALA 73 14.023 1.312 1.854 573 HB2 ALA 73 2HB ALA 73 15.321 2.422 2.303 574 HB3 ALA 73 3HB ALA 73 14.507 2.597 0.749 575 H HIS 74 H HIS 74 11.930 5.314 2.500 576 HA HIS 74 HA HIS 74 13.616 7.278 1.388 577 HB2 HIS 74 1HB HIS 74 11.135 7.442 1.526 578 HB3 HIS 74 2HB HIS 74 11.263 7.625 3.273 579 HD1 HIS 74 HD1 HIS 74 11.647 9.937 4.161 580 HD2 HIS 74 HD2 HIS 74 12.126 9.704 0.037 581 HE1 HIS 74 HE1 HIS 74 11.825 12.312 3.367 582 HE2 HIS 74 HE2 HIS 74 11.943 12.150 0.858 583 H GLY 75 H GLY 75 15.624 7.191 2.410 584 HA2 GLY 75 1HA GLY 75 17.151 8.145 3.875 585 HA3 GLY 75 2HA GLY 75 15.811 8.708 4.863 586 H ARG 76 H ARG 76 16.203 5.365 3.874 587 HA ARG 76 HA ARG 76 17.224 4.620 6.495 588 HB2 ARG 76 1HB ARG 76 14.437 4.201 5.620 589 HB3 ARG 76 2HB ARG 76 15.209 2.815 6.383 590 HG2 ARG 76 1HG ARG 76 15.777 4.271 8.310 591 HG3 ARG 76 2HG ARG 76 14.857 5.571 7.554 592 HD2 ARG 76 1HD ARG 76 12.849 4.207 7.627 593 HD3 ARG 76 2HD ARG 76 13.758 2.880 8.340 594 HE ARG 76 HE ARG 76 14.159 4.444 10.254 595 HH11 ARG 76 1HH1 ARG 76 11.395 4.918 8.157 596 HH12 ARG 76 2HH1 ARG 76 10.407 5.604 9.407 597 HH21 ARG 76 1HH2 ARG 76 12.859 5.360 11.895 598 HH22 ARG 76 2HH2 ARG 76 11.239 5.853 11.529 599 H ASP 77 H ASP 77 17.518 2.206 6.647 600 HA ASP 77 HA ASP 77 19.232 1.322 4.644 601 HB2 ASP 77 1HB ASP 77 17.817 -0.245 6.802 602 HB3 ASP 77 2HB ASP 77 19.131 -0.873 5.816 603 H ALA 78 H ALA 78 18.567 1.077 2.652 604 HA ALA 78 HA ALA 78 16.025 0.299 1.790 605 HB1 ALA 78 1HB ALA 78 18.638 0.124 0.306 606 HB2 ALA 78 2HB ALA 78 17.619 1.558 0.432 607 HB3 ALA 78 3HB ALA 78 17.027 0.129 -0.411 608 H GLU 79 H GLU 79 18.963 -1.593 2.288 609 HA GLU 79 HA GLU 79 18.141 -3.962 1.034 610 HB2 GLU 79 1HB GLU 79 20.015 -3.537 3.357 611 HB3 GLU 79 2HB GLU 79 19.804 -5.080 2.542 612 HG2 GLU 79 1HG GLU 79 20.549 -4.033 0.442 613 HG3 GLU 79 2HG GLU 79 20.844 -2.536 1.321 614 H GLU 80 H GLU 80 17.830 -2.913 4.395 615 HA GLU 80 HA GLU 80 16.566 -5.283 5.298 616 HB2 GLU 80 1HB GLU 80 16.634 -2.506 6.475 617 HB3 GLU 80 2HB GLU 80 16.061 -3.944 7.316 618 HG2 GLU 80 1HG GLU 80 18.319 -4.941 6.929 619 HG3 GLU 80 2HG GLU 80 18.838 -3.371 6.348 620 H VAL 81 H VAL 81 15.391 -2.122 4.228 621 HA VAL 81 HA VAL 81 12.668 -2.474 4.651 622 HB VAL 81 HB VAL 81 14.120 -0.966 2.481 623 HG11 VAL 81 1HG1 VAL 81 12.003 0.258 2.124 624 HG12 VAL 81 2HG1 VAL 81 11.186 -0.902 3.177 625 HG13 VAL 81 3HG1 VAL 81 11.892 -1.439 1.653 626 HG21 VAL 81 1HG2 VAL 81 12.839 -0.152 5.072 627 HG22 VAL 81 2HG2 VAL 81 13.474 0.969 3.868 628 HG23 VAL 81 3HG2 VAL 81 14.560 -0.156 4.680 629 H ARG 82 H ARG 82 14.562 -3.234 1.722 630 HA ARG 82 HA ARG 82 12.643 -4.354 0.110 631 HB2 ARG 82 1HB ARG 82 15.065 -3.968 -0.417 632 HB3 ARG 82 2HB ARG 82 15.432 -5.442 0.466 633 HG2 ARG 82 1HG ARG 82 13.978 -6.687 -1.094 634 HG3 ARG 82 2HG ARG 82 13.767 -5.201 -2.015 635 HD2 ARG 82 1HD ARG 82 16.222 -5.080 -2.292 636 HD3 ARG 82 2HD ARG 82 16.354 -6.641 -1.488 637 HE ARG 82 HE ARG 82 14.599 -7.028 -3.572 638 HH11 ARG 82 1HH1 ARG 82 17.924 -5.997 -3.215 639 HH12 ARG 82 2HH1 ARG 82 18.412 -6.606 -4.763 640 HH21 ARG 82 1HH2 ARG 82 15.235 -7.835 -5.604 641 HH22 ARG 82 2HH2 ARG 82 16.880 -7.659 -6.125 642 H THR 83 H THR 83 14.514 -5.924 2.656 643 HA THR 83 HA THR 83 13.598 -8.537 2.323 644 HB THR 83 HB THR 83 14.643 -7.018 4.704 645 HG1 THR 83 HG1 THR 83 15.785 -8.077 2.621 646 HG21 THR 83 1HG2 THR 83 13.193 -8.787 5.573 647 HG22 THR 83 2HG2 THR 83 14.891 -9.145 5.889 648 HG23 THR 83 3HG2 THR 83 14.041 -9.976 4.585 649 H GLU 84 H GLU 84 12.431 -5.981 4.504 650 HA GLU 84 HA GLU 84 10.394 -7.498 5.676 651 HB2 GLU 84 1HB GLU 84 10.556 -4.497 5.441 652 HB3 GLU 84 2HB GLU 84 9.572 -5.405 6.582 653 HG2 GLU 84 1HG GLU 84 11.784 -6.431 7.358 654 HG3 GLU 84 2HG GLU 84 12.541 -5.094 6.496 655 H VAL 85 H VAL 85 10.328 -5.575 2.684 656 HA VAL 85 HA VAL 85 7.446 -5.702 2.543 657 HB VAL 85 HB VAL 85 7.488 -4.507 0.630 658 HG11 VAL 85 1HG1 VAL 85 9.267 -2.915 0.520 659 HG12 VAL 85 2HG1 VAL 85 10.301 -3.960 1.491 660 HG13 VAL 85 3HG1 VAL 85 8.843 -3.262 2.196 661 HG21 VAL 85 1HG2 VAL 85 10.074 -5.767 -0.274 662 HG22 VAL 85 2HG2 VAL 85 9.027 -4.709 -1.221 663 HG23 VAL 85 3HG2 VAL 85 8.462 -6.312 -0.741 664 H LEU 86 H LEU 86 10.115 -7.698 1.485 665 HA LEU 86 HA LEU 86 8.708 -9.228 -0.421 666 HB2 LEU 86 1HB LEU 86 11.204 -9.743 1.174 667 HB3 LEU 86 2HB LEU 86 10.566 -10.914 0.022 668 HG LEU 86 HG LEU 86 11.247 -8.088 -0.743 669 HD11 LEU 86 1HD1 LEU 86 12.969 -10.551 -0.960 670 HD12 LEU 86 2HD1 LEU 86 13.236 -9.205 0.148 671 HD13 LEU 86 3HD1 LEU 86 13.353 -8.950 -1.594 672 HD21 LEU 86 1HD2 LEU 86 9.747 -9.196 -2.260 673 HD22 LEU 86 2HD2 LEU 86 10.781 -10.624 -2.295 674 HD23 LEU 86 3HD2 LEU 86 11.347 -9.107 -2.996 675 H LYS 87 H LYS 87 8.957 -9.478 3.060 676 HA LYS 87 HA LYS 87 7.892 -12.150 3.149 677 HB2 LYS 87 1HB LYS 87 7.882 -11.894 5.545 678 HB3 LYS 87 2HB LYS 87 9.381 -11.229 4.917 679 HG2 LYS 87 1HG LYS 87 8.371 -8.962 5.072 680 HG3 LYS 87 2HG LYS 87 6.972 -9.702 5.873 681 HD2 LYS 87 1HD LYS 87 8.469 -10.567 7.624 682 HD3 LYS 87 2HD LYS 87 9.832 -9.772 6.834 683 HE2 LYS 87 1HE LYS 87 8.719 -7.600 7.153 684 HE3 LYS 87 2HE LYS 87 7.403 -8.416 7.997 685 HZ1 LYS 87 1HZ LYS 87 10.244 -8.348 8.853 686 HZ2 LYS 87 2HZ LYS 87 9.007 -9.177 9.651 687 HZ3 LYS 87 3HZ LYS 87 8.970 -7.492 9.560 688 H CYS 88 H CYS 88 6.594 -9.170 2.527 689 HA CYS 88 HA CYS 88 3.924 -9.958 3.446 690 HB2 CYS 88 1HB CYS 88 5.148 -7.309 2.737 691 HB3 CYS 88 2HB CYS 88 3.386 -7.511 2.727 692 H VAL 89 H VAL 89 5.925 -9.614 0.683 693 HA VAL 89 HA VAL 89 3.886 -9.440 -1.300 694 HB VAL 89 HB VAL 89 6.721 -10.469 -1.523 695 HG11 VAL 89 1HG1 VAL 89 6.419 -10.041 -3.948 696 HG12 VAL 89 2HG1 VAL 89 4.708 -9.727 -3.638 697 HG13 VAL 89 3HG1 VAL 89 5.380 -11.326 -3.329 698 HG21 VAL 89 1HG2 VAL 89 6.723 -8.159 -0.858 699 HG22 VAL 89 2HG2 VAL 89 5.537 -7.757 -2.101 700 HG23 VAL 89 3HG2 VAL 89 7.162 -8.261 -2.563 701 H ASP 90 H ASP 90 2.689 -11.013 -2.174 702 HA ASP 90 HA ASP 90 3.368 -13.804 -1.720 703 HB2 ASP 90 1HB ASP 90 1.949 -12.999 0.208 704 HB3 ASP 90 2HB ASP 90 0.665 -12.694 -0.965 705 H LYS 91 H LYS 91 2.002 -15.266 -2.985 706 HA LYS 91 HA LYS 91 1.656 -14.304 -5.656 707 HB2 LYS 91 1HB LYS 91 0.677 -16.950 -4.601 708 HB3 LYS 91 2HB LYS 91 1.139 -16.535 -6.243 709 HG2 LYS 91 1HG LYS 91 3.041 -16.641 -3.933 710 HG3 LYS 91 2HG LYS 91 2.770 -17.956 -5.073 711 HD2 LYS 91 1HD LYS 91 3.489 -16.494 -6.908 712 HD3 LYS 91 2HD LYS 91 3.782 -15.197 -5.748 713 HE2 LYS 91 1HE LYS 91 5.176 -17.869 -5.844 714 HE3 LYS 91 2HE LYS 91 5.862 -16.312 -6.307 715 HZ1 LYS 91 1HZ LYS 91 5.550 -15.576 -3.999 716 HZ2 LYS 91 2HZ LYS 91 6.595 -16.894 -4.118 717 HZ3 LYS 91 3HZ LYS 91 5.009 -17.123 -3.581 718 H ASN 92 H ASN 92 -0.292 -14.488 -6.905 719 HA ASN 92 HA ASN 92 -2.574 -13.454 -5.451 720 HB2 ASN 92 1HB ASN 92 -1.839 -12.476 -7.636 721 HB3 ASN 92 2HB ASN 92 -2.306 -13.982 -8.412 722 HD21 ASN 92 1HD2 ASN 92 -3.801 -12.873 -9.697 723 HD22 ASN 92 2HD2 ASN 92 -5.322 -12.338 -9.066 724 H THR 93 H THR 93 -2.377 -15.815 -4.457 725 HA THR 93 HA THR 93 -4.034 -17.720 -5.879 726 HB THR 93 HB THR 93 -3.921 -19.020 -3.755 727 HG1 THR 93 HG1 THR 93 -3.313 -18.020 -1.994 728 HG21 THR 93 1HG2 THR 93 -1.513 -19.494 -3.864 729 HG22 THR 93 2HG2 THR 93 -1.282 -18.030 -4.821 730 HG23 THR 93 3HG2 THR 93 -2.239 -19.363 -5.465 731 H ASP 94 H ASP 94 -4.535 -14.917 -4.238 732 HA ASP 94 HA ASP 94 -6.995 -15.590 -2.898 733 HB2 ASP 94 1HB ASP 94 -5.316 -13.721 -2.275 734 HB3 ASP 94 2HB ASP 94 -6.072 -12.799 -3.578 735 H ASN 95 H ASN 95 -5.936 -14.446 -5.954 736 HA ASN 95 HA ASN 95 -6.894 -14.228 -7.969 737 HB2 ASN 95 1HB ASN 95 -7.852 -16.449 -7.297 738 HB3 ASN 95 2HB ASN 95 -9.311 -15.600 -6.814 739 HD21 ASN 95 1HD2 ASN 95 -10.590 -16.615 -8.309 740 HD22 ASN 95 2HD2 ASN 95 -10.479 -16.292 -10.010 741 H ASN 96 H ASN 96 -7.213 -12.103 -6.067 742 HA ASN 96 HA ASN 96 -9.297 -10.652 -7.449 743 HB2 ASN 96 1HB ASN 96 -10.599 -11.554 -5.638 744 HB3 ASN 96 2HB ASN 96 -9.372 -11.111 -4.456 745 HD21 ASN 96 1HD2 ASN 96 -11.963 -10.015 -6.465 746 HD22 ASN 96 2HD2 ASN 96 -12.132 -8.445 -5.753 747 H ALA 97 H ALA 97 -8.446 -8.745 -7.970 748 HA ALA 97 HA ALA 97 -5.811 -8.112 -7.199 749 HB1 ALA 97 1HB ALA 97 -6.016 -6.192 -8.628 750 HB2 ALA 97 2HB ALA 97 -7.772 -6.339 -8.635 751 HB3 ALA 97 3HB ALA 97 -6.781 -7.579 -9.400 752 H CYS 98 H CYS 98 -8.937 -6.757 -6.213 753 HA CYS 98 HA CYS 98 -7.906 -4.515 -4.837 754 HB2 CYS 98 1HB CYS 98 -10.444 -6.056 -4.231 755 HB3 CYS 98 2HB CYS 98 -10.051 -4.443 -3.646 756 H HIS 99 H HIS 99 -8.582 -7.826 -3.751 757 HA HIS 99 HA HIS 99 -7.874 -7.183 -1.031 758 HB2 HIS 99 1HB HIS 99 -9.559 -8.952 -1.713 759 HB3 HIS 99 2HB HIS 99 -8.195 -9.936 -2.224 760 HD1 HIS 99 HD1 HIS 99 -8.134 -11.748 -0.533 761 HD2 HIS 99 HD2 HIS 99 -8.506 -7.988 1.210 762 HE1 HIS 99 HE1 HIS 99 -7.955 -12.124 1.949 763 HE2 HIS 99 HE2 HIS 99 -8.396 -9.870 2.978 764 H TRP 100 H TRP 100 -6.281 -8.458 -3.846 765 HA TRP 100 HA TRP 100 -4.078 -9.689 -2.617 766 HB2 TRP 100 1HB TRP 100 -4.668 -9.961 -5.012 767 HB3 TRP 100 2HB TRP 100 -4.157 -8.301 -5.313 768 HD1 TRP 100 HD1 TRP 100 -1.835 -10.047 -2.967 769 HE1 TRP 100 HE1 TRP 100 0.301 -10.764 -4.214 770 HE3 TRP 100 HE3 TRP 100 -3.390 -9.263 -7.778 771 HZ2 TRP 100 HZ2 TRP 100 1.202 -10.981 -6.870 772 HZ3 TRP 100 HZ3 TRP 100 -1.826 -9.753 -9.610 773 HH2 TRP 100 HH2 TRP 100 0.417 -10.599 -9.171 774 H ALA 101 H ALA 101 -4.357 -6.416 -4.010 775 HA ALA 101 HA ALA 101 -1.857 -5.490 -3.099 776 HB1 ALA 101 1HB ALA 101 -2.744 -3.247 -3.544 777 HB2 ALA 101 2HB ALA 101 -4.362 -3.930 -3.711 778 HB3 ALA 101 3HB ALA 101 -3.098 -4.366 -4.861 779 H PHE 102 H PHE 102 -5.051 -5.537 -1.660 780 HA PHE 102 HA PHE 102 -4.482 -3.862 0.518 781 HB2 PHE 102 1HB PHE 102 -6.755 -4.382 -0.237 782 HB3 PHE 102 2HB PHE 102 -6.566 -6.040 0.323 783 HD1 PHE 102 HD1 PHE 102 -6.506 -2.514 1.475 784 HD2 PHE 102 HD2 PHE 102 -7.164 -6.589 2.522 785 HE1 PHE 102 HE1 PHE 102 -7.329 -1.810 3.683 786 HE2 PHE 102 HE2 PHE 102 -7.989 -5.890 4.730 787 HZ PHE 102 HZ PHE 102 -8.071 -3.497 5.314 788 H ARG 103 H ARG 103 -3.944 -7.260 -0.071 789 HA ARG 103 HA ARG 103 -3.462 -8.048 2.615 790 HB2 ARG 103 1HB ARG 103 -2.578 -9.226 -0.011 791 HB3 ARG 103 2HB ARG 103 -2.169 -9.951 1.534 792 HG2 ARG 103 1HG ARG 103 -4.572 -10.152 2.038 793 HG3 ARG 103 2HG ARG 103 -4.938 -9.510 0.439 794 HD2 ARG 103 1HD ARG 103 -5.076 -11.957 0.482 795 HD3 ARG 103 2HD ARG 103 -3.796 -11.411 -0.600 796 HE ARG 103 HE ARG 103 -3.141 -12.200 2.151 797 HH11 ARG 103 1HH1 ARG 103 -2.851 -12.791 -1.306 798 HH12 ARG 103 2HH1 ARG 103 -1.575 -13.954 -1.118 799 HH21 ARG 103 1HH2 ARG 103 -1.473 -13.735 2.374 800 HH22 ARG 103 2HH2 ARG 103 -0.814 -14.494 0.958 801 H GLY 104 H GLY 104 -1.360 -6.977 -0.020 802 HA2 GLY 104 1HA GLY 104 1.098 -7.266 1.341 803 HA3 GLY 104 2HA GLY 104 0.800 -6.196 -0.033 804 H PHE 105 H PHE 105 -1.092 -4.504 1.009 805 HA PHE 105 HA PHE 105 0.506 -2.667 2.417 806 HB2 PHE 105 1HB PHE 105 -1.166 -1.807 0.978 807 HB3 PHE 105 2HB PHE 105 -2.426 -2.748 1.759 808 HD1 PHE 105 HD1 PHE 105 0.206 -0.406 2.992 809 HD2 PHE 105 HD2 PHE 105 -3.944 -1.352 2.798 810 HE1 PHE 105 HE1 PHE 105 -0.312 1.549 4.399 811 HE2 PHE 105 HE2 PHE 105 -4.456 0.591 4.209 812 HZ PHE 105 HZ PHE 105 -2.640 2.044 5.013 813 H LYS 106 H LYS 106 -2.177 -4.746 3.413 814 HA LYS 106 HA LYS 106 -2.411 -3.753 6.029 815 HB2 LYS 106 1HB LYS 106 -4.290 -4.893 5.406 816 HB3 LYS 106 2HB LYS 106 -3.400 -6.169 4.581 817 HG2 LYS 106 1HG LYS 106 -2.784 -7.096 6.785 818 HG3 LYS 106 2HG LYS 106 -3.749 -5.831 7.554 819 HD2 LYS 106 1HD LYS 106 -5.754 -6.659 6.457 820 HD3 LYS 106 2HD LYS 106 -4.808 -7.883 5.610 821 HE2 LYS 106 1HE LYS 106 -4.219 -8.909 7.748 822 HE3 LYS 106 2HE LYS 106 -5.151 -7.681 8.601 823 HZ1 LYS 106 1HZ LYS 106 -7.154 -8.486 7.563 824 HZ2 LYS 106 2HZ LYS 106 -6.361 -9.776 8.327 825 HZ3 LYS 106 3HZ LYS 106 -6.275 -9.610 6.649 826 H CYS 107 H CYS 107 -0.588 -6.465 4.692 827 HA CYS 107 HA CYS 107 0.368 -7.533 7.086 828 HB2 CYS 107 1HB CYS 107 0.569 -8.845 5.127 829 HB3 CYS 107 2HB CYS 107 1.418 -7.577 4.253 830 H PHE 108 H PHE 108 1.671 -5.016 4.969 831 HA PHE 108 HA PHE 108 4.153 -4.838 6.361 832 HB2 PHE 108 1HB PHE 108 3.671 -4.287 3.909 833 HB3 PHE 108 2HB PHE 108 3.062 -2.742 4.507 834 HD1 PHE 108 HD1 PHE 108 6.017 -4.910 4.225 835 HD2 PHE 108 HD2 PHE 108 4.576 -1.033 5.223 836 HE1 PHE 108 HE1 PHE 108 8.321 -4.062 4.243 837 HE2 PHE 108 HE2 PHE 108 6.879 -0.179 5.236 838 HZ PHE 108 HZ PHE 108 8.755 -1.694 4.741 839 H GLN 109 H GLN 109 1.244 -2.782 6.233 840 HA GLN 109 HA GLN 109 2.272 -0.785 7.963 841 HB2 GLN 109 1HB GLN 109 0.052 0.129 7.972 842 HB3 GLN 109 2HB GLN 109 0.436 -0.403 6.345 843 HG2 GLN 109 1HG GLN 109 -1.559 -1.385 6.381 844 HG3 GLN 109 2HG GLN 109 -0.811 -2.598 7.425 845 HE21 GLN 109 1HE2 GLN 109 -2.720 -3.029 8.498 846 HE22 GLN 109 2HE2 GLN 109 -3.445 -1.922 9.610 847 H LYS 110 H LYS 110 1.158 -3.902 8.590 848 HA LYS 110 HA LYS 110 0.066 -3.434 11.199 849 HB2 LYS 110 1HB LYS 110 -0.464 -5.378 9.678 850 HB3 LYS 110 2HB LYS 110 1.128 -6.015 10.053 851 HG2 LYS 110 1HG LYS 110 0.438 -5.952 12.472 852 HG3 LYS 110 2HG LYS 110 -1.193 -5.609 11.902 853 HD2 LYS 110 1HD LYS 110 -0.959 -7.694 10.462 854 HD3 LYS 110 2HD LYS 110 0.457 -8.076 11.442 855 HE2 LYS 110 1HE LYS 110 -1.445 -9.227 12.353 856 HE3 LYS 110 2HE LYS 110 -0.976 -7.945 13.466 857 HZ1 LYS 110 1HZ LYS 110 -3.203 -7.806 11.505 858 HZ2 LYS 110 2HZ LYS 110 -2.753 -6.569 12.569 859 HZ3 LYS 110 3HZ LYS 110 -3.366 -8.022 13.174 860 H ASN 111 H ASN 111 3.203 -3.922 9.842 861 HA ASN 111 HA ASN 111 4.342 -4.290 12.537 862 HB2 ASN 111 1HB ASN 111 5.467 -5.253 9.899 863 HB3 ASN 111 2HB ASN 111 6.218 -5.453 11.476 864 HD21 ASN 111 1HD2 ASN 111 3.637 -6.487 9.379 865 HD22 ASN 111 2HD2 ASN 111 3.214 -7.899 10.276 866 H ASN 112 H ASN 112 4.395 -2.460 9.589 867 HA ASN 112 HA ASN 112 6.493 -0.730 10.696 868 HB2 ASN 112 1HB ASN 112 6.507 -2.032 7.975 869 HB3 ASN 112 2HB ASN 112 7.468 -0.600 8.358 870 HD21 ASN 112 1HD2 ASN 112 8.018 -3.520 7.712 871 HD22 ASN 112 2HD2 ASN 112 9.197 -3.972 8.899 872 H LEU 113 H LEU 113 4.238 0.358 11.012 873 HA LEU 113 HA LEU 113 3.186 1.582 8.625 874 HB2 LEU 113 1HB LEU 113 1.632 1.018 10.372 875 HB3 LEU 113 2HB LEU 113 2.503 2.005 11.531 876 HG LEU 113 HG LEU 113 1.878 4.015 10.188 877 HD11 LEU 113 1HD1 LEU 113 1.593 2.830 8.041 878 HD12 LEU 113 2HD1 LEU 113 0.199 3.825 8.467 879 HD13 LEU 113 3HD1 LEU 113 0.131 2.077 8.682 880 HD21 LEU 113 1HD2 LEU 113 -0.449 4.056 10.907 881 HD22 LEU 113 2HD2 LEU 113 0.567 3.307 12.139 882 HD23 LEU 113 3HD2 LEU 113 -0.433 2.303 11.092 883 H SER 114 H SER 114 5.474 2.363 11.089 884 HA SER 114 HA SER 114 5.448 5.189 10.821 885 HB2 SER 114 1HB SER 114 7.726 3.403 11.716 886 HB3 SER 114 2HB SER 114 7.594 5.138 11.994 887 HG SER 114 HG SER 114 5.808 3.152 12.972 888 H LEU 115 H LEU 115 7.194 2.619 9.157 889 HA LEU 115 HA LEU 115 8.950 4.291 7.702 890 HB2 LEU 115 1HB LEU 115 9.216 1.841 8.027 891 HB3 LEU 115 2HB LEU 115 7.879 1.585 6.927 892 HG LEU 115 HG LEU 115 9.197 2.678 5.129 893 HD11 LEU 115 1HD1 LEU 115 11.371 2.636 7.210 894 HD12 LEU 115 2HD1 LEU 115 10.632 4.066 6.491 895 HD13 LEU 115 3HD1 LEU 115 11.608 2.984 5.498 896 HD21 LEU 115 1HD2 LEU 115 10.555 0.341 6.462 897 HD22 LEU 115 2HD2 LEU 115 10.723 0.817 4.773 898 HD23 LEU 115 3HD2 LEU 115 9.168 0.245 5.378 899 H ILE 116 H ILE 116 5.693 3.136 7.166 900 HA ILE 116 HA ILE 116 5.431 3.960 4.484 901 HB ILE 116 HB ILE 116 3.356 3.493 6.629 902 HG12 ILE 116 1HG1 ILE 116 4.185 1.840 4.231 903 HG13 ILE 116 2HG1 ILE 116 4.700 1.540 5.895 904 HG21 ILE 116 1HG2 ILE 116 2.427 5.026 4.999 905 HG22 ILE 116 2HG2 ILE 116 1.715 3.423 4.791 906 HG23 ILE 116 3HG2 ILE 116 2.965 3.984 3.681 907 HD11 ILE 116 1HD1 ILE 116 1.899 1.394 4.819 908 HD12 ILE 116 2HD1 ILE 116 2.335 1.194 6.514 909 HD13 ILE 116 3HD1 ILE 116 2.913 0.042 5.310 910 H LYS 117 H LYS 117 4.605 5.504 7.561 911 HA LYS 117 HA LYS 117 3.596 7.909 6.515 912 HB2 LYS 117 1HB LYS 117 4.857 7.191 9.149 913 HB3 LYS 117 2HB LYS 117 4.267 8.811 8.813 914 HG2 LYS 117 1HG LYS 117 2.027 8.018 8.559 915 HG3 LYS 117 2HG LYS 117 2.552 6.337 8.632 916 HD2 LYS 117 1HD LYS 117 3.189 6.567 10.930 917 HD3 LYS 117 2HD LYS 117 2.933 8.311 10.881 918 HE2 LYS 117 1HE LYS 117 0.736 6.310 10.405 919 HE3 LYS 117 2HE LYS 117 1.125 6.946 12.001 920 HZ1 LYS 117 1HZ LYS 117 -0.666 8.191 11.011 921 HZ2 LYS 117 2HZ LYS 117 0.272 8.550 9.650 922 HZ3 LYS 117 3HZ LYS 117 0.697 9.182 11.161 923 H ALA 118 H ALA 118 6.852 6.837 7.269 924 HA ALA 118 HA ALA 118 8.069 9.406 6.992 925 HB1 ALA 118 1HB ALA 118 9.011 7.645 8.379 926 HB2 ALA 118 2HB ALA 118 10.157 8.197 7.159 927 HB3 ALA 118 3HB ALA 118 9.300 6.670 6.940 928 H SER 119 H SER 119 7.406 6.748 4.830 929 HA SER 119 HA SER 119 9.272 7.402 2.833 930 HB2 SER 119 1HB SER 119 8.037 5.883 1.399 931 HB3 SER 119 2HB SER 119 8.141 5.207 3.022 932 HG SER 119 HG SER 119 5.994 6.022 3.374 933 H ILE 120 H ILE 120 6.091 8.631 3.531 934 HA ILE 120 HA ILE 120 6.023 10.081 0.993 935 HB ILE 120 HB ILE 120 3.715 10.696 1.624 936 HG12 ILE 120 1HG1 ILE 120 4.056 8.800 3.946 937 HG13 ILE 120 2HG1 ILE 120 4.155 10.554 4.110 938 HG21 ILE 120 1HG2 ILE 120 4.097 8.722 0.277 939 HG22 ILE 120 2HG2 ILE 120 2.752 8.446 1.384 940 HG23 ILE 120 3HG2 ILE 120 4.335 7.752 1.731 941 HD11 ILE 120 1HD1 ILE 120 1.860 10.724 3.234 942 HD12 ILE 120 2HD1 ILE 120 1.964 9.798 4.731 943 HD13 ILE 120 3HD1 ILE 120 1.776 8.963 3.188 944 H LYS 121 H LYS 121 7.457 10.584 3.806 945 HA LYS 121 HA LYS 121 6.593 13.225 4.486 946 HB2 LYS 121 1HB LYS 121 7.694 11.688 6.086 947 HB3 LYS 121 2HB LYS 121 9.178 11.799 5.153 948 HG2 LYS 121 1HG LYS 121 9.405 13.234 7.034 949 HG3 LYS 121 2HG LYS 121 9.166 14.268 5.624 950 HD2 LYS 121 1HD LYS 121 6.860 14.622 6.204 951 HD3 LYS 121 2HD LYS 121 6.966 13.444 7.513 952 HE2 LYS 121 1HE LYS 121 8.633 14.880 8.628 953 HE3 LYS 121 2HE LYS 121 8.439 16.069 7.344 954 HZ1 LYS 121 1HZ LYS 121 6.315 15.169 9.215 955 HZ2 LYS 121 2HZ LYS 121 6.111 16.300 7.975 956 HZ3 LYS 121 3HZ LYS 121 7.128 16.651 9.275 957 H LYS 122 H LYS 122 7.046 15.026 3.403 958 HA LYS 122 HA LYS 122 9.100 14.973 1.360 959 HB2 LYS 122 1HB LYS 122 8.102 17.447 1.113 960 HB3 LYS 122 2HB LYS 122 7.383 16.043 0.344 961 HG2 LYS 122 1HG LYS 122 5.623 17.283 1.302 962 HG3 LYS 122 2HG LYS 122 5.863 15.880 2.343 963 HD2 LYS 122 1HD LYS 122 7.066 17.221 3.947 964 HD3 LYS 122 2HD LYS 122 7.011 18.619 2.872 965 HE2 LYS 122 1HE LYS 122 4.592 17.253 4.044 966 HE3 LYS 122 2HE LYS 122 5.338 18.708 4.702 967 HZ1 LYS 122 1HZ LYS 122 4.171 18.459 1.975 968 HZ2 LYS 122 2HZ LYS 122 4.853 19.858 2.647 969 HZ3 LYS 122 3HZ LYS 122 3.434 19.218 3.299 970 H ASP 123 H ASP 123 10.808 16.392 1.228 971 HA ASP 123 HA ASP 123 11.977 17.088 3.744 972 HB2 ASP 123 1HB ASP 123 12.932 17.701 0.939 973 HB3 ASP 123 2HB ASP 123 13.878 17.894 2.408 974 H21 ACD 201 H21 ACD 1 -4.563 4.803 1.861 975 H22 ACD 201 H22 ACD 1 -3.350 5.263 3.062 976 H31 ACD 201 H31 ACD 1 -2.113 6.536 1.364 977 H32 ACD 201 H32 ACD 1 -3.351 6.209 0.160 978 H41 ACD 201 H41 ACD 1 -2.870 3.782 0.290 979 H42 ACD 201 H42 ACD 1 -1.402 4.685 -0.100 980 H5 ACD 201 H5 ACD 1 -1.990 3.240 2.532 981 H6 ACD 201 H6 ACD 1 0.282 3.815 2.998 982 H71 ACD 201 H71 ACD 1 0.741 4.790 0.313 983 H72 ACD 201 H72 ACD 1 -0.155 6.094 1.093 984 H8 ACD 201 H8 ACD 1 1.710 6.429 2.751 985 H9 ACD 201 H9 ACD 1 3.826 5.573 2.063 986 H101 ACD 201 H101 ACD 1 2.773 4.776 -0.511 987 H102 ACD 201 H102 ACD 1 2.283 3.468 0.574 988 H11 ACD 201 H11 ACD 1 5.255 4.328 0.487 989 H12 ACD 201 H12 ACD 1 5.572 1.995 0.164 990 H131 ACD 201 H131 ACD 1 2.602 2.035 -0.552 991 H132 ACD 201 H132 ACD 1 3.703 0.657 -0.674 992 H14 ACD 201 H14 ACD 1 2.538 1.665 2.025 993 H15 ACD 201 H15 ACD 1 2.507 -0.680 2.456 994 H161 ACD 201 H161 ACD 1 2.786 -1.311 -0.370 995 H162 ACD 201 H162 ACD 1 4.425 -0.923 0.168 996 H171 ACD 201 H171 ACD 1 4.369 -2.649 1.863 997 H172 ACD 201 H172 ACD 1 2.645 -2.923 1.614 998 H181 ACD 201 H181 ACD 1 4.823 -3.439 -0.460 999 H182 ACD 201 H182 ACD 1 3.097 -3.733 -0.693 1000 H191 ACD 201 H191 ACD 1 4.935 -5.095 1.320 1001 H192 ACD 201 H192 ACD 1 3.182 -5.299 1.317 1002 H201 ACD 201 H201 ACD 1 5.042 -5.986 -0.974 1003 H202 ACD 201 H202 ACD 1 3.320 -6.159 -1.009 1004 H203 ACD 201 H203 ACD 1 4.265 -7.118 0.082 Start of MODEL 11 1 H1 MET 1 1H MET 1 15.807 18.765 -14.974 2 H2 MET 1 2H MET 1 16.291 19.148 -13.401 3 H3 MET 1 3H MET 1 14.656 18.897 -13.745 4 HA MET 1 HA MET 1 15.013 16.611 -14.204 5 HB2 MET 1 1HB MET 1 17.221 15.586 -13.925 6 HB3 MET 1 2HB MET 1 17.248 16.807 -15.187 7 HG2 MET 1 1HG MET 1 18.299 18.383 -13.669 8 HG3 MET 1 2HG MET 1 18.226 17.200 -12.367 9 HE1 MET 1 1HE MET 1 22.056 17.416 -13.199 10 HE2 MET 1 2HE MET 1 20.818 17.628 -11.962 11 HE3 MET 1 3HE MET 1 20.905 18.745 -13.322 12 H GLU 2 H GLU 2 14.481 18.531 -11.960 13 HA GLU 2 HA GLU 2 15.598 17.483 -9.587 14 HB2 GLU 2 1HB GLU 2 13.115 19.095 -10.091 15 HB3 GLU 2 2HB GLU 2 13.643 18.618 -8.483 16 HG2 GLU 2 1HG GLU 2 15.186 20.303 -10.429 17 HG3 GLU 2 2HG GLU 2 14.341 20.878 -8.991 18 H PHE 3 H PHE 3 15.201 15.672 -8.566 19 HA PHE 3 HA PHE 3 12.907 14.076 -9.340 20 HB2 PHE 3 1HB PHE 3 15.047 12.933 -9.088 21 HB3 PHE 3 2HB PHE 3 15.147 13.455 -7.401 22 HD1 PHE 3 HD1 PHE 3 14.211 12.140 -5.712 23 HD2 PHE 3 HD2 PHE 3 13.098 11.472 -9.761 24 HE1 PHE 3 HE1 PHE 3 12.978 10.122 -5.035 25 HE2 PHE 3 HE2 PHE 3 11.857 9.454 -9.091 26 HZ PHE 3 HZ PHE 3 11.795 8.779 -6.723 27 H THR 4 H THR 4 11.078 14.117 -8.309 28 HA THR 4 HA THR 4 11.025 15.052 -5.512 29 HB THR 4 HB THR 4 8.495 15.200 -7.003 30 HG1 THR 4 HG1 THR 4 10.142 15.952 -8.568 31 HG21 THR 4 1HG2 THR 4 8.890 15.991 -4.701 32 HG22 THR 4 2HG2 THR 4 8.285 17.248 -5.779 33 HG23 THR 4 3HG2 THR 4 9.993 17.209 -5.342 34 H VAL 5 H VAL 5 10.162 13.768 -4.067 35 HA VAL 5 HA VAL 5 9.170 11.162 -4.956 36 HB VAL 5 HB VAL 5 9.857 10.285 -2.980 37 HG11 VAL 5 1HG1 VAL 5 11.857 11.263 -2.123 38 HG12 VAL 5 2HG1 VAL 5 11.413 12.842 -2.770 39 HG13 VAL 5 3HG1 VAL 5 11.788 11.514 -3.867 40 HG21 VAL 5 1HG2 VAL 5 9.195 12.855 -1.549 41 HG22 VAL 5 2HG2 VAL 5 9.741 11.361 -0.788 42 HG23 VAL 5 3HG2 VAL 5 8.184 11.410 -1.613 43 H SER 6 H SER 6 7.196 10.334 -4.318 44 HA SER 6 HA SER 6 5.063 12.183 -4.313 45 HB2 SER 6 1HB SER 6 3.668 10.114 -3.923 46 HB3 SER 6 2HB SER 6 4.745 10.029 -5.318 47 HG SER 6 HG SER 6 5.397 9.014 -2.748 48 H THR 7 H THR 7 5.114 13.536 -2.556 49 HA THR 7 HA THR 7 5.375 12.506 0.123 50 HB THR 7 HB THR 7 5.029 14.849 0.831 51 HG1 THR 7 HG1 THR 7 4.472 15.163 -1.937 52 HG21 THR 7 1HG2 THR 7 7.059 15.779 -0.193 53 HG22 THR 7 2HG2 THR 7 7.018 14.505 -1.412 54 HG23 THR 7 3HG2 THR 7 7.280 14.096 0.283 55 H THR 8 H THR 8 3.690 13.652 1.731 56 HA THR 8 HA THR 8 1.304 12.290 1.569 57 HB THR 8 HB THR 8 1.532 14.929 2.988 58 HG1 THR 8 HG1 THR 8 2.396 12.693 4.362 59 HG21 THR 8 1HG2 THR 8 -0.593 13.809 3.198 60 HG22 THR 8 2HG2 THR 8 0.272 13.666 4.726 61 HG23 THR 8 3HG2 THR 8 0.202 12.295 3.618 62 H GLU 9 H GLU 9 2.077 15.541 0.427 63 HA GLU 9 HA GLU 9 -0.538 16.333 -0.214 64 HB2 GLU 9 1HB GLU 9 2.102 17.221 -1.371 65 HB3 GLU 9 2HB GLU 9 0.561 18.007 -1.690 66 HG2 GLU 9 1HG GLU 9 1.926 17.750 0.977 67 HG3 GLU 9 2HG GLU 9 1.762 19.216 0.008 68 H ASP 10 H ASP 10 2.008 14.851 -2.188 69 HA ASP 10 HA ASP 10 0.542 14.711 -4.590 70 HB2 ASP 10 1HB ASP 10 2.698 12.793 -3.657 71 HB3 ASP 10 2HB ASP 10 2.156 13.053 -5.314 72 H LEU 11 H LEU 11 0.859 12.557 -1.840 73 HA LEU 11 HA LEU 11 -0.528 10.374 -2.872 74 HB2 LEU 11 1HB LEU 11 0.812 10.156 -0.899 75 HB3 LEU 11 2HB LEU 11 -0.205 11.301 -0.019 76 HG LEU 11 HG LEU 11 -2.077 9.670 -0.213 77 HD11 LEU 11 1HD1 LEU 11 -1.274 8.492 -2.199 78 HD12 LEU 11 2HD1 LEU 11 -1.596 7.387 -0.865 79 HD13 LEU 11 3HD1 LEU 11 0.065 7.834 -1.260 80 HD21 LEU 11 1HD2 LEU 11 -0.439 9.848 1.730 81 HD22 LEU 11 2HD2 LEU 11 0.316 8.392 1.077 82 HD23 LEU 11 3HD2 LEU 11 -1.366 8.359 1.598 83 H GLN 12 H GLN 12 -1.694 13.213 -1.072 84 HA GLN 12 HA GLN 12 -4.354 12.338 -0.767 85 HB2 GLN 12 1HB GLN 12 -3.211 15.127 -0.900 86 HB3 GLN 12 2HB GLN 12 -4.892 14.787 -0.527 87 HG2 GLN 12 1HG GLN 12 -4.097 13.448 1.428 88 HG3 GLN 12 2HG GLN 12 -2.472 14.036 1.087 89 HE21 GLN 12 1HE2 GLN 12 -1.990 16.216 1.448 90 HE22 GLN 12 2HE2 GLN 12 -3.015 17.234 2.395 91 H ARG 13 H ARG 13 -2.672 13.864 -3.389 92 HA ARG 13 HA ARG 13 -4.905 14.666 -4.917 93 HB2 ARG 13 1HB ARG 13 -2.562 15.447 -5.252 94 HB3 ARG 13 2HB ARG 13 -2.171 13.867 -5.913 95 HG2 ARG 13 1HG ARG 13 -2.528 15.368 -7.730 96 HG3 ARG 13 2HG ARG 13 -3.909 14.252 -7.656 97 HD2 ARG 13 1HD ARG 13 -5.237 15.925 -6.537 98 HD3 ARG 13 2HD ARG 13 -3.864 17.028 -6.489 99 HE ARG 13 HE ARG 13 -4.350 16.322 -9.154 100 HH11 ARG 13 1HH1 ARG 13 -5.864 18.095 -6.558 101 HH12 ARG 13 2HH1 ARG 13 -6.692 19.198 -7.609 102 HH21 ARG 13 1HH2 ARG 13 -5.415 17.774 -10.561 103 HH22 ARG 13 2HH2 ARG 13 -6.413 19.029 -9.896 104 H TYR 14 H TYR 14 -2.969 11.701 -4.851 105 HA TYR 14 HA TYR 14 -4.272 10.499 -7.075 106 HB2 TYR 14 1HB TYR 14 -2.732 9.134 -4.859 107 HB3 TYR 14 2HB TYR 14 -3.111 8.473 -6.441 108 HD1 TYR 14 HD1 TYR 14 -0.379 9.163 -4.858 109 HD2 TYR 14 HD2 TYR 14 -2.476 10.813 -8.174 110 HE1 TYR 14 HE1 TYR 14 1.733 10.063 -5.742 111 HE2 TYR 14 HE2 TYR 14 -0.370 11.709 -9.066 112 HH TYR 14 HH TYR 14 1.862 12.365 -8.212 113 H ARG 15 H ARG 15 -4.792 10.392 -3.595 114 HA ARG 15 HA ARG 15 -6.556 8.199 -3.558 115 HB2 ARG 15 1HB ARG 15 -6.766 10.492 -1.623 116 HB3 ARG 15 2HB ARG 15 -7.120 8.799 -1.361 117 HG2 ARG 15 1HG ARG 15 -4.713 8.287 -1.613 118 HG3 ARG 15 2HG ARG 15 -4.402 10.023 -1.698 119 HD2 ARG 15 1HD ARG 15 -5.650 8.535 0.614 120 HD3 ARG 15 2HD ARG 15 -4.025 9.215 0.567 121 HE ARG 15 HE ARG 15 -5.898 11.251 0.072 122 HH11 ARG 15 1HH1 ARG 15 -4.870 9.127 2.664 123 HH12 ARG 15 2HH1 ARG 15 -5.222 10.290 3.909 124 HH21 ARG 15 1HH2 ARG 15 -6.399 12.758 1.714 125 HH22 ARG 15 2HH2 ARG 15 -6.100 12.345 3.372 126 H THR 16 H THR 16 -7.070 11.600 -4.234 127 HA THR 16 HA THR 16 -9.890 11.576 -4.006 128 HB THR 16 HB THR 16 -8.217 13.375 -5.754 129 HG1 THR 16 HG1 THR 16 -7.514 14.301 -3.975 130 HG21 THR 16 1HG2 THR 16 -10.875 13.778 -4.383 131 HG22 THR 16 2HG2 THR 16 -10.620 13.547 -6.112 132 HG23 THR 16 3HG2 THR 16 -10.009 14.996 -5.316 133 H GLU 17 H GLU 17 -7.666 11.072 -6.726 134 HA GLU 17 HA GLU 17 -9.684 10.863 -8.709 135 HB2 GLU 17 1HB GLU 17 -7.118 9.339 -8.971 136 HB3 GLU 17 2HB GLU 17 -8.023 10.207 -10.191 137 HG2 GLU 17 1HG GLU 17 -7.349 12.336 -9.138 138 HG3 GLU 17 2HG GLU 17 -6.315 11.421 -8.036 139 H CYS 18 H CYS 18 -8.191 8.526 -6.544 140 HA CYS 18 HA CYS 18 -9.474 6.260 -7.707 141 HB2 CYS 18 1HB CYS 18 -8.197 6.642 -4.993 142 HB3 CYS 18 2HB CYS 18 -8.803 5.098 -5.609 143 H VAL 19 H VAL 19 -10.283 8.526 -5.167 144 HA VAL 19 HA VAL 19 -12.443 7.098 -4.077 145 HB VAL 19 HB VAL 19 -11.577 9.957 -3.953 146 HG11 VAL 19 1HG1 VAL 19 -13.462 10.495 -2.501 147 HG12 VAL 19 2HG1 VAL 19 -14.164 8.907 -2.815 148 HG13 VAL 19 3HG1 VAL 19 -14.005 10.079 -4.129 149 HG21 VAL 19 1HG2 VAL 19 -12.030 7.796 -1.902 150 HG22 VAL 19 2HG2 VAL 19 -11.480 9.434 -1.545 151 HG23 VAL 19 3HG2 VAL 19 -10.475 8.358 -2.515 152 H SER 20 H SER 20 -12.357 9.783 -6.388 153 HA SER 20 HA SER 20 -15.140 9.828 -6.858 154 HB2 SER 20 1HB SER 20 -13.608 11.712 -7.301 155 HB3 SER 20 2HB SER 20 -12.874 10.800 -8.618 156 HG SER 20 HG SER 20 -15.647 11.134 -8.687 157 H SER 21 H SER 21 -12.685 7.702 -8.014 158 HA SER 21 HA SER 21 -14.170 6.964 -10.403 159 HB2 SER 21 1HB SER 21 -11.701 7.146 -10.464 160 HB3 SER 21 2HB SER 21 -11.591 5.849 -9.277 161 HG SER 21 HG SER 21 -13.086 5.331 -11.564 162 H LEU 22 H LEU 22 -13.149 5.472 -7.326 163 HA LEU 22 HA LEU 22 -14.489 3.006 -8.051 164 HB2 LEU 22 1HB LEU 22 -12.857 3.810 -5.653 165 HB3 LEU 22 2HB LEU 22 -13.559 2.205 -5.866 166 HG LEU 22 HG LEU 22 -11.609 3.442 -7.806 167 HD11 LEU 22 1HD1 LEU 22 -11.126 1.511 -5.543 168 HD12 LEU 22 2HD1 LEU 22 -10.516 3.161 -5.660 169 HD13 LEU 22 3HD1 LEU 22 -9.948 1.930 -6.788 170 HD21 LEU 22 1HD2 LEU 22 -12.547 0.606 -7.426 171 HD22 LEU 22 2HD2 LEU 22 -11.403 1.179 -8.641 172 HD23 LEU 22 3HD2 LEU 22 -13.086 1.699 -8.701 173 H ASN 23 H ASN 23 -15.842 5.665 -7.205 174 HA ASN 23 HA ASN 23 -17.696 6.352 -6.073 175 HB2 ASN 23 1HB ASN 23 -18.322 3.399 -6.067 176 HB3 ASN 23 2HB ASN 23 -19.463 4.680 -5.717 177 HD21 ASN 23 1HD2 ASN 23 -17.786 2.952 -8.161 178 HD22 ASN 23 2HD2 ASN 23 -18.569 3.695 -9.518 179 H ILE 24 H ILE 24 -15.416 6.030 -4.462 180 HA ILE 24 HA ILE 24 -16.021 4.610 -2.069 181 HB ILE 24 HB ILE 24 -14.018 6.841 -2.406 182 HG12 ILE 24 1HG1 ILE 24 -13.680 5.103 -4.143 183 HG13 ILE 24 2HG1 ILE 24 -12.365 5.129 -2.970 184 HG21 ILE 24 1HG2 ILE 24 -14.201 4.536 -0.472 185 HG22 ILE 24 2HG2 ILE 24 -14.428 6.248 -0.109 186 HG23 ILE 24 3HG2 ILE 24 -12.839 5.652 -0.590 187 HD11 ILE 24 1HD1 ILE 24 -14.644 3.164 -3.038 188 HD12 ILE 24 2HD1 ILE 24 -13.331 3.179 -1.859 189 HD13 ILE 24 3HD1 ILE 24 -12.986 2.861 -3.559 190 HA PRO 25 HA PRO 25 -18.826 7.719 -0.415 191 HB2 PRO 25 1HB PRO 25 -18.557 6.152 2.050 192 HB3 PRO 25 2HB PRO 25 -19.996 6.513 1.095 193 HG2 PRO 25 1HG PRO 25 -18.894 4.060 1.187 194 HG3 PRO 25 2HG PRO 25 -19.735 4.687 -0.241 195 HD2 PRO 25 1HD PRO 25 -16.801 4.404 0.263 196 HD3 PRO 25 2HD PRO 25 -17.722 4.195 -1.249 197 H ALA 26 H ALA 26 -18.631 9.453 0.883 198 HA ALA 26 HA ALA 26 -16.103 10.473 1.459 199 HB1 ALA 26 1HB ALA 26 -18.734 11.287 2.671 200 HB2 ALA 26 2HB ALA 26 -18.121 11.822 1.107 201 HB3 ALA 26 3HB ALA 26 -17.270 12.267 2.588 202 H ASP 27 H ASP 27 -18.349 8.688 3.480 203 HA ASP 27 HA ASP 27 -17.286 9.045 6.006 204 HB2 ASP 27 1HB ASP 27 -18.378 6.512 4.765 205 HB3 ASP 27 2HB ASP 27 -18.046 6.702 6.483 206 H TYR 28 H TYR 28 -16.308 6.631 3.587 207 HA TYR 28 HA TYR 28 -14.174 5.507 4.964 208 HB2 TYR 28 1HB TYR 28 -14.862 5.799 2.066 209 HB3 TYR 28 2HB TYR 28 -13.306 5.112 2.519 210 HD1 TYR 28 HD1 TYR 28 -16.960 4.712 3.172 211 HD2 TYR 28 HD2 TYR 28 -13.167 2.815 2.864 212 HE1 TYR 28 HE1 TYR 28 -18.046 2.517 3.378 213 HE2 TYR 28 HE2 TYR 28 -14.242 0.621 3.078 214 HH TYR 28 HH TYR 28 -16.160 -0.447 3.651 215 H VAL 29 H VAL 29 -14.316 8.343 2.870 216 HA VAL 29 HA VAL 29 -11.566 8.751 2.536 217 HB VAL 29 HB VAL 29 -13.745 10.824 2.497 218 HG11 VAL 29 1HG1 VAL 29 -12.213 12.002 0.953 219 HG12 VAL 29 2HG1 VAL 29 -10.988 10.777 1.288 220 HG13 VAL 29 3HG1 VAL 29 -11.556 11.833 2.579 221 HG21 VAL 29 1HG2 VAL 29 -14.301 9.016 1.016 222 HG22 VAL 29 2HG2 VAL 29 -12.676 9.031 0.333 223 HG23 VAL 29 3HG2 VAL 29 -13.761 10.396 0.060 224 H GLU 30 H GLU 30 -13.821 9.964 4.997 225 HA GLU 30 HA GLU 30 -12.005 11.617 6.395 226 HB2 GLU 30 1HB GLU 30 -14.130 10.024 7.798 227 HB3 GLU 30 2HB GLU 30 -13.537 11.643 8.141 228 HG2 GLU 30 1HG GLU 30 -14.567 12.443 6.077 229 HG3 GLU 30 2HG GLU 30 -15.236 10.836 5.812 230 H LYS 31 H LYS 31 -12.664 8.181 6.535 231 HA LYS 31 HA LYS 31 -11.206 7.617 8.885 232 HB2 LYS 31 1HB LYS 31 -11.862 5.795 6.566 233 HB3 LYS 31 2HB LYS 31 -11.262 5.276 8.135 234 HG2 LYS 31 1HG LYS 31 -13.278 6.311 9.167 235 HG3 LYS 31 2HG LYS 31 -13.895 6.590 7.537 236 HD2 LYS 31 1HD LYS 31 -13.734 4.156 7.099 237 HD3 LYS 31 2HD LYS 31 -13.231 3.916 8.784 238 HE2 LYS 31 1HE LYS 31 -15.368 4.934 9.523 239 HE3 LYS 31 2HE LYS 31 -15.863 5.066 7.836 240 HZ1 LYS 31 1HZ LYS 31 -15.779 2.675 7.642 241 HZ2 LYS 31 2HZ LYS 31 -16.787 3.110 8.924 242 HZ3 LYS 31 3HZ LYS 31 -15.234 2.526 9.237 243 H PHE 32 H PHE 32 -10.323 7.446 5.456 244 HA PHE 32 HA PHE 32 -7.755 6.406 5.762 245 HB2 PHE 32 1HB PHE 32 -8.680 8.330 3.628 246 HB3 PHE 32 2HB PHE 32 -7.308 7.233 3.525 247 HD1 PHE 32 HD1 PHE 32 -8.588 4.809 4.744 248 HD2 PHE 32 HD2 PHE 32 -9.985 7.568 1.826 249 HE1 PHE 32 HE1 PHE 32 -10.030 3.066 3.793 250 HE2 PHE 32 HE2 PHE 32 -11.435 5.825 0.869 251 HZ PHE 32 HZ PHE 32 -11.456 3.563 1.850 252 H LYS 33 H LYS 33 -8.930 9.691 6.025 253 HA LYS 33 HA LYS 33 -6.421 10.999 6.107 254 HB2 LYS 33 1HB LYS 33 -8.705 12.063 5.751 255 HB3 LYS 33 2HB LYS 33 -8.942 11.903 7.490 256 HG2 LYS 33 1HG LYS 33 -7.062 13.321 7.942 257 HG3 LYS 33 2HG LYS 33 -6.667 13.405 6.220 258 HD2 LYS 33 1HD LYS 33 -7.827 15.428 6.983 259 HD3 LYS 33 2HD LYS 33 -8.774 14.553 5.781 260 HE2 LYS 33 1HE LYS 33 -10.226 15.304 7.551 261 HE3 LYS 33 2HE LYS 33 -10.100 13.548 7.610 262 HZ1 LYS 33 1HZ LYS 33 -8.420 13.827 9.383 263 HZ2 LYS 33 2HZ LYS 33 -9.946 14.415 9.812 264 HZ3 LYS 33 3HZ LYS 33 -8.720 15.492 9.376 265 H LYS 34 H LYS 34 -7.990 8.959 8.333 266 HA LYS 34 HA LYS 34 -6.282 9.945 10.514 267 HB2 LYS 34 1HB LYS 34 -8.977 8.585 10.603 268 HB3 LYS 34 2HB LYS 34 -7.973 8.807 12.032 269 HG2 LYS 34 1HG LYS 34 -8.073 11.221 11.731 270 HG3 LYS 34 2HG LYS 34 -9.037 11.009 10.271 271 HD2 LYS 34 1HD LYS 34 -9.859 10.083 13.018 272 HD3 LYS 34 2HD LYS 34 -10.378 11.596 12.277 273 HE2 LYS 34 1HE LYS 34 -11.410 10.333 10.444 274 HE3 LYS 34 2HE LYS 34 -10.899 8.826 11.202 275 HZ1 LYS 34 1HZ LYS 34 -12.768 10.809 12.385 276 HZ2 LYS 34 2HZ LYS 34 -12.278 9.364 13.113 277 HZ3 LYS 34 3HZ LYS 34 -13.204 9.327 11.700 278 H TRP 35 H TRP 35 -5.668 8.056 8.348 279 HA TRP 35 HA TRP 35 -4.887 5.975 7.884 280 HB2 TRP 35 1HB TRP 35 -3.864 6.386 10.692 281 HB3 TRP 35 2HB TRP 35 -3.323 5.074 9.637 282 HD1 TRP 35 HD1 TRP 35 -3.119 8.871 10.056 283 HE1 TRP 35 HE1 TRP 35 -1.169 9.764 8.635 284 HE3 TRP 35 HE3 TRP 35 -1.908 4.582 7.539 285 HZ2 TRP 35 HZ2 TRP 35 0.632 8.790 6.710 286 HZ3 TRP 35 HZ3 TRP 35 -0.062 4.656 5.919 287 HH2 TRP 35 HH2 TRP 35 1.186 6.708 5.511 288 H GLU 36 H GLU 36 -7.491 5.742 8.400 289 HA GLU 36 HA GLU 36 -7.697 3.261 9.971 290 HB2 GLU 36 1HB GLU 36 -8.965 5.102 10.988 291 HB3 GLU 36 2HB GLU 36 -9.819 5.348 9.475 292 HG2 GLU 36 1HG GLU 36 -11.262 4.153 10.911 293 HG3 GLU 36 2HG GLU 36 -10.693 3.036 9.677 294 H PHE 37 H PHE 37 -7.752 1.635 8.600 295 HA PHE 37 HA PHE 37 -9.141 1.997 6.025 296 HB2 PHE 37 1HB PHE 37 -6.865 0.094 6.644 297 HB3 PHE 37 2HB PHE 37 -7.582 0.379 5.062 298 HD1 PHE 37 HD1 PHE 37 -5.491 1.819 7.719 299 HD2 PHE 37 HD2 PHE 37 -6.971 2.296 3.756 300 HE1 PHE 37 HE1 PHE 37 -3.868 3.629 7.332 301 HE2 PHE 37 HE2 PHE 37 -5.358 4.107 3.370 302 HZ PHE 37 HZ PHE 37 -3.804 4.778 5.154 303 HA PRO 38 HA PRO 38 -11.858 -1.103 8.046 304 HB2 PRO 38 1HB PRO 38 -13.357 -0.430 5.571 305 HB3 PRO 38 2HB PRO 38 -13.925 -0.567 7.246 306 HG2 PRO 38 1HG PRO 38 -13.638 1.826 6.149 307 HG3 PRO 38 2HG PRO 38 -13.128 1.540 7.823 308 HD2 PRO 38 1HD PRO 38 -11.438 1.702 5.344 309 HD3 PRO 38 2HD PRO 38 -11.140 2.395 6.967 310 H GLU 39 H GLU 39 -12.063 -3.208 7.625 311 HA GLU 39 HA GLU 39 -10.565 -4.220 5.364 312 HB2 GLU 39 1HB GLU 39 -10.175 -5.020 7.693 313 HB3 GLU 39 2HB GLU 39 -11.772 -5.749 7.666 314 HG2 GLU 39 1HG GLU 39 -11.115 -7.231 5.892 315 HG3 GLU 39 2HG GLU 39 -9.553 -6.426 5.753 316 H ASP 40 H ASP 40 -12.125 -3.608 3.802 317 HA ASP 40 HA ASP 40 -13.967 -5.744 3.219 318 HB2 ASP 40 1HB ASP 40 -15.983 -4.544 3.168 319 HB3 ASP 40 2HB ASP 40 -15.223 -3.977 4.646 320 H ASP 41 H ASP 41 -14.889 -5.457 0.969 321 HA ASP 41 HA ASP 41 -12.771 -5.239 -0.773 322 HB2 ASP 41 1HB ASP 41 -15.719 -5.065 -1.380 323 HB3 ASP 41 2HB ASP 41 -14.472 -5.171 -2.617 324 H THR 42 H THR 42 -15.041 -2.675 0.105 325 HA THR 42 HA THR 42 -14.544 -0.879 -1.970 326 HB THR 42 HB THR 42 -15.077 -0.168 0.914 327 HG1 THR 42 HG1 THR 42 -16.783 -1.386 0.448 328 HG21 THR 42 1HG2 THR 42 -15.597 1.298 -1.669 329 HG22 THR 42 2HG2 THR 42 -14.449 1.755 -0.409 330 HG23 THR 42 3HG2 THR 42 -16.181 1.809 -0.084 331 H THR 43 H THR 43 -13.068 -0.796 1.282 332 HA THR 43 HA THR 43 -11.103 1.102 0.747 333 HB THR 43 HB THR 43 -10.899 -1.218 2.671 334 HG1 THR 43 HG1 THR 43 -11.838 0.279 4.156 335 HG21 THR 43 1HG2 THR 43 -9.477 0.400 3.960 336 HG22 THR 43 2HG2 THR 43 -9.512 1.462 2.550 337 HG23 THR 43 3HG2 THR 43 -8.770 -0.131 2.433 338 H MET 44 H MET 44 -11.183 -2.340 0.120 339 HA MET 44 HA MET 44 -8.401 -2.717 -0.159 340 HB2 MET 44 1HB MET 44 -10.676 -4.342 -1.280 341 HB3 MET 44 2HB MET 44 -8.999 -4.865 -1.215 342 HG2 MET 44 1HG MET 44 -9.060 -4.736 1.224 343 HG3 MET 44 2HG MET 44 -10.738 -4.210 1.151 344 HE1 MET 44 1HE MET 44 -9.716 -6.687 2.901 345 HE2 MET 44 2HE MET 44 -11.055 -7.797 2.607 346 HE3 MET 44 3HE MET 44 -11.370 -6.074 2.843 347 H CYS 45 H CYS 45 -10.962 -2.246 -2.594 348 HA CYS 45 HA CYS 45 -9.156 -2.256 -4.788 349 HB2 CYS 45 1HB CYS 45 -11.950 -1.113 -4.557 350 HB3 CYS 45 2HB CYS 45 -11.035 -1.184 -6.056 351 H TYR 46 H TYR 46 -10.292 0.199 -2.588 352 HA TYR 46 HA TYR 46 -9.395 2.474 -3.924 353 HB2 TYR 46 1HB TYR 46 -10.768 2.831 -2.060 354 HB3 TYR 46 2HB TYR 46 -9.796 1.783 -1.029 355 HD1 TYR 46 HD1 TYR 46 -8.270 2.728 0.434 356 HD2 TYR 46 HD2 TYR 46 -9.606 5.006 -2.909 357 HE1 TYR 46 HE1 TYR 46 -7.080 4.691 1.304 358 HE2 TYR 46 HE2 TYR 46 -8.416 6.974 -2.043 359 HH TYR 46 HH TYR 46 -6.355 6.779 0.818 360 H ILE 47 H ILE 47 -7.766 0.442 -1.509 361 HA ILE 47 HA ILE 47 -5.293 1.723 -1.528 362 HB ILE 47 HB ILE 47 -6.012 -1.142 -0.954 363 HG12 ILE 47 1HG1 ILE 47 -6.929 0.478 0.618 364 HG13 ILE 47 2HG1 ILE 47 -5.651 -0.447 1.401 365 HG21 ILE 47 1HG2 ILE 47 -3.344 0.216 -0.591 366 HG22 ILE 47 2HG2 ILE 47 -3.703 -1.157 -1.640 367 HG23 ILE 47 3HG2 ILE 47 -3.781 -1.341 0.112 368 HD11 ILE 47 1HD1 ILE 47 -5.377 1.795 2.073 369 HD12 ILE 47 2HD1 ILE 47 -5.558 2.394 0.427 370 HD13 ILE 47 3HD1 ILE 47 -4.111 1.492 0.883 371 H LYS 48 H LYS 48 -6.572 -0.846 -3.582 372 HA LYS 48 HA LYS 48 -4.207 -1.518 -4.907 373 HB2 LYS 48 1HB LYS 48 -6.448 -2.722 -4.983 374 HB3 LYS 48 2HB LYS 48 -6.945 -1.530 -6.175 375 HG2 LYS 48 1HG LYS 48 -4.677 -2.295 -7.320 376 HG3 LYS 48 2HG LYS 48 -5.010 -3.760 -6.398 377 HD2 LYS 48 1HD LYS 48 -5.970 -4.046 -8.556 378 HD3 LYS 48 2HD LYS 48 -7.297 -3.778 -7.425 379 HE2 LYS 48 1HE LYS 48 -7.589 -1.542 -8.159 380 HE3 LYS 48 2HE LYS 48 -6.068 -1.565 -9.051 381 HZ1 LYS 48 1HZ LYS 48 -7.019 -3.214 -10.547 382 HZ2 LYS 48 2HZ LYS 48 -7.938 -1.789 -10.539 383 HZ3 LYS 48 3HZ LYS 48 -8.491 -3.152 -9.704 384 H CYS 49 H CYS 49 -6.803 0.723 -5.845 385 HA CYS 49 HA CYS 49 -5.663 1.688 -8.186 386 HB2 CYS 49 1HB CYS 49 -7.938 2.142 -7.777 387 HB3 CYS 49 2HB CYS 49 -7.602 2.956 -6.251 388 H VAL 50 H VAL 50 -5.397 2.996 -4.871 389 HA VAL 50 HA VAL 50 -3.929 5.275 -5.537 390 HB VAL 50 HB VAL 50 -4.139 3.731 -2.962 391 HG11 VAL 50 1HG1 VAL 50 -3.203 5.717 -1.856 392 HG12 VAL 50 2HG1 VAL 50 -2.855 6.421 -3.436 393 HG13 VAL 50 3HG1 VAL 50 -2.035 4.942 -2.928 394 HG21 VAL 50 1HG2 VAL 50 -5.395 6.276 -3.947 395 HG22 VAL 50 2HG2 VAL 50 -5.557 5.642 -2.310 396 HG23 VAL 50 3HG2 VAL 50 -6.198 4.730 -3.679 397 H PHE 51 H PHE 51 -2.911 2.056 -4.521 398 HA PHE 51 HA PHE 51 -0.156 2.597 -4.405 399 HB2 PHE 51 1HB PHE 51 -1.863 0.163 -4.474 400 HB3 PHE 51 2HB PHE 51 -0.156 -0.041 -4.862 401 HD1 PHE 51 HD1 PHE 51 -1.395 2.481 -2.485 402 HD2 PHE 51 HD2 PHE 51 0.333 -1.384 -2.947 403 HE1 PHE 51 HE1 PHE 51 -0.908 2.413 -0.077 404 HE2 PHE 51 HE2 PHE 51 0.821 -1.454 -0.537 405 HZ PHE 51 HZ PHE 51 0.202 0.446 0.900 406 H ASN 52 H ASN 52 -2.317 1.824 -7.006 407 HA ASN 52 HA ASN 52 -0.233 1.290 -8.921 408 HB2 ASN 52 1HB ASN 52 -2.418 0.274 -9.241 409 HB3 ASN 52 2HB ASN 52 -3.188 1.866 -9.270 410 HD21 ASN 52 1HD2 ASN 52 -0.981 -0.267 -10.971 411 HD22 ASN 52 2HD2 ASN 52 -1.204 0.449 -12.532 412 H LYS 53 H LYS 53 -2.169 3.991 -7.897 413 HA LYS 53 HA LYS 53 -1.578 5.839 -9.914 414 HB2 LYS 53 1HB LYS 53 -2.343 6.086 -7.025 415 HB3 LYS 53 2HB LYS 53 -2.014 7.521 -7.985 416 HG2 LYS 53 1HG LYS 53 -4.083 5.446 -8.697 417 HG3 LYS 53 2HG LYS 53 -4.428 6.894 -7.756 418 HD2 LYS 53 1HD LYS 53 -3.700 8.283 -9.640 419 HD3 LYS 53 2HD LYS 53 -3.357 6.826 -10.578 420 HE2 LYS 53 1HE LYS 53 -5.675 6.195 -10.547 421 HE3 LYS 53 2HE LYS 53 -6.063 7.511 -9.439 422 HZ1 LYS 53 1HZ LYS 53 -5.414 9.088 -11.166 423 HZ2 LYS 53 2HZ LYS 53 -6.681 8.087 -11.681 424 HZ3 LYS 53 3HZ LYS 53 -5.109 7.807 -12.233 425 H MET 54 H MET 54 0.112 4.924 -6.976 426 HA MET 54 HA MET 54 2.098 7.002 -7.279 427 HB2 MET 54 1HB MET 54 1.748 4.764 -5.289 428 HB3 MET 54 2HB MET 54 3.139 5.847 -5.281 429 HG2 MET 54 1HG MET 54 1.713 7.741 -4.898 430 HG3 MET 54 2HG MET 54 0.276 6.734 -5.051 431 HE1 MET 54 1HE MET 54 3.706 6.017 -3.004 432 HE2 MET 54 2HE MET 54 3.212 6.831 -1.519 433 HE3 MET 54 3HE MET 54 3.332 7.739 -3.024 434 H GLN 55 H GLN 55 1.597 4.289 -8.902 435 HA GLN 55 HA GLN 55 2.775 2.800 -10.083 436 HB2 GLN 55 1HB GLN 55 4.825 4.948 -9.698 437 HB3 GLN 55 2HB GLN 55 5.224 3.468 -10.585 438 HG2 GLN 55 1HG GLN 55 3.532 3.925 -12.195 439 HG3 GLN 55 2HG GLN 55 2.911 5.261 -11.236 440 HE21 GLN 55 1HE2 GLN 55 3.159 6.729 -12.891 441 HE22 GLN 55 2HE2 GLN 55 4.707 7.305 -13.405 442 H LEU 56 H LEU 56 2.356 1.816 -7.754 443 HA LEU 56 HA LEU 56 4.924 0.874 -6.733 444 HB2 LEU 56 1HB LEU 56 2.706 2.225 -5.368 445 HB3 LEU 56 2HB LEU 56 3.319 0.806 -4.508 446 HG LEU 56 HG LEU 56 4.949 3.181 -5.413 447 HD11 LEU 56 1HD1 LEU 56 5.044 3.766 -3.045 448 HD12 LEU 56 2HD1 LEU 56 3.971 2.420 -2.666 449 HD13 LEU 56 3HD1 LEU 56 3.382 3.769 -3.633 450 HD21 LEU 56 1HD2 LEU 56 6.313 1.210 -5.327 451 HD22 LEU 56 2HD2 LEU 56 5.638 0.764 -3.762 452 HD23 LEU 56 3HD2 LEU 56 6.659 2.196 -3.907 453 H PHE 57 H PHE 57 1.750 0.124 -7.766 454 HA PHE 57 HA PHE 57 2.247 -2.717 -7.316 455 HB2 PHE 57 1HB PHE 57 0.843 -2.136 -5.421 456 HB3 PHE 57 2HB PHE 57 -0.280 -1.276 -6.463 457 HD1 PHE 57 HD1 PHE 57 -1.963 -2.438 -7.703 458 HD2 PHE 57 HD2 PHE 57 0.922 -4.593 -5.431 459 HE1 PHE 57 HE1 PHE 57 -3.306 -4.483 -7.941 460 HE2 PHE 57 HE2 PHE 57 -0.420 -6.639 -5.667 461 HZ PHE 57 HZ PHE 57 -2.534 -6.585 -6.922 462 H ASP 58 H ASP 58 1.544 -3.976 -8.950 463 HA ASP 58 HA ASP 58 0.044 -2.664 -11.125 464 HB2 ASP 58 1HB ASP 58 2.362 -3.050 -11.802 465 HB3 ASP 58 2HB ASP 58 2.248 -4.736 -11.318 466 H ASP 59 H ASP 59 -1.668 -3.760 -11.969 467 HA ASP 59 HA ASP 59 -2.999 -5.613 -10.330 468 HB2 ASP 59 1HB ASP 59 -3.469 -4.839 -13.206 469 HB3 ASP 59 2HB ASP 59 -4.530 -5.903 -12.313 470 H THR 60 H THR 60 -0.659 -6.091 -12.795 471 HA THR 60 HA THR 60 -1.328 -8.922 -13.038 472 HB THR 60 HB THR 60 0.593 -7.173 -14.562 473 HG1 THR 60 HG1 THR 60 -2.013 -8.091 -14.942 474 HG21 THR 60 1HG2 THR 60 0.969 -9.095 -16.026 475 HG22 THR 60 2HG2 THR 60 -0.024 -10.099 -14.970 476 HG23 THR 60 3HG2 THR 60 1.499 -9.434 -14.379 477 H GLU 61 H GLU 61 1.707 -7.047 -12.677 478 HA GLU 61 HA GLU 61 3.132 -9.359 -11.777 479 HB2 GLU 61 1HB GLU 61 4.143 -6.538 -11.613 480 HB3 GLU 61 2HB GLU 61 5.046 -8.027 -11.847 481 HG2 GLU 61 1HG GLU 61 4.029 -8.289 -14.054 482 HG3 GLU 61 2HG GLU 61 3.183 -6.763 -13.827 483 H GLY 62 H GLY 62 1.159 -7.202 -10.104 484 HA2 GLY 62 1HA GLY 62 0.658 -7.250 -7.833 485 HA3 GLY 62 2HA GLY 62 2.023 -8.347 -7.597 486 HA PRO 63 HA PRO 63 3.246 -4.423 -5.486 487 HB2 PRO 63 1HB PRO 63 4.964 -6.411 -4.099 488 HB3 PRO 63 2HB PRO 63 3.924 -5.151 -3.420 489 HG2 PRO 63 1HG PRO 63 3.242 -7.737 -3.290 490 HG3 PRO 63 2HG PRO 63 2.031 -6.463 -3.528 491 HD2 PRO 63 1HD PRO 63 3.210 -8.362 -5.527 492 HD3 PRO 63 2HD PRO 63 1.538 -7.752 -5.391 493 H LEU 64 H LEU 64 4.697 -3.240 -6.542 494 HA LEU 64 HA LEU 64 6.841 -4.501 -8.031 495 HB2 LEU 64 1HB LEU 64 6.284 -1.547 -7.722 496 HB3 LEU 64 2HB LEU 64 7.275 -2.320 -8.943 497 HG LEU 64 HG LEU 64 4.292 -2.683 -8.697 498 HD11 LEU 64 1HD1 LEU 64 4.163 -1.321 -10.726 499 HD12 LEU 64 2HD1 LEU 64 5.900 -1.034 -10.641 500 HD13 LEU 64 3HD1 LEU 64 4.840 -0.411 -9.377 501 HD21 LEU 64 1HD2 LEU 64 4.456 -3.799 -10.830 502 HD22 LEU 64 2HD2 LEU 64 5.496 -4.601 -9.648 503 HD23 LEU 64 3HD2 LEU 64 6.202 -3.534 -10.862 504 H VAL 65 H VAL 65 8.216 -5.308 -6.565 505 HA VAL 65 HA VAL 65 9.005 -4.365 -4.133 506 HB VAL 65 HB VAL 65 10.617 -5.953 -6.114 507 HG11 VAL 65 1HG1 VAL 65 11.106 -5.545 -3.164 508 HG12 VAL 65 2HG1 VAL 65 12.116 -4.946 -4.483 509 HG13 VAL 65 3HG1 VAL 65 11.969 -6.681 -4.203 510 HG21 VAL 65 1HG2 VAL 65 9.909 -7.849 -4.676 511 HG22 VAL 65 2HG2 VAL 65 8.578 -7.050 -5.511 512 HG23 VAL 65 3HG2 VAL 65 8.862 -6.732 -3.800 513 H ASP 66 H ASP 66 10.511 -3.613 -7.265 514 HA ASP 66 HA ASP 66 12.765 -2.279 -6.294 515 HB2 ASP 66 1HB ASP 66 12.571 -2.952 -8.611 516 HB3 ASP 66 2HB ASP 66 11.243 -1.827 -8.864 517 H ASN 67 H ASN 67 9.691 -0.857 -7.417 518 HA ASN 67 HA ASN 67 10.359 1.776 -6.652 519 HB2 ASN 67 1HB ASN 67 7.683 0.491 -7.183 520 HB3 ASN 67 2HB ASN 67 7.896 2.207 -6.874 521 HD21 ASN 67 1HD2 ASN 67 7.235 2.930 -8.808 522 HD22 ASN 67 2HD2 ASN 67 8.053 2.622 -10.303 523 H LEU 68 H LEU 68 8.837 -0.900 -5.033 524 HA LEU 68 HA LEU 68 7.727 0.421 -2.846 525 HB2 LEU 68 1HB LEU 68 8.648 -2.368 -3.350 526 HB3 LEU 68 2HB LEU 68 8.214 -1.891 -1.718 527 HG LEU 68 HG LEU 68 6.353 -1.485 -4.043 528 HD11 LEU 68 1HD1 LEU 68 6.949 -3.874 -3.844 529 HD12 LEU 68 2HD1 LEU 68 5.261 -3.549 -3.456 530 HD13 LEU 68 3HD1 LEU 68 6.425 -3.839 -2.161 531 HD21 LEU 68 1HD2 LEU 68 4.666 -1.391 -2.301 532 HD22 LEU 68 2HD2 LEU 68 5.923 -0.190 -2.011 533 HD23 LEU 68 3HD2 LEU 68 5.898 -1.682 -1.072 534 H VAL 69 H VAL 69 10.909 -1.138 -3.133 535 HA VAL 69 HA VAL 69 11.832 -0.291 -0.587 536 HB VAL 69 HB VAL 69 13.412 -1.083 -3.024 537 HG11 VAL 69 1HG1 VAL 69 14.835 0.081 -1.492 538 HG12 VAL 69 2HG1 VAL 69 15.165 -1.644 -1.335 539 HG13 VAL 69 3HG1 VAL 69 14.180 -0.819 -0.126 540 HG21 VAL 69 1HG2 VAL 69 12.564 -2.741 -0.659 541 HG22 VAL 69 2HG2 VAL 69 13.483 -3.293 -2.062 542 HG23 VAL 69 3HG2 VAL 69 11.805 -2.788 -2.250 543 H HIS 70 H HIS 70 12.035 1.045 -3.835 544 HA HIS 70 HA HIS 70 13.893 3.073 -3.327 545 HB2 HIS 70 1HB HIS 70 13.140 2.302 -5.577 546 HB3 HIS 70 2HB HIS 70 11.611 3.128 -5.307 547 HD1 HIS 70 HD1 HIS 70 11.542 5.292 -6.480 548 HD2 HIS 70 HD2 HIS 70 15.380 4.363 -5.178 549 HE1 HIS 70 HE1 HIS 70 13.000 7.194 -7.248 550 HE2 HIS 70 HE2 HIS 70 15.318 6.614 -6.447 551 H GLN 71 H GLN 71 10.437 2.914 -2.753 552 HA GLN 71 HA GLN 71 10.320 5.735 -2.029 553 HB2 GLN 71 1HB GLN 71 8.466 4.435 -3.272 554 HB3 GLN 71 2HB GLN 71 8.084 3.758 -1.689 555 HG2 GLN 71 1HG GLN 71 6.652 5.641 -2.124 556 HG3 GLN 71 2HG GLN 71 7.756 6.012 -0.802 557 HE21 GLN 71 1HE2 GLN 71 7.678 8.218 -1.039 558 HE22 GLN 71 2HE2 GLN 71 8.345 9.038 -2.404 559 H LEU 72 H LEU 72 9.562 2.633 -0.464 560 HA LEU 72 HA LEU 72 8.997 3.693 2.043 561 HB2 LEU 72 1HB LEU 72 9.877 0.932 1.244 562 HB3 LEU 72 2HB LEU 72 9.417 1.347 2.881 563 HG LEU 72 HG LEU 72 7.607 1.624 0.482 564 HD11 LEU 72 1HD1 LEU 72 8.140 -0.723 0.925 565 HD12 LEU 72 2HD1 LEU 72 6.467 -0.361 1.357 566 HD13 LEU 72 3HD1 LEU 72 7.693 -0.509 2.617 567 HD21 LEU 72 1HD2 LEU 72 7.151 1.926 3.443 568 HD22 LEU 72 2HD2 LEU 72 5.850 1.748 2.266 569 HD23 LEU 72 3HD2 LEU 72 6.925 3.144 2.185 570 H ALA 73 H ALA 73 12.064 2.409 0.793 571 HA ALA 73 HA ALA 73 13.449 2.704 3.277 572 HB1 ALA 73 1HB ALA 73 14.604 2.402 0.521 573 HB2 ALA 73 2HB ALA 73 14.061 1.067 1.537 574 HB3 ALA 73 3HB ALA 73 15.413 2.081 2.055 575 H HIS 74 H HIS 74 12.117 5.068 2.484 576 HA HIS 74 HA HIS 74 13.857 7.023 1.408 577 HB2 HIS 74 1HB HIS 74 11.369 7.208 1.510 578 HB3 HIS 74 2HB HIS 74 11.492 7.404 3.253 579 HD1 HIS 74 HD1 HIS 74 12.390 9.173 0.038 580 HD2 HIS 74 HD2 HIS 74 11.957 9.984 4.096 581 HE1 HIS 74 HE1 HIS 74 12.455 11.676 0.240 582 HE2 HIS 74 HE2 HIS 74 11.955 12.132 2.664 583 H GLY 75 H GLY 75 15.837 6.712 2.517 584 HA2 GLY 75 1HA GLY 75 17.348 7.680 4.006 585 HA3 GLY 75 2HA GLY 75 16.001 8.228 4.990 586 H ARG 76 H ARG 76 16.323 4.899 3.939 587 HA ARG 76 HA ARG 76 17.447 4.087 6.484 588 HB2 ARG 76 1HB ARG 76 14.595 3.755 5.803 589 HB3 ARG 76 2HB ARG 76 15.384 2.335 6.487 590 HG2 ARG 76 1HG ARG 76 16.147 3.761 8.379 591 HG3 ARG 76 2HG ARG 76 15.178 5.079 7.723 592 HD2 ARG 76 1HD ARG 76 13.978 3.935 9.491 593 HD3 ARG 76 2HD ARG 76 13.170 3.704 7.946 594 HE ARG 76 HE ARG 76 14.916 1.548 8.412 595 HH11 ARG 76 1HH1 ARG 76 11.905 2.887 9.598 596 HH12 ARG 76 2HH1 ARG 76 11.285 1.355 10.126 597 HH21 ARG 76 1HH2 ARG 76 14.100 -0.485 9.115 598 HH22 ARG 76 2HH2 ARG 76 12.528 -0.550 9.861 599 H ASP 77 H ASP 77 17.716 1.679 6.590 600 HA ASP 77 HA ASP 77 19.273 0.775 4.478 601 HB2 ASP 77 1HB ASP 77 17.878 -0.849 6.609 602 HB3 ASP 77 2HB ASP 77 19.165 -1.442 5.570 603 H ALA 78 H ALA 78 18.644 0.376 2.507 604 HA ALA 78 HA ALA 78 15.998 -0.151 1.713 605 HB1 ALA 78 1HB ALA 78 16.922 -0.486 -0.495 606 HB2 ALA 78 2HB ALA 78 18.544 -0.633 0.184 607 HB3 ALA 78 3HB ALA 78 17.682 0.902 0.282 608 H GLU 79 H GLU 79 18.728 -2.285 2.363 609 HA GLU 79 HA GLU 79 17.640 -4.617 1.223 610 HB2 GLU 79 1HB GLU 79 19.673 -4.232 3.410 611 HB3 GLU 79 2HB GLU 79 19.213 -5.819 2.810 612 HG2 GLU 79 1HG GLU 79 19.875 -5.054 0.527 613 HG3 GLU 79 2HG GLU 79 20.523 -3.595 1.272 614 H GLU 80 H GLU 80 17.542 -3.405 4.564 615 HA GLU 80 HA GLU 80 15.968 -5.434 5.671 616 HB2 GLU 80 1HB GLU 80 17.034 -3.835 7.101 617 HB3 GLU 80 2HB GLU 80 16.188 -2.502 6.331 618 HG2 GLU 80 1HG GLU 80 14.098 -3.238 7.250 619 HG3 GLU 80 2HG GLU 80 14.856 -4.674 7.916 620 H VAL 81 H VAL 81 15.060 -2.401 4.110 621 HA VAL 81 HA VAL 81 12.299 -2.576 4.400 622 HB VAL 81 HB VAL 81 13.938 -1.256 2.247 623 HG11 VAL 81 1HG1 VAL 81 11.666 -1.576 1.438 624 HG12 VAL 81 2HG1 VAL 81 11.947 0.122 1.829 625 HG13 VAL 81 3HG1 VAL 81 11.024 -0.899 2.934 626 HG21 VAL 81 1HG2 VAL 81 13.403 0.760 3.599 627 HG22 VAL 81 2HG2 VAL 81 14.454 -0.405 4.392 628 HG23 VAL 81 3HG2 VAL 81 12.747 -0.312 4.835 629 H ARG 82 H ARG 82 14.342 -3.630 1.664 630 HA ARG 82 HA ARG 82 12.379 -4.718 0.030 631 HB2 ARG 82 1HB ARG 82 14.776 -4.394 -0.552 632 HB3 ARG 82 2HB ARG 82 15.167 -5.788 0.446 633 HG2 ARG 82 1HG ARG 82 13.821 -7.210 -0.979 634 HG3 ARG 82 2HG ARG 82 13.381 -5.819 -1.968 635 HD2 ARG 82 1HD ARG 82 15.673 -5.507 -2.628 636 HD3 ARG 82 2HD ARG 82 16.198 -6.783 -1.533 637 HE ARG 82 HE ARG 82 14.353 -7.912 -3.278 638 HH11 ARG 82 1HH1 ARG 82 17.509 -6.403 -3.456 639 HH12 ARG 82 2HH1 ARG 82 18.032 -7.367 -4.801 640 HH21 ARG 82 1HH2 ARG 82 15.038 -9.170 -5.055 641 HH22 ARG 82 2HH2 ARG 82 16.620 -8.920 -5.727 642 H THR 83 H THR 83 14.185 -6.195 2.683 643 HA THR 83 HA THR 83 13.194 -8.801 2.434 644 HB THR 83 HB THR 83 14.327 -7.229 4.736 645 HG1 THR 83 HG1 THR 83 15.965 -8.980 4.368 646 HG21 THR 83 1HG2 THR 83 13.518 -10.139 4.794 647 HG22 THR 83 2HG2 THR 83 12.784 -8.837 5.734 648 HG23 THR 83 3HG2 THR 83 14.457 -9.308 6.034 649 H GLU 84 H GLU 84 12.144 -6.182 4.624 650 HA GLU 84 HA GLU 84 9.968 -7.443 5.777 651 HB2 GLU 84 1HB GLU 84 10.386 -4.527 5.171 652 HB3 GLU 84 2HB GLU 84 9.075 -5.142 6.166 653 HG2 GLU 84 1HG GLU 84 11.990 -5.563 6.725 654 HG3 GLU 84 2HG GLU 84 11.004 -4.302 7.459 655 H VAL 85 H VAL 85 10.067 -5.515 2.786 656 HA VAL 85 HA VAL 85 7.364 -5.611 2.128 657 HB VAL 85 HB VAL 85 9.832 -5.514 0.398 658 HG11 VAL 85 1HG1 VAL 85 6.957 -5.332 -0.494 659 HG12 VAL 85 2HG1 VAL 85 8.105 -6.605 -0.913 660 HG13 VAL 85 3HG1 VAL 85 8.360 -4.959 -1.498 661 HG21 VAL 85 1HG2 VAL 85 9.084 -3.199 0.022 662 HG22 VAL 85 2HG2 VAL 85 9.402 -3.544 1.722 663 HG23 VAL 85 3HG2 VAL 85 7.739 -3.473 1.130 664 H LEU 86 H LEU 86 9.966 -7.862 1.219 665 HA LEU 86 HA LEU 86 8.408 -9.572 -0.351 666 HB2 LEU 86 1HB LEU 86 10.956 -10.067 1.188 667 HB3 LEU 86 2HB LEU 86 10.251 -11.216 0.053 668 HG LEU 86 HG LEU 86 11.050 -8.422 -0.718 669 HD11 LEU 86 1HD1 LEU 86 13.073 -9.407 -1.648 670 HD12 LEU 86 2HD1 LEU 86 12.613 -10.983 -1.005 671 HD13 LEU 86 3HD1 LEU 86 12.996 -9.659 0.097 672 HD21 LEU 86 1HD2 LEU 86 10.972 -9.366 -2.979 673 HD22 LEU 86 2HD2 LEU 86 9.413 -9.464 -2.166 674 HD23 LEU 86 3HD2 LEU 86 10.424 -10.901 -2.306 675 H LYS 87 H LYS 87 8.933 -9.410 3.087 676 HA LYS 87 HA LYS 87 7.844 -11.990 3.701 677 HB2 LYS 87 1HB LYS 87 8.430 -9.545 5.369 678 HB3 LYS 87 2HB LYS 87 7.731 -11.005 6.048 679 HG2 LYS 87 1HG LYS 87 9.658 -12.272 5.607 680 HG3 LYS 87 2HG LYS 87 10.313 -11.039 4.514 681 HD2 LYS 87 1HD LYS 87 11.434 -11.112 6.732 682 HD3 LYS 87 2HD LYS 87 10.714 -9.549 6.358 683 HE2 LYS 87 1HE LYS 87 8.750 -10.180 7.733 684 HE3 LYS 87 2HE LYS 87 9.578 -11.675 8.168 685 HZ1 LYS 87 1HZ LYS 87 11.298 -10.425 9.237 686 HZ2 LYS 87 2HZ LYS 87 9.810 -9.888 9.838 687 HZ3 LYS 87 3HZ LYS 87 10.649 -8.955 8.700 688 H CYS 88 H CYS 88 6.459 -9.233 2.546 689 HA CYS 88 HA CYS 88 3.854 -9.929 3.712 690 HB2 CYS 88 1HB CYS 88 5.058 -7.286 2.999 691 HB3 CYS 88 2HB CYS 88 3.303 -7.475 3.010 692 H VAL 89 H VAL 89 5.706 -9.916 0.907 693 HA VAL 89 HA VAL 89 3.650 -9.421 -1.018 694 HB VAL 89 HB VAL 89 6.356 -10.733 -1.292 695 HG11 VAL 89 1HG1 VAL 89 6.050 -10.450 -3.717 696 HG12 VAL 89 2HG1 VAL 89 4.395 -9.910 -3.429 697 HG13 VAL 89 3HG1 VAL 89 4.868 -11.561 -3.026 698 HG21 VAL 89 1HG2 VAL 89 6.494 -8.387 -0.734 699 HG22 VAL 89 2HG2 VAL 89 5.359 -7.983 -2.024 700 HG23 VAL 89 3HG2 VAL 89 6.954 -8.626 -2.419 701 H ASP 90 H ASP 90 2.076 -10.738 -1.558 702 HA ASP 90 HA ASP 90 2.413 -13.634 -1.162 703 HB2 ASP 90 1HB ASP 90 -0.086 -11.945 -1.113 704 HB3 ASP 90 2HB ASP 90 -0.125 -13.706 -1.214 705 H LYS 91 H LYS 91 0.787 -14.848 -2.631 706 HA LYS 91 HA LYS 91 1.106 -13.907 -5.401 707 HB2 LYS 91 1HB LYS 91 0.173 -16.627 -4.474 708 HB3 LYS 91 2HB LYS 91 0.724 -16.157 -6.077 709 HG2 LYS 91 1HG LYS 91 2.964 -15.924 -5.324 710 HG3 LYS 91 2HG LYS 91 2.475 -16.175 -3.649 711 HD2 LYS 91 1HD LYS 91 3.491 -18.188 -4.662 712 HD3 LYS 91 2HD LYS 91 1.830 -18.451 -4.133 713 HE2 LYS 91 1HE LYS 91 2.211 -19.476 -6.303 714 HE3 LYS 91 2HE LYS 91 1.054 -18.157 -6.438 715 HZ1 LYS 91 1HZ LYS 91 2.849 -16.740 -7.255 716 HZ2 LYS 91 2HZ LYS 91 2.634 -18.094 -8.241 717 HZ3 LYS 91 3HZ LYS 91 3.930 -18.035 -7.159 718 H ASN 92 H ASN 92 -0.713 -14.035 -6.832 719 HA ASN 92 HA ASN 92 -3.134 -13.123 -5.560 720 HB2 ASN 92 1HB ASN 92 -2.281 -12.156 -7.702 721 HB3 ASN 92 2HB ASN 92 -2.657 -13.685 -8.485 722 HD21 ASN 92 1HD2 ASN 92 -4.078 -12.581 -9.875 723 HD22 ASN 92 2HD2 ASN 92 -5.653 -12.088 -9.354 724 H THR 93 H THR 93 -3.275 -15.252 -4.408 725 HA THR 93 HA THR 93 -4.582 -17.341 -5.962 726 HB THR 93 HB THR 93 -4.743 -18.513 -3.770 727 HG1 THR 93 HG1 THR 93 -4.807 -16.712 -2.367 728 HG21 THR 93 1HG2 THR 93 -2.808 -18.863 -5.189 729 HG22 THR 93 2HG2 THR 93 -2.333 -18.879 -3.493 730 HG23 THR 93 3HG2 THR 93 -2.014 -17.456 -4.486 731 H ASP 94 H ASP 94 -5.391 -14.478 -4.506 732 HA ASP 94 HA ASP 94 -7.985 -15.192 -3.476 733 HB2 ASP 94 1HB ASP 94 -6.819 -12.453 -4.043 734 HB3 ASP 94 2HB ASP 94 -8.265 -12.792 -3.083 735 H ASN 95 H ASN 95 -6.665 -14.374 -6.481 736 HA ASN 95 HA ASN 95 -7.481 -13.971 -8.545 737 HB2 ASN 95 1HB ASN 95 -10.069 -15.015 -7.383 738 HB3 ASN 95 2HB ASN 95 -9.725 -14.809 -9.092 739 HD21 ASN 95 1HD2 ASN 95 -10.423 -17.184 -7.568 740 HD22 ASN 95 2HD2 ASN 95 -9.139 -18.322 -7.852 741 H ASN 96 H ASN 96 -7.627 -11.968 -6.398 742 HA ASN 96 HA ASN 96 -9.401 -10.074 -7.705 743 HB2 ASN 96 1HB ASN 96 -10.893 -10.901 -6.045 744 HB3 ASN 96 2HB ASN 96 -9.636 -10.922 -4.813 745 HD21 ASN 96 1HD2 ASN 96 -10.940 -9.719 -3.428 746 HD22 ASN 96 2HD2 ASN 96 -11.222 -8.028 -3.664 747 H ALA 97 H ALA 97 -8.020 -8.538 -8.219 748 HA ALA 97 HA ALA 97 -5.464 -8.230 -7.131 749 HB1 ALA 97 1HB ALA 97 -6.106 -7.515 -9.394 750 HB2 ALA 97 2HB ALA 97 -5.297 -6.234 -8.491 751 HB3 ALA 97 3HB ALA 97 -7.047 -6.199 -8.695 752 H CYS 98 H CYS 98 -8.508 -6.714 -6.284 753 HA CYS 98 HA CYS 98 -7.464 -4.560 -4.781 754 HB2 CYS 98 1HB CYS 98 -10.084 -6.011 -4.362 755 HB3 CYS 98 2HB CYS 98 -9.671 -4.412 -3.754 756 H HIS 99 H HIS 99 -8.253 -7.903 -3.906 757 HA HIS 99 HA HIS 99 -7.755 -7.451 -1.101 758 HB2 HIS 99 1HB HIS 99 -9.311 -9.229 -2.155 759 HB3 HIS 99 2HB HIS 99 -7.844 -10.152 -2.441 760 HD1 HIS 99 HD1 HIS 99 -10.471 -9.935 -0.118 761 HD2 HIS 99 HD2 HIS 99 -6.353 -10.391 0.244 762 HE1 HIS 99 HE1 HIS 99 -10.093 -10.885 2.181 763 HE2 HIS 99 HE2 HIS 99 -7.590 -11.074 2.412 764 H TRP 100 H TRP 100 -6.009 -8.527 -3.887 765 HA TRP 100 HA TRP 100 -3.819 -9.776 -2.653 766 HB2 TRP 100 1HB TRP 100 -4.418 -9.922 -5.079 767 HB3 TRP 100 2HB TRP 100 -3.846 -8.268 -5.287 768 HD1 TRP 100 HD1 TRP 100 -1.571 -10.073 -2.993 769 HE1 TRP 100 HE1 TRP 100 0.527 -10.862 -4.250 770 HE3 TRP 100 HE3 TRP 100 -3.155 -9.315 -7.792 771 HZ2 TRP 100 HZ2 TRP 100 1.401 -11.133 -6.916 772 HZ3 TRP 100 HZ3 TRP 100 -1.631 -9.864 -9.636 773 HH2 TRP 100 HH2 TRP 100 0.598 -10.758 -9.216 774 H ALA 101 H ALA 101 -4.162 -6.461 -3.910 775 HA ALA 101 HA ALA 101 -1.664 -5.536 -2.968 776 HB1 ALA 101 1HB ALA 101 -2.855 -4.421 -4.764 777 HB2 ALA 101 2HB ALA 101 -2.557 -3.295 -3.437 778 HB3 ALA 101 3HB ALA 101 -4.161 -3.995 -3.659 779 H PHE 102 H PHE 102 -4.881 -5.601 -1.579 780 HA PHE 102 HA PHE 102 -4.393 -3.775 0.496 781 HB2 PHE 102 1HB PHE 102 -6.639 -4.322 -0.252 782 HB3 PHE 102 2HB PHE 102 -6.465 -5.964 0.358 783 HD1 PHE 102 HD1 PHE 102 -7.079 -6.455 2.567 784 HD2 PHE 102 HD2 PHE 102 -6.424 -2.405 1.422 785 HE1 PHE 102 HE1 PHE 102 -7.914 -5.706 4.752 786 HE2 PHE 102 HE2 PHE 102 -7.261 -1.651 3.609 787 HZ PHE 102 HZ PHE 102 -8.008 -3.300 5.278 788 H ARG 103 H ARG 103 -3.951 -7.269 0.263 789 HA ARG 103 HA ARG 103 -3.568 -7.636 3.075 790 HB2 ARG 103 1HB ARG 103 -4.276 -9.455 1.495 791 HB3 ARG 103 2HB ARG 103 -2.632 -9.455 0.870 792 HG2 ARG 103 1HG ARG 103 -1.738 -10.113 2.975 793 HG3 ARG 103 2HG ARG 103 -3.296 -9.913 3.759 794 HD2 ARG 103 1HD ARG 103 -2.648 -12.280 3.278 795 HD3 ARG 103 2HD ARG 103 -4.198 -11.791 2.606 796 HE ARG 103 HE ARG 103 -1.707 -11.970 1.027 797 HH11 ARG 103 1HH1 ARG 103 -5.159 -12.441 1.408 798 HH12 ARG 103 2HH1 ARG 103 -5.404 -12.987 -0.227 799 HH21 ARG 103 1HH2 ARG 103 -2.035 -12.698 -1.140 800 HH22 ARG 103 2HH2 ARG 103 -3.639 -13.128 -1.668 801 H GLY 104 H GLY 104 -1.509 -6.984 0.318 802 HA2 GLY 104 1HA GLY 104 0.995 -7.342 1.596 803 HA3 GLY 104 2HA GLY 104 0.688 -6.316 0.189 804 H PHE 105 H PHE 105 -1.071 -4.494 1.187 805 HA PHE 105 HA PHE 105 0.617 -2.669 2.496 806 HB2 PHE 105 1HB PHE 105 -1.040 -1.788 1.063 807 HB3 PHE 105 2HB PHE 105 -2.321 -2.674 1.875 808 HD1 PHE 105 HD1 PHE 105 -3.799 -1.167 2.829 809 HD2 PHE 105 HD2 PHE 105 0.388 -0.424 3.096 810 HE1 PHE 105 HE1 PHE 105 -4.242 0.816 4.206 811 HE2 PHE 105 HE2 PHE 105 -0.059 1.566 4.473 812 HZ PHE 105 HZ PHE 105 -2.372 2.186 5.032 813 H LYS 106 H LYS 106 -2.137 -4.569 3.619 814 HA LYS 106 HA LYS 106 -2.261 -3.486 6.202 815 HB2 LYS 106 1HB LYS 106 -4.206 -4.551 5.644 816 HB3 LYS 106 2HB LYS 106 -3.391 -5.906 4.869 817 HG2 LYS 106 1HG LYS 106 -2.761 -6.722 7.125 818 HG3 LYS 106 2HG LYS 106 -3.711 -5.402 7.818 819 HD2 LYS 106 1HD LYS 106 -5.718 -6.265 6.712 820 HD3 LYS 106 2HD LYS 106 -4.769 -7.576 6.010 821 HE2 LYS 106 1HE LYS 106 -4.241 -8.379 8.276 822 HE3 LYS 106 2HE LYS 106 -5.238 -7.093 8.953 823 HZ1 LYS 106 1HZ LYS 106 -7.168 -8.036 7.890 824 HZ2 LYS 106 2HZ LYS 106 -6.402 -9.226 8.823 825 HZ3 LYS 106 3HZ LYS 106 -6.221 -9.229 7.144 826 H CYS 107 H CYS 107 -0.609 -6.349 4.930 827 HA CYS 107 HA CYS 107 0.353 -7.366 7.343 828 HB2 CYS 107 1HB CYS 107 0.465 -8.763 5.443 829 HB3 CYS 107 2HB CYS 107 1.336 -7.566 4.495 830 H PHE 108 H PHE 108 1.733 -5.013 5.097 831 HA PHE 108 HA PHE 108 4.264 -4.901 6.374 832 HB2 PHE 108 1HB PHE 108 3.716 -4.336 3.962 833 HB3 PHE 108 2HB PHE 108 3.092 -2.800 4.564 834 HD1 PHE 108 HD1 PHE 108 6.049 -4.801 3.881 835 HD2 PHE 108 HD2 PHE 108 4.625 -1.135 5.507 836 HE1 PHE 108 HE1 PHE 108 8.321 -3.880 3.792 837 HE2 PHE 108 HE2 PHE 108 6.901 -0.208 5.415 838 HZ PHE 108 HZ PHE 108 8.752 -1.583 4.553 839 H GLN 109 H GLN 109 1.471 -2.675 6.347 840 HA GLN 109 HA GLN 109 2.615 -0.755 8.048 841 HB2 GLN 109 1HB GLN 109 0.386 0.145 8.297 842 HB3 GLN 109 2HB GLN 109 0.667 -0.302 6.624 843 HG2 GLN 109 1HG GLN 109 -1.338 -1.259 6.755 844 HG3 GLN 109 2HG GLN 109 -0.508 -2.556 7.621 845 HE21 GLN 109 1HE2 GLN 109 -3.272 -1.625 7.807 846 HE22 GLN 109 2HE2 GLN 109 -3.523 -1.207 9.464 847 H LYS 110 H LYS 110 1.123 -3.799 8.718 848 HA LYS 110 HA LYS 110 0.324 -3.314 11.384 849 HB2 LYS 110 1HB LYS 110 -0.464 -5.184 9.923 850 HB3 LYS 110 2HB LYS 110 1.114 -5.928 10.104 851 HG2 LYS 110 1HG LYS 110 0.783 -6.207 12.452 852 HG3 LYS 110 2HG LYS 110 -0.751 -5.342 12.384 853 HD2 LYS 110 1HD LYS 110 -1.312 -7.635 12.425 854 HD3 LYS 110 2HD LYS 110 -1.504 -7.136 10.745 855 HE2 LYS 110 1HE LYS 110 -0.374 -9.248 10.784 856 HE3 LYS 110 2HE LYS 110 0.772 -8.006 10.286 857 HZ1 LYS 110 1HZ LYS 110 1.645 -7.962 12.542 858 HZ2 LYS 110 2HZ LYS 110 1.760 -9.514 11.886 859 HZ3 LYS 110 3HZ LYS 110 0.550 -9.159 13.012 860 H ASN 111 H ASN 111 3.369 -3.952 9.910 861 HA ASN 111 HA ASN 111 4.587 -4.384 12.560 862 HB2 ASN 111 1HB ASN 111 5.698 -5.126 9.845 863 HB3 ASN 111 2HB ASN 111 6.485 -5.393 11.395 864 HD21 ASN 111 1HD2 ASN 111 3.975 -6.451 9.237 865 HD22 ASN 111 2HD2 ASN 111 3.626 -7.925 10.067 866 H ASN 112 H ASN 112 4.663 -2.481 9.614 867 HA ASN 112 HA ASN 112 6.707 -0.729 10.802 868 HB2 ASN 112 1HB ASN 112 6.767 -1.843 7.985 869 HB3 ASN 112 2HB ASN 112 7.852 -0.602 8.617 870 HD21 ASN 112 1HD2 ASN 112 8.038 -3.520 7.648 871 HD22 ASN 112 2HD2 ASN 112 9.075 -4.261 8.822 872 H LEU 113 H LEU 113 4.638 0.516 11.138 873 HA LEU 113 HA LEU 113 3.459 1.618 8.729 874 HB2 LEU 113 1HB LEU 113 1.943 1.084 10.493 875 HB3 LEU 113 2HB LEU 113 2.847 2.044 11.646 876 HG LEU 113 HG LEU 113 2.220 4.078 10.340 877 HD11 LEU 113 1HD1 LEU 113 1.858 2.971 8.192 878 HD12 LEU 113 2HD1 LEU 113 0.449 3.911 8.691 879 HD13 LEU 113 3HD1 LEU 113 0.442 2.155 8.856 880 HD21 LEU 113 1HD2 LEU 113 -0.062 2.376 11.335 881 HD22 LEU 113 2HD2 LEU 113 -0.105 4.126 11.112 882 HD23 LEU 113 3HD2 LEU 113 0.965 3.415 12.323 883 H SER 114 H SER 114 5.667 2.589 11.259 884 HA SER 114 HA SER 114 5.578 5.379 10.810 885 HB2 SER 114 1HB SER 114 6.572 4.277 12.829 886 HB3 SER 114 2HB SER 114 7.932 3.769 11.829 887 HG SER 114 HG SER 114 8.305 5.740 12.993 888 H LEU 115 H LEU 115 7.424 2.777 9.318 889 HA LEU 115 HA LEU 115 9.179 4.373 7.803 890 HB2 LEU 115 1HB LEU 115 9.439 1.944 8.172 891 HB3 LEU 115 2HB LEU 115 8.053 1.656 7.140 892 HG LEU 115 HG LEU 115 9.327 2.728 5.262 893 HD11 LEU 115 1HD1 LEU 115 11.750 2.922 5.522 894 HD12 LEU 115 2HD1 LEU 115 11.589 2.531 7.235 895 HD13 LEU 115 3HD1 LEU 115 10.887 4.019 6.599 896 HD21 LEU 115 1HD2 LEU 115 9.165 0.298 5.507 897 HD22 LEU 115 2HD2 LEU 115 10.600 0.306 6.532 898 HD23 LEU 115 3HD2 LEU 115 10.723 0.780 4.839 899 H ILE 116 H ILE 116 5.915 3.203 7.251 900 HA ILE 116 HA ILE 116 5.680 3.918 4.541 901 HB ILE 116 HB ILE 116 3.531 3.665 6.662 902 HG12 ILE 116 1HG1 ILE 116 4.548 1.714 4.580 903 HG13 ILE 116 2HG1 ILE 116 4.791 1.600 6.331 904 HG21 ILE 116 1HG2 ILE 116 1.982 3.369 4.760 905 HG22 ILE 116 2HG2 ILE 116 3.293 3.793 3.658 906 HG23 ILE 116 3HG2 ILE 116 2.694 4.983 4.814 907 HD11 ILE 116 1HD1 ILE 116 2.321 1.433 6.577 908 HD12 ILE 116 2HD1 ILE 116 3.060 0.093 5.701 909 HD13 ILE 116 3HD1 ILE 116 2.208 1.355 4.818 910 H LYS 117 H LYS 117 4.945 5.624 7.537 911 HA LYS 117 HA LYS 117 3.875 7.954 6.377 912 HB2 LYS 117 1HB LYS 117 5.188 7.440 9.037 913 HB3 LYS 117 2HB LYS 117 4.505 9.002 8.601 914 HG2 LYS 117 1HG LYS 117 2.314 7.971 8.306 915 HG3 LYS 117 2HG LYS 117 2.984 6.393 8.713 916 HD2 LYS 117 1HD LYS 117 3.514 7.159 10.950 917 HD3 LYS 117 2HD LYS 117 2.975 8.790 10.554 918 HE2 LYS 117 1HE LYS 117 0.702 7.953 10.199 919 HE3 LYS 117 2HE LYS 117 1.243 6.318 10.579 920 HZ1 LYS 117 1HZ LYS 117 1.308 8.634 12.436 921 HZ2 LYS 117 2HZ LYS 117 1.809 7.062 12.803 922 HZ3 LYS 117 3HZ LYS 117 0.182 7.374 12.472 923 H ALA 118 H ALA 118 7.146 6.984 7.235 924 HA ALA 118 HA ALA 118 8.428 9.446 6.690 925 HB1 ALA 118 1HB ALA 118 10.470 8.170 6.718 926 HB2 ALA 118 2HB ALA 118 9.562 6.668 6.538 927 HB3 ALA 118 3HB ALA 118 9.406 7.621 8.011 928 H SER 119 H SER 119 7.531 6.723 4.692 929 HA SER 119 HA SER 119 9.137 7.232 2.462 930 HB2 SER 119 1HB SER 119 6.393 5.962 2.486 931 HB3 SER 119 2HB SER 119 7.643 5.750 1.259 932 HG SER 119 HG SER 119 8.200 5.152 3.952 933 H ILE 120 H ILE 120 6.059 8.600 3.426 934 HA ILE 120 HA ILE 120 5.926 10.095 0.904 935 HB ILE 120 HB ILE 120 3.621 10.697 1.624 936 HG12 ILE 120 1HG1 ILE 120 4.048 8.651 3.799 937 HG13 ILE 120 2HG1 ILE 120 4.094 10.392 4.072 938 HG21 ILE 120 1HG2 ILE 120 4.230 7.748 1.516 939 HG22 ILE 120 2HG2 ILE 120 4.007 8.816 0.130 940 HG23 ILE 120 3HG2 ILE 120 2.655 8.482 1.212 941 HD11 ILE 120 1HD1 ILE 120 1.941 9.432 4.678 942 HD12 ILE 120 2HD1 ILE 120 1.736 8.846 3.028 943 HD13 ILE 120 3HD1 ILE 120 1.789 10.579 3.349 944 H LYS 121 H LYS 121 7.417 10.521 3.696 945 HA LYS 121 HA LYS 121 6.488 13.189 4.332 946 HB2 LYS 121 1HB LYS 121 7.189 11.656 6.122 947 HB3 LYS 121 2HB LYS 121 8.812 11.612 5.445 948 HG2 LYS 121 1HG LYS 121 8.879 14.115 5.773 949 HG3 LYS 121 2HG LYS 121 7.395 13.940 6.708 950 HD2 LYS 121 1HD LYS 121 8.526 12.449 8.259 951 HD3 LYS 121 2HD LYS 121 10.007 12.552 7.303 952 HE2 LYS 121 1HE LYS 121 8.641 14.813 8.758 953 HE3 LYS 121 2HE LYS 121 10.147 14.024 9.222 954 HZ1 LYS 121 1HZ LYS 121 10.577 16.111 8.108 955 HZ2 LYS 121 2HZ LYS 121 9.702 15.615 6.751 956 HZ3 LYS 121 3HZ LYS 121 11.145 14.832 7.160 957 H LYS 122 H LYS 122 7.359 15.029 3.638 958 HA LYS 122 HA LYS 122 9.441 15.116 1.714 959 HB2 LYS 122 1HB LYS 122 9.169 17.615 3.115 960 HB3 LYS 122 2HB LYS 122 8.763 17.240 1.457 961 HG2 LYS 122 1HG LYS 122 6.563 16.497 2.121 962 HG3 LYS 122 2HG LYS 122 6.973 16.726 3.822 963 HD2 LYS 122 1HD LYS 122 7.347 19.140 3.338 964 HD3 LYS 122 2HD LYS 122 6.748 18.856 1.702 965 HE2 LYS 122 1HE LYS 122 4.602 18.161 2.568 966 HE3 LYS 122 2HE LYS 122 5.192 18.296 4.224 967 HZ1 LYS 122 1HZ LYS 122 4.883 20.529 2.293 968 HZ2 LYS 122 2HZ LYS 122 5.501 20.677 3.859 969 HZ3 LYS 122 3HZ LYS 122 3.892 20.220 3.627 970 H ASP 123 H ASP 123 11.577 15.047 2.026 971 HA ASP 123 HA ASP 123 12.552 15.209 4.782 972 HB2 ASP 123 1HB ASP 123 13.059 13.163 3.477 973 HB3 ASP 123 2HB ASP 123 13.974 14.145 2.339 974 H21 ACD 201 H21 ACD 1 -4.580 4.999 1.783 975 H22 ACD 201 H22 ACD 1 -3.338 5.163 3.033 976 H31 ACD 201 H31 ACD 1 -1.946 6.487 1.439 977 H32 ACD 201 H32 ACD 1 -3.168 6.266 0.192 978 H41 ACD 201 H41 ACD 1 -2.847 3.787 0.349 979 H42 ACD 201 H42 ACD 1 -1.361 4.628 -0.108 980 H5 ACD 201 H5 ACD 1 -1.880 3.190 2.530 981 H6 ACD 201 H6 ACD 1 0.402 3.778 2.954 982 H71 ACD 201 H71 ACD 1 0.771 4.804 0.266 983 H72 ACD 201 H72 ACD 1 -0.101 6.086 1.102 984 H8 ACD 201 H8 ACD 1 1.818 6.434 2.663 985 H9 ACD 201 H9 ACD 1 3.906 5.517 1.967 986 H101 ACD 201 H101 ACD 1 2.723 4.652 -0.551 987 H102 ACD 201 H102 ACD 1 2.335 3.371 0.601 988 H11 ACD 201 H11 ACD 1 5.281 4.288 0.313 989 H12 ACD 201 H12 ACD 1 5.611 1.951 0.015 990 H131 ACD 201 H131 ACD 1 2.610 1.936 -0.542 991 H132 ACD 201 H132 ACD 1 3.714 0.565 -0.674 992 H14 ACD 201 H14 ACD 1 2.688 1.650 2.049 993 H15 ACD 201 H15 ACD 1 2.654 -0.683 2.540 994 H161 ACD 201 H161 ACD 1 2.784 -1.378 -0.287 995 H162 ACD 201 H162 ACD 1 4.451 -1.009 0.169 996 H171 ACD 201 H171 ACD 1 4.463 -2.707 1.877 997 H172 ACD 201 H172 ACD 1 2.720 -2.933 1.759 998 H181 ACD 201 H181 ACD 1 4.718 -3.564 -0.453 999 H182 ACD 201 H182 ACD 1 2.973 -3.813 -0.548 1000 H191 ACD 201 H191 ACD 1 4.903 -5.175 1.383 1001 H192 ACD 201 H192 ACD 1 3.149 -5.335 1.478 1002 H201 ACD 201 H201 ACD 1 3.147 -6.258 -0.829 1003 H202 ACD 201 H202 ACD 1 4.110 -7.212 0.248 1004 H203 ACD 201 H203 ACD 1 4.872 -6.139 -0.875 Start of MODEL 12 1 H1 MET 1 1H MET 1 15.572 13.654 -16.963 2 H2 MET 1 2H MET 1 16.091 12.526 -18.104 3 H3 MET 1 3H MET 1 17.083 12.914 -16.792 4 HA MET 1 HA MET 1 14.467 11.535 -16.667 5 HB2 MET 1 1HB MET 1 17.284 10.547 -16.171 6 HB3 MET 1 2HB MET 1 15.830 9.627 -15.817 7 HG2 MET 1 1HG MET 1 15.250 9.562 -18.155 8 HG3 MET 1 2HG MET 1 16.619 10.599 -18.552 9 HE1 MET 1 1HE MET 1 17.453 8.871 -20.389 10 HE2 MET 1 2HE MET 1 16.062 7.853 -20.023 11 HE3 MET 1 3HE MET 1 17.677 7.150 -20.073 12 H GLU 2 H GLU 2 13.577 12.822 -15.051 13 HA GLU 2 HA GLU 2 15.021 12.769 -12.483 14 HB2 GLU 2 1HB GLU 2 12.971 14.769 -13.423 15 HB3 GLU 2 2HB GLU 2 13.732 14.751 -11.840 16 HG2 GLU 2 1HG GLU 2 15.891 15.174 -12.858 17 HG3 GLU 2 2HG GLU 2 15.152 15.137 -14.457 18 H PHE 3 H PHE 3 14.227 11.306 -11.191 19 HA PHE 3 HA PHE 3 11.478 10.423 -11.488 20 HB2 PHE 3 1HB PHE 3 13.198 8.719 -11.240 21 HB3 PHE 3 2HB PHE 3 13.691 9.408 -9.692 22 HD1 PHE 3 HD1 PHE 3 12.656 8.728 -7.710 23 HD2 PHE 3 HD2 PHE 3 10.871 7.781 -11.451 24 HE1 PHE 3 HE1 PHE 3 11.036 7.269 -6.565 25 HE2 PHE 3 HE2 PHE 3 9.247 6.325 -10.314 26 HZ PHE 3 HZ PHE 3 9.329 6.067 -7.866 27 H THR 4 H THR 4 9.876 11.106 -10.290 28 HA THR 4 HA THR 4 10.464 12.488 -7.747 29 HB THR 4 HB THR 4 7.746 12.734 -8.854 30 HG1 THR 4 HG1 THR 4 10.027 13.869 -10.164 31 HG21 THR 4 1HG2 THR 4 8.539 13.911 -6.871 32 HG22 THR 4 2HG2 THR 4 8.055 15.034 -8.142 33 HG23 THR 4 3HG2 THR 4 9.765 14.723 -7.841 34 H VAL 5 H VAL 5 9.759 11.655 -5.933 35 HA VAL 5 HA VAL 5 8.277 9.130 -6.049 36 HB VAL 5 HB VAL 5 9.211 8.547 -4.062 37 HG11 VAL 5 1HG1 VAL 5 11.453 9.345 -3.774 38 HG12 VAL 5 2HG1 VAL 5 11.102 10.768 -4.752 39 HG13 VAL 5 3HG1 VAL 5 11.079 9.167 -5.487 40 HG21 VAL 5 1HG2 VAL 5 8.000 10.232 -2.766 41 HG22 VAL 5 2HG2 VAL 5 9.244 11.421 -3.158 42 HG23 VAL 5 3HG2 VAL 5 9.648 10.013 -2.176 43 H SER 6 H SER 6 6.486 8.781 -4.605 44 HA SER 6 HA SER 6 4.681 11.030 -4.826 45 HB2 SER 6 1HB SER 6 2.984 9.273 -4.112 46 HB3 SER 6 2HB SER 6 3.812 8.977 -5.639 47 HG SER 6 HG SER 6 4.811 7.922 -3.222 48 H THR 7 H THR 7 5.309 12.422 -3.199 49 HA THR 7 HA THR 7 5.553 11.573 -0.465 50 HB THR 7 HB THR 7 5.713 13.970 0.057 51 HG1 THR 7 HG1 THR 7 4.980 14.233 -2.691 52 HG21 THR 7 1HG2 THR 7 7.745 14.457 -1.196 53 HG22 THR 7 2HG2 THR 7 7.337 13.208 -2.371 54 HG23 THR 7 3HG2 THR 7 7.713 12.763 -0.705 55 H THR 8 H THR 8 4.204 13.323 1.061 56 HA THR 8 HA THR 8 1.658 12.241 1.260 57 HB THR 8 HB THR 8 2.321 14.984 2.296 58 HG1 THR 8 HG1 THR 8 3.542 12.554 2.870 59 HG21 THR 8 1HG2 THR 8 0.724 12.673 3.400 60 HG22 THR 8 2HG2 THR 8 0.069 14.158 2.714 61 HG23 THR 8 3HG2 THR 8 0.987 14.212 4.217 62 H GLU 9 H GLU 9 2.724 15.228 -0.305 63 HA GLU 9 HA GLU 9 0.165 16.217 -0.925 64 HB2 GLU 9 1HB GLU 9 2.187 17.608 -1.006 65 HB3 GLU 9 2HB GLU 9 2.774 16.687 -2.383 66 HG2 GLU 9 1HG GLU 9 1.821 18.798 -3.092 67 HG3 GLU 9 2HG GLU 9 0.868 17.446 -3.703 68 H ASP 10 H ASP 10 2.470 14.348 -2.888 69 HA ASP 10 HA ASP 10 0.891 14.106 -5.189 70 HB2 ASP 10 1HB ASP 10 2.848 12.039 -4.165 71 HB3 ASP 10 2HB ASP 10 2.315 12.271 -5.826 72 H LEU 11 H LEU 11 1.090 12.196 -2.260 73 HA LEU 11 HA LEU 11 -0.481 10.035 -3.078 74 HB2 LEU 11 1HB LEU 11 0.930 9.844 -1.163 75 HB3 LEU 11 2HB LEU 11 0.079 11.150 -0.330 76 HG LEU 11 HG LEU 11 -1.932 9.707 -0.250 77 HD11 LEU 11 1HD1 LEU 11 -0.082 7.590 -1.318 78 HD12 LEU 11 2HD1 LEU 11 -1.420 8.330 -2.199 79 HD13 LEU 11 3HD1 LEU 11 -1.743 7.355 -0.771 80 HD21 LEU 11 1HD2 LEU 11 0.477 8.352 0.938 81 HD22 LEU 11 2HD2 LEU 11 -1.174 8.358 1.557 82 HD23 LEU 11 3HD2 LEU 11 -0.220 9.838 1.576 83 H GLN 12 H GLN 12 -1.355 13.114 -1.559 84 HA GLN 12 HA GLN 12 -4.073 12.381 -1.106 85 HB2 GLN 12 1HB GLN 12 -2.803 15.117 -1.290 86 HB3 GLN 12 2HB GLN 12 -4.451 14.811 -0.760 87 HG2 GLN 12 1HG GLN 12 -3.496 13.414 1.088 88 HG3 GLN 12 2HG GLN 12 -1.903 13.997 0.608 89 HE21 GLN 12 1HE2 GLN 12 -1.381 16.168 0.938 90 HE22 GLN 12 2HE2 GLN 12 -2.288 17.172 2.014 91 H ARG 13 H ARG 13 -2.293 13.644 -3.774 92 HA ARG 13 HA ARG 13 -4.438 14.616 -5.325 93 HB2 ARG 13 1HB ARG 13 -2.094 15.161 -5.786 94 HB3 ARG 13 2HB ARG 13 -1.779 13.484 -6.202 95 HG2 ARG 13 1HG ARG 13 -3.238 13.635 -8.116 96 HG3 ARG 13 2HG ARG 13 -3.688 15.291 -7.668 97 HD2 ARG 13 1HD ARG 13 -0.962 14.305 -8.498 98 HD3 ARG 13 2HD ARG 13 -2.033 15.360 -9.419 99 HE ARG 13 HE ARG 13 -1.667 16.723 -7.113 100 HH11 ARG 13 1HH1 ARG 13 0.538 15.287 -9.419 101 HH12 ARG 13 2HH1 ARG 13 1.804 16.431 -9.116 102 HH21 ARG 13 1HH2 ARG 13 0.001 18.229 -6.701 103 HH22 ARG 13 2HH2 ARG 13 1.501 18.109 -7.568 104 H TYR 14 H TYR 14 -2.650 11.531 -5.555 105 HA TYR 14 HA TYR 14 -4.325 10.344 -7.477 106 HB2 TYR 14 1HB TYR 14 -2.658 8.978 -5.351 107 HB3 TYR 14 2HB TYR 14 -3.324 8.217 -6.787 108 HD1 TYR 14 HD1 TYR 14 -0.371 9.343 -5.487 109 HD2 TYR 14 HD2 TYR 14 -2.731 9.731 -9.009 110 HE1 TYR 14 HE1 TYR 14 1.644 9.916 -6.770 111 HE2 TYR 14 HE2 TYR 14 -0.721 10.300 -10.300 112 HH TYR 14 HH TYR 14 2.418 9.834 -9.107 113 H ARG 15 H ARG 15 -4.514 10.485 -4.002 114 HA ARG 15 HA ARG 15 -6.308 8.382 -3.609 115 HB2 ARG 15 1HB ARG 15 -5.522 8.822 -1.583 116 HB3 ARG 15 2HB ARG 15 -5.027 10.436 -2.054 117 HG2 ARG 15 1HG ARG 15 -7.242 11.289 -1.514 118 HG3 ARG 15 2HG ARG 15 -7.790 9.651 -1.129 119 HD2 ARG 15 1HD ARG 15 -6.043 9.521 0.621 120 HD3 ARG 15 2HD ARG 15 -5.612 11.195 0.285 121 HE ARG 15 HE ARG 15 -8.033 11.657 0.920 122 HH11 ARG 15 1HH1 ARG 15 -6.154 9.002 2.232 123 HH12 ARG 15 2HH1 ARG 15 -6.954 9.035 3.767 124 HH21 ARG 15 1HH2 ARG 15 -9.090 11.701 2.931 125 HH22 ARG 15 2HH2 ARG 15 -8.660 10.552 4.156 126 H THR 16 H THR 16 -6.871 11.832 -4.169 127 HA THR 16 HA THR 16 -9.680 11.776 -3.841 128 HB THR 16 HB THR 16 -8.258 13.580 -5.789 129 HG1 THR 16 HG1 THR 16 -8.223 13.608 -2.941 130 HG21 THR 16 1HG2 THR 16 -10.690 13.716 -5.686 131 HG22 THR 16 2HG2 THR 16 -9.944 15.187 -5.063 132 HG23 THR 16 3HG2 THR 16 -10.608 13.995 -3.947 133 H GLU 17 H GLU 17 -7.597 11.316 -6.667 134 HA GLU 17 HA GLU 17 -9.632 11.106 -8.598 135 HB2 GLU 17 1HB GLU 17 -7.094 9.516 -8.843 136 HB3 GLU 17 2HB GLU 17 -7.993 10.358 -10.085 137 HG2 GLU 17 1HG GLU 17 -6.386 11.699 -7.926 138 HG3 GLU 17 2HG GLU 17 -5.872 11.446 -9.594 139 H CYS 18 H CYS 18 -8.139 8.668 -6.512 140 HA CYS 18 HA CYS 18 -9.552 6.483 -7.672 141 HB2 CYS 18 1HB CYS 18 -8.143 6.762 -5.014 142 HB3 CYS 18 2HB CYS 18 -8.876 5.259 -5.595 143 H VAL 19 H VAL 19 -10.224 8.757 -5.105 144 HA VAL 19 HA VAL 19 -12.382 7.368 -3.952 145 HB VAL 19 HB VAL 19 -11.497 10.228 -3.877 146 HG11 VAL 19 1HG1 VAL 19 -13.953 10.290 -3.972 147 HG12 VAL 19 2HG1 VAL 19 -13.335 10.790 -2.396 148 HG13 VAL 19 3HG1 VAL 19 -14.024 9.177 -2.601 149 HG21 VAL 19 1HG2 VAL 19 -11.329 9.716 -1.466 150 HG22 VAL 19 2HG2 VAL 19 -10.339 8.652 -2.467 151 HG23 VAL 19 3HG2 VAL 19 -11.868 8.069 -1.805 152 H SER 20 H SER 20 -12.296 10.024 -6.302 153 HA SER 20 HA SER 20 -15.070 10.122 -6.735 154 HB2 SER 20 1HB SER 20 -12.764 10.968 -8.492 155 HB3 SER 20 2HB SER 20 -14.446 11.442 -8.747 156 HG SER 20 HG SER 20 -13.115 12.973 -7.549 157 H SER 21 H SER 21 -12.577 8.083 -8.148 158 HA SER 21 HA SER 21 -14.196 7.302 -10.399 159 HB2 SER 21 1HB SER 21 -11.606 6.171 -9.322 160 HB3 SER 21 2HB SER 21 -12.342 5.729 -10.863 161 HG SER 21 HG SER 21 -11.185 8.190 -10.072 162 H LEU 22 H LEU 22 -13.185 5.782 -7.333 163 HA LEU 22 HA LEU 22 -14.681 3.385 -7.993 164 HB2 LEU 22 1HB LEU 22 -12.965 4.143 -5.636 165 HB3 LEU 22 2HB LEU 22 -13.802 2.594 -5.770 166 HG LEU 22 HG LEU 22 -11.785 3.579 -7.783 167 HD11 LEU 22 1HD1 LEU 22 -11.434 1.716 -5.437 168 HD12 LEU 22 2HD1 LEU 22 -10.692 3.305 -5.633 169 HD13 LEU 22 3HD1 LEU 22 -10.242 1.982 -6.709 170 HD21 LEU 22 1HD2 LEU 22 -13.450 1.910 -8.538 171 HD22 LEU 22 2HD2 LEU 22 -12.887 0.827 -7.262 172 HD23 LEU 22 3HD2 LEU 22 -11.792 1.312 -8.559 173 H ASN 23 H ASN 23 -15.762 6.204 -7.079 174 HA ASN 23 HA ASN 23 -17.529 7.042 -5.908 175 HB2 ASN 23 1HB ASN 23 -18.646 5.280 -7.283 176 HB3 ASN 23 2HB ASN 23 -18.518 4.189 -5.919 177 HD21 ASN 23 1HD2 ASN 23 -20.711 3.949 -5.683 178 HD22 ASN 23 2HD2 ASN 23 -21.741 5.220 -5.112 179 H ILE 24 H ILE 24 -15.259 6.277 -4.346 180 HA ILE 24 HA ILE 24 -15.929 4.830 -2.031 181 HB ILE 24 HB ILE 24 -13.904 7.061 -2.230 182 HG12 ILE 24 1HG1 ILE 24 -13.562 5.393 -4.031 183 HG13 ILE 24 2HG1 ILE 24 -12.263 5.351 -2.841 184 HG21 ILE 24 1HG2 ILE 24 -12.768 5.855 -0.428 185 HG22 ILE 24 2HG2 ILE 24 -14.069 4.663 -0.404 186 HG23 ILE 24 3HG2 ILE 24 -14.397 6.336 0.045 187 HD11 ILE 24 1HD1 ILE 24 -13.285 3.371 -1.822 188 HD12 ILE 24 2HD1 ILE 24 -12.897 3.117 -3.525 189 HD13 ILE 24 3HD1 ILE 24 -14.564 3.420 -3.036 190 HA PRO 25 HA PRO 25 -18.725 7.800 -0.147 191 HB2 PRO 25 1HB PRO 25 -18.256 6.126 2.229 192 HB3 PRO 25 2HB PRO 25 -19.769 6.532 1.417 193 HG2 PRO 25 1HG PRO 25 -18.691 4.085 1.273 194 HG3 PRO 25 2HG PRO 25 -19.591 4.807 -0.074 195 HD2 PRO 25 1HD PRO 25 -16.639 4.489 0.287 196 HD3 PRO 25 2HD PRO 25 -17.623 4.364 -1.195 197 H ALA 26 H ALA 26 -18.405 9.567 1.018 198 HA ALA 26 HA ALA 26 -15.846 10.503 1.587 199 HB1 ALA 26 1HB ALA 26 -18.455 11.449 2.755 200 HB2 ALA 26 2HB ALA 26 -17.798 11.927 1.190 201 HB3 ALA 26 3HB ALA 26 -16.952 12.368 2.675 202 H ASP 27 H ASP 27 -18.195 8.913 3.675 203 HA ASP 27 HA ASP 27 -17.049 9.297 6.164 204 HB2 ASP 27 1HB ASP 27 -19.163 8.185 5.953 205 HB3 ASP 27 2HB ASP 27 -18.436 6.851 5.062 206 H TYR 28 H TYR 28 -16.340 6.672 3.849 207 HA TYR 28 HA TYR 28 -14.304 5.480 5.318 208 HB2 TYR 28 1HB TYR 28 -15.021 5.489 2.414 209 HB3 TYR 28 2HB TYR 28 -13.533 4.701 2.946 210 HD1 TYR 28 HD1 TYR 28 -13.601 2.592 4.067 211 HD2 TYR 28 HD2 TYR 28 -17.210 4.709 3.289 212 HE1 TYR 28 HE1 TYR 28 -14.898 0.615 4.731 213 HE2 TYR 28 HE2 TYR 28 -18.514 2.734 3.948 214 HH TYR 28 HH TYR 28 -17.118 0.076 5.570 215 H VAL 29 H VAL 29 -14.220 8.126 3.003 216 HA VAL 29 HA VAL 29 -11.466 8.367 2.671 217 HB VAL 29 HB VAL 29 -13.517 10.573 2.696 218 HG11 VAL 29 1HG1 VAL 29 -10.748 10.425 1.524 219 HG12 VAL 29 2HG1 VAL 29 -11.289 11.477 2.831 220 HG13 VAL 29 3HG1 VAL 29 -11.906 11.714 1.196 221 HG21 VAL 29 1HG2 VAL 29 -13.527 10.225 0.246 222 HG22 VAL 29 2HG2 VAL 29 -14.149 8.845 1.152 223 HG23 VAL 29 3HG2 VAL 29 -12.517 8.798 0.482 224 H GLU 30 H GLU 30 -13.600 9.824 5.124 225 HA GLU 30 HA GLU 30 -11.581 11.299 6.459 226 HB2 GLU 30 1HB GLU 30 -14.008 10.201 7.851 227 HB3 GLU 30 2HB GLU 30 -13.135 11.703 8.141 228 HG2 GLU 30 1HG GLU 30 -13.860 12.465 5.886 229 HG3 GLU 30 2HG GLU 30 -14.917 11.060 5.826 230 H LYS 31 H LYS 31 -12.673 7.971 6.781 231 HA LYS 31 HA LYS 31 -11.234 7.289 9.110 232 HB2 LYS 31 1HB LYS 31 -11.894 5.558 6.721 233 HB3 LYS 31 2HB LYS 31 -11.276 4.969 8.269 234 HG2 LYS 31 1HG LYS 31 -13.297 5.852 9.371 235 HG3 LYS 31 2HG LYS 31 -13.918 6.332 7.790 236 HD2 LYS 31 1HD LYS 31 -13.768 3.968 7.052 237 HD3 LYS 31 2HD LYS 31 -13.244 3.527 8.685 238 HE2 LYS 31 1HE LYS 31 -15.840 4.958 8.168 239 HE3 LYS 31 2HE LYS 31 -15.715 3.198 8.149 240 HZ1 LYS 31 1HZ LYS 31 -14.930 4.909 10.442 241 HZ2 LYS 31 2HZ LYS 31 -14.990 3.220 10.416 242 HZ3 LYS 31 3HZ LYS 31 -16.415 4.120 10.306 243 H PHE 32 H PHE 32 -10.355 6.956 5.685 244 HA PHE 32 HA PHE 32 -7.782 5.948 6.055 245 HB2 PHE 32 1HB PHE 32 -8.664 7.709 3.770 246 HB3 PHE 32 2HB PHE 32 -7.378 6.508 3.748 247 HD1 PHE 32 HD1 PHE 32 -8.961 4.355 5.260 248 HD2 PHE 32 HD2 PHE 32 -9.910 6.854 1.950 249 HE1 PHE 32 HE1 PHE 32 -10.560 2.673 4.450 250 HE2 PHE 32 HE2 PHE 32 -11.514 5.174 1.138 251 HZ PHE 32 HZ PHE 32 -11.838 3.078 2.387 252 H LYS 33 H LYS 33 -9.019 9.193 6.046 253 HA LYS 33 HA LYS 33 -6.621 10.646 5.828 254 HB2 LYS 33 1HB LYS 33 -9.141 11.394 5.763 255 HB3 LYS 33 2HB LYS 33 -8.911 11.609 7.494 256 HG2 LYS 33 1HG LYS 33 -7.088 13.152 7.098 257 HG3 LYS 33 2HG LYS 33 -7.252 12.918 5.351 258 HD2 LYS 33 1HD LYS 33 -9.521 13.830 5.447 259 HD3 LYS 33 2HD LYS 33 -9.370 14.050 7.190 260 HE2 LYS 33 1HE LYS 33 -7.529 15.615 6.833 261 HE3 LYS 33 2HE LYS 33 -7.658 15.379 5.092 262 HZ1 LYS 33 1HZ LYS 33 -9.761 16.534 6.844 263 HZ2 LYS 33 2HZ LYS 33 -9.895 16.295 5.176 264 HZ3 LYS 33 3HZ LYS 33 -8.768 17.401 5.782 265 H LYS 34 H LYS 34 -8.097 8.949 8.490 266 HA LYS 34 HA LYS 34 -6.051 10.027 10.300 267 HB2 LYS 34 1HB LYS 34 -8.731 8.758 10.830 268 HB3 LYS 34 2HB LYS 34 -7.527 8.930 12.102 269 HG2 LYS 34 1HG LYS 34 -8.765 11.162 10.502 270 HG3 LYS 34 2HG LYS 34 -9.157 10.732 12.166 271 HD2 LYS 34 1HD LYS 34 -6.814 11.221 12.796 272 HD3 LYS 34 2HD LYS 34 -6.507 11.745 11.141 273 HE2 LYS 34 1HE LYS 34 -8.450 12.972 13.092 274 HE3 LYS 34 2HE LYS 34 -6.923 13.666 12.551 275 HZ1 LYS 34 1HZ LYS 34 -9.331 13.175 10.881 276 HZ2 LYS 34 2HZ LYS 34 -7.850 13.718 10.282 277 HZ3 LYS 34 3HZ LYS 34 -8.724 14.677 11.363 278 H TRP 35 H TRP 35 -5.497 8.051 8.300 279 HA TRP 35 HA TRP 35 -4.498 6.048 7.974 280 HB2 TRP 35 1HB TRP 35 -3.600 6.726 10.767 281 HB3 TRP 35 2HB TRP 35 -2.949 5.355 9.859 282 HD1 TRP 35 HD1 TRP 35 -2.626 9.081 10.259 283 HE1 TRP 35 HE1 TRP 35 -0.782 9.958 8.691 284 HE3 TRP 35 HE3 TRP 35 -1.910 4.888 7.428 285 HZ2 TRP 35 HZ2 TRP 35 0.766 8.997 6.541 286 HZ3 TRP 35 HZ3 TRP 35 -0.235 4.947 5.634 287 HH2 TRP 35 HH2 TRP 35 1.080 6.955 5.196 288 H GLU 36 H GLU 36 -7.187 5.683 8.659 289 HA GLU 36 HA GLU 36 -6.990 3.116 10.063 290 HB2 GLU 36 1HB GLU 36 -8.166 4.878 11.400 291 HB3 GLU 36 2HB GLU 36 -9.391 4.932 10.142 292 HG2 GLU 36 1HG GLU 36 -10.043 2.694 10.574 293 HG3 GLU 36 2HG GLU 36 -8.677 2.438 11.654 294 H PHE 37 H PHE 37 -7.286 1.545 8.708 295 HA PHE 37 HA PHE 37 -9.029 1.972 6.363 296 HB2 PHE 37 1HB PHE 37 -6.634 0.123 6.559 297 HB3 PHE 37 2HB PHE 37 -7.563 0.485 5.109 298 HD1 PHE 37 HD1 PHE 37 -5.212 1.874 7.585 299 HD2 PHE 37 HD2 PHE 37 -7.107 2.431 3.812 300 HE1 PHE 37 HE1 PHE 37 -3.687 3.740 7.098 301 HE2 PHE 37 HE2 PHE 37 -5.588 4.302 3.326 302 HZ PHE 37 HZ PHE 37 -3.875 4.958 4.969 303 HA PRO 38 HA PRO 38 -11.293 -1.402 8.490 304 HB2 PRO 38 1HB PRO 38 -13.166 -0.727 6.293 305 HB3 PRO 38 2HB PRO 38 -13.473 -0.924 8.029 306 HG2 PRO 38 1HG PRO 38 -13.470 1.499 6.947 307 HG3 PRO 38 2HG PRO 38 -12.731 1.216 8.534 308 HD2 PRO 38 1HD PRO 38 -11.387 1.496 5.857 309 HD3 PRO 38 2HD PRO 38 -10.927 2.204 7.436 310 H GLU 39 H GLU 39 -11.528 -3.488 7.933 311 HA GLU 39 HA GLU 39 -10.279 -4.365 5.488 312 HB2 GLU 39 1HB GLU 39 -9.912 -5.443 7.719 313 HB3 GLU 39 2HB GLU 39 -11.568 -6.023 7.658 314 HG2 GLU 39 1HG GLU 39 -11.064 -7.350 5.704 315 HG3 GLU 39 2HG GLU 39 -9.425 -6.702 5.658 316 H ASP 40 H ASP 40 -11.743 -3.550 3.985 317 HA ASP 40 HA ASP 40 -14.143 -5.134 3.570 318 HB2 ASP 40 1HB ASP 40 -15.119 -3.415 4.911 319 HB3 ASP 40 2HB ASP 40 -14.233 -2.151 4.062 320 H ASP 41 H ASP 41 -14.892 -5.112 1.446 321 HA ASP 41 HA ASP 41 -13.054 -5.112 -0.563 322 HB2 ASP 41 1HB ASP 41 -15.221 -6.113 -0.877 323 HB3 ASP 41 2HB ASP 41 -16.015 -4.544 -0.783 324 H THR 42 H THR 42 -15.194 -2.388 0.221 325 HA THR 42 HA THR 42 -14.550 -0.670 -1.855 326 HB THR 42 HB THR 42 -15.172 0.078 1.005 327 HG1 THR 42 HG1 THR 42 -16.906 -1.060 0.452 328 HG21 THR 42 1HG2 THR 42 -15.477 1.570 -1.595 329 HG22 THR 42 2HG2 THR 42 -14.419 1.990 -0.247 330 HG23 THR 42 3HG2 THR 42 -16.170 2.088 -0.059 331 H THR 43 H THR 43 -13.090 -0.764 1.390 332 HA THR 43 HA THR 43 -11.088 1.137 0.961 333 HB THR 43 HB THR 43 -10.931 -1.265 2.783 334 HG1 THR 43 HG1 THR 43 -11.779 0.510 4.285 335 HG21 THR 43 1HG2 THR 43 -9.630 1.460 2.874 336 HG22 THR 43 2HG2 THR 43 -8.823 -0.089 2.635 337 HG23 THR 43 3HG2 THR 43 -9.572 0.286 4.190 338 H MET 44 H MET 44 -11.243 -2.273 0.202 339 HA MET 44 HA MET 44 -8.468 -2.713 -0.128 340 HB2 MET 44 1HB MET 44 -10.823 -4.218 -1.261 341 HB3 MET 44 2HB MET 44 -9.163 -4.801 -1.259 342 HG2 MET 44 1HG MET 44 -9.144 -4.843 1.149 343 HG3 MET 44 2HG MET 44 -10.752 -4.132 1.203 344 HE1 MET 44 1HE MET 44 -9.851 -6.792 2.739 345 HE2 MET 44 2HE MET 44 -11.308 -7.762 2.510 346 HE3 MET 44 3HE MET 44 -11.441 -6.037 2.864 347 H CYS 45 H CYS 45 -11.070 -2.223 -2.524 348 HA CYS 45 HA CYS 45 -9.294 -2.156 -4.731 349 HB2 CYS 45 1HB CYS 45 -12.121 -1.122 -4.452 350 HB3 CYS 45 2HB CYS 45 -11.221 -1.114 -5.964 351 H TYR 46 H TYR 46 -10.402 0.281 -2.483 352 HA TYR 46 HA TYR 46 -9.556 2.554 -3.870 353 HB2 TYR 46 1HB TYR 46 -10.857 2.943 -1.957 354 HB3 TYR 46 2HB TYR 46 -9.841 1.924 -0.940 355 HD1 TYR 46 HD1 TYR 46 -8.303 2.945 0.465 356 HD2 TYR 46 HD2 TYR 46 -9.684 5.076 -2.954 357 HE1 TYR 46 HE1 TYR 46 -7.068 4.935 1.212 358 HE2 TYR 46 HE2 TYR 46 -8.446 7.069 -2.212 359 HH TYR 46 HH TYR 46 -6.177 6.986 0.387 360 H ILE 47 H ILE 47 -7.856 0.559 -1.474 361 HA ILE 47 HA ILE 47 -5.385 1.842 -1.598 362 HB ILE 47 HB ILE 47 -6.054 -1.019 -0.941 363 HG12 ILE 47 1HG1 ILE 47 -6.995 0.633 0.601 364 HG13 ILE 47 2HG1 ILE 47 -5.715 -0.278 1.395 365 HG21 ILE 47 1HG2 ILE 47 -3.802 -1.135 0.100 366 HG22 ILE 47 2HG2 ILE 47 -3.421 0.420 -0.641 367 HG23 ILE 47 3HG2 ILE 47 -3.757 -0.982 -1.657 368 HD11 ILE 47 1HD1 ILE 47 -4.180 1.642 0.895 369 HD12 ILE 47 2HD1 ILE 47 -5.481 1.988 2.031 370 HD13 ILE 47 3HD1 ILE 47 -5.602 2.543 0.361 371 H LYS 48 H LYS 48 -6.740 -0.758 -3.555 372 HA LYS 48 HA LYS 48 -4.435 -1.462 -4.965 373 HB2 LYS 48 1HB LYS 48 -6.615 -2.708 -4.973 374 HB3 LYS 48 2HB LYS 48 -7.256 -1.471 -6.042 375 HG2 LYS 48 1HG LYS 48 -5.358 -2.029 -7.617 376 HG3 LYS 48 2HG LYS 48 -5.044 -3.424 -6.587 377 HD2 LYS 48 1HD LYS 48 -6.413 -4.054 -8.493 378 HD3 LYS 48 2HD LYS 48 -7.317 -4.234 -6.990 379 HE2 LYS 48 1HE LYS 48 -8.480 -2.155 -7.404 380 HE3 LYS 48 2HE LYS 48 -7.506 -1.864 -8.844 381 HZ1 LYS 48 1HZ LYS 48 -9.729 -2.762 -9.326 382 HZ2 LYS 48 2HZ LYS 48 -9.332 -4.179 -8.492 383 HZ3 LYS 48 3HZ LYS 48 -8.488 -3.755 -9.897 384 H CYS 49 H CYS 49 -7.056 0.777 -5.864 385 HA CYS 49 HA CYS 49 -5.983 1.690 -8.248 386 HB2 CYS 49 1HB CYS 49 -8.230 2.201 -7.763 387 HB3 CYS 49 2HB CYS 49 -7.817 3.025 -6.262 388 H VAL 50 H VAL 50 -5.554 3.014 -4.972 389 HA VAL 50 HA VAL 50 -4.055 5.255 -5.690 390 HB VAL 50 HB VAL 50 -4.131 3.695 -3.111 391 HG11 VAL 50 1HG1 VAL 50 -2.939 6.406 -3.670 392 HG12 VAL 50 2HG1 VAL 50 -2.060 4.948 -3.203 393 HG13 VAL 50 3HG1 VAL 50 -3.177 5.706 -2.066 394 HG21 VAL 50 1HG2 VAL 50 -6.252 4.621 -3.624 395 HG22 VAL 50 2HG2 VAL 50 -5.531 6.159 -4.085 396 HG23 VAL 50 3HG2 VAL 50 -5.514 5.652 -2.396 397 H PHE 51 H PHE 51 -3.068 2.033 -4.631 398 HA PHE 51 HA PHE 51 -0.301 2.505 -4.685 399 HB2 PHE 51 1HB PHE 51 -2.064 0.113 -4.531 400 HB3 PHE 51 2HB PHE 51 -0.375 -0.150 -4.954 401 HD1 PHE 51 HD1 PHE 51 0.129 -1.384 -2.965 402 HD2 PHE 51 HD2 PHE 51 -1.474 2.551 -2.716 403 HE1 PHE 51 HE1 PHE 51 0.697 -1.305 -0.574 404 HE2 PHE 51 HE2 PHE 51 -0.907 2.634 -0.326 405 HZ PHE 51 HZ PHE 51 0.182 0.705 0.747 406 H ASN 52 H ASN 52 -2.609 1.776 -7.126 407 HA ASN 52 HA ASN 52 -0.708 0.812 -9.065 408 HB2 ASN 52 1HB ASN 52 -3.075 0.073 -9.073 409 HB3 ASN 52 2HB ASN 52 -3.573 1.727 -9.451 410 HD21 ASN 52 1HD2 ASN 52 -0.745 0.085 -10.748 411 HD22 ASN 52 2HD2 ASN 52 -1.290 0.056 -12.387 412 H LYS 53 H LYS 53 -2.393 3.830 -8.371 413 HA LYS 53 HA LYS 53 -1.443 5.159 -10.716 414 HB2 LYS 53 1HB LYS 53 -2.818 6.089 -8.216 415 HB3 LYS 53 2HB LYS 53 -2.249 7.237 -9.421 416 HG2 LYS 53 1HG LYS 53 -3.688 6.070 -11.096 417 HG3 LYS 53 2HG LYS 53 -4.309 5.060 -9.790 418 HD2 LYS 53 1HD LYS 53 -5.007 7.178 -8.624 419 HD3 LYS 53 2HD LYS 53 -4.587 8.045 -10.104 420 HE2 LYS 53 1HE LYS 53 -6.664 5.875 -9.810 421 HE3 LYS 53 2HE LYS 53 -6.963 7.592 -10.067 422 HZ1 LYS 53 1HZ LYS 53 -5.799 7.375 -12.217 423 HZ2 LYS 53 2HZ LYS 53 -7.209 6.449 -12.126 424 HZ3 LYS 53 3HZ LYS 53 -5.699 5.703 -11.975 425 H MET 54 H MET 54 -0.284 4.687 -7.493 426 HA MET 54 HA MET 54 1.743 6.729 -7.665 427 HB2 MET 54 1HB MET 54 1.124 4.558 -5.676 428 HB3 MET 54 2HB MET 54 2.562 5.569 -5.537 429 HG2 MET 54 1HG MET 54 1.303 7.491 -5.169 430 HG3 MET 54 2HG MET 54 -0.175 6.755 -5.782 431 HE1 MET 54 1HE MET 54 1.661 6.100 -1.614 432 HE2 MET 54 2HE MET 54 2.214 7.266 -2.815 433 HE3 MET 54 3HE MET 54 2.522 5.547 -3.050 434 H GLN 55 H GLN 55 1.359 3.914 -9.186 435 HA GLN 55 HA GLN 55 2.608 2.361 -10.191 436 HB2 GLN 55 1HB GLN 55 4.613 4.584 -9.967 437 HB3 GLN 55 2HB GLN 55 4.968 3.081 -10.831 438 HG2 GLN 55 1HG GLN 55 2.941 3.535 -12.225 439 HG3 GLN 55 2HG GLN 55 2.831 5.107 -11.440 440 HE21 GLN 55 1HE2 GLN 55 4.603 3.124 -13.647 441 HE22 GLN 55 2HE2 GLN 55 5.562 4.388 -14.337 442 H LEU 56 H LEU 56 2.241 1.673 -7.724 443 HA LEU 56 HA LEU 56 4.837 0.767 -6.728 444 HB2 LEU 56 1HB LEU 56 2.641 2.167 -5.398 445 HB3 LEU 56 2HB LEU 56 3.193 0.739 -4.510 446 HG LEU 56 HG LEU 56 4.913 3.048 -5.413 447 HD11 LEU 56 1HD1 LEU 56 3.868 2.328 -2.680 448 HD12 LEU 56 2HD1 LEU 56 3.371 3.709 -3.651 449 HD13 LEU 56 3HD1 LEU 56 5.016 3.615 -3.033 450 HD21 LEU 56 1HD2 LEU 56 5.506 0.594 -3.778 451 HD22 LEU 56 2HD2 LEU 56 6.561 2.002 -3.859 452 HD23 LEU 56 3HD2 LEU 56 6.237 1.062 -5.314 453 H PHE 57 H PHE 57 1.704 -0.054 -7.759 454 HA PHE 57 HA PHE 57 2.235 -2.870 -7.192 455 HB2 PHE 57 1HB PHE 57 0.714 -2.241 -5.410 456 HB3 PHE 57 2HB PHE 57 -0.362 -1.439 -6.543 457 HD1 PHE 57 HD1 PHE 57 0.873 -4.707 -5.380 458 HD2 PHE 57 HD2 PHE 57 -1.994 -2.660 -7.773 459 HE1 PHE 57 HE1 PHE 57 -0.419 -6.787 -5.608 460 HE2 PHE 57 HE2 PHE 57 -3.287 -4.738 -8.005 461 HZ PHE 57 HZ PHE 57 -2.501 -6.801 -6.921 462 H ASP 58 H ASP 58 1.767 -4.168 -8.853 463 HA ASP 58 HA ASP 58 0.291 -3.030 -11.135 464 HB2 ASP 58 1HB ASP 58 2.625 -3.296 -11.733 465 HB3 ASP 58 2HB ASP 58 2.645 -4.948 -11.124 466 H ASP 59 H ASP 59 -1.157 -4.381 -12.206 467 HA ASP 59 HA ASP 59 -2.565 -6.150 -10.484 468 HB2 ASP 59 1HB ASP 59 -4.128 -6.412 -12.301 469 HB3 ASP 59 2HB ASP 59 -3.639 -4.732 -12.233 470 H THR 60 H THR 60 -0.042 -6.641 -12.752 471 HA THR 60 HA THR 60 -0.659 -9.484 -13.007 472 HB THR 60 HB THR 60 1.276 -7.683 -14.451 473 HG1 THR 60 HG1 THR 60 -1.133 -7.859 -14.898 474 HG21 THR 60 1HG2 THR 60 1.860 -9.603 -15.846 475 HG22 THR 60 2HG2 THR 60 0.875 -10.652 -14.826 476 HG23 THR 60 3HG2 THR 60 2.314 -9.874 -14.164 477 H GLU 61 H GLU 61 2.306 -7.528 -12.474 478 HA GLU 61 HA GLU 61 3.695 -9.776 -11.370 479 HB2 GLU 61 1HB GLU 61 4.591 -6.918 -11.166 480 HB3 GLU 61 2HB GLU 61 5.564 -8.381 -11.221 481 HG2 GLU 61 1HG GLU 61 4.812 -8.742 -13.546 482 HG3 GLU 61 2HG GLU 61 3.995 -7.184 -13.479 483 H GLY 62 H GLY 62 1.596 -7.453 -10.022 484 HA2 GLY 62 1HA GLY 62 0.857 -7.386 -7.807 485 HA3 GLY 62 2HA GLY 62 2.200 -8.444 -7.365 486 HA PRO 63 HA PRO 63 3.358 -4.384 -5.539 487 HB2 PRO 63 1HB PRO 63 4.993 -6.171 -3.859 488 HB3 PRO 63 2HB PRO 63 3.814 -4.941 -3.380 489 HG2 PRO 63 1HG PRO 63 3.340 -7.592 -3.135 490 HG3 PRO 63 2HG PRO 63 2.059 -6.403 -3.440 491 HD2 PRO 63 1HD PRO 63 3.364 -8.324 -5.321 492 HD3 PRO 63 2HD PRO 63 1.677 -7.752 -5.271 493 H LEU 64 H LEU 64 4.902 -3.317 -6.632 494 HA LEU 64 HA LEU 64 7.153 -4.754 -7.776 495 HB2 LEU 64 1HB LEU 64 6.629 -1.773 -7.819 496 HB3 LEU 64 2HB LEU 64 7.847 -2.628 -8.736 497 HG LEU 64 HG LEU 64 6.189 -2.171 -10.289 498 HD11 LEU 64 1HD1 LEU 64 6.946 -4.417 -10.488 499 HD12 LEU 64 2HD1 LEU 64 5.223 -4.355 -10.870 500 HD13 LEU 64 3HD1 LEU 64 5.762 -4.973 -9.306 501 HD21 LEU 64 1HD2 LEU 64 4.145 -3.136 -8.308 502 HD22 LEU 64 2HD2 LEU 64 3.814 -2.635 -9.966 503 HD23 LEU 64 3HD2 LEU 64 4.428 -1.466 -8.798 504 H VAL 65 H VAL 65 8.450 -5.434 -6.252 505 HA VAL 65 HA VAL 65 8.967 -4.383 -3.784 506 HB VAL 65 HB VAL 65 10.779 -6.055 -5.504 507 HG11 VAL 65 1HG1 VAL 65 10.880 -5.565 -2.530 508 HG12 VAL 65 2HG1 VAL 65 12.046 -4.985 -3.720 509 HG13 VAL 65 3HG1 VAL 65 11.878 -6.716 -3.421 510 HG21 VAL 65 1HG2 VAL 65 8.677 -7.129 -5.141 511 HG22 VAL 65 2HG2 VAL 65 8.723 -6.743 -3.422 512 HG23 VAL 65 3HG2 VAL 65 9.873 -7.897 -4.098 513 H ASP 66 H ASP 66 10.791 -3.797 -6.776 514 HA ASP 66 HA ASP 66 12.893 -2.356 -5.616 515 HB2 ASP 66 1HB ASP 66 13.015 -3.223 -7.875 516 HB3 ASP 66 2HB ASP 66 11.739 -2.128 -8.394 517 H ASN 67 H ASN 67 9.906 -1.155 -7.134 518 HA ASN 67 HA ASN 67 10.336 1.573 -6.613 519 HB2 ASN 67 1HB ASN 67 7.775 0.013 -6.985 520 HB3 ASN 67 2HB ASN 67 7.855 1.766 -6.912 521 HD21 ASN 67 1HD2 ASN 67 6.897 1.746 -9.010 522 HD22 ASN 67 2HD2 ASN 67 7.873 1.451 -10.410 523 H LEU 68 H LEU 68 8.973 -1.030 -4.758 524 HA LEU 68 HA LEU 68 7.772 0.471 -2.709 525 HB2 LEU 68 1HB LEU 68 8.649 -2.367 -3.007 526 HB3 LEU 68 2HB LEU 68 8.134 -1.776 -1.435 527 HG LEU 68 HG LEU 68 6.413 -1.423 -3.868 528 HD11 LEU 68 1HD1 LEU 68 6.357 -3.765 -1.974 529 HD12 LEU 68 2HD1 LEU 68 6.953 -3.817 -3.632 530 HD13 LEU 68 3HD1 LEU 68 5.255 -3.462 -3.319 531 HD21 LEU 68 1HD2 LEU 68 4.638 -1.314 -2.201 532 HD22 LEU 68 2HD2 LEU 68 5.883 -0.101 -1.897 533 HD23 LEU 68 3HD2 LEU 68 5.824 -1.568 -0.921 534 H VAL 69 H VAL 69 10.971 -1.039 -2.942 535 HA VAL 69 HA VAL 69 11.908 -0.150 -0.414 536 HB VAL 69 HB VAL 69 13.458 -0.863 -2.899 537 HG11 VAL 69 1HG1 VAL 69 14.321 -0.553 -0.034 538 HG12 VAL 69 2HG1 VAL 69 14.848 0.408 -1.416 539 HG13 VAL 69 3HG1 VAL 69 15.308 -1.290 -1.296 540 HG21 VAL 69 1HG2 VAL 69 12.009 -2.663 -2.097 541 HG22 VAL 69 2HG2 VAL 69 12.748 -2.535 -0.501 542 HG23 VAL 69 3HG2 VAL 69 13.716 -3.049 -1.882 543 H HIS 70 H HIS 70 12.109 1.150 -3.692 544 HA HIS 70 HA HIS 70 13.799 3.324 -3.178 545 HB2 HIS 70 1HB HIS 70 13.028 2.330 -5.402 546 HB3 HIS 70 2HB HIS 70 11.561 3.275 -5.204 547 HD1 HIS 70 HD1 HIS 70 13.312 3.744 -7.618 548 HD2 HIS 70 HD2 HIS 70 13.759 5.858 -4.067 549 HE1 HIS 70 HE1 HIS 70 14.467 5.884 -8.246 550 HE2 HIS 70 HE2 HIS 70 14.876 7.070 -6.061 551 H GLN 71 H GLN 71 10.448 2.803 -2.538 552 HA GLN 71 HA GLN 71 9.876 5.621 -2.056 553 HB2 GLN 71 1HB GLN 71 8.341 3.701 -3.081 554 HB3 GLN 71 2HB GLN 71 7.950 3.455 -1.385 555 HG2 GLN 71 1HG GLN 71 6.303 4.889 -2.281 556 HG3 GLN 71 2HG GLN 71 7.349 5.872 -1.256 557 HE21 GLN 71 1HE2 GLN 71 8.307 4.768 -4.426 558 HE22 GLN 71 2HE2 GLN 71 8.266 6.316 -5.188 559 H LEU 72 H LEU 72 9.550 2.583 -0.251 560 HA LEU 72 HA LEU 72 8.861 3.845 2.158 561 HB2 LEU 72 1HB LEU 72 9.755 1.034 1.572 562 HB3 LEU 72 2HB LEU 72 9.241 1.566 3.161 563 HG LEU 72 HG LEU 72 7.515 1.692 0.691 564 HD11 LEU 72 1HD1 LEU 72 8.002 -0.624 1.287 565 HD12 LEU 72 2HD1 LEU 72 6.325 -0.222 1.659 566 HD13 LEU 72 3HD1 LEU 72 7.521 -0.306 2.952 567 HD21 LEU 72 1HD2 LEU 72 6.941 2.159 3.613 568 HD22 LEU 72 2HD2 LEU 72 5.699 1.968 2.376 569 HD23 LEU 72 3HD2 LEU 72 6.821 3.329 2.293 570 H ALA 73 H ALA 73 11.953 2.535 1.023 571 HA ALA 73 HA ALA 73 13.274 2.746 3.524 572 HB1 ALA 73 1HB ALA 73 15.279 2.237 2.307 573 HB2 ALA 73 2HB ALA 73 14.484 2.617 0.778 574 HB3 ALA 73 3HB ALA 73 13.953 1.227 1.727 575 H HIS 74 H HIS 74 11.978 5.212 2.818 576 HA HIS 74 HA HIS 74 13.980 7.140 2.100 577 HB2 HIS 74 1HB HIS 74 11.547 7.491 1.660 578 HB3 HIS 74 2HB HIS 74 11.265 7.564 3.397 579 HD1 HIS 74 HD1 HIS 74 11.042 9.879 4.215 580 HD2 HIS 74 HD2 HIS 74 13.573 9.649 0.916 581 HE1 HIS 74 HE1 HIS 74 11.758 12.242 3.738 582 HE2 HIS 74 HE2 HIS 74 13.317 12.077 1.767 583 H GLY 75 H GLY 75 15.643 6.647 3.587 584 HA2 GLY 75 1HA GLY 75 16.760 7.659 5.432 585 HA3 GLY 75 2HA GLY 75 15.205 7.868 6.223 586 H ARG 76 H ARG 76 16.122 4.852 4.718 587 HA ARG 76 HA ARG 76 17.054 3.693 7.199 588 HB2 ARG 76 1HB ARG 76 14.344 3.200 6.142 589 HB3 ARG 76 2HB ARG 76 15.242 1.763 6.609 590 HG2 ARG 76 1HG ARG 76 15.666 2.944 8.819 591 HG3 ARG 76 2HG ARG 76 14.417 4.087 8.319 592 HD2 ARG 76 1HD ARG 76 13.493 2.316 9.728 593 HD3 ARG 76 2HD ARG 76 12.829 2.252 8.100 594 HE ARG 76 HE ARG 76 15.110 0.542 8.627 595 HH11 ARG 76 1HH1 ARG 76 11.623 0.785 8.491 596 HH12 ARG 76 2HH1 ARG 76 11.393 -0.911 8.196 597 HH21 ARG 76 1HH2 ARG 76 14.793 -1.702 8.265 598 HH22 ARG 76 2HH2 ARG 76 13.167 -2.309 8.044 599 H ASP 77 H ASP 77 17.613 1.324 6.865 600 HA ASP 77 HA ASP 77 19.279 1.039 4.607 601 HB2 ASP 77 1HB ASP 77 18.282 -1.095 6.499 602 HB3 ASP 77 2HB ASP 77 19.616 -1.277 5.370 603 H ALA 78 H ALA 78 18.500 0.944 2.657 604 HA ALA 78 HA ALA 78 15.981 0.136 1.827 605 HB1 ALA 78 1HB ALA 78 18.533 0.106 0.238 606 HB2 ALA 78 2HB ALA 78 17.518 1.519 0.522 607 HB3 ALA 78 3HB ALA 78 16.895 0.159 -0.412 608 H GLU 79 H GLU 79 18.930 -1.751 2.176 609 HA GLU 79 HA GLU 79 18.057 -4.046 0.780 610 HB2 GLU 79 1HB GLU 79 20.101 -3.741 2.978 611 HB3 GLU 79 2HB GLU 79 19.851 -5.227 2.070 612 HG2 GLU 79 1HG GLU 79 20.358 -3.955 -0.010 613 HG3 GLU 79 2HG GLU 79 20.783 -2.575 0.998 614 H GLU 80 H GLU 80 17.823 -3.088 4.162 615 HA GLU 80 HA GLU 80 16.611 -5.487 5.083 616 HB2 GLU 80 1HB GLU 80 17.729 -3.955 6.602 617 HB3 GLU 80 2HB GLU 80 16.584 -2.686 6.197 618 HG2 GLU 80 1HG GLU 80 14.802 -3.876 7.239 619 HG3 GLU 80 2HG GLU 80 15.826 -5.278 7.497 620 H VAL 81 H VAL 81 15.381 -2.345 4.031 621 HA VAL 81 HA VAL 81 12.663 -2.730 4.448 622 HB VAL 81 HB VAL 81 14.061 -1.140 2.300 623 HG11 VAL 81 1HG1 VAL 81 11.767 -1.532 1.613 624 HG12 VAL 81 2HG1 VAL 81 11.960 0.144 2.136 625 HG13 VAL 81 3HG1 VAL 81 11.185 -1.034 3.201 626 HG21 VAL 81 1HG2 VAL 81 12.993 -0.445 5.016 627 HG22 VAL 81 2HG2 VAL 81 13.533 0.739 3.826 628 HG23 VAL 81 3HG2 VAL 81 14.674 -0.430 4.483 629 H ARG 82 H ARG 82 14.628 -3.523 1.579 630 HA ARG 82 HA ARG 82 12.687 -4.581 -0.080 631 HB2 ARG 82 1HB ARG 82 15.124 -4.257 -0.598 632 HB3 ARG 82 2HB ARG 82 15.448 -5.733 0.296 633 HG2 ARG 82 1HG ARG 82 13.916 -6.926 -1.263 634 HG3 ARG 82 2HG ARG 82 13.833 -5.443 -2.211 635 HD2 ARG 82 1HD ARG 82 16.267 -5.498 -2.477 636 HD3 ARG 82 2HD ARG 82 16.324 -7.010 -1.578 637 HE ARG 82 HE ARG 82 14.588 -7.133 -3.855 638 HH11 ARG 82 1HH1 ARG 82 17.924 -7.372 -2.817 639 HH12 ARG 82 2HH1 ARG 82 18.398 -8.388 -4.140 640 HH21 ARG 82 1HH2 ARG 82 15.206 -8.467 -5.607 641 HH22 ARG 82 2HH2 ARG 82 16.849 -9.022 -5.723 642 H THR 83 H THR 83 14.441 -6.123 2.553 643 HA THR 83 HA THR 83 13.467 -8.728 2.199 644 HB THR 83 HB THR 83 14.657 -7.237 4.515 645 HG1 THR 83 HG1 THR 83 16.379 -7.976 3.580 646 HG21 THR 83 1HG2 THR 83 13.120 -8.795 5.562 647 HG22 THR 83 2HG2 THR 83 14.775 -9.369 5.764 648 HG23 THR 83 3HG2 THR 83 13.726 -10.110 4.556 649 H GLU 84 H GLU 84 12.440 -6.199 4.509 650 HA GLU 84 HA GLU 84 10.320 -7.565 5.663 651 HB2 GLU 84 1HB GLU 84 10.468 -4.586 5.202 652 HB3 GLU 84 2HB GLU 84 9.517 -5.418 6.425 653 HG2 GLU 84 1HG GLU 84 11.691 -6.295 7.337 654 HG3 GLU 84 2HG GLU 84 12.499 -5.153 6.265 655 H VAL 85 H VAL 85 10.301 -5.446 2.801 656 HA VAL 85 HA VAL 85 7.567 -5.553 2.250 657 HB VAL 85 HB VAL 85 9.962 -5.247 0.447 658 HG11 VAL 85 1HG1 VAL 85 7.047 -5.128 -0.308 659 HG12 VAL 85 2HG1 VAL 85 8.250 -6.274 -0.903 660 HG13 VAL 85 3HG1 VAL 85 8.375 -4.564 -1.325 661 HG21 VAL 85 1HG2 VAL 85 9.493 -3.412 1.965 662 HG22 VAL 85 2HG2 VAL 85 7.831 -3.332 1.379 663 HG23 VAL 85 3HG2 VAL 85 9.169 -2.938 0.298 664 H LEU 86 H LEU 86 10.193 -7.651 1.047 665 HA LEU 86 HA LEU 86 8.686 -9.327 -0.562 666 HB2 LEU 86 1HB LEU 86 11.212 -9.830 0.999 667 HB3 LEU 86 2HB LEU 86 10.512 -11.023 -0.090 668 HG LEU 86 HG LEU 86 11.257 -8.258 -0.996 669 HD11 LEU 86 1HD1 LEU 86 13.342 -9.201 -1.815 670 HD12 LEU 86 2HD1 LEU 86 12.934 -10.761 -1.100 671 HD13 LEU 86 3HD1 LEU 86 13.235 -9.366 -0.062 672 HD21 LEU 86 1HD2 LEU 86 9.722 -9.433 -2.437 673 HD22 LEU 86 2HD2 LEU 86 10.751 -10.864 -2.416 674 HD23 LEU 86 3HD2 LEU 86 11.314 -9.383 -3.193 675 H LYS 87 H LYS 87 9.114 -9.348 2.901 676 HA LYS 87 HA LYS 87 8.037 -11.982 3.295 677 HB2 LYS 87 1HB LYS 87 8.614 -9.700 5.186 678 HB3 LYS 87 2HB LYS 87 7.970 -11.249 5.716 679 HG2 LYS 87 1HG LYS 87 9.920 -12.403 5.019 680 HG3 LYS 87 2HG LYS 87 10.536 -10.975 4.170 681 HD2 LYS 87 1HD LYS 87 11.708 -11.306 6.273 682 HD3 LYS 87 2HD LYS 87 10.764 -9.819 6.324 683 HE2 LYS 87 1HE LYS 87 8.992 -11.026 7.545 684 HE3 LYS 87 2HE LYS 87 10.008 -12.466 7.549 685 HZ1 LYS 87 1HZ LYS 87 10.183 -11.239 9.625 686 HZ2 LYS 87 2HZ LYS 87 10.709 -9.863 8.792 687 HZ3 LYS 87 3HZ LYS 87 11.666 -11.256 8.812 688 H CYS 88 H CYS 88 6.671 -9.065 2.483 689 HA CYS 88 HA CYS 88 4.050 -9.907 3.515 690 HB2 CYS 88 1HB CYS 88 5.223 -7.213 2.973 691 HB3 CYS 88 2HB CYS 88 3.466 -7.436 2.822 692 H VAL 89 H VAL 89 5.977 -9.650 0.751 693 HA VAL 89 HA VAL 89 3.938 -9.262 -1.194 694 HB VAL 89 HB VAL 89 6.680 -10.502 -1.450 695 HG11 VAL 89 1HG1 VAL 89 5.269 -11.320 -3.227 696 HG12 VAL 89 2HG1 VAL 89 6.382 -10.119 -3.879 697 HG13 VAL 89 3HG1 VAL 89 4.701 -9.688 -3.565 698 HG21 VAL 89 1HG2 VAL 89 6.796 -8.177 -0.839 699 HG22 VAL 89 2HG2 VAL 89 5.633 -7.751 -2.094 700 HG23 VAL 89 3HG2 VAL 89 7.235 -8.346 -2.538 701 H ASP 90 H ASP 90 2.281 -10.592 -1.197 702 HA ASP 90 HA ASP 90 2.720 -13.453 -0.762 703 HB2 ASP 90 1HB ASP 90 1.046 -11.902 0.579 704 HB3 ASP 90 2HB ASP 90 -0.003 -12.218 -0.805 705 H LYS 91 H LYS 91 0.843 -14.750 -1.943 706 HA LYS 91 HA LYS 91 1.167 -14.150 -4.808 707 HB2 LYS 91 1HB LYS 91 0.197 -16.732 -3.595 708 HB3 LYS 91 2HB LYS 91 0.825 -16.456 -5.214 709 HG2 LYS 91 1HG LYS 91 2.410 -16.318 -2.667 710 HG3 LYS 91 2HG LYS 91 2.436 -17.629 -3.847 711 HD2 LYS 91 1HD LYS 91 3.339 -16.158 -5.531 712 HD3 LYS 91 2HD LYS 91 3.187 -14.775 -4.449 713 HE2 LYS 91 1HE LYS 91 4.811 -15.799 -2.927 714 HE3 LYS 91 2HE LYS 91 4.973 -17.168 -4.026 715 HZ1 LYS 91 1HZ LYS 91 5.613 -14.349 -4.702 716 HZ2 LYS 91 2HZ LYS 91 5.830 -15.692 -5.709 717 HZ3 LYS 91 3HZ LYS 91 6.749 -15.535 -4.297 718 H ASN 92 H ASN 92 -0.634 -14.372 -6.220 719 HA ASN 92 HA ASN 92 -3.022 -13.224 -5.094 720 HB2 ASN 92 1HB ASN 92 -2.039 -12.536 -7.298 721 HB3 ASN 92 2HB ASN 92 -2.527 -14.098 -7.941 722 HD21 ASN 92 1HD2 ASN 92 -3.761 -12.907 -9.479 723 HD22 ASN 92 2HD2 ASN 92 -5.317 -12.280 -9.057 724 H THR 93 H THR 93 -3.132 -15.309 -3.767 725 HA THR 93 HA THR 93 -4.335 -17.600 -4.978 726 HB THR 93 HB THR 93 -4.789 -18.247 -2.592 727 HG1 THR 93 HG1 THR 93 -4.797 -16.611 -1.233 728 HG21 THR 93 1HG2 THR 93 -2.738 -18.938 -3.669 729 HG22 THR 93 2HG2 THR 93 -2.414 -18.513 -1.989 730 HG23 THR 93 3HG2 THR 93 -1.983 -17.393 -3.281 731 H ASP 94 H ASP 94 -5.477 -14.568 -3.866 732 HA ASP 94 HA ASP 94 -8.188 -15.449 -3.386 733 HB2 ASP 94 1HB ASP 94 -7.038 -12.653 -3.565 734 HB3 ASP 94 2HB ASP 94 -8.685 -13.049 -3.061 735 H ASN 95 H ASN 95 -6.335 -14.649 -6.048 736 HA ASN 95 HA ASN 95 -6.723 -14.283 -8.233 737 HB2 ASN 95 1HB ASN 95 -9.382 -15.497 -7.511 738 HB3 ASN 95 2HB ASN 95 -8.891 -15.140 -9.157 739 HD21 ASN 95 1HD2 ASN 95 -9.553 -17.684 -8.011 740 HD22 ASN 95 2HD2 ASN 95 -8.147 -18.689 -8.190 741 H ASN 96 H ASN 96 -7.277 -12.140 -6.342 742 HA ASN 96 HA ASN 96 -8.854 -10.446 -8.106 743 HB2 ASN 96 1HB ASN 96 -10.554 -11.162 -6.587 744 HB3 ASN 96 2HB ASN 96 -9.505 -10.927 -5.192 745 HD21 ASN 96 1HD2 ASN 96 -11.521 -9.407 -7.562 746 HD22 ASN 96 2HD2 ASN 96 -11.598 -7.856 -6.797 747 H ALA 97 H ALA 97 -7.925 -8.518 -8.332 748 HA ALA 97 HA ALA 97 -5.353 -8.117 -7.236 749 HB1 ALA 97 1HB ALA 97 -7.027 -6.183 -8.823 750 HB2 ALA 97 2HB ALA 97 -5.967 -7.419 -9.499 751 HB3 ALA 97 3HB ALA 97 -5.287 -6.091 -8.557 752 H CYS 98 H CYS 98 -8.502 -6.655 -6.463 753 HA CYS 98 HA CYS 98 -7.495 -4.575 -4.825 754 HB2 CYS 98 1HB CYS 98 -10.126 -6.051 -4.533 755 HB3 CYS 98 2HB CYS 98 -9.716 -4.521 -3.771 756 H HIS 99 H HIS 99 -8.325 -7.940 -4.137 757 HA HIS 99 HA HIS 99 -7.841 -7.753 -1.328 758 HB2 HIS 99 1HB HIS 99 -8.137 -10.053 -3.248 759 HB3 HIS 99 2HB HIS 99 -7.679 -10.326 -1.573 760 HD1 HIS 99 HD1 HIS 99 -10.545 -8.953 -3.634 761 HD2 HIS 99 HD2 HIS 99 -9.762 -10.307 0.222 762 HE1 HIS 99 HE1 HIS 99 -12.786 -9.153 -2.519 763 HE2 HIS 99 HE2 HIS 99 -12.294 -9.969 -0.189 764 H TRP 100 H TRP 100 -5.883 -8.384 -4.128 765 HA TRP 100 HA TRP 100 -3.704 -9.595 -2.766 766 HB2 TRP 100 1HB TRP 100 -4.209 -9.789 -5.231 767 HB3 TRP 100 2HB TRP 100 -3.600 -8.145 -5.424 768 HD1 TRP 100 HD1 TRP 100 -1.439 -9.716 -2.940 769 HE1 TRP 100 HE1 TRP 100 0.704 -10.641 -4.017 770 HE3 TRP 100 HE3 TRP 100 -2.852 -9.546 -7.850 771 HZ2 TRP 100 HZ2 TRP 100 1.674 -11.221 -6.600 772 HZ3 TRP 100 HZ3 TRP 100 -1.258 -10.302 -9.560 773 HH2 TRP 100 HH2 TRP 100 0.957 -11.125 -8.954 774 H ALA 101 H ALA 101 -4.202 -6.310 -4.052 775 HA ALA 101 HA ALA 101 -1.748 -5.258 -3.138 776 HB1 ALA 101 1HB ALA 101 -4.318 -3.826 -3.786 777 HB2 ALA 101 2HB ALA 101 -3.030 -4.216 -4.925 778 HB3 ALA 101 3HB ALA 101 -2.734 -3.069 -3.616 779 H PHE 102 H PHE 102 -5.010 -5.223 -1.765 780 HA PHE 102 HA PHE 102 -4.427 -3.516 0.384 781 HB2 PHE 102 1HB PHE 102 -6.704 -3.913 -0.345 782 HB3 PHE 102 2HB PHE 102 -6.592 -5.605 0.132 783 HD1 PHE 102 HD1 PHE 102 -7.214 -6.242 2.304 784 HD2 PHE 102 HD2 PHE 102 -6.406 -2.150 1.462 785 HE1 PHE 102 HE1 PHE 102 -8.011 -5.629 4.545 786 HE2 PHE 102 HE2 PHE 102 -7.201 -1.527 3.705 787 HZ PHE 102 HZ PHE 102 -8.005 -3.266 5.250 788 H ARG 103 H ARG 103 -4.092 -6.956 -0.060 789 HA ARG 103 HA ARG 103 -3.745 -7.635 2.683 790 HB2 ARG 103 1HB ARG 103 -4.434 -9.218 0.877 791 HB3 ARG 103 2HB ARG 103 -2.795 -9.132 0.254 792 HG2 ARG 103 1HG ARG 103 -1.900 -10.168 2.173 793 HG3 ARG 103 2HG ARG 103 -3.422 -10.011 3.044 794 HD2 ARG 103 1HD ARG 103 -2.745 -12.286 1.937 795 HD3 ARG 103 2HD ARG 103 -4.416 -11.726 1.895 796 HE ARG 103 HE ARG 103 -3.664 -10.747 -0.378 797 HH11 ARG 103 1HH1 ARG 103 -2.708 -13.844 0.947 798 HH12 ARG 103 2HH1 ARG 103 -2.397 -14.547 -0.606 799 HH21 ARG 103 1HH2 ARG 103 -3.276 -11.681 -2.413 800 HH22 ARG 103 2HH2 ARG 103 -2.699 -13.314 -2.513 801 H GLY 104 H GLY 104 -1.585 -6.767 0.040 802 HA2 GLY 104 1HA GLY 104 0.870 -7.257 1.376 803 HA3 GLY 104 2HA GLY 104 0.630 -6.137 0.029 804 H PHE 105 H PHE 105 -1.131 -4.350 1.074 805 HA PHE 105 HA PHE 105 0.542 -2.636 2.530 806 HB2 PHE 105 1HB PHE 105 -1.082 -1.687 1.082 807 HB3 PHE 105 2HB PHE 105 -2.391 -2.552 1.872 808 HD1 PHE 105 HD1 PHE 105 0.381 -0.457 3.215 809 HD2 PHE 105 HD2 PHE 105 -3.825 -0.970 2.775 810 HE1 PHE 105 HE1 PHE 105 -0.011 1.527 4.617 811 HE2 PHE 105 HE2 PHE 105 -4.216 1.006 4.180 812 HZ PHE 105 HZ PHE 105 -2.309 2.258 5.105 813 H LYS 106 H LYS 106 -2.239 -4.579 3.482 814 HA LYS 106 HA LYS 106 -2.428 -3.697 6.142 815 HB2 LYS 106 1HB LYS 106 -4.348 -4.746 5.483 816 HB3 LYS 106 2HB LYS 106 -3.504 -5.991 4.571 817 HG2 LYS 106 1HG LYS 106 -2.870 -7.029 6.750 818 HG3 LYS 106 2HG LYS 106 -3.907 -5.838 7.547 819 HD2 LYS 106 1HD LYS 106 -5.846 -6.665 6.363 820 HD3 LYS 106 2HD LYS 106 -4.844 -7.766 5.417 821 HE2 LYS 106 1HE LYS 106 -4.239 -8.959 7.482 822 HE3 LYS 106 2HE LYS 106 -5.278 -7.874 8.402 823 HZ1 LYS 106 1HZ LYS 106 -6.237 -9.627 6.211 824 HZ2 LYS 106 2HZ LYS 106 -7.191 -8.706 7.267 825 HZ3 LYS 106 3HZ LYS 106 -6.311 -10.032 7.851 826 H CYS 107 H CYS 107 -0.625 -6.348 4.673 827 HA CYS 107 HA CYS 107 0.264 -7.552 7.046 828 HB2 CYS 107 1HB CYS 107 0.416 -8.808 5.050 829 HB3 CYS 107 2HB CYS 107 1.322 -7.551 4.217 830 H PHE 108 H PHE 108 1.617 -5.000 5.030 831 HA PHE 108 HA PHE 108 4.144 -4.988 6.366 832 HB2 PHE 108 1HB PHE 108 3.713 -4.398 3.946 833 HB3 PHE 108 2HB PHE 108 3.047 -2.873 4.525 834 HD1 PHE 108 HD1 PHE 108 4.503 -1.167 5.468 835 HD2 PHE 108 HD2 PHE 108 6.068 -4.860 4.036 836 HE1 PHE 108 HE1 PHE 108 6.767 -0.209 5.468 837 HE2 PHE 108 HE2 PHE 108 8.330 -3.906 4.043 838 HZ PHE 108 HZ PHE 108 8.683 -1.578 4.753 839 H GLN 109 H GLN 109 1.335 -2.795 6.319 840 HA GLN 109 HA GLN 109 2.439 -0.802 7.944 841 HB2 GLN 109 1HB GLN 109 0.193 0.032 8.219 842 HB3 GLN 109 2HB GLN 109 0.430 -0.482 6.558 843 HG2 GLN 109 1HG GLN 109 -1.554 -1.467 6.825 844 HG3 GLN 109 2HG GLN 109 -0.633 -2.727 7.652 845 HE21 GLN 109 1HE2 GLN 109 -3.402 -1.930 8.006 846 HE22 GLN 109 2HE2 GLN 109 -3.572 -1.485 9.666 847 H LYS 110 H LYS 110 1.134 -3.890 8.760 848 HA LYS 110 HA LYS 110 0.357 -3.362 11.423 849 HB2 LYS 110 1HB LYS 110 -0.225 -5.376 9.981 850 HB3 LYS 110 2HB LYS 110 1.375 -5.994 10.358 851 HG2 LYS 110 1HG LYS 110 0.736 -5.790 12.784 852 HG3 LYS 110 2HG LYS 110 -0.902 -5.464 12.229 853 HD2 LYS 110 1HD LYS 110 -0.771 -7.635 10.950 854 HD3 LYS 110 2HD LYS 110 0.719 -7.966 11.832 855 HE2 LYS 110 1HE LYS 110 -2.010 -7.504 13.031 856 HE3 LYS 110 2HE LYS 110 -1.168 -9.046 12.912 857 HZ1 LYS 110 1HZ LYS 110 0.581 -8.112 14.346 858 HZ2 LYS 110 2HZ LYS 110 -0.924 -8.169 15.110 859 HZ3 LYS 110 3HZ LYS 110 -0.335 -6.697 14.525 860 H ASN 111 H ASN 111 3.421 -3.889 9.899 861 HA ASN 111 HA ASN 111 4.701 -4.118 12.545 862 HB2 ASN 111 1HB ASN 111 5.767 -5.121 9.902 863 HB3 ASN 111 2HB ASN 111 6.513 -5.326 11.484 864 HD21 ASN 111 1HD2 ASN 111 5.667 -6.815 12.923 865 HD22 ASN 111 2HD2 ASN 111 4.526 -8.022 12.444 866 H ASN 112 H ASN 112 4.521 -2.351 9.582 867 HA ASN 112 HA ASN 112 6.643 -0.566 10.540 868 HB2 ASN 112 1HB ASN 112 6.526 -1.916 7.854 869 HB3 ASN 112 2HB ASN 112 7.411 -0.404 8.104 870 HD21 ASN 112 1HD2 ASN 112 8.032 -3.395 7.615 871 HD22 ASN 112 2HD2 ASN 112 9.352 -3.685 8.703 872 H LEU 113 H LEU 113 4.279 0.373 10.977 873 HA LEU 113 HA LEU 113 3.166 1.666 8.656 874 HB2 LEU 113 1HB LEU 113 1.633 0.994 10.371 875 HB3 LEU 113 2HB LEU 113 2.491 1.933 11.579 876 HG LEU 113 HG LEU 113 1.856 3.994 10.309 877 HD11 LEU 113 1HD1 LEU 113 1.532 2.918 8.133 878 HD12 LEU 113 2HD1 LEU 113 0.112 3.840 8.632 879 HD13 LEU 113 3HD1 LEU 113 0.115 2.081 8.767 880 HD21 LEU 113 1HD2 LEU 113 -0.432 2.254 11.215 881 HD22 LEU 113 2HD2 LEU 113 -0.453 4.015 11.079 882 HD23 LEU 113 3HD2 LEU 113 0.592 3.230 12.266 883 H SER 114 H SER 114 5.248 2.503 11.332 884 HA SER 114 HA SER 114 5.243 5.307 11.021 885 HB2 SER 114 1HB SER 114 7.596 3.649 11.957 886 HB3 SER 114 2HB SER 114 7.177 5.297 12.426 887 HG SER 114 HG SER 114 5.087 4.068 13.116 888 H LEU 115 H LEU 115 7.033 2.733 9.446 889 HA LEU 115 HA LEU 115 8.857 4.365 8.034 890 HB2 LEU 115 1HB LEU 115 9.210 1.976 8.370 891 HB3 LEU 115 2HB LEU 115 7.804 1.615 7.387 892 HG LEU 115 HG LEU 115 8.942 2.646 5.442 893 HD11 LEU 115 1HD1 LEU 115 10.405 4.192 6.431 894 HD12 LEU 115 2HD1 LEU 115 11.441 2.956 5.713 895 HD13 LEU 115 3HD1 LEU 115 11.138 2.962 7.450 896 HD21 LEU 115 1HD2 LEU 115 10.499 0.439 6.784 897 HD22 LEU 115 2HD2 LEU 115 10.525 0.835 5.066 898 HD23 LEU 115 3HD2 LEU 115 9.045 0.232 5.810 899 H ILE 116 H ILE 116 5.605 3.223 7.382 900 HA ILE 116 HA ILE 116 5.488 3.978 4.667 901 HB ILE 116 HB ILE 116 3.296 3.588 6.710 902 HG12 ILE 116 1HG1 ILE 116 4.249 1.866 4.408 903 HG13 ILE 116 2HG1 ILE 116 4.655 1.606 6.110 904 HG21 ILE 116 1HG2 ILE 116 1.735 3.517 4.830 905 HG22 ILE 116 2HG2 ILE 116 3.039 3.948 3.728 906 HG23 ILE 116 3HG2 ILE 116 2.509 5.098 4.956 907 HD11 ILE 116 1HD1 ILE 116 1.935 1.430 4.841 908 HD12 ILE 116 2HD1 ILE 116 2.238 1.311 6.573 909 HD13 ILE 116 3HD1 ILE 116 2.904 0.102 5.475 910 H LYS 117 H LYS 117 4.705 5.630 7.670 911 HA LYS 117 HA LYS 117 3.689 7.997 6.531 912 HB2 LYS 117 1HB LYS 117 4.949 7.423 9.207 913 HB3 LYS 117 2HB LYS 117 4.290 8.999 8.783 914 HG2 LYS 117 1HG LYS 117 2.091 7.998 8.444 915 HG3 LYS 117 2HG LYS 117 2.735 6.407 8.838 916 HD2 LYS 117 1HD LYS 117 3.280 7.172 11.089 917 HD3 LYS 117 2HD LYS 117 2.693 8.788 10.699 918 HE2 LYS 117 1HE LYS 117 0.446 7.904 10.363 919 HE3 LYS 117 2HE LYS 117 1.026 6.272 10.690 920 HZ1 LYS 117 1HZ LYS 117 1.053 8.536 12.612 921 HZ2 LYS 117 2HZ LYS 117 1.616 6.973 12.927 922 HZ3 LYS 117 3HZ LYS 117 -0.029 7.235 12.632 923 H ALA 118 H ALA 118 6.933 7.111 7.676 924 HA ALA 118 HA ALA 118 8.200 9.558 7.056 925 HB1 ALA 118 1HB ALA 118 10.271 8.318 7.305 926 HB2 ALA 118 2HB ALA 118 9.380 6.796 7.219 927 HB3 ALA 118 3HB ALA 118 9.128 7.890 8.579 928 H SER 119 H SER 119 7.536 6.689 5.192 929 HA SER 119 HA SER 119 9.188 7.002 3.007 930 HB2 SER 119 1HB SER 119 7.783 5.028 3.398 931 HB3 SER 119 2HB SER 119 6.339 5.977 3.062 932 HG SER 119 HG SER 119 8.412 5.785 1.164 933 H ILE 120 H ILE 120 5.971 8.403 3.536 934 HA ILE 120 HA ILE 120 6.150 9.832 0.994 935 HB ILE 120 HB ILE 120 3.803 10.489 1.457 936 HG12 ILE 120 1HG1 ILE 120 3.983 8.613 3.813 937 HG13 ILE 120 2HG1 ILE 120 4.073 10.366 3.963 938 HG21 ILE 120 1HG2 ILE 120 4.222 8.523 0.140 939 HG22 ILE 120 2HG2 ILE 120 2.845 8.220 1.201 940 HG23 ILE 120 3HG2 ILE 120 4.427 7.552 1.597 941 HD11 ILE 120 1HD1 ILE 120 1.845 9.546 4.447 942 HD12 ILE 120 2HD1 ILE 120 1.756 8.811 2.849 943 HD13 ILE 120 3HD1 ILE 120 1.846 10.563 3.011 944 H LYS 121 H LYS 121 7.237 10.402 4.009 945 HA LYS 121 HA LYS 121 6.191 13.073 4.350 946 HB2 LYS 121 1HB LYS 121 6.603 11.504 6.253 947 HB3 LYS 121 2HB LYS 121 8.327 11.659 5.945 948 HG2 LYS 121 1HG LYS 121 7.660 13.098 7.777 949 HG3 LYS 121 2HG LYS 121 8.170 14.075 6.398 950 HD2 LYS 121 1HD LYS 121 5.845 14.449 5.782 951 HD3 LYS 121 2HD LYS 121 5.311 13.428 7.116 952 HE2 LYS 121 1HE LYS 121 6.303 14.982 8.710 953 HE3 LYS 121 2HE LYS 121 6.873 15.993 7.383 954 HZ1 LYS 121 1HZ LYS 121 4.028 15.405 7.993 955 HZ2 LYS 121 2HZ LYS 121 4.588 16.398 6.743 956 HZ3 LYS 121 3HZ LYS 121 4.832 16.847 8.355 957 H LYS 122 H LYS 122 7.036 14.771 3.399 958 HA LYS 122 HA LYS 122 9.892 15.170 3.258 959 HB2 LYS 122 1HB LYS 122 8.630 14.038 1.025 960 HB3 LYS 122 2HB LYS 122 8.778 15.734 0.645 961 HG2 LYS 122 1HG LYS 122 11.082 14.006 1.517 962 HG3 LYS 122 2HG LYS 122 10.677 14.375 -0.160 963 HD2 LYS 122 1HD LYS 122 10.984 16.757 0.284 964 HD3 LYS 122 2HD LYS 122 11.368 16.400 1.967 965 HE2 LYS 122 1HE LYS 122 13.409 16.765 0.740 966 HE3 LYS 122 2HE LYS 122 13.303 15.071 1.208 967 HZ1 LYS 122 1HZ LYS 122 12.612 16.142 -1.471 968 HZ2 LYS 122 2HZ LYS 122 12.585 14.516 -1.014 969 HZ3 LYS 122 3HZ LYS 122 14.052 15.350 -1.081 970 H ASP 123 H ASP 123 10.370 17.249 3.424 971 HA ASP 123 HA ASP 123 8.239 19.153 3.737 972 HB2 ASP 123 1HB ASP 123 10.157 19.267 5.223 973 HB3 ASP 123 2HB ASP 123 11.242 19.471 3.853 974 H21 ACD 201 H21 ACD 1 -4.846 5.192 1.545 975 H22 ACD 201 H22 ACD 1 -3.738 5.265 2.923 976 H31 ACD 201 H31 ACD 1 -2.153 6.620 1.539 977 H32 ACD 201 H32 ACD 1 -3.242 6.473 0.162 978 H41 ACD 201 H41 ACD 1 -2.998 3.958 0.311 979 H42 ACD 201 H42 ACD 1 -1.486 4.797 -0.067 980 H5 ACD 201 H5 ACD 1 -2.162 3.386 2.569 981 H6 ACD 201 H6 ACD 1 0.150 3.824 3.016 982 H71 ACD 201 H71 ACD 1 0.663 4.741 0.327 983 H72 ACD 201 H72 ACD 1 -0.189 6.095 1.066 984 H8 ACD 201 H8 ACD 1 1.666 6.376 2.755 985 H9 ACD 201 H9 ACD 1 3.766 5.482 2.063 986 H101 ACD 201 H101 ACD 1 2.651 4.705 -0.506 987 H102 ACD 201 H102 ACD 1 2.220 3.390 0.590 988 H11 ACD 201 H11 ACD 1 5.172 4.309 0.393 989 H12 ACD 201 H12 ACD 1 5.514 1.977 0.103 990 H131 ACD 201 H131 ACD 1 2.519 1.950 -0.502 991 H132 ACD 201 H132 ACD 1 3.636 0.589 -0.628 992 H14 ACD 201 H14 ACD 1 2.578 1.643 2.095 993 H15 ACD 201 H15 ACD 1 2.527 -0.696 2.552 994 H161 ACD 201 H161 ACD 1 2.654 -1.378 -0.262 995 H162 ACD 201 H162 ACD 1 4.320 -0.976 0.163 996 H171 ACD 201 H171 ACD 1 4.389 -2.675 1.881 997 H172 ACD 201 H172 ACD 1 2.653 -2.952 1.760 998 H181 ACD 201 H181 ACD 1 4.651 -3.484 -0.475 999 H182 ACD 201 H182 ACD 1 2.918 -3.817 -0.536 1000 H191 ACD 201 H191 ACD 1 4.943 -5.094 1.358 1001 H192 ACD 201 H192 ACD 1 3.198 -5.359 1.454 1002 H201 ACD 201 H201 ACD 1 4.936 -6.004 -0.938 1003 H202 ACD 201 H202 ACD 1 3.227 -6.269 -0.836 1004 H203 ACD 201 H203 ACD 1 4.304 -7.150 0.195 Start of MODEL 13 1 H1 MET 1 1H MET 1 14.361 7.807 -15.239 2 H2 MET 1 2H MET 1 14.730 8.478 -16.745 3 H3 MET 1 3H MET 1 14.097 9.453 -15.515 4 HA MET 1 HA MET 1 16.721 8.087 -15.456 5 HB2 MET 1 1HB MET 1 16.008 11.002 -15.834 6 HB3 MET 1 2HB MET 1 17.634 10.417 -15.518 7 HG2 MET 1 1HG MET 1 17.479 10.795 -17.839 8 HG3 MET 1 2HG MET 1 17.448 9.049 -17.607 9 HE1 MET 1 1HE MET 1 14.625 11.814 -17.219 10 HE2 MET 1 2HE MET 1 13.836 11.663 -18.788 11 HE3 MET 1 3HE MET 1 15.502 12.233 -18.691 12 H GLU 2 H GLU 2 15.077 10.885 -13.986 13 HA GLU 2 HA GLU 2 16.257 10.224 -11.418 14 HB2 GLU 2 1HB GLU 2 14.441 12.506 -12.180 15 HB3 GLU 2 2HB GLU 2 15.318 12.336 -10.667 16 HG2 GLU 2 1HG GLU 2 16.583 12.598 -13.376 17 HG3 GLU 2 2HG GLU 2 16.373 13.913 -12.224 18 H PHE 3 H PHE 3 15.258 9.002 -9.988 19 HA PHE 3 HA PHE 3 12.653 7.987 -10.433 20 HB2 PHE 3 1HB PHE 3 14.289 6.662 -9.240 21 HB3 PHE 3 2HB PHE 3 14.390 7.875 -7.957 22 HD1 PHE 3 HD1 PHE 3 12.033 5.541 -9.620 23 HD2 PHE 3 HD2 PHE 3 13.022 7.713 -6.108 24 HE1 PHE 3 HE1 PHE 3 10.226 4.386 -8.406 25 HE2 PHE 3 HE2 PHE 3 11.217 6.570 -4.881 26 HZ PHE 3 HZ PHE 3 9.817 4.901 -6.031 27 H THR 4 H THR 4 10.764 8.790 -9.951 28 HA THR 4 HA THR 4 10.624 11.206 -8.299 29 HB THR 4 HB THR 4 8.160 10.336 -9.628 30 HG1 THR 4 HG1 THR 4 10.552 10.829 -11.097 31 HG21 THR 4 1HG2 THR 4 9.779 12.873 -9.681 32 HG22 THR 4 2HG2 THR 4 8.431 12.515 -8.603 33 HG23 THR 4 3HG2 THR 4 8.155 12.676 -10.335 34 H VAL 5 H VAL 5 10.182 10.915 -6.262 35 HA VAL 5 HA VAL 5 8.721 8.553 -5.358 36 HB VAL 5 HB VAL 5 9.549 8.911 -3.266 37 HG11 VAL 5 1HG1 VAL 5 11.785 9.850 -3.280 38 HG12 VAL 5 2HG1 VAL 5 11.470 10.581 -4.853 39 HG13 VAL 5 3HG1 VAL 5 11.481 8.827 -4.680 40 HG21 VAL 5 1HG2 VAL 5 9.520 11.892 -3.727 41 HG22 VAL 5 2HG2 VAL 5 9.983 11.090 -2.227 42 HG23 VAL 5 3HG2 VAL 5 8.327 10.963 -2.819 43 H SER 6 H SER 6 6.795 8.610 -4.233 44 HA SER 6 HA SER 6 5.082 10.851 -4.981 45 HB2 SER 6 1HB SER 6 4.312 8.214 -3.701 46 HB3 SER 6 2HB SER 6 3.222 9.385 -4.443 47 HG SER 6 HG SER 6 4.911 7.520 -5.621 48 H THR 7 H THR 7 5.154 12.506 -3.562 49 HA THR 7 HA THR 7 5.710 12.076 -0.770 50 HB THR 7 HB THR 7 5.504 14.523 -0.553 51 HG1 THR 7 HG1 THR 7 4.661 14.313 -3.273 52 HG21 THR 7 1HG2 THR 7 7.115 13.713 -2.974 53 HG22 THR 7 2HG2 THR 7 7.630 13.520 -1.300 54 HG23 THR 7 3HG2 THR 7 7.385 15.133 -1.965 55 H THR 8 H THR 8 4.294 13.462 0.805 56 HA THR 8 HA THR 8 1.836 12.277 1.161 57 HB THR 8 HB THR 8 2.667 15.023 2.102 58 HG1 THR 8 HG1 THR 8 4.153 13.745 3.006 59 HG21 THR 8 1HG2 THR 8 0.577 13.099 3.110 60 HG22 THR 8 2HG2 THR 8 0.304 14.694 2.403 61 HG23 THR 8 3HG2 THR 8 1.101 14.548 3.970 62 H GLU 9 H GLU 9 2.516 15.414 -0.355 63 HA GLU 9 HA GLU 9 -0.156 16.124 -0.801 64 HB2 GLU 9 1HB GLU 9 1.789 17.687 -0.924 65 HB3 GLU 9 2HB GLU 9 2.216 16.966 -2.469 66 HG2 GLU 9 1HG GLU 9 0.081 17.675 -3.397 67 HG3 GLU 9 2HG GLU 9 -0.361 18.383 -1.846 68 H ASP 10 H ASP 10 2.176 14.374 -2.819 69 HA ASP 10 HA ASP 10 0.527 14.111 -5.100 70 HB2 ASP 10 1HB ASP 10 2.637 12.157 -4.152 71 HB3 ASP 10 2HB ASP 10 1.946 12.253 -5.767 72 H LEU 11 H LEU 11 0.896 12.214 -2.171 73 HA LEU 11 HA LEU 11 -0.683 10.038 -2.956 74 HB2 LEU 11 1HB LEU 11 0.831 9.853 -1.101 75 HB3 LEU 11 2HB LEU 11 -0.056 11.086 -0.196 76 HG LEU 11 HG LEU 11 -2.011 9.546 -0.166 77 HD11 LEU 11 1HD1 LEU 11 -1.440 8.264 -2.161 78 HD12 LEU 11 2HD1 LEU 11 -1.695 7.223 -0.765 79 HD13 LEU 11 3HD1 LEU 11 -0.055 7.571 -1.316 80 HD21 LEU 11 1HD2 LEU 11 -0.408 9.685 1.706 81 HD22 LEU 11 2HD2 LEU 11 0.509 8.361 0.984 82 HD23 LEU 11 3HD2 LEU 11 -1.139 8.087 1.548 83 H GLN 12 H GLN 12 -1.473 13.108 -1.447 84 HA GLN 12 HA GLN 12 -4.174 12.424 -0.856 85 HB2 GLN 12 1HB GLN 12 -2.811 15.106 -1.110 86 HB3 GLN 12 2HB GLN 12 -4.471 14.894 -0.570 87 HG2 GLN 12 1HG GLN 12 -3.686 13.576 1.331 88 HG3 GLN 12 2HG GLN 12 -2.024 13.784 0.786 89 HE21 GLN 12 1HE2 GLN 12 -4.775 15.299 2.237 90 HE22 GLN 12 2HE2 GLN 12 -3.956 16.713 2.808 91 H ARG 13 H ARG 13 -2.506 13.508 -3.638 92 HA ARG 13 HA ARG 13 -4.718 14.469 -5.138 93 HB2 ARG 13 1HB ARG 13 -2.336 14.964 -5.639 94 HB3 ARG 13 2HB ARG 13 -2.116 13.288 -6.114 95 HG2 ARG 13 1HG ARG 13 -3.799 13.616 -7.899 96 HG3 ARG 13 2HG ARG 13 -3.875 15.331 -7.448 97 HD2 ARG 13 1HD ARG 13 -1.540 13.797 -8.564 98 HD3 ARG 13 2HD ARG 13 -2.364 15.185 -9.271 99 HE ARG 13 HE ARG 13 -1.445 16.479 -7.339 100 HH11 ARG 13 1HH1 ARG 13 0.172 13.606 -8.529 101 HH12 ARG 13 2HH1 ARG 13 1.709 14.034 -7.843 102 HH21 ARG 13 1HH2 ARG 13 0.594 17.043 -6.450 103 HH22 ARG 13 2HH2 ARG 13 1.946 15.966 -6.654 104 H TYR 14 H TYR 14 -2.924 11.389 -5.163 105 HA TYR 14 HA TYR 14 -4.602 10.064 -6.993 106 HB2 TYR 14 1HB TYR 14 -2.940 8.797 -4.805 107 HB3 TYR 14 2HB TYR 14 -3.554 8.007 -6.249 108 HD1 TYR 14 HD1 TYR 14 -0.623 9.030 -4.930 109 HD2 TYR 14 HD2 TYR 14 -2.939 9.654 -8.440 110 HE1 TYR 14 HE1 TYR 14 1.415 9.650 -6.156 111 HE2 TYR 14 HE2 TYR 14 -0.907 10.262 -9.682 112 HH TYR 14 HH TYR 14 1.305 11.041 -9.317 113 H ARG 15 H ARG 15 -4.693 10.311 -3.469 114 HA ARG 15 HA ARG 15 -6.655 8.401 -3.005 115 HB2 ARG 15 1HB ARG 15 -5.932 8.988 -0.965 116 HB3 ARG 15 2HB ARG 15 -5.442 10.587 -1.490 117 HG2 ARG 15 1HG ARG 15 -7.830 11.305 -1.283 118 HG3 ARG 15 2HG ARG 15 -8.209 9.701 -0.652 119 HD2 ARG 15 1HD ARG 15 -6.356 11.738 0.601 120 HD3 ARG 15 2HD ARG 15 -7.950 11.268 1.183 121 HE ARG 15 HE ARG 15 -6.457 8.942 1.093 122 HH11 ARG 15 1HH1 ARG 15 -6.281 12.037 2.738 123 HH12 ARG 15 2HH1 ARG 15 -5.456 11.394 4.122 124 HH21 ARG 15 1HH2 ARG 15 -5.352 8.099 2.927 125 HH22 ARG 15 2HH2 ARG 15 -4.951 9.176 4.235 126 H THR 16 H THR 16 -6.891 11.816 -3.787 127 HA THR 16 HA THR 16 -9.647 12.151 -3.505 128 HB THR 16 HB THR 16 -7.609 13.566 -5.215 129 HG1 THR 16 HG1 THR 16 -7.198 14.041 -3.138 130 HG21 THR 16 1HG2 THR 16 -9.249 15.368 -5.474 131 HG22 THR 16 2HG2 THR 16 -10.461 14.382 -4.656 132 HG23 THR 16 3HG2 THR 16 -9.814 13.869 -6.217 133 H GLU 17 H GLU 17 -7.696 11.442 -6.398 134 HA GLU 17 HA GLU 17 -9.914 11.399 -8.141 135 HB2 GLU 17 1HB GLU 17 -8.149 11.644 -9.511 136 HB3 GLU 17 2HB GLU 17 -7.042 10.928 -8.352 137 HG2 GLU 17 1HG GLU 17 -7.556 8.724 -9.154 138 HG3 GLU 17 2HG GLU 17 -8.868 9.356 -10.153 139 H CYS 18 H CYS 18 -8.205 8.820 -6.414 140 HA CYS 18 HA CYS 18 -9.637 6.673 -7.551 141 HB2 CYS 18 1HB CYS 18 -8.208 6.891 -4.897 142 HB3 CYS 18 2HB CYS 18 -8.912 5.394 -5.524 143 H VAL 19 H VAL 19 -10.318 8.815 -4.863 144 HA VAL 19 HA VAL 19 -12.475 7.354 -3.790 145 HB VAL 19 HB VAL 19 -11.581 10.197 -3.545 146 HG11 VAL 19 1HG1 VAL 19 -14.017 10.334 -3.684 147 HG12 VAL 19 2HG1 VAL 19 -13.435 10.703 -2.059 148 HG13 VAL 19 3HG1 VAL 19 -14.157 9.130 -2.400 149 HG21 VAL 19 1HG2 VAL 19 -11.482 9.553 -1.155 150 HG22 VAL 19 2HG2 VAL 19 -10.466 8.551 -2.192 151 HG23 VAL 19 3HG2 VAL 19 -12.010 7.931 -1.608 152 H SER 20 H SER 20 -12.409 10.160 -5.954 153 HA SER 20 HA SER 20 -15.193 10.240 -6.381 154 HB2 SER 20 1HB SER 20 -13.611 12.118 -6.767 155 HB3 SER 20 2HB SER 20 -12.986 11.271 -8.179 156 HG SER 20 HG SER 20 -15.178 11.349 -9.011 157 H SER 21 H SER 21 -12.736 8.209 -7.740 158 HA SER 21 HA SER 21 -14.283 7.587 -10.119 159 HB2 SER 21 1HB SER 21 -11.783 7.754 -10.135 160 HB3 SER 21 2HB SER 21 -11.727 6.313 -9.125 161 HG SER 21 HG SER 21 -11.987 6.503 -11.784 162 H LEU 22 H LEU 22 -13.175 5.876 -7.173 163 HA LEU 22 HA LEU 22 -14.667 3.518 -7.926 164 HB2 LEU 22 1HB LEU 22 -12.957 4.218 -5.550 165 HB3 LEU 22 2HB LEU 22 -13.830 2.687 -5.675 166 HG LEU 22 HG LEU 22 -11.828 3.618 -7.724 167 HD11 LEU 22 1HD1 LEU 22 -10.270 2.042 -6.659 168 HD12 LEU 22 2HD1 LEU 22 -11.441 1.783 -5.363 169 HD13 LEU 22 3HD1 LEU 22 -10.704 3.370 -5.582 170 HD21 LEU 22 1HD2 LEU 22 -13.008 0.911 -7.127 171 HD22 LEU 22 2HD2 LEU 22 -11.863 1.298 -8.413 172 HD23 LEU 22 3HD2 LEU 22 -13.493 1.968 -8.455 173 H ASN 23 H ASN 23 -15.796 6.284 -6.967 174 HA ASN 23 HA ASN 23 -17.657 7.050 -5.903 175 HB2 ASN 23 1HB ASN 23 -18.493 4.149 -5.992 176 HB3 ASN 23 2HB ASN 23 -19.550 5.518 -5.711 177 HD21 ASN 23 1HD2 ASN 23 -20.086 6.874 -7.418 178 HD22 ASN 23 2HD2 ASN 23 -19.814 6.419 -9.068 179 H ILE 24 H ILE 24 -15.407 6.329 -4.267 180 HA ILE 24 HA ILE 24 -16.142 4.873 -1.974 181 HB ILE 24 HB ILE 24 -14.082 7.075 -2.127 182 HG12 ILE 24 1HG1 ILE 24 -13.737 5.408 -3.933 183 HG13 ILE 24 2HG1 ILE 24 -12.451 5.358 -2.729 184 HG21 ILE 24 1HG2 ILE 24 -12.988 5.804 -0.326 185 HG22 ILE 24 2HG2 ILE 24 -14.350 4.681 -0.311 186 HG23 ILE 24 3HG2 ILE 24 -14.594 6.371 0.130 187 HD11 ILE 24 1HD1 ILE 24 -14.760 3.440 -2.941 188 HD12 ILE 24 2HD1 ILE 24 -13.481 3.381 -1.727 189 HD13 ILE 24 3HD1 ILE 24 -13.094 3.130 -3.431 190 HA PRO 25 HA PRO 25 -18.964 7.867 -0.177 191 HB2 PRO 25 1HB PRO 25 -18.572 6.186 2.212 192 HB3 PRO 25 2HB PRO 25 -20.060 6.621 1.368 193 HG2 PRO 25 1HG PRO 25 -19.022 4.157 1.227 194 HG3 PRO 25 2HG PRO 25 -19.874 4.908 -0.134 195 HD2 PRO 25 1HD PRO 25 -16.939 4.516 0.287 196 HD3 PRO 25 2HD PRO 25 -17.891 4.443 -1.217 197 H ALA 26 H ALA 26 -18.699 9.629 1.003 198 HA ALA 26 HA ALA 26 -16.188 10.623 1.636 199 HB1 ALA 26 1HB ALA 26 -18.168 11.995 1.212 200 HB2 ALA 26 2HB ALA 26 -17.364 12.449 2.715 201 HB3 ALA 26 3HB ALA 26 -18.843 11.488 2.760 202 H ASP 27 H ASP 27 -18.448 8.844 3.638 203 HA ASP 27 HA ASP 27 -17.374 9.284 6.163 204 HB2 ASP 27 1HB ASP 27 -19.443 8.056 5.821 205 HB3 ASP 27 2HB ASP 27 -18.559 6.733 5.067 206 H TYR 28 H TYR 28 -16.504 6.756 3.804 207 HA TYR 28 HA TYR 28 -14.450 5.598 5.278 208 HB2 TYR 28 1HB TYR 28 -15.070 5.715 2.349 209 HB3 TYR 28 2HB TYR 28 -13.611 4.905 2.921 210 HD1 TYR 28 HD1 TYR 28 -13.746 2.743 3.952 211 HD2 TYR 28 HD2 TYR 28 -17.299 4.900 3.048 212 HE1 TYR 28 HE1 TYR 28 -15.080 0.733 4.419 213 HE2 TYR 28 HE2 TYR 28 -18.642 2.897 3.506 214 HH TYR 28 HH TYR 28 -18.252 0.376 3.483 215 H VAL 29 H VAL 29 -14.470 8.364 3.122 216 HA VAL 29 HA VAL 29 -11.729 8.777 2.828 217 HB VAL 29 HB VAL 29 -13.916 10.847 2.949 218 HG11 VAL 29 1HG1 VAL 29 -11.760 11.897 3.212 219 HG12 VAL 29 2HG1 VAL 29 -12.349 12.198 1.577 220 HG13 VAL 29 3HG1 VAL 29 -11.110 10.973 1.858 221 HG21 VAL 29 1HG2 VAL 29 -12.725 9.318 0.646 222 HG22 VAL 29 2HG2 VAL 29 -13.854 10.665 0.490 223 HG23 VAL 29 3HG2 VAL 29 -14.366 9.171 1.276 224 H GLU 30 H GLU 30 -13.954 9.945 5.361 225 HA GLU 30 HA GLU 30 -12.090 11.444 6.848 226 HB2 GLU 30 1HB GLU 30 -14.323 9.887 8.131 227 HB3 GLU 30 2HB GLU 30 -13.618 11.425 8.611 228 HG2 GLU 30 1HG GLU 30 -14.533 12.430 6.548 229 HG3 GLU 30 2HG GLU 30 -15.385 10.920 6.251 230 H LYS 31 H LYS 31 -12.838 8.010 6.838 231 HA LYS 31 HA LYS 31 -11.330 7.276 9.100 232 HB2 LYS 31 1HB LYS 31 -11.890 5.645 6.617 233 HB3 LYS 31 2HB LYS 31 -11.285 5.015 8.153 234 HG2 LYS 31 1HG LYS 31 -13.364 5.762 9.241 235 HG3 LYS 31 2HG LYS 31 -13.971 6.286 7.669 236 HD2 LYS 31 1HD LYS 31 -13.603 3.925 6.860 237 HD3 LYS 31 2HD LYS 31 -13.276 3.485 8.548 238 HE2 LYS 31 1HE LYS 31 -15.817 4.851 7.680 239 HE3 LYS 31 2HE LYS 31 -15.646 3.095 7.731 240 HZ1 LYS 31 1HZ LYS 31 -15.207 4.886 10.059 241 HZ2 LYS 31 2HZ LYS 31 -15.245 3.195 10.071 242 HZ3 LYS 31 3HZ LYS 31 -16.652 4.070 9.743 243 H PHE 32 H PHE 32 -10.499 7.209 5.645 244 HA PHE 32 HA PHE 32 -7.864 6.331 5.926 245 HB2 PHE 32 1HB PHE 32 -8.926 8.115 3.735 246 HB3 PHE 32 2HB PHE 32 -7.532 7.045 3.641 247 HD1 PHE 32 HD1 PHE 32 -10.205 7.220 1.960 248 HD2 PHE 32 HD2 PHE 32 -8.786 4.675 5.061 249 HE1 PHE 32 HE1 PHE 32 -11.660 5.414 1.143 250 HE2 PHE 32 HE2 PHE 32 -10.241 2.868 4.250 251 HZ PHE 32 HZ PHE 32 -11.677 3.232 2.283 252 H LYS 33 H LYS 33 -9.258 9.522 6.109 253 HA LYS 33 HA LYS 33 -6.949 11.097 6.029 254 HB2 LYS 33 1HB LYS 33 -9.453 11.784 6.098 255 HB3 LYS 33 2HB LYS 33 -9.265 11.691 7.848 256 HG2 LYS 33 1HG LYS 33 -7.551 13.367 7.819 257 HG3 LYS 33 2HG LYS 33 -7.563 13.401 6.050 258 HD2 LYS 33 1HD LYS 33 -8.798 15.297 6.921 259 HD3 LYS 33 2HD LYS 33 -9.899 14.187 6.107 260 HE2 LYS 33 1HE LYS 33 -10.910 14.960 8.151 261 HE3 LYS 33 2HE LYS 33 -10.524 13.249 8.305 262 HZ1 LYS 33 1HZ LYS 33 -8.565 13.829 9.575 263 HZ2 LYS 33 2HZ LYS 33 -9.936 14.502 10.293 264 HZ3 LYS 33 3HZ LYS 33 -8.891 15.476 9.394 265 H LYS 34 H LYS 34 -8.286 9.092 8.561 266 HA LYS 34 HA LYS 34 -6.217 10.030 10.421 267 HB2 LYS 34 1HB LYS 34 -8.795 8.532 10.853 268 HB3 LYS 34 2HB LYS 34 -7.569 8.645 12.109 269 HG2 LYS 34 1HG LYS 34 -7.758 11.101 12.020 270 HG3 LYS 34 2HG LYS 34 -9.035 10.935 10.813 271 HD2 LYS 34 1HD LYS 34 -9.116 9.825 13.618 272 HD3 LYS 34 2HD LYS 34 -9.939 11.286 13.073 273 HE2 LYS 34 1HE LYS 34 -11.258 9.965 11.500 274 HE3 LYS 34 2HE LYS 34 -10.420 8.502 12.013 275 HZ1 LYS 34 1HZ LYS 34 -12.579 8.728 13.075 276 HZ2 LYS 34 2HZ LYS 34 -12.115 10.206 13.756 277 HZ3 LYS 34 3HZ LYS 34 -11.334 8.780 14.220 278 H TRP 35 H TRP 35 -6.049 8.095 8.082 279 HA TRP 35 HA TRP 35 -5.109 6.125 7.493 280 HB2 TRP 35 1HB TRP 35 -3.725 6.630 10.117 281 HB3 TRP 35 2HB TRP 35 -3.284 5.293 9.047 282 HD1 TRP 35 HD1 TRP 35 -3.399 9.153 9.069 283 HE1 TRP 35 HE1 TRP 35 -1.626 10.030 7.423 284 HE3 TRP 35 HE3 TRP 35 -1.849 4.698 7.094 285 HZ2 TRP 35 HZ2 TRP 35 0.185 8.975 5.553 286 HZ3 TRP 35 HZ3 TRP 35 -0.092 4.723 5.386 287 HH2 TRP 35 HH2 TRP 35 0.911 6.809 4.626 288 H GLU 36 H GLU 36 -7.620 5.791 8.519 289 HA GLU 36 HA GLU 36 -7.434 3.259 9.998 290 HB2 GLU 36 1HB GLU 36 -9.766 5.144 9.642 291 HB3 GLU 36 2HB GLU 36 -9.855 3.591 10.456 292 HG2 GLU 36 1HG GLU 36 -8.030 5.802 11.322 293 HG3 GLU 36 2HG GLU 36 -9.668 5.605 11.934 294 H PHE 37 H PHE 37 -7.390 1.609 8.624 295 HA PHE 37 HA PHE 37 -9.070 1.762 6.203 296 HB2 PHE 37 1HB PHE 37 -6.567 0.098 6.564 297 HB3 PHE 37 2HB PHE 37 -7.470 0.330 5.072 298 HD1 PHE 37 HD1 PHE 37 -5.259 1.953 7.525 299 HD2 PHE 37 HD2 PHE 37 -7.130 2.260 3.713 300 HE1 PHE 37 HE1 PHE 37 -3.832 3.881 6.984 301 HE2 PHE 37 HE2 PHE 37 -5.709 4.191 3.172 302 HZ PHE 37 HZ PHE 37 -4.057 5.005 4.807 303 HA PRO 38 HA PRO 38 -11.074 -1.662 8.503 304 HB2 PRO 38 1HB PRO 38 -13.135 -1.080 6.465 305 HB3 PRO 38 2HB PRO 38 -13.290 -1.225 8.225 306 HG2 PRO 38 1HG PRO 38 -13.461 1.156 7.048 307 HG3 PRO 38 2HG PRO 38 -12.613 0.962 8.594 308 HD2 PRO 38 1HD PRO 38 -11.451 1.170 5.825 309 HD3 PRO 38 2HD PRO 38 -10.928 1.973 7.338 310 H GLU 39 H GLU 39 -11.220 -3.762 7.926 311 HA GLU 39 HA GLU 39 -10.227 -4.553 5.359 312 HB2 GLU 39 1HB GLU 39 -9.725 -5.797 7.447 313 HB3 GLU 39 2HB GLU 39 -11.414 -6.267 7.543 314 HG2 GLU 39 1HG GLU 39 -11.197 -7.422 5.390 315 HG3 GLU 39 2HG GLU 39 -9.490 -6.983 5.346 316 H ASP 40 H ASP 40 -11.781 -3.584 4.027 317 HA ASP 40 HA ASP 40 -14.194 -5.187 3.673 318 HB2 ASP 40 1HB ASP 40 -15.660 -3.592 4.242 319 HB3 ASP 40 2HB ASP 40 -14.320 -2.645 4.874 320 H ASP 41 H ASP 41 -15.067 -5.066 1.530 321 HA ASP 41 HA ASP 41 -13.103 -5.229 -0.427 322 HB2 ASP 41 1HB ASP 41 -15.333 -6.274 -0.597 323 HB3 ASP 41 2HB ASP 41 -16.045 -4.689 -0.868 324 H THR 42 H THR 42 -15.242 -2.509 0.325 325 HA THR 42 HA THR 42 -14.650 -0.837 -1.823 326 HB THR 42 HB THR 42 -15.282 -0.042 1.020 327 HG1 THR 42 HG1 THR 42 -17.070 -1.070 0.514 328 HG21 THR 42 1HG2 THR 42 -15.543 1.444 -1.591 329 HG22 THR 42 2HG2 THR 42 -14.497 1.859 -0.232 330 HG23 THR 42 3HG2 THR 42 -16.249 1.978 -0.067 331 H THR 43 H THR 43 -13.224 -0.743 1.453 332 HA THR 43 HA THR 43 -11.230 1.133 0.957 333 HB THR 43 HB THR 43 -11.104 -1.219 2.856 334 HG1 THR 43 HG1 THR 43 -12.939 0.031 3.301 335 HG21 THR 43 1HG2 THR 43 -9.613 1.409 2.811 336 HG22 THR 43 2HG2 THR 43 -8.924 -0.201 2.605 337 HG23 THR 43 3HG2 THR 43 -9.599 0.276 4.164 338 H MET 44 H MET 44 -11.311 -2.308 0.311 339 HA MET 44 HA MET 44 -8.546 -2.692 -0.087 340 HB2 MET 44 1HB MET 44 -10.900 -4.241 -1.165 341 HB3 MET 44 2HB MET 44 -9.228 -4.786 -1.234 342 HG2 MET 44 1HG MET 44 -9.120 -4.845 1.178 343 HG3 MET 44 2HG MET 44 -10.748 -4.187 1.290 344 HE1 MET 44 1HE MET 44 -11.598 -6.048 2.850 345 HE2 MET 44 2HE MET 44 -9.964 -6.712 2.892 346 HE3 MET 44 3HE MET 44 -11.339 -7.773 2.576 347 H CYS 45 H CYS 45 -11.195 -2.169 -2.424 348 HA CYS 45 HA CYS 45 -9.480 -2.137 -4.683 349 HB2 CYS 45 1HB CYS 45 -12.250 -0.968 -4.338 350 HB3 CYS 45 2HB CYS 45 -11.400 -1.079 -5.875 351 H TYR 46 H TYR 46 -10.492 0.319 -2.410 352 HA TYR 46 HA TYR 46 -9.631 2.586 -3.798 353 HB2 TYR 46 1HB TYR 46 -10.913 2.985 -1.880 354 HB3 TYR 46 2HB TYR 46 -9.922 1.924 -0.879 355 HD1 TYR 46 HD1 TYR 46 -9.711 5.126 -2.808 356 HD2 TYR 46 HD2 TYR 46 -8.345 2.863 0.533 357 HE1 TYR 46 HE1 TYR 46 -8.447 7.073 -2.004 358 HE2 TYR 46 HE2 TYR 46 -7.073 4.806 1.335 359 HH TYR 46 HH TYR 46 -6.254 6.847 0.742 360 H ILE 47 H ILE 47 -7.922 0.473 -1.517 361 HA ILE 47 HA ILE 47 -5.430 1.733 -1.628 362 HB ILE 47 HB ILE 47 -6.128 -1.148 -1.087 363 HG12 ILE 47 1HG1 ILE 47 -7.027 0.409 0.556 364 HG13 ILE 47 2HG1 ILE 47 -5.705 -0.502 1.278 365 HG21 ILE 47 1HG2 ILE 47 -3.475 0.245 -0.741 366 HG22 ILE 47 2HG2 ILE 47 -3.838 -1.078 -1.849 367 HG23 ILE 47 3HG2 ILE 47 -3.867 -1.353 -0.106 368 HD11 ILE 47 1HD1 ILE 47 -4.225 1.473 0.782 369 HD12 ILE 47 2HD1 ILE 47 -5.483 1.738 1.988 370 HD13 ILE 47 3HD1 ILE 47 -5.692 2.355 0.349 371 H LYS 48 H LYS 48 -6.882 -0.740 -3.671 372 HA LYS 48 HA LYS 48 -4.635 -1.440 -5.172 373 HB2 LYS 48 1HB LYS 48 -6.769 -2.683 -5.229 374 HB3 LYS 48 2HB LYS 48 -7.520 -1.339 -6.070 375 HG2 LYS 48 1HG LYS 48 -5.967 -1.657 -7.950 376 HG3 LYS 48 2HG LYS 48 -5.258 -3.035 -7.103 377 HD2 LYS 48 1HD LYS 48 -7.234 -4.301 -7.292 378 HD3 LYS 48 2HD LYS 48 -8.193 -2.888 -7.730 379 HE2 LYS 48 1HE LYS 48 -5.962 -3.981 -9.434 380 HE3 LYS 48 2HE LYS 48 -7.650 -4.456 -9.621 381 HZ1 LYS 48 1HZ LYS 48 -6.557 -1.709 -9.925 382 HZ2 LYS 48 2HZ LYS 48 -8.193 -2.115 -10.024 383 HZ3 LYS 48 3HZ LYS 48 -7.105 -2.716 -11.168 384 H CYS 49 H CYS 49 -7.169 0.964 -5.873 385 HA CYS 49 HA CYS 49 -6.096 1.896 -8.263 386 HB2 CYS 49 1HB CYS 49 -8.324 2.464 -7.733 387 HB3 CYS 49 2HB CYS 49 -7.863 3.254 -6.226 388 H VAL 50 H VAL 50 -5.598 3.099 -4.950 389 HA VAL 50 HA VAL 50 -4.017 5.296 -5.647 390 HB VAL 50 HB VAL 50 -4.257 3.739 -3.084 391 HG11 VAL 50 1HG1 VAL 50 -3.131 5.634 -1.991 392 HG12 VAL 50 2HG1 VAL 50 -2.776 6.320 -3.576 393 HG13 VAL 50 3HG1 VAL 50 -2.062 4.778 -3.102 394 HG21 VAL 50 1HG2 VAL 50 -5.308 6.402 -3.992 395 HG22 VAL 50 2HG2 VAL 50 -5.505 5.731 -2.372 396 HG23 VAL 50 3HG2 VAL 50 -6.241 4.924 -3.757 397 H PHE 51 H PHE 51 -3.124 2.040 -4.561 398 HA PHE 51 HA PHE 51 -0.353 2.422 -4.578 399 HB2 PHE 51 1HB PHE 51 -2.199 0.112 -4.479 400 HB3 PHE 51 2HB PHE 51 -0.567 -0.234 -5.031 401 HD1 PHE 51 HD1 PHE 51 -1.423 2.361 -2.551 402 HD2 PHE 51 HD2 PHE 51 0.095 -1.565 -3.191 403 HE1 PHE 51 HE1 PHE 51 -0.682 2.266 -0.207 404 HE2 PHE 51 HE2 PHE 51 0.837 -1.664 -0.849 405 HZ PHE 51 HZ PHE 51 0.449 0.254 0.645 406 H ASN 52 H ASN 52 -2.632 1.709 -7.079 407 HA ASN 52 HA ASN 52 -0.683 0.865 -9.021 408 HB2 ASN 52 1HB ASN 52 -3.018 0.059 -9.078 409 HB3 ASN 52 2HB ASN 52 -3.573 1.708 -9.389 410 HD21 ASN 52 1HD2 ASN 52 -0.683 0.244 -10.767 411 HD22 ASN 52 2HD2 ASN 52 -1.257 0.236 -12.397 412 H LYS 53 H LYS 53 -2.419 3.809 -8.223 413 HA LYS 53 HA LYS 53 -1.576 5.297 -10.489 414 HB2 LYS 53 1HB LYS 53 -2.773 6.004 -7.836 415 HB3 LYS 53 2HB LYS 53 -2.237 7.271 -8.931 416 HG2 LYS 53 1HG LYS 53 -4.286 5.145 -9.559 417 HG3 LYS 53 2HG LYS 53 -4.645 6.811 -9.109 418 HD2 LYS 53 1HD LYS 53 -3.498 7.609 -11.114 419 HD3 LYS 53 2HD LYS 53 -3.093 5.947 -11.550 420 HE2 LYS 53 1HE LYS 53 -5.894 7.021 -11.249 421 HE3 LYS 53 2HE LYS 53 -5.049 6.827 -12.784 422 HZ1 LYS 53 1HZ LYS 53 -5.693 4.631 -10.891 423 HZ2 LYS 53 2HZ LYS 53 -4.928 4.457 -12.389 424 HZ3 LYS 53 3HZ LYS 53 -6.534 4.972 -12.315 425 H MET 54 H MET 54 -0.214 4.597 -7.392 426 HA MET 54 HA MET 54 1.867 6.599 -7.616 427 HB2 MET 54 1HB MET 54 1.299 4.431 -5.595 428 HB3 MET 54 2HB MET 54 2.686 5.514 -5.490 429 HG2 MET 54 1HG MET 54 1.311 7.396 -5.180 430 HG3 MET 54 2HG MET 54 -0.135 6.516 -5.657 431 HE1 MET 54 1HE MET 54 2.301 7.501 -2.959 432 HE2 MET 54 2HE MET 54 2.822 5.816 -2.965 433 HE3 MET 54 3HE MET 54 1.935 6.465 -1.582 434 H GLN 55 H GLN 55 1.323 3.843 -9.155 435 HA GLN 55 HA GLN 55 2.476 2.247 -10.205 436 HB2 GLN 55 1HB GLN 55 4.489 4.453 -10.054 437 HB3 GLN 55 2HB GLN 55 4.860 2.934 -10.887 438 HG2 GLN 55 1HG GLN 55 2.903 3.290 -12.321 439 HG3 GLN 55 2HG GLN 55 2.585 4.805 -11.488 440 HE21 GLN 55 1HE2 GLN 55 4.580 3.143 -13.751 441 HE22 GLN 55 2HE2 GLN 55 5.418 4.531 -14.359 442 H LEU 56 H LEU 56 2.341 1.935 -7.432 443 HA LEU 56 HA LEU 56 4.952 0.853 -6.713 444 HB2 LEU 56 1HB LEU 56 2.812 2.213 -5.243 445 HB3 LEU 56 2HB LEU 56 3.469 0.808 -4.390 446 HG LEU 56 HG LEU 56 5.058 3.159 -5.427 447 HD11 LEU 56 1HD1 LEU 56 5.303 3.768 -3.068 448 HD12 LEU 56 2HD1 LEU 56 4.211 2.462 -2.620 449 HD13 LEU 56 3HD1 LEU 56 3.618 3.816 -3.578 450 HD21 LEU 56 1HD2 LEU 56 5.836 0.780 -3.758 451 HD22 LEU 56 2HD2 LEU 56 6.847 2.203 -4.005 452 HD23 LEU 56 3HD2 LEU 56 6.418 1.178 -5.375 453 H PHE 57 H PHE 57 1.804 0.031 -7.609 454 HA PHE 57 HA PHE 57 2.352 -2.793 -7.076 455 HB2 PHE 57 1HB PHE 57 0.790 -2.155 -5.323 456 HB3 PHE 57 2HB PHE 57 -0.263 -1.371 -6.492 457 HD1 PHE 57 HD1 PHE 57 -1.826 -2.619 -7.788 458 HD2 PHE 57 HD2 PHE 57 0.938 -4.609 -5.229 459 HE1 PHE 57 HE1 PHE 57 -3.109 -4.701 -8.030 460 HE2 PHE 57 HE2 PHE 57 -0.345 -6.696 -5.470 461 HZ PHE 57 HZ PHE 57 -2.367 -6.741 -6.870 462 H ASP 58 H ASP 58 1.906 -4.081 -8.758 463 HA ASP 58 HA ASP 58 0.640 -2.855 -11.119 464 HB2 ASP 58 1HB ASP 58 3.012 -3.337 -11.485 465 HB3 ASP 58 2HB ASP 58 2.779 -4.999 -10.966 466 H ASP 59 H ASP 59 -0.844 -4.043 -12.274 467 HA ASP 59 HA ASP 59 -2.543 -5.679 -10.701 468 HB2 ASP 59 1HB ASP 59 -3.926 -5.832 -12.702 469 HB3 ASP 59 2HB ASP 59 -3.371 -4.185 -12.479 470 H THR 60 H THR 60 0.124 -6.411 -12.692 471 HA THR 60 HA THR 60 -0.767 -9.183 -13.039 472 HB THR 60 HB THR 60 1.173 -7.465 -14.559 473 HG1 THR 60 HG1 THR 60 -1.164 -7.413 -14.981 474 HG21 THR 60 1HG2 THR 60 0.695 -10.427 -14.893 475 HG22 THR 60 2HG2 THR 60 2.189 -9.660 -14.344 476 HG23 THR 60 3HG2 THR 60 1.621 -9.405 -15.995 477 H GLU 61 H GLU 61 2.227 -7.320 -12.470 478 HA GLU 61 HA GLU 61 3.621 -9.649 -11.490 479 HB2 GLU 61 1HB GLU 61 4.585 -6.814 -11.234 480 HB3 GLU 61 2HB GLU 61 5.524 -8.292 -11.340 481 HG2 GLU 61 1HG GLU 61 4.855 -8.580 -13.652 482 HG3 GLU 61 2HG GLU 61 3.896 -7.105 -13.562 483 H GLY 62 H GLY 62 1.571 -7.339 -10.064 484 HA2 GLY 62 1HA GLY 62 0.897 -7.212 -7.838 485 HA3 GLY 62 2HA GLY 62 2.184 -8.350 -7.425 486 HA PRO 63 HA PRO 63 3.530 -4.363 -5.556 487 HB2 PRO 63 1HB PRO 63 5.146 -6.268 -3.979 488 HB3 PRO 63 2HB PRO 63 4.074 -4.976 -3.428 489 HG2 PRO 63 1HG PRO 63 3.425 -7.581 -3.198 490 HG3 PRO 63 2HG PRO 63 2.215 -6.315 -3.466 491 HD2 PRO 63 1HD PRO 63 3.350 -8.303 -5.388 492 HD3 PRO 63 2HD PRO 63 1.705 -7.620 -5.299 493 H LEU 64 H LEU 64 5.092 -3.294 -6.620 494 HA LEU 64 HA LEU 64 7.315 -4.760 -7.807 495 HB2 LEU 64 1HB LEU 64 6.853 -1.770 -7.807 496 HB3 LEU 64 2HB LEU 64 8.032 -2.641 -8.758 497 HG LEU 64 HG LEU 64 6.395 -2.146 -10.298 498 HD11 LEU 64 1HD1 LEU 64 5.834 -4.902 -9.258 499 HD12 LEU 64 2HD1 LEU 64 6.924 -4.424 -10.561 500 HD13 LEU 64 3HD1 LEU 64 5.177 -4.271 -10.770 501 HD21 LEU 64 1HD2 LEU 64 4.303 -2.910 -8.277 502 HD22 LEU 64 2HD2 LEU 64 3.995 -2.399 -9.936 503 HD23 LEU 64 3HD2 LEU 64 4.722 -1.275 -8.789 504 H VAL 65 H VAL 65 8.541 -5.479 -6.168 505 HA VAL 65 HA VAL 65 9.004 -4.234 -3.777 506 HB VAL 65 HB VAL 65 9.602 -6.397 -3.573 507 HG11 VAL 65 1HG1 VAL 65 11.031 -7.637 -5.230 508 HG12 VAL 65 2HG1 VAL 65 10.932 -6.218 -6.272 509 HG13 VAL 65 3HG1 VAL 65 9.469 -7.106 -5.844 510 HG21 VAL 65 1HG2 VAL 65 12.024 -6.680 -3.349 511 HG22 VAL 65 2HG2 VAL 65 11.426 -5.189 -2.623 512 HG23 VAL 65 3HG2 VAL 65 12.258 -5.140 -4.177 513 H ASP 66 H ASP 66 10.786 -3.867 -6.793 514 HA ASP 66 HA ASP 66 13.028 -2.486 -5.825 515 HB2 ASP 66 1HB ASP 66 11.613 -2.360 -8.485 516 HB3 ASP 66 2HB ASP 66 13.105 -1.491 -8.153 517 H ASN 67 H ASN 67 10.059 -1.142 -7.270 518 HA ASN 67 HA ASN 67 10.576 1.545 -6.707 519 HB2 ASN 67 1HB ASN 67 7.952 0.082 -7.022 520 HB3 ASN 67 2HB ASN 67 8.080 1.827 -6.885 521 HD21 ASN 67 1HD2 ASN 67 7.093 2.014 -8.931 522 HD22 ASN 67 2HD2 ASN 67 7.989 1.722 -10.384 523 H LEU 68 H LEU 68 9.116 -0.997 -4.826 524 HA LEU 68 HA LEU 68 7.993 0.557 -2.783 525 HB2 LEU 68 1HB LEU 68 8.780 -2.308 -3.054 526 HB3 LEU 68 2HB LEU 68 8.293 -1.690 -1.484 527 HG LEU 68 HG LEU 68 6.564 -1.324 -3.912 528 HD11 LEU 68 1HD1 LEU 68 6.985 -3.715 -3.693 529 HD12 LEU 68 2HD1 LEU 68 5.330 -3.318 -3.234 530 HD13 LEU 68 3HD1 LEU 68 6.536 -3.647 -1.989 531 HD21 LEU 68 1HD2 LEU 68 4.809 -1.112 -2.251 532 HD22 LEU 68 2HD2 LEU 68 6.106 0.043 -1.941 533 HD23 LEU 68 3HD2 LEU 68 5.976 -1.418 -0.964 534 H VAL 69 H VAL 69 11.142 -1.079 -2.973 535 HA VAL 69 HA VAL 69 12.033 -0.216 -0.415 536 HB VAL 69 HB VAL 69 13.620 -1.074 -2.824 537 HG11 VAL 69 1HG1 VAL 69 15.042 0.157 -1.341 538 HG12 VAL 69 2HG1 VAL 69 15.391 -1.561 -1.142 539 HG13 VAL 69 3HG1 VAL 69 14.411 -0.713 0.056 540 HG21 VAL 69 1HG2 VAL 69 13.721 -3.237 -1.744 541 HG22 VAL 69 2HG2 VAL 69 12.042 -2.761 -1.998 542 HG23 VAL 69 3HG2 VAL 69 12.766 -2.627 -0.393 543 H HIS 70 H HIS 70 12.399 1.067 -3.692 544 HA HIS 70 HA HIS 70 14.242 3.097 -3.044 545 HB2 HIS 70 1HB HIS 70 13.409 2.099 -5.331 546 HB3 HIS 70 2HB HIS 70 12.249 3.416 -5.247 547 HD1 HIS 70 HD1 HIS 70 14.527 3.160 -7.399 548 HD2 HIS 70 HD2 HIS 70 14.698 5.507 -3.972 549 HE1 HIS 70 HE1 HIS 70 16.237 4.936 -7.879 550 HE2 HIS 70 HE2 HIS 70 16.409 6.275 -5.751 551 H GLN 71 H GLN 71 10.833 2.819 -2.684 552 HA GLN 71 HA GLN 71 10.402 5.658 -2.216 553 HB2 GLN 71 1HB GLN 71 8.741 4.251 -3.433 554 HB3 GLN 71 2HB GLN 71 8.493 3.323 -1.964 555 HG2 GLN 71 1HG GLN 71 6.707 4.923 -2.272 556 HG3 GLN 71 2HG GLN 71 7.643 5.293 -0.830 557 HE21 GLN 71 1HE2 GLN 71 8.751 7.180 -0.699 558 HE22 GLN 71 2HE2 GLN 71 8.614 8.446 -1.863 559 H LEU 72 H LEU 72 9.804 2.660 -0.387 560 HA LEU 72 HA LEU 72 9.171 3.931 2.023 561 HB2 LEU 72 1HB LEU 72 10.075 1.122 1.445 562 HB3 LEU 72 2HB LEU 72 9.609 1.656 3.045 563 HG LEU 72 HG LEU 72 7.799 1.730 0.632 564 HD11 LEU 72 1HD1 LEU 72 6.692 -0.207 1.646 565 HD12 LEU 72 2HD1 LEU 72 7.912 -0.240 2.920 566 HD13 LEU 72 3HD1 LEU 72 8.373 -0.571 1.249 567 HD21 LEU 72 1HD2 LEU 72 7.124 3.362 2.242 568 HD22 LEU 72 2HD2 LEU 72 7.328 2.215 3.567 569 HD23 LEU 72 3HD2 LEU 72 6.039 1.978 2.387 570 H ALA 73 H ALA 73 12.234 2.486 0.934 571 HA ALA 73 HA ALA 73 13.563 2.921 3.423 572 HB1 ALA 73 1HB ALA 73 14.111 1.109 1.844 573 HB2 ALA 73 2HB ALA 73 15.508 2.070 2.333 574 HB3 ALA 73 3HB ALA 73 14.780 2.317 0.745 575 H HIS 74 H HIS 74 12.437 5.336 2.342 576 HA HIS 74 HA HIS 74 14.512 6.954 1.218 577 HB2 HIS 74 1HB HIS 74 12.038 7.379 0.936 578 HB3 HIS 74 2HB HIS 74 11.991 7.881 2.625 579 HD1 HIS 74 HD1 HIS 74 12.643 10.249 3.133 580 HD2 HIS 74 HD2 HIS 74 13.580 9.134 -0.758 581 HE1 HIS 74 HE1 HIS 74 13.325 12.367 1.971 582 HE2 HIS 74 HE2 HIS 74 14.090 11.627 -0.314 583 H GLY 75 H GLY 75 16.247 6.588 2.660 584 HA2 GLY 75 1HA GLY 75 17.582 7.795 4.214 585 HA3 GLY 75 2HA GLY 75 16.116 8.295 5.045 586 H ARG 76 H ARG 76 16.585 4.985 4.070 587 HA ARG 76 HA ARG 76 17.521 4.188 6.691 588 HB2 ARG 76 1HB ARG 76 14.731 3.791 5.768 589 HB3 ARG 76 2HB ARG 76 15.486 2.443 6.615 590 HG2 ARG 76 1HG ARG 76 16.048 4.081 8.447 591 HG3 ARG 76 2HG ARG 76 15.000 5.236 7.625 592 HD2 ARG 76 1HD ARG 76 13.761 4.126 9.368 593 HD3 ARG 76 2HD ARG 76 13.148 3.619 7.796 594 HE ARG 76 HE ARG 76 15.113 1.802 8.665 595 HH11 ARG 76 1HH1 ARG 76 11.840 2.789 9.404 596 HH12 ARG 76 2HH1 ARG 76 11.386 1.244 10.045 597 HH21 ARG 76 1HH2 ARG 76 14.525 -0.229 9.502 598 HH22 ARG 76 2HH2 ARG 76 12.910 -0.486 10.089 599 H ASP 77 H ASP 77 17.824 1.766 6.791 600 HA ASP 77 HA ASP 77 19.391 0.882 4.662 601 HB2 ASP 77 1HB ASP 77 18.132 -0.617 6.947 602 HB3 ASP 77 2HB ASP 77 19.200 -1.384 5.780 603 H ALA 78 H ALA 78 18.660 0.627 2.724 604 HA ALA 78 HA ALA 78 16.093 -0.030 1.899 605 HB1 ALA 78 1HB ALA 78 17.075 -0.379 -0.286 606 HB2 ALA 78 2HB ALA 78 18.679 -0.497 0.435 607 HB3 ALA 78 3HB ALA 78 17.797 1.029 0.492 608 H GLU 79 H GLU 79 18.848 -2.111 2.590 609 HA GLU 79 HA GLU 79 17.752 -4.489 1.515 610 HB2 GLU 79 1HB GLU 79 19.865 -4.037 3.614 611 HB3 GLU 79 2HB GLU 79 19.451 -5.626 2.982 612 HG2 GLU 79 1HG GLU 79 20.019 -4.815 0.715 613 HG3 GLU 79 2HG GLU 79 20.558 -3.299 1.429 614 H GLU 80 H GLU 80 17.655 -3.050 4.728 615 HA GLU 80 HA GLU 80 16.256 -5.113 6.051 616 HB2 GLU 80 1HB GLU 80 17.399 -3.304 7.231 617 HB3 GLU 80 2HB GLU 80 16.316 -2.126 6.516 618 HG2 GLU 80 1HG GLU 80 15.632 -2.463 8.752 619 HG3 GLU 80 2HG GLU 80 14.440 -3.233 7.719 620 H VAL 81 H VAL 81 15.214 -2.190 4.373 621 HA VAL 81 HA VAL 81 12.451 -2.456 4.718 622 HB VAL 81 HB VAL 81 14.026 -1.099 2.539 623 HG11 VAL 81 1HG1 VAL 81 11.762 -1.480 1.751 624 HG12 VAL 81 2HG1 VAL 81 11.994 0.227 2.138 625 HG13 VAL 81 3HG1 VAL 81 11.110 -0.821 3.252 626 HG21 VAL 81 1HG2 VAL 81 12.861 -0.178 5.144 627 HG22 VAL 81 2HG2 VAL 81 13.436 0.917 3.888 628 HG23 VAL 81 3HG2 VAL 81 14.556 -0.203 4.656 629 H ARG 82 H ARG 82 14.510 -3.428 1.966 630 HA ARG 82 HA ARG 82 12.624 -4.573 0.304 631 HB2 ARG 82 1HB ARG 82 15.052 -4.224 -0.183 632 HB3 ARG 82 2HB ARG 82 15.404 -5.630 0.808 633 HG2 ARG 82 1HG ARG 82 13.894 -6.936 -0.736 634 HG3 ARG 82 2HG ARG 82 13.924 -5.527 -1.793 635 HD2 ARG 82 1HD ARG 82 16.382 -5.649 -1.838 636 HD3 ARG 82 2HD ARG 82 16.307 -7.107 -0.853 637 HE ARG 82 HE ARG 82 14.818 -7.225 -3.330 638 HH11 ARG 82 1HH1 ARG 82 17.847 -7.868 -1.702 639 HH12 ARG 82 2HH1 ARG 82 18.393 -9.007 -2.889 640 HH21 ARG 82 1HH2 ARG 82 15.531 -8.735 -4.901 641 HH22 ARG 82 2HH2 ARG 82 17.071 -9.512 -4.703 642 H THR 83 H THR 83 14.339 -5.987 3.039 643 HA THR 83 HA THR 83 13.500 -8.636 2.692 644 HB THR 83 HB THR 83 14.446 -7.086 5.094 645 HG1 THR 83 HG1 THR 83 16.082 -7.470 3.679 646 HG21 THR 83 1HG2 THR 83 14.733 -9.266 6.236 647 HG22 THR 83 2HG2 THR 83 13.826 -10.036 4.934 648 HG23 THR 83 3HG2 THR 83 13.040 -8.845 5.972 649 H GLU 84 H GLU 84 12.235 -6.105 4.864 650 HA GLU 84 HA GLU 84 10.072 -7.530 5.888 651 HB2 GLU 84 1HB GLU 84 10.515 -4.582 5.508 652 HB3 GLU 84 2HB GLU 84 9.042 -5.214 6.228 653 HG2 GLU 84 1HG GLU 84 11.806 -5.757 7.254 654 HG3 GLU 84 2HG GLU 84 10.734 -4.507 7.877 655 H VAL 85 H VAL 85 10.210 -5.417 3.022 656 HA VAL 85 HA VAL 85 7.546 -5.544 2.256 657 HB VAL 85 HB VAL 85 10.061 -5.306 0.613 658 HG11 VAL 85 1HG1 VAL 85 8.384 -6.337 -0.807 659 HG12 VAL 85 2HG1 VAL 85 8.630 -4.653 -1.280 660 HG13 VAL 85 3HG1 VAL 85 7.207 -5.107 -0.340 661 HG21 VAL 85 1HG2 VAL 85 7.918 -3.342 1.404 662 HG22 VAL 85 2HG2 VAL 85 9.292 -2.984 0.357 663 HG23 VAL 85 3HG2 VAL 85 9.560 -3.426 2.043 664 H LEU 86 H LEU 86 10.222 -7.692 1.300 665 HA LEU 86 HA LEU 86 8.802 -9.353 -0.417 666 HB2 LEU 86 1HB LEU 86 11.210 -9.900 1.315 667 HB3 LEU 86 2HB LEU 86 10.591 -11.044 0.125 668 HG LEU 86 HG LEU 86 11.437 -8.249 -0.595 669 HD11 LEU 86 1HD1 LEU 86 13.077 -10.778 -0.653 670 HD12 LEU 86 2HD1 LEU 86 13.326 -9.402 0.423 671 HD13 LEU 86 3HD1 LEU 86 13.562 -9.216 -1.316 672 HD21 LEU 86 1HD2 LEU 86 9.999 -9.317 -2.207 673 HD22 LEU 86 2HD2 LEU 86 10.999 -10.769 -2.184 674 HD23 LEU 86 3HD2 LEU 86 11.646 -9.262 -2.836 675 H LYS 87 H LYS 87 9.017 -9.366 3.075 676 HA LYS 87 HA LYS 87 7.898 -11.987 3.425 677 HB2 LYS 87 1HB LYS 87 8.266 -9.667 5.322 678 HB3 LYS 87 2HB LYS 87 7.615 -11.227 5.809 679 HG2 LYS 87 1HG LYS 87 9.675 -12.325 5.208 680 HG3 LYS 87 2HG LYS 87 10.336 -10.801 4.590 681 HD2 LYS 87 1HD LYS 87 10.188 -9.844 6.843 682 HD3 LYS 87 2HD LYS 87 9.553 -11.378 7.446 683 HE2 LYS 87 1HE LYS 87 12.256 -10.956 6.182 684 HE3 LYS 87 2HE LYS 87 11.942 -11.146 7.906 685 HZ1 LYS 87 1HZ LYS 87 11.053 -13.367 7.427 686 HZ2 LYS 87 2HZ LYS 87 12.675 -13.218 6.976 687 HZ3 LYS 87 3HZ LYS 87 11.465 -13.179 5.796 688 H CYS 88 H CYS 88 6.627 -9.086 2.452 689 HA CYS 88 HA CYS 88 3.940 -9.839 3.353 690 HB2 CYS 88 1HB CYS 88 5.222 -7.183 2.869 691 HB3 CYS 88 2HB CYS 88 3.457 -7.348 2.729 692 H VAL 89 H VAL 89 6.005 -9.597 0.681 693 HA VAL 89 HA VAL 89 3.994 -9.323 -1.338 694 HB VAL 89 HB VAL 89 6.782 -10.473 -1.546 695 HG11 VAL 89 1HG1 VAL 89 4.803 -9.626 -3.652 696 HG12 VAL 89 2HG1 VAL 89 5.422 -11.254 -3.365 697 HG13 VAL 89 3HG1 VAL 89 6.498 -9.994 -3.971 698 HG21 VAL 89 1HG2 VAL 89 6.906 -8.173 -0.867 699 HG22 VAL 89 2HG2 VAL 89 5.732 -7.702 -2.097 700 HG23 VAL 89 3HG2 VAL 89 7.331 -8.278 -2.575 701 H ASP 90 H ASP 90 2.422 -10.773 -1.313 702 HA ASP 90 HA ASP 90 3.123 -13.618 -1.094 703 HB2 ASP 90 1HB ASP 90 1.935 -12.570 0.914 704 HB3 ASP 90 2HB ASP 90 0.540 -12.387 -0.147 705 H LYS 91 H LYS 91 1.591 -15.057 -2.192 706 HA LYS 91 HA LYS 91 1.017 -14.077 -4.828 707 HB2 LYS 91 1HB LYS 91 0.236 -16.763 -3.699 708 HB3 LYS 91 2HB LYS 91 0.450 -16.312 -5.387 709 HG2 LYS 91 1HG LYS 91 2.844 -15.942 -4.949 710 HG3 LYS 91 2HG LYS 91 2.599 -16.558 -3.318 711 HD2 LYS 91 1HD LYS 91 1.861 -18.128 -5.771 712 HD3 LYS 91 2HD LYS 91 3.460 -18.214 -5.036 713 HE2 LYS 91 1HE LYS 91 0.866 -18.820 -3.622 714 HE3 LYS 91 2HE LYS 91 1.954 -20.030 -4.301 715 HZ1 LYS 91 1HZ LYS 91 2.579 -18.133 -2.105 716 HZ2 LYS 91 2HZ LYS 91 3.694 -19.196 -2.800 717 HZ3 LYS 91 3HZ LYS 91 2.358 -19.803 -1.962 718 H ASN 92 H ASN 92 -0.942 -14.103 -5.897 719 HA ASN 92 HA ASN 92 -3.125 -13.091 -4.326 720 HB2 ASN 92 1HB ASN 92 -2.456 -12.184 -6.566 721 HB3 ASN 92 2HB ASN 92 -3.018 -13.684 -7.282 722 HD21 ASN 92 1HD2 ASN 92 -4.397 -12.342 -8.540 723 HD22 ASN 92 2HD2 ASN 92 -5.900 -11.774 -7.885 724 H THR 93 H THR 93 -3.472 -15.053 -3.082 725 HA THR 93 HA THR 93 -4.393 -17.421 -4.445 726 HB THR 93 HB THR 93 -4.690 -18.350 -2.182 727 HG1 THR 93 HG1 THR 93 -4.506 -17.116 -0.412 728 HG21 THR 93 1HG2 THR 93 -2.519 -18.532 -3.212 729 HG22 THR 93 2HG2 THR 93 -2.327 -18.232 -1.486 730 HG23 THR 93 3HG2 THR 93 -2.078 -16.923 -2.641 731 H ASP 94 H ASP 94 -5.859 -14.648 -2.953 732 HA ASP 94 HA ASP 94 -8.453 -15.907 -2.692 733 HB2 ASP 94 1HB ASP 94 -9.229 -13.599 -2.078 734 HB3 ASP 94 2HB ASP 94 -7.944 -14.240 -1.048 735 H ASN 95 H ASN 95 -6.684 -14.355 -5.090 736 HA ASN 95 HA ASN 95 -7.048 -14.013 -7.273 737 HB2 ASN 95 1HB ASN 95 -9.649 -15.430 -6.745 738 HB3 ASN 95 2HB ASN 95 -9.068 -14.983 -8.340 739 HD21 ASN 95 1HD2 ASN 95 -9.650 -17.586 -7.174 740 HD22 ASN 95 2HD2 ASN 95 -8.193 -18.513 -7.351 741 H ASN 96 H ASN 96 -8.158 -12.083 -5.119 742 HA ASN 96 HA ASN 96 -9.589 -10.493 -7.154 743 HB2 ASN 96 1HB ASN 96 -10.108 -9.442 -4.522 744 HB3 ASN 96 2HB ASN 96 -11.243 -9.957 -5.760 745 HD21 ASN 96 1HD2 ASN 96 -11.970 -12.110 -5.761 746 HD22 ASN 96 2HD2 ASN 96 -11.920 -13.057 -4.320 747 H ALA 97 H ALA 97 -8.446 -8.912 -7.869 748 HA ALA 97 HA ALA 97 -5.885 -8.298 -7.004 749 HB1 ALA 97 1HB ALA 97 -5.966 -6.441 -8.575 750 HB2 ALA 97 2HB ALA 97 -7.719 -6.599 -8.682 751 HB3 ALA 97 3HB ALA 97 -6.680 -7.897 -9.268 752 H CYS 98 H CYS 98 -8.948 -6.783 -6.105 753 HA CYS 98 HA CYS 98 -7.823 -4.490 -4.862 754 HB2 CYS 98 1HB CYS 98 -10.410 -5.910 -4.194 755 HB3 CYS 98 2HB CYS 98 -9.948 -4.308 -3.640 756 H HIS 99 H HIS 99 -8.392 -7.783 -3.743 757 HA HIS 99 HA HIS 99 -7.703 -7.056 -1.019 758 HB2 HIS 99 1HB HIS 99 -9.474 -8.762 -1.542 759 HB3 HIS 99 2HB HIS 99 -8.203 -9.820 -2.143 760 HD1 HIS 99 HD1 HIS 99 -6.981 -11.222 -0.453 761 HD2 HIS 99 HD2 HIS 99 -9.334 -8.274 1.311 762 HE1 HIS 99 HE1 HIS 99 -6.921 -11.684 2.022 763 HE2 HIS 99 HE2 HIS 99 -8.457 -9.974 3.049 764 H TRP 100 H TRP 100 -6.169 -8.252 -3.844 765 HA TRP 100 HA TRP 100 -3.906 -9.432 -2.609 766 HB2 TRP 100 1HB TRP 100 -4.544 -9.811 -4.995 767 HB3 TRP 100 2HB TRP 100 -4.040 -8.159 -5.359 768 HD1 TRP 100 HD1 TRP 100 -1.715 -9.693 -2.917 769 HE1 TRP 100 HE1 TRP 100 0.436 -10.477 -4.082 770 HE3 TRP 100 HE3 TRP 100 -3.255 -9.344 -7.785 771 HZ2 TRP 100 HZ2 TRP 100 1.357 -10.907 -6.712 772 HZ3 TRP 100 HZ3 TRP 100 -1.675 -9.961 -9.563 773 HH2 TRP 100 HH2 TRP 100 0.580 -10.728 -9.043 774 H ALA 101 H ALA 101 -4.369 -6.240 -4.124 775 HA ALA 101 HA ALA 101 -1.914 -5.135 -3.322 776 HB1 ALA 101 1HB ALA 101 -2.938 -2.971 -3.794 777 HB2 ALA 101 2HB ALA 101 -4.534 -3.721 -3.814 778 HB3 ALA 101 3HB ALA 101 -3.349 -4.142 -5.049 779 H PHE 102 H PHE 102 -5.009 -5.436 -1.749 780 HA PHE 102 HA PHE 102 -4.408 -3.760 0.454 781 HB2 PHE 102 1HB PHE 102 -6.695 -4.273 -0.312 782 HB3 PHE 102 2HB PHE 102 -6.495 -5.930 0.249 783 HD1 PHE 102 HD1 PHE 102 -7.134 -6.474 2.426 784 HD2 PHE 102 HD2 PHE 102 -6.379 -2.409 1.418 785 HE1 PHE 102 HE1 PHE 102 -7.964 -5.775 4.631 786 HE2 PHE 102 HE2 PHE 102 -7.200 -1.702 3.627 787 HZ PHE 102 HZ PHE 102 -7.993 -3.385 5.239 788 H ARG 103 H ARG 103 -3.876 -7.117 -0.308 789 HA ARG 103 HA ARG 103 -3.410 -8.094 2.310 790 HB2 ARG 103 1HB ARG 103 -3.821 -9.545 0.304 791 HB3 ARG 103 2HB ARG 103 -2.224 -9.098 -0.280 792 HG2 ARG 103 1HG ARG 103 -1.244 -10.062 1.778 793 HG3 ARG 103 2HG ARG 103 -2.854 -10.592 2.249 794 HD2 ARG 103 1HD ARG 103 -1.342 -11.474 -0.223 795 HD3 ARG 103 2HD ARG 103 -1.574 -12.417 1.243 796 HE ARG 103 HE ARG 103 -3.962 -11.553 -0.193 797 HH11 ARG 103 1HH1 ARG 103 -1.689 -14.124 0.544 798 HH12 ARG 103 2HH1 ARG 103 -2.776 -15.383 0.047 799 HH21 ARG 103 1HH2 ARG 103 -5.379 -13.236 -0.868 800 HH22 ARG 103 2HH2 ARG 103 -4.840 -14.894 -0.754 801 H GLY 104 H GLY 104 -1.281 -6.849 -0.225 802 HA2 GLY 104 1HA GLY 104 1.151 -7.192 1.182 803 HA3 GLY 104 2HA GLY 104 0.885 -6.078 -0.164 804 H PHE 105 H PHE 105 -1.029 -4.409 0.888 805 HA PHE 105 HA PHE 105 0.566 -2.623 2.352 806 HB2 PHE 105 1HB PHE 105 -1.089 -1.713 0.925 807 HB3 PHE 105 2HB PHE 105 -2.361 -2.661 1.677 808 HD1 PHE 105 HD1 PHE 105 -3.882 -1.193 2.630 809 HD2 PHE 105 HD2 PHE 105 0.290 -0.462 3.095 810 HE1 PHE 105 HE1 PHE 105 -4.383 0.709 4.102 811 HE2 PHE 105 HE2 PHE 105 -0.213 1.444 4.567 812 HZ PHE 105 HZ PHE 105 -2.547 2.031 5.073 813 H LYS 106 H LYS 106 -2.134 -4.706 3.316 814 HA LYS 106 HA LYS 106 -2.322 -3.687 5.936 815 HB2 LYS 106 1HB LYS 106 -4.267 -4.688 5.242 816 HB3 LYS 106 2HB LYS 106 -3.451 -6.075 4.520 817 HG2 LYS 106 1HG LYS 106 -3.041 -6.969 6.757 818 HG3 LYS 106 2HG LYS 106 -3.788 -5.535 7.470 819 HD2 LYS 106 1HD LYS 106 -5.899 -6.098 6.348 820 HD3 LYS 106 2HD LYS 106 -5.148 -7.544 5.676 821 HE2 LYS 106 1HE LYS 106 -5.473 -6.962 8.617 822 HE3 LYS 106 2HE LYS 106 -6.527 -8.009 7.671 823 HZ1 LYS 106 1HZ LYS 106 -4.601 -9.420 7.203 824 HZ2 LYS 106 2HZ LYS 106 -4.907 -9.305 8.860 825 HZ3 LYS 106 3HZ LYS 106 -3.634 -8.430 8.177 826 H CYS 107 H CYS 107 -0.581 -6.400 4.537 827 HA CYS 107 HA CYS 107 0.284 -7.593 6.920 828 HB2 CYS 107 1HB CYS 107 0.462 -8.866 4.942 829 HB3 CYS 107 2HB CYS 107 1.352 -7.606 4.098 830 H PHE 108 H PHE 108 1.670 -5.030 4.919 831 HA PHE 108 HA PHE 108 4.172 -5.023 6.299 832 HB2 PHE 108 1HB PHE 108 3.790 -4.396 3.881 833 HB3 PHE 108 2HB PHE 108 3.105 -2.881 4.468 834 HD1 PHE 108 HD1 PHE 108 6.142 -4.842 3.997 835 HD2 PHE 108 HD2 PHE 108 4.538 -1.192 5.485 836 HE1 PHE 108 HE1 PHE 108 8.400 -3.878 4.071 837 HE2 PHE 108 HE2 PHE 108 6.797 -0.226 5.559 838 HZ PHE 108 HZ PHE 108 8.731 -1.568 4.848 839 H GLN 109 H GLN 109 1.376 -2.813 6.206 840 HA GLN 109 HA GLN 109 2.436 -0.899 7.972 841 HB2 GLN 109 1HB GLN 109 0.187 -0.033 8.151 842 HB3 GLN 109 2HB GLN 109 0.528 -0.461 6.483 843 HG2 GLN 109 1HG GLN 109 -1.463 -1.454 6.539 844 HG3 GLN 109 2HG GLN 109 -0.642 -2.741 7.429 845 HE21 GLN 109 1HE2 GLN 109 -3.424 -1.862 7.526 846 HE22 GLN 109 2HE2 GLN 109 -3.737 -1.443 9.173 847 H LYS 110 H LYS 110 1.133 -3.997 8.515 848 HA LYS 110 HA LYS 110 0.132 -3.796 11.120 849 HB2 LYS 110 1HB LYS 110 -0.085 -5.731 9.548 850 HB3 LYS 110 2HB LYS 110 1.596 -6.124 9.869 851 HG2 LYS 110 1HG LYS 110 0.814 -6.188 12.341 852 HG3 LYS 110 2HG LYS 110 -0.789 -6.363 11.632 853 HD2 LYS 110 1HD LYS 110 1.596 -8.149 11.156 854 HD3 LYS 110 2HD LYS 110 0.152 -8.548 12.086 855 HE2 LYS 110 1HE LYS 110 -1.213 -8.461 10.120 856 HE3 LYS 110 2HE LYS 110 0.130 -7.846 9.160 857 HZ1 LYS 110 1HZ LYS 110 -0.246 -10.218 8.805 858 HZ2 LYS 110 2HZ LYS 110 0.036 -10.519 10.447 859 HZ3 LYS 110 3HZ LYS 110 1.283 -9.927 9.470 860 H ASN 111 H ASN 111 3.405 -4.146 9.873 861 HA ASN 111 HA ASN 111 4.418 -4.179 12.641 862 HB2 ASN 111 1HB ASN 111 5.641 -5.311 10.126 863 HB3 ASN 111 2HB ASN 111 6.519 -5.130 11.642 864 HD21 ASN 111 1HD2 ASN 111 6.865 -7.344 11.740 865 HD22 ASN 111 2HD2 ASN 111 5.605 -8.448 12.172 866 H ASN 112 H ASN 112 4.610 -2.559 9.539 867 HA ASN 112 HA ASN 112 6.512 -0.652 10.725 868 HB2 ASN 112 1HB ASN 112 6.712 -1.792 7.926 869 HB3 ASN 112 2HB ASN 112 7.718 -0.503 8.582 870 HD21 ASN 112 1HD2 ASN 112 7.253 -3.859 8.300 871 HD22 ASN 112 2HD2 ASN 112 8.620 -4.362 9.234 872 H LEU 113 H LEU 113 4.315 0.422 10.986 873 HA LEU 113 HA LEU 113 3.181 1.491 8.547 874 HB2 LEU 113 1HB LEU 113 1.625 0.918 10.252 875 HB3 LEU 113 2HB LEU 113 2.471 1.881 11.445 876 HG LEU 113 HG LEU 113 1.822 3.924 10.182 877 HD11 LEU 113 1HD1 LEU 113 1.593 2.868 7.982 878 HD12 LEU 113 2HD1 LEU 113 0.149 3.772 8.438 879 HD13 LEU 113 3HD1 LEU 113 0.160 2.013 8.552 880 HD21 LEU 113 1HD2 LEU 113 0.496 3.142 12.078 881 HD22 LEU 113 2HD2 LEU 113 -0.455 2.123 10.997 882 HD23 LEU 113 3HD2 LEU 113 -0.531 3.880 10.846 883 H SER 114 H SER 114 5.180 2.629 11.202 884 HA SER 114 HA SER 114 5.000 5.388 10.662 885 HB2 SER 114 1HB SER 114 7.347 3.907 11.876 886 HB3 SER 114 2HB SER 114 6.960 5.618 12.072 887 HG SER 114 HG SER 114 6.166 4.581 13.856 888 H LEU 115 H LEU 115 7.072 2.866 9.340 889 HA LEU 115 HA LEU 115 8.835 4.523 7.896 890 HB2 LEU 115 1HB LEU 115 9.230 2.135 8.309 891 HB3 LEU 115 2HB LEU 115 7.884 1.737 7.259 892 HG LEU 115 HG LEU 115 9.114 2.779 5.362 893 HD11 LEU 115 1HD1 LEU 115 11.528 3.185 5.667 894 HD12 LEU 115 2HD1 LEU 115 11.314 2.951 7.402 895 HD13 LEU 115 3HD1 LEU 115 10.522 4.300 6.593 896 HD21 LEU 115 1HD2 LEU 115 9.182 0.358 5.765 897 HD22 LEU 115 2HD2 LEU 115 10.602 0.577 6.790 898 HD23 LEU 115 3HD2 LEU 115 10.690 0.952 5.070 899 H ILE 116 H ILE 116 5.639 3.289 7.253 900 HA ILE 116 HA ILE 116 5.516 3.890 4.498 901 HB ILE 116 HB ILE 116 3.299 3.619 6.544 902 HG12 ILE 116 1HG1 ILE 116 4.449 1.662 4.536 903 HG13 ILE 116 2HG1 ILE 116 4.627 1.588 6.296 904 HG21 ILE 116 1HG2 ILE 116 3.159 3.679 3.537 905 HG22 ILE 116 2HG2 ILE 116 2.495 4.881 4.645 906 HG23 ILE 116 3HG2 ILE 116 1.826 3.246 4.606 907 HD11 ILE 116 1HD1 ILE 116 2.971 0.017 5.691 908 HD12 ILE 116 2HD1 ILE 116 2.142 1.182 4.663 909 HD13 ILE 116 3HD1 ILE 116 2.124 1.386 6.415 910 H LYS 117 H LYS 117 4.636 5.665 7.408 911 HA LYS 117 HA LYS 117 3.570 7.931 6.079 912 HB2 LYS 117 1HB LYS 117 4.602 7.523 8.878 913 HB3 LYS 117 2HB LYS 117 3.883 9.032 8.331 914 HG2 LYS 117 1HG LYS 117 1.796 7.882 7.844 915 HG3 LYS 117 2HG LYS 117 2.504 6.344 8.329 916 HD2 LYS 117 1HD LYS 117 2.807 7.190 10.599 917 HD3 LYS 117 2HD LYS 117 2.136 8.749 10.121 918 HE2 LYS 117 1HE LYS 117 0.001 7.690 9.615 919 HE3 LYS 117 2HE LYS 117 0.671 6.114 10.031 920 HZ1 LYS 117 1HZ LYS 117 0.970 6.850 12.292 921 HZ2 LYS 117 2HZ LYS 117 -0.642 7.080 11.834 922 HZ3 LYS 117 3HZ LYS 117 0.408 8.400 11.907 923 H ALA 118 H ALA 118 6.751 7.084 7.323 924 HA ALA 118 HA ALA 118 7.978 9.607 6.833 925 HB1 ALA 118 1HB ALA 118 8.845 7.964 8.422 926 HB2 ALA 118 2HB ALA 118 10.056 8.432 7.229 927 HB3 ALA 118 3HB ALA 118 9.224 6.882 7.083 928 H SER 119 H SER 119 7.479 6.719 4.952 929 HA SER 119 HA SER 119 9.293 7.056 2.892 930 HB2 SER 119 1HB SER 119 7.928 5.036 3.219 931 HB3 SER 119 2HB SER 119 6.490 5.927 2.730 932 HG SER 119 HG SER 119 8.783 5.565 1.101 933 H ILE 120 H ILE 120 6.017 8.359 3.197 934 HA ILE 120 HA ILE 120 6.192 9.687 0.629 935 HB ILE 120 HB ILE 120 3.915 10.554 1.227 936 HG12 ILE 120 1HG1 ILE 120 4.172 8.674 3.575 937 HG13 ILE 120 2HG1 ILE 120 4.291 10.427 3.699 938 HG21 ILE 120 1HG2 ILE 120 4.171 8.553 -0.111 939 HG22 ILE 120 2HG2 ILE 120 2.803 8.373 0.988 940 HG23 ILE 120 3HG2 ILE 120 4.333 7.576 1.348 941 HD11 ILE 120 1HD1 ILE 120 2.008 10.631 2.875 942 HD12 ILE 120 2HD1 ILE 120 2.094 9.651 4.335 943 HD13 ILE 120 3HD1 ILE 120 1.893 8.877 2.764 944 H LYS 121 H LYS 121 7.379 10.368 3.616 945 HA LYS 121 HA LYS 121 6.711 13.175 3.703 946 HB2 LYS 121 1HB LYS 121 6.979 11.895 5.780 947 HB3 LYS 121 2HB LYS 121 8.654 11.563 5.365 948 HG2 LYS 121 1HG LYS 121 9.130 13.978 5.444 949 HG3 LYS 121 2HG LYS 121 7.457 14.270 5.925 950 HD2 LYS 121 1HD LYS 121 7.802 12.922 7.937 951 HD3 LYS 121 2HD LYS 121 9.471 12.620 7.452 952 HE2 LYS 121 1HE LYS 121 9.973 14.987 7.611 953 HE3 LYS 121 2HE LYS 121 8.290 15.340 8.001 954 HZ1 LYS 121 1HZ LYS 121 9.664 15.301 9.982 955 HZ2 LYS 121 2HZ LYS 121 10.139 13.713 9.655 956 HZ3 LYS 121 3HZ LYS 121 8.528 14.051 10.029 957 H LYS 122 H LYS 122 7.705 14.624 2.518 958 HA LYS 122 HA LYS 122 10.607 14.555 2.279 959 HB2 LYS 122 1HB LYS 122 9.076 13.684 0.123 960 HB3 LYS 122 2HB LYS 122 9.399 15.364 -0.236 961 HG2 LYS 122 1HG LYS 122 11.464 13.246 0.307 962 HG3 LYS 122 2HG LYS 122 11.098 14.001 -1.246 963 HD2 LYS 122 1HD LYS 122 11.700 16.209 -0.183 964 HD3 LYS 122 2HD LYS 122 12.300 15.290 1.196 965 HE2 LYS 122 1HE LYS 122 14.153 15.802 -0.219 966 HE3 LYS 122 2HE LYS 122 13.817 14.077 -0.358 967 HZ1 LYS 122 1HZ LYS 122 14.241 15.116 -2.508 968 HZ2 LYS 122 2HZ LYS 122 12.920 16.147 -2.287 969 HZ3 LYS 122 3HZ LYS 122 12.679 14.482 -2.428 970 H ASP 123 H ASP 123 10.793 16.294 3.512 971 HA ASP 123 HA ASP 123 9.395 18.744 2.719 972 HB2 ASP 123 1HB ASP 123 9.350 17.993 5.113 973 HB3 ASP 123 2HB ASP 123 11.089 18.252 5.174 974 H21 ACD 201 H21 ACD 1 -4.585 4.616 1.248 975 H22 ACD 201 H22 ACD 1 -3.461 4.431 2.600 976 H31 ACD 201 H31 ACD 1 -1.978 6.163 1.473 977 H32 ACD 201 H32 ACD 1 -3.045 6.081 0.074 978 H41 ACD 201 H41 ACD 1 -2.603 3.583 -0.035 979 H42 ACD 201 H42 ACD 1 -1.173 4.588 -0.336 980 H5 ACD 201 H5 ACD 1 -1.664 2.828 2.110 981 H6 ACD 201 H6 ACD 1 0.556 3.531 2.670 982 H71 ACD 201 H71 ACD 1 0.889 4.861 0.110 983 H72 ACD 201 H72 ACD 1 -0.076 5.985 1.067 984 H8 ACD 201 H8 ACD 1 1.811 6.381 2.613 985 H9 ACD 201 H9 ACD 1 3.941 5.488 2.017 986 H101 ACD 201 H101 ACD 1 2.910 4.628 -0.556 987 H102 ACD 201 H102 ACD 1 2.453 3.344 0.561 988 H11 ACD 201 H11 ACD 1 5.399 4.265 0.459 989 H12 ACD 201 H12 ACD 1 5.749 1.937 0.153 990 H131 ACD 201 H131 ACD 1 2.786 1.945 -0.585 991 H132 ACD 201 H132 ACD 1 3.888 0.572 -0.668 992 H14 ACD 201 H14 ACD 1 2.743 1.632 2.015 993 H15 ACD 201 H15 ACD 1 2.589 -0.707 2.444 994 H161 ACD 201 H161 ACD 1 2.776 -1.394 -0.352 995 H162 ACD 201 H162 ACD 1 4.440 -1.003 0.093 996 H171 ACD 201 H171 ACD 1 4.469 -2.689 1.825 997 H172 ACD 201 H172 ACD 1 2.735 -2.975 1.654 998 H181 ACD 201 H181 ACD 1 4.796 -3.482 -0.531 999 H182 ACD 201 H182 ACD 1 3.070 -3.838 -0.632 1000 H191 ACD 201 H191 ACD 1 5.073 -5.082 1.299 1001 H192 ACD 201 H192 ACD 1 3.332 -5.370 1.366 1002 H201 ACD 201 H201 ACD 1 3.423 -6.269 -0.938 1003 H202 ACD 201 H202 ACD 1 4.470 -7.149 0.121 1004 H203 ACD 201 H203 ACD 1 5.131 -5.993 -0.987 Start of MODEL 14 1 H1 MET 1 1H MET 1 15.565 15.560 -16.605 2 H2 MET 1 2H MET 1 14.157 14.661 -16.857 3 H3 MET 1 3H MET 1 15.647 14.059 -17.383 4 HA MET 1 HA MET 1 14.900 12.959 -15.367 5 HB2 MET 1 1HB MET 1 17.325 13.250 -15.847 6 HB3 MET 1 2HB MET 1 17.304 14.746 -14.925 7 HG2 MET 1 1HG MET 1 16.576 13.421 -12.938 8 HG3 MET 1 2HG MET 1 16.831 11.962 -13.891 9 HE1 MET 1 1HE MET 1 19.191 11.167 -14.783 10 HE2 MET 1 2HE MET 1 20.686 12.073 -14.548 11 HE3 MET 1 3HE MET 1 19.421 12.718 -15.593 12 H GLU 2 H GLU 2 12.890 14.187 -14.870 13 HA GLU 2 HA GLU 2 13.291 16.045 -12.620 14 HB2 GLU 2 1HB GLU 2 10.974 15.831 -14.543 15 HB3 GLU 2 2HB GLU 2 10.955 16.817 -13.094 16 HG2 GLU 2 1HG GLU 2 11.406 18.230 -14.947 17 HG3 GLU 2 2HG GLU 2 12.890 18.083 -14.010 18 H PHE 3 H PHE 3 13.628 13.684 -11.752 19 HA PHE 3 HA PHE 3 11.247 12.153 -11.368 20 HB2 PHE 3 1HB PHE 3 13.488 11.114 -11.545 21 HB3 PHE 3 2HB PHE 3 13.928 11.844 -9.997 22 HD1 PHE 3 HD1 PHE 3 12.983 10.983 -7.918 23 HD2 PHE 3 HD2 PHE 3 11.984 9.267 -11.681 24 HE1 PHE 3 HE1 PHE 3 12.055 9.012 -6.772 25 HE2 PHE 3 HE2 PHE 3 11.052 7.298 -10.541 26 HZ PHE 3 HZ PHE 3 11.085 7.169 -8.084 27 H THR 4 H THR 4 9.776 12.459 -9.890 28 HA THR 4 HA THR 4 10.507 13.835 -7.388 29 HB THR 4 HB THR 4 7.722 14.179 -8.225 30 HG1 THR 4 HG1 THR 4 9.702 14.674 -10.027 31 HG21 THR 4 1HG2 THR 4 8.760 15.276 -6.304 32 HG22 THR 4 2HG2 THR 4 8.154 16.449 -7.475 33 HG23 THR 4 3HG2 THR 4 9.881 16.102 -7.384 34 H VAL 5 H VAL 5 9.879 12.865 -5.594 35 HA VAL 5 HA VAL 5 8.608 10.253 -5.861 36 HB VAL 5 HB VAL 5 9.558 9.655 -3.881 37 HG11 VAL 5 1HG1 VAL 5 11.292 12.026 -4.488 38 HG12 VAL 5 2HG1 VAL 5 11.362 10.469 -5.306 39 HG13 VAL 5 3HG1 VAL 5 11.747 10.579 -3.590 40 HG21 VAL 5 1HG2 VAL 5 9.387 12.492 -2.872 41 HG22 VAL 5 2HG2 VAL 5 9.938 11.094 -1.948 42 HG23 VAL 5 3HG2 VAL 5 8.262 11.190 -2.489 43 H SER 6 H SER 6 6.756 9.634 -4.806 44 HA SER 6 HA SER 6 4.761 11.675 -4.698 45 HB2 SER 6 1HB SER 6 4.515 8.748 -3.960 46 HB3 SER 6 2HB SER 6 3.196 9.853 -4.358 47 HG SER 6 HG SER 6 4.518 10.104 -6.426 48 H THR 7 H THR 7 5.002 13.031 -2.997 49 HA THR 7 HA THR 7 5.484 12.013 -0.323 50 HB THR 7 HB THR 7 5.500 14.365 0.359 51 HG1 THR 7 HG1 THR 7 4.670 14.796 -2.342 52 HG21 THR 7 1HG2 THR 7 7.433 15.108 -0.950 53 HG22 THR 7 2HG2 THR 7 7.080 13.881 -2.166 54 HG23 THR 7 3HG2 THR 7 7.556 13.397 -0.539 55 H THR 8 H THR 8 4.018 13.630 1.293 56 HA THR 8 HA THR 8 1.520 12.378 1.412 57 HB THR 8 HB THR 8 2.314 15.010 2.661 58 HG1 THR 8 HG1 THR 8 3.409 12.721 3.076 59 HG21 THR 8 1HG2 THR 8 0.096 13.069 3.277 60 HG22 THR 8 2HG2 THR 8 -0.058 14.747 2.752 61 HG23 THR 8 3HG2 THR 8 0.589 14.379 4.351 62 H GLU 9 H GLU 9 2.410 15.605 0.237 63 HA GLU 9 HA GLU 9 -0.140 16.564 -0.284 64 HB2 GLU 9 1HB GLU 9 2.393 17.177 -1.807 65 HB3 GLU 9 2HB GLU 9 0.928 18.149 -1.807 66 HG2 GLU 9 1HG GLU 9 1.209 18.523 0.606 67 HG3 GLU 9 2HG GLU 9 2.720 17.616 0.549 68 H ASP 10 H ASP 10 2.074 14.762 -2.368 69 HA ASP 10 HA ASP 10 0.474 14.707 -4.686 70 HB2 ASP 10 1HB ASP 10 2.442 12.595 -3.777 71 HB3 ASP 10 2HB ASP 10 1.870 12.869 -5.422 72 H LEU 11 H LEU 11 0.860 12.451 -2.008 73 HA LEU 11 HA LEU 11 -0.824 10.447 -2.914 74 HB2 LEU 11 1HB LEU 11 0.689 10.093 -1.079 75 HB3 LEU 11 2HB LEU 11 -0.177 11.268 -0.082 76 HG LEU 11 HG LEU 11 -2.158 9.751 -0.169 77 HD11 LEU 11 1HD1 LEU 11 -0.207 7.835 -1.426 78 HD12 LEU 11 2HD1 LEU 11 -1.577 8.590 -2.238 79 HD13 LEU 11 3HD1 LEU 11 -1.853 7.466 -0.913 80 HD21 LEU 11 1HD2 LEU 11 -1.321 8.216 1.477 81 HD22 LEU 11 2HD2 LEU 11 -0.516 9.769 1.701 82 HD23 LEU 11 3HD2 LEU 11 0.332 8.441 0.909 83 H GLN 12 H GLN 12 -1.556 13.421 -1.190 84 HA GLN 12 HA GLN 12 -4.180 12.851 -0.399 85 HB2 GLN 12 1HB GLN 12 -2.868 15.468 -1.118 86 HB3 GLN 12 2HB GLN 12 -4.496 15.356 -0.468 87 HG2 GLN 12 1HG GLN 12 -3.626 14.337 1.563 88 HG3 GLN 12 2HG GLN 12 -1.997 14.402 0.906 89 HE21 GLN 12 1HE2 GLN 12 -4.614 16.216 2.265 90 HE22 GLN 12 2HE2 GLN 12 -3.725 17.670 2.560 91 H ARG 13 H ARG 13 -2.933 14.160 -3.432 92 HA ARG 13 HA ARG 13 -5.448 14.610 -4.635 93 HB2 ARG 13 1HB ARG 13 -3.488 15.644 -5.582 94 HB3 ARG 13 2HB ARG 13 -2.741 14.074 -5.864 95 HG2 ARG 13 1HG ARG 13 -4.539 13.518 -7.440 96 HG3 ARG 13 2HG ARG 13 -5.229 15.128 -7.188 97 HD2 ARG 13 1HD ARG 13 -3.296 16.163 -8.149 98 HD3 ARG 13 2HD ARG 13 -2.449 14.615 -8.226 99 HE ARG 13 HE ARG 13 -4.594 14.086 -9.706 100 HH11 ARG 13 1HH1 ARG 13 -2.454 16.860 -9.765 101 HH12 ARG 13 2HH1 ARG 13 -2.710 17.172 -11.452 102 HH21 ARG 13 1HH2 ARG 13 -4.921 14.489 -11.904 103 HH22 ARG 13 2HH2 ARG 13 -4.106 15.816 -12.673 104 H TYR 14 H TYR 14 -3.222 11.854 -4.672 105 HA TYR 14 HA TYR 14 -4.583 10.376 -6.637 106 HB2 TYR 14 1HB TYR 14 -2.865 9.234 -4.426 107 HB3 TYR 14 2HB TYR 14 -3.235 8.488 -5.978 108 HD1 TYR 14 HD1 TYR 14 -2.881 11.190 -7.542 109 HD2 TYR 14 HD2 TYR 14 -0.464 9.062 -4.760 110 HE1 TYR 14 HE1 TYR 14 -0.872 12.202 -8.522 111 HE2 TYR 14 HE2 TYR 14 1.552 10.078 -5.734 112 HH TYR 14 HH TYR 14 1.452 12.728 -7.815 113 H ARG 15 H ARG 15 -4.997 10.542 -3.141 114 HA ARG 15 HA ARG 15 -6.778 8.390 -2.852 115 HB2 ARG 15 1HB ARG 15 -7.226 10.936 -1.324 116 HB3 ARG 15 2HB ARG 15 -7.460 9.281 -0.815 117 HG2 ARG 15 1HG ARG 15 -4.988 8.976 -0.805 118 HG3 ARG 15 2HG ARG 15 -4.834 10.704 -1.136 119 HD2 ARG 15 1HD ARG 15 -6.346 11.018 0.931 120 HD3 ARG 15 2HD ARG 15 -5.926 9.351 1.317 121 HE ARG 15 HE ARG 15 -3.906 11.472 0.999 122 HH11 ARG 15 1HH1 ARG 15 -5.071 8.586 2.598 123 HH12 ARG 15 2HH1 ARG 15 -3.950 8.710 3.912 124 HH21 ARG 15 1HH2 ARG 15 -2.409 11.625 2.726 125 HH22 ARG 15 2HH2 ARG 15 -2.436 10.442 3.988 126 H THR 16 H THR 16 -7.406 11.809 -3.412 127 HA THR 16 HA THR 16 -10.140 11.811 -3.586 128 HB THR 16 HB THR 16 -8.054 13.488 -4.953 129 HG1 THR 16 HG1 THR 16 -9.460 14.896 -3.271 130 HG21 THR 16 1HG2 THR 16 -9.826 15.099 -5.499 131 HG22 THR 16 2HG2 THR 16 -11.038 13.947 -4.942 132 HG23 THR 16 3HG2 THR 16 -10.046 13.571 -6.353 133 H GLU 17 H GLU 17 -7.839 11.412 -6.296 134 HA GLU 17 HA GLU 17 -9.847 11.211 -8.279 135 HB2 GLU 17 1HB GLU 17 -7.166 9.899 -8.621 136 HB3 GLU 17 2HB GLU 17 -8.150 10.736 -9.804 137 HG2 GLU 17 1HG GLU 17 -7.701 12.866 -8.647 138 HG3 GLU 17 2HG GLU 17 -6.592 12.012 -7.573 139 H CYS 18 H CYS 18 -8.328 8.798 -6.218 140 HA CYS 18 HA CYS 18 -9.569 6.587 -7.559 141 HB2 CYS 18 1HB CYS 18 -8.230 6.814 -4.863 142 HB3 CYS 18 2HB CYS 18 -8.930 5.314 -5.482 143 H VAL 19 H VAL 19 -10.408 8.733 -4.946 144 HA VAL 19 HA VAL 19 -12.474 7.208 -3.814 145 HB VAL 19 HB VAL 19 -11.744 10.108 -3.708 146 HG11 VAL 19 1HG1 VAL 19 -14.216 8.938 -2.436 147 HG12 VAL 19 2HG1 VAL 19 -14.204 10.045 -3.810 148 HG13 VAL 19 3HG1 VAL 19 -13.606 10.581 -2.239 149 HG21 VAL 19 1HG2 VAL 19 -12.025 7.923 -1.650 150 HG22 VAL 19 2HG2 VAL 19 -11.544 9.587 -1.307 151 HG23 VAL 19 3HG2 VAL 19 -10.520 8.560 -2.313 152 H SER 20 H SER 20 -12.545 9.865 -6.146 153 HA SER 20 HA SER 20 -15.332 9.789 -6.567 154 HB2 SER 20 1HB SER 20 -14.712 11.091 -8.676 155 HB3 SER 20 2HB SER 20 -14.182 11.778 -7.140 156 HG SER 20 HG SER 20 -12.284 11.769 -8.038 157 H SER 21 H SER 21 -12.692 7.972 -8.008 158 HA SER 21 HA SER 21 -14.202 7.087 -10.282 159 HB2 SER 21 1HB SER 21 -11.592 6.113 -9.101 160 HB3 SER 21 2HB SER 21 -12.259 5.561 -10.637 161 HG SER 21 HG SER 21 -11.225 8.093 -9.936 162 H LEU 22 H LEU 22 -13.128 5.538 -7.245 163 HA LEU 22 HA LEU 22 -14.517 3.097 -7.913 164 HB2 LEU 22 1HB LEU 22 -12.977 3.985 -5.480 165 HB3 LEU 22 2HB LEU 22 -13.712 2.388 -5.633 166 HG LEU 22 HG LEU 22 -11.665 3.449 -7.573 167 HD11 LEU 22 1HD1 LEU 22 -10.050 2.041 -6.369 168 HD12 LEU 22 2HD1 LEU 22 -11.278 1.709 -5.144 169 HD13 LEU 22 3HD1 LEU 22 -10.668 3.349 -5.359 170 HD21 LEU 22 1HD2 LEU 22 -12.603 0.650 -6.974 171 HD22 LEU 22 2HD2 LEU 22 -11.460 1.141 -8.227 172 HD23 LEU 22 3HD2 LEU 22 -13.151 1.630 -8.333 173 H ASN 23 H ASN 23 -15.692 5.913 -7.004 174 HA ASN 23 HA ASN 23 -17.478 6.737 -5.881 175 HB2 ASN 23 1HB ASN 23 -18.599 5.041 -7.330 176 HB3 ASN 23 2HB ASN 23 -18.532 3.910 -5.991 177 HD21 ASN 23 1HD2 ASN 23 -20.791 3.771 -5.919 178 HD22 ASN 23 2HD2 ASN 23 -21.764 5.058 -5.284 179 H ILE 24 H ILE 24 -15.319 6.087 -4.277 180 HA ILE 24 HA ILE 24 -15.980 4.606 -1.971 181 HB ILE 24 HB ILE 24 -14.043 6.913 -2.166 182 HG12 ILE 24 1HG1 ILE 24 -13.597 5.226 -3.921 183 HG13 ILE 24 2HG1 ILE 24 -12.322 5.261 -2.706 184 HG21 ILE 24 1HG2 ILE 24 -12.910 5.838 -0.313 185 HG22 ILE 24 2HG2 ILE 24 -14.110 4.546 -0.305 186 HG23 ILE 24 3HG2 ILE 24 -14.585 6.192 0.110 187 HD11 ILE 24 1HD1 ILE 24 -14.535 3.231 -2.907 188 HD12 ILE 24 2HD1 ILE 24 -13.279 3.259 -1.668 189 HD13 ILE 24 3HD1 ILE 24 -12.847 2.989 -3.357 190 HA PRO 25 HA PRO 25 -18.851 7.520 -0.107 191 HB2 PRO 25 1HB PRO 25 -18.459 5.898 2.297 192 HB3 PRO 25 2HB PRO 25 -19.931 6.192 1.368 193 HG2 PRO 25 1HG PRO 25 -18.656 3.810 1.400 194 HG3 PRO 25 2HG PRO 25 -19.598 4.396 0.020 195 HD2 PRO 25 1HD PRO 25 -16.640 4.291 0.389 196 HD3 PRO 25 2HD PRO 25 -17.610 4.075 -1.088 197 H ALA 26 H ALA 26 -18.646 9.231 1.199 198 HA ALA 26 HA ALA 26 -16.135 10.287 1.770 199 HB1 ALA 26 1HB ALA 26 -18.788 10.992 3.010 200 HB2 ALA 26 2HB ALA 26 -18.150 11.631 1.494 201 HB3 ALA 26 3HB ALA 26 -17.343 12.001 3.021 202 H ASP 27 H ASP 27 -18.307 8.394 3.757 203 HA ASP 27 HA ASP 27 -17.241 8.685 6.280 204 HB2 ASP 27 1HB ASP 27 -18.319 6.205 4.936 205 HB3 ASP 27 2HB ASP 27 -17.933 6.285 6.649 206 H TYR 28 H TYR 28 -16.242 6.257 3.862 207 HA TYR 28 HA TYR 28 -14.088 5.258 5.326 208 HB2 TYR 28 1HB TYR 28 -14.797 5.257 2.411 209 HB3 TYR 28 2HB TYR 28 -13.257 4.584 2.944 210 HD1 TYR 28 HD1 TYR 28 -13.172 2.463 4.072 211 HD2 TYR 28 HD2 TYR 28 -16.922 4.239 3.143 212 HE1 TYR 28 HE1 TYR 28 -14.300 0.345 4.599 213 HE2 TYR 28 HE2 TYR 28 -18.062 2.124 3.664 214 HH TYR 28 HH TYR 28 -17.546 -0.264 3.784 215 H VAL 29 H VAL 29 -14.331 7.961 3.098 216 HA VAL 29 HA VAL 29 -11.632 8.454 2.624 217 HB VAL 29 HB VAL 29 -13.868 10.463 2.786 218 HG11 VAL 29 1HG1 VAL 29 -12.444 11.788 1.256 219 HG12 VAL 29 2HG1 VAL 29 -11.153 10.606 1.491 220 HG13 VAL 29 3HG1 VAL 29 -11.725 11.569 2.851 221 HG21 VAL 29 1HG2 VAL 29 -12.800 8.825 0.500 222 HG22 VAL 29 2HG2 VAL 29 -13.941 10.158 0.327 223 HG23 VAL 29 3HG2 VAL 29 -14.402 8.714 1.228 224 H GLU 30 H GLU 30 -13.730 9.694 5.238 225 HA GLU 30 HA GLU 30 -11.820 11.392 6.436 226 HB2 GLU 30 1HB GLU 30 -13.840 9.896 8.077 227 HB3 GLU 30 2HB GLU 30 -13.224 11.530 8.280 228 HG2 GLU 30 1HG GLU 30 -14.403 12.131 6.163 229 HG3 GLU 30 2HG GLU 30 -15.187 10.555 6.244 230 H LYS 31 H LYS 31 -12.437 7.975 6.724 231 HA LYS 31 HA LYS 31 -10.782 7.513 8.981 232 HB2 LYS 31 1HB LYS 31 -11.721 5.586 6.850 233 HB3 LYS 31 2HB LYS 31 -11.004 5.144 8.407 234 HG2 LYS 31 1HG LYS 31 -12.879 6.325 9.533 235 HG3 LYS 31 2HG LYS 31 -13.614 6.572 7.947 236 HD2 LYS 31 1HD LYS 31 -13.718 4.156 7.608 237 HD3 LYS 31 2HD LYS 31 -12.970 3.897 9.197 238 HE2 LYS 31 1HE LYS 31 -15.432 3.632 9.261 239 HE3 LYS 31 2HE LYS 31 -14.871 4.942 10.297 240 HZ1 LYS 31 1HZ LYS 31 -16.028 5.267 7.583 241 HZ2 LYS 31 2HZ LYS 31 -15.513 6.524 8.590 242 HZ3 LYS 31 3HZ LYS 31 -16.834 5.569 9.037 243 H PHE 32 H PHE 32 -10.266 7.129 5.484 244 HA PHE 32 HA PHE 32 -7.704 6.040 5.571 245 HB2 PHE 32 1HB PHE 32 -8.809 7.909 3.473 246 HB3 PHE 32 2HB PHE 32 -7.444 6.818 3.275 247 HD1 PHE 32 HD1 PHE 32 -8.788 4.498 4.833 248 HD2 PHE 32 HD2 PHE 32 -10.064 7.015 1.651 249 HE1 PHE 32 HE1 PHE 32 -10.297 2.733 4.045 250 HE2 PHE 32 HE2 PHE 32 -11.576 5.247 0.861 251 HZ PHE 32 HZ PHE 32 -11.696 3.102 2.057 252 H LYS 33 H LYS 33 -8.712 9.424 5.563 253 HA LYS 33 HA LYS 33 -6.133 10.555 5.421 254 HB2 LYS 33 1HB LYS 33 -8.435 11.691 5.132 255 HB3 LYS 33 2HB LYS 33 -8.436 11.816 6.890 256 HG2 LYS 33 1HG LYS 33 -6.504 13.178 6.894 257 HG3 LYS 33 2HG LYS 33 -6.206 12.869 5.178 258 HD2 LYS 33 1HD LYS 33 -7.156 15.087 5.494 259 HD3 LYS 33 2HD LYS 33 -8.278 14.054 4.614 260 HE2 LYS 33 1HE LYS 33 -9.458 15.374 6.272 261 HE3 LYS 33 2HE LYS 33 -9.529 13.663 6.681 262 HZ1 LYS 33 1HZ LYS 33 -9.067 15.057 8.608 263 HZ2 LYS 33 2HZ LYS 33 -7.652 15.627 7.878 264 HZ3 LYS 33 3HZ LYS 33 -7.788 13.995 8.300 265 H LYS 34 H LYS 34 -7.950 9.157 8.027 266 HA LYS 34 HA LYS 34 -6.004 10.078 10.004 267 HB2 LYS 34 1HB LYS 34 -8.697 8.754 10.217 268 HB3 LYS 34 2HB LYS 34 -7.610 8.808 11.597 269 HG2 LYS 34 1HG LYS 34 -8.595 11.217 10.091 270 HG3 LYS 34 2HG LYS 34 -9.300 10.605 11.588 271 HD2 LYS 34 1HD LYS 34 -7.151 10.946 12.723 272 HD3 LYS 34 2HD LYS 34 -6.467 11.580 11.226 273 HE2 LYS 34 1HE LYS 34 -8.087 13.400 11.246 274 HE3 LYS 34 2HE LYS 34 -8.802 12.756 12.724 275 HZ1 LYS 34 1HZ LYS 34 -6.731 13.150 13.874 276 HZ2 LYS 34 2HZ LYS 34 -7.274 14.588 13.162 277 HZ3 LYS 34 3HZ LYS 34 -6.007 13.719 12.455 278 H TRP 35 H TRP 35 -5.510 8.020 7.876 279 HA TRP 35 HA TRP 35 -4.493 6.020 7.581 280 HB2 TRP 35 1HB TRP 35 -3.534 6.715 10.356 281 HB3 TRP 35 2HB TRP 35 -2.891 5.363 9.415 282 HD1 TRP 35 HD1 TRP 35 -2.643 9.106 9.817 283 HE1 TRP 35 HE1 TRP 35 -0.835 10.020 8.227 284 HE3 TRP 35 HE3 TRP 35 -1.856 4.914 6.998 285 HZ2 TRP 35 HZ2 TRP 35 0.713 9.082 6.059 286 HZ3 TRP 35 HZ3 TRP 35 -0.200 5.006 5.186 287 HH2 TRP 35 HH2 TRP 35 1.061 7.039 4.724 288 H GLU 36 H GLU 36 -7.129 5.669 8.233 289 HA GLU 36 HA GLU 36 -7.041 3.228 9.859 290 HB2 GLU 36 1HB GLU 36 -8.205 5.185 10.937 291 HB3 GLU 36 2HB GLU 36 -9.396 5.080 9.655 292 HG2 GLU 36 1HG GLU 36 -9.926 2.799 10.353 293 HG3 GLU 36 2HG GLU 36 -8.760 2.946 11.663 294 H PHE 37 H PHE 37 -7.375 1.533 8.633 295 HA PHE 37 HA PHE 37 -8.964 1.858 6.168 296 HB2 PHE 37 1HB PHE 37 -6.582 0.032 6.602 297 HB3 PHE 37 2HB PHE 37 -7.459 0.246 5.093 298 HD1 PHE 37 HD1 PHE 37 -5.187 1.843 7.500 299 HD2 PHE 37 HD2 PHE 37 -7.029 2.129 3.670 300 HE1 PHE 37 HE1 PHE 37 -3.670 3.688 6.908 301 HE2 PHE 37 HE2 PHE 37 -5.522 3.979 3.081 302 HZ PHE 37 HZ PHE 37 -3.839 4.759 4.698 303 HA PRO 38 HA PRO 38 -11.351 -1.257 8.588 304 HB2 PRO 38 1HB PRO 38 -13.254 -0.560 6.417 305 HB3 PRO 38 2HB PRO 38 -13.523 -0.696 8.165 306 HG2 PRO 38 1HG PRO 38 -13.414 1.696 7.027 307 HG3 PRO 38 2HG PRO 38 -12.633 1.409 8.593 308 HD2 PRO 38 1HD PRO 38 -11.379 1.560 5.866 309 HD3 PRO 38 2HD PRO 38 -10.814 2.255 7.414 310 H GLU 39 H GLU 39 -11.792 -3.341 8.170 311 HA GLU 39 HA GLU 39 -10.623 -4.555 5.858 312 HB2 GLU 39 1HB GLU 39 -10.616 -5.498 8.190 313 HB3 GLU 39 2HB GLU 39 -12.324 -5.855 7.985 314 HG2 GLU 39 1HG GLU 39 -11.206 -7.863 7.529 315 HG3 GLU 39 2HG GLU 39 -11.633 -7.203 5.948 316 H ASP 40 H ASP 40 -11.858 -3.687 4.160 317 HA ASP 40 HA ASP 40 -14.249 -5.178 3.540 318 HB2 ASP 40 1HB ASP 40 -15.251 -3.354 4.833 319 HB3 ASP 40 2HB ASP 40 -14.418 -2.164 3.836 320 H ASP 41 H ASP 41 -14.790 -5.124 1.381 321 HA ASP 41 HA ASP 41 -12.678 -5.090 -0.402 322 HB2 ASP 41 1HB ASP 41 -15.635 -4.901 -0.989 323 HB3 ASP 41 2HB ASP 41 -14.400 -5.225 -2.197 324 H THR 42 H THR 42 -14.924 -2.504 0.378 325 HA THR 42 HA THR 42 -14.422 -0.740 -1.722 326 HB THR 42 HB THR 42 -14.845 -0.021 1.181 327 HG1 THR 42 HG1 THR 42 -16.568 -1.258 0.698 328 HG21 THR 42 1HG2 THR 42 -15.386 1.473 -1.377 329 HG22 THR 42 2HG2 THR 42 -14.196 1.883 -0.140 330 HG23 THR 42 3HG2 THR 42 -15.917 1.989 0.224 331 H THR 43 H THR 43 -12.876 -0.789 1.479 332 HA THR 43 HA THR 43 -10.861 1.066 0.978 333 HB THR 43 HB THR 43 -10.717 -1.307 2.840 334 HG1 THR 43 HG1 THR 43 -11.534 0.418 4.345 335 HG21 THR 43 1HG2 THR 43 -9.355 0.324 4.205 336 HG22 THR 43 2HG2 THR 43 -9.312 1.358 2.776 337 HG23 THR 43 3HG2 THR 43 -8.591 -0.249 2.723 338 H MET 44 H MET 44 -11.032 -2.375 0.354 339 HA MET 44 HA MET 44 -8.280 -2.862 0.067 340 HB2 MET 44 1HB MET 44 -10.600 -4.347 -1.164 341 HB3 MET 44 2HB MET 44 -8.957 -4.954 -1.027 342 HG2 MET 44 1HG MET 44 -9.097 -4.916 1.381 343 HG3 MET 44 2HG MET 44 -10.701 -4.197 1.304 344 HE1 MET 44 1HE MET 44 -11.598 -6.027 2.951 345 HE2 MET 44 2HE MET 44 -9.993 -6.755 3.030 346 HE3 MET 44 3HE MET 44 -11.404 -7.763 2.701 347 H CYS 45 H CYS 45 -10.785 -2.289 -2.410 348 HA CYS 45 HA CYS 45 -8.810 -2.378 -4.493 349 HB2 CYS 45 1HB CYS 45 -11.460 -2.817 -4.590 350 HB3 CYS 45 2HB CYS 45 -11.437 -1.125 -5.095 351 H TYR 46 H TYR 46 -10.181 0.085 -2.483 352 HA TYR 46 HA TYR 46 -9.419 2.367 -3.883 353 HB2 TYR 46 1HB TYR 46 -10.709 2.722 -1.964 354 HB3 TYR 46 2HB TYR 46 -9.665 1.719 -0.959 355 HD1 TYR 46 HD1 TYR 46 -9.740 4.952 -2.825 356 HD2 TYR 46 HD2 TYR 46 -8.022 2.712 0.364 357 HE1 TYR 46 HE1 TYR 46 -8.591 6.971 -2.025 358 HE2 TYR 46 HE2 TYR 46 -6.862 4.726 1.161 359 HH TYR 46 HH TYR 46 -6.169 6.873 0.461 360 H ILE 47 H ILE 47 -7.613 0.351 -1.613 361 HA ILE 47 HA ILE 47 -5.183 1.708 -1.715 362 HB ILE 47 HB ILE 47 -5.764 -1.206 -1.223 363 HG12 ILE 47 1HG1 ILE 47 -6.730 0.294 0.437 364 HG13 ILE 47 2HG1 ILE 47 -5.381 -0.587 1.150 365 HG21 ILE 47 1HG2 ILE 47 -3.172 0.289 -0.869 366 HG22 ILE 47 2HG2 ILE 47 -3.481 -1.057 -1.966 367 HG23 ILE 47 3HG2 ILE 47 -3.499 -1.317 -0.222 368 HD11 ILE 47 1HD1 ILE 47 -5.437 2.281 0.257 369 HD12 ILE 47 2HD1 ILE 47 -3.964 1.430 0.730 370 HD13 ILE 47 3HD1 ILE 47 -5.267 1.656 1.898 371 H LYS 48 H LYS 48 -6.505 -0.826 -3.814 372 HA LYS 48 HA LYS 48 -4.149 -1.346 -5.247 373 HB2 LYS 48 1HB LYS 48 -6.275 -2.723 -5.300 374 HB3 LYS 48 2HB LYS 48 -6.941 -1.515 -6.389 375 HG2 LYS 48 1HG LYS 48 -5.145 -1.961 -7.989 376 HG3 LYS 48 2HG LYS 48 -4.469 -3.164 -6.892 377 HD2 LYS 48 1HD LYS 48 -5.683 -4.449 -8.393 378 HD3 LYS 48 2HD LYS 48 -6.797 -4.271 -7.040 379 HE2 LYS 48 1HE LYS 48 -8.064 -3.903 -9.002 380 HE3 LYS 48 2HE LYS 48 -7.801 -2.317 -8.279 381 HZ1 LYS 48 1HZ LYS 48 -6.044 -1.902 -9.857 382 HZ2 LYS 48 2HZ LYS 48 -7.450 -2.330 -10.691 383 HZ3 LYS 48 3HZ LYS 48 -6.199 -3.459 -10.512 384 H CYS 49 H CYS 49 -6.866 0.836 -5.942 385 HA CYS 49 HA CYS 49 -5.931 1.883 -8.336 386 HB2 CYS 49 1HB CYS 49 -8.170 2.316 -7.718 387 HB3 CYS 49 2HB CYS 49 -7.700 3.085 -6.204 388 H VAL 50 H VAL 50 -5.403 3.077 -5.026 389 HA VAL 50 HA VAL 50 -3.946 5.355 -5.757 390 HB VAL 50 HB VAL 50 -4.044 3.800 -3.179 391 HG11 VAL 50 1HG1 VAL 50 -1.937 5.013 -3.271 392 HG12 VAL 50 2HG1 VAL 50 -3.038 5.773 -2.122 393 HG13 VAL 50 3HG1 VAL 50 -2.792 6.492 -3.712 394 HG21 VAL 50 1HG2 VAL 50 -5.447 5.678 -2.451 395 HG22 VAL 50 2HG2 VAL 50 -6.136 4.818 -3.828 396 HG23 VAL 50 3HG2 VAL 50 -5.331 6.368 -4.070 397 H PHE 51 H PHE 51 -2.926 2.138 -4.705 398 HA PHE 51 HA PHE 51 -0.166 2.625 -4.716 399 HB2 PHE 51 1HB PHE 51 -1.925 0.238 -4.636 400 HB3 PHE 51 2HB PHE 51 -0.254 -0.032 -5.112 401 HD1 PHE 51 HD1 PHE 51 -1.176 2.618 -2.743 402 HD2 PHE 51 HD2 PHE 51 0.205 -1.387 -3.181 403 HE1 PHE 51 HE1 PHE 51 -0.547 2.573 -0.366 404 HE2 PHE 51 HE2 PHE 51 0.832 -1.434 -0.807 405 HZ PHE 51 HZ PHE 51 0.458 0.547 0.605 406 H ASN 52 H ASN 52 -2.416 1.835 -7.227 407 HA ASN 52 HA ASN 52 -0.441 1.016 -9.153 408 HB2 ASN 52 1HB ASN 52 -2.823 0.237 -9.180 409 HB3 ASN 52 2HB ASN 52 -3.312 1.876 -9.618 410 HD21 ASN 52 1HD2 ASN 52 -0.448 0.174 -10.783 411 HD22 ASN 52 2HD2 ASN 52 -0.964 0.069 -12.429 412 H LYS 53 H LYS 53 -2.199 3.933 -8.341 413 HA LYS 53 HA LYS 53 -1.325 5.466 -10.572 414 HB2 LYS 53 1HB LYS 53 -2.653 6.084 -7.958 415 HB3 LYS 53 2HB LYS 53 -2.064 7.398 -8.965 416 HG2 LYS 53 1HG LYS 53 -3.528 6.779 -10.748 417 HG3 LYS 53 2HG LYS 53 -3.962 5.272 -9.938 418 HD2 LYS 53 1HD LYS 53 -5.724 6.942 -9.708 419 HD3 LYS 53 2HD LYS 53 -5.023 6.527 -8.144 420 HE2 LYS 53 1HE LYS 53 -5.383 8.929 -8.328 421 HE3 LYS 53 2HE LYS 53 -3.667 8.557 -8.208 422 HZ1 LYS 53 1HZ LYS 53 -5.018 9.007 -10.800 423 HZ2 LYS 53 2HZ LYS 53 -3.358 8.996 -10.479 424 HZ3 LYS 53 3HZ LYS 53 -4.321 10.263 -9.905 425 H MET 54 H MET 54 -0.018 4.751 -7.446 426 HA MET 54 HA MET 54 2.019 6.802 -7.636 427 HB2 MET 54 1HB MET 54 1.399 4.673 -5.599 428 HB3 MET 54 2HB MET 54 2.843 5.678 -5.501 429 HG2 MET 54 1HG MET 54 1.531 7.650 -5.286 430 HG3 MET 54 2HG MET 54 0.050 6.769 -5.639 431 HE1 MET 54 1HE MET 54 2.414 6.673 -1.696 432 HE2 MET 54 2HE MET 54 2.786 7.651 -3.116 433 HE3 MET 54 3HE MET 54 3.099 5.917 -3.134 434 H GLN 55 H GLN 55 1.586 4.008 -9.159 435 HA GLN 55 HA GLN 55 2.810 2.428 -10.150 436 HB2 GLN 55 1HB GLN 55 4.665 4.738 -10.014 437 HB3 GLN 55 2HB GLN 55 5.303 3.190 -10.573 438 HG2 GLN 55 1HG GLN 55 3.460 3.150 -12.252 439 HG3 GLN 55 2HG GLN 55 3.041 4.780 -11.743 440 HE21 GLN 55 1HE2 GLN 55 5.387 2.784 -13.316 441 HE22 GLN 55 2HE2 GLN 55 6.278 4.062 -14.078 442 H LEU 56 H LEU 56 2.443 1.757 -7.653 443 HA LEU 56 HA LEU 56 5.042 0.842 -6.686 444 HB2 LEU 56 1HB LEU 56 2.836 2.215 -5.334 445 HB3 LEU 56 2HB LEU 56 3.448 0.814 -4.442 446 HG LEU 56 HG LEU 56 5.066 3.169 -5.411 447 HD11 LEU 56 1HD1 LEU 56 5.240 3.759 -3.049 448 HD12 LEU 56 2HD1 LEU 56 4.169 2.424 -2.633 449 HD13 LEU 56 3HD1 LEU 56 3.563 3.774 -3.589 450 HD21 LEU 56 1HD2 LEU 56 5.800 0.733 -3.817 451 HD22 LEU 56 2HD2 LEU 56 6.803 2.177 -3.914 452 HD23 LEU 56 3HD2 LEU 56 6.464 1.243 -5.370 453 H PHE 57 H PHE 57 1.874 0.048 -7.625 454 HA PHE 57 HA PHE 57 2.416 -2.786 -7.152 455 HB2 PHE 57 1HB PHE 57 0.885 -2.200 -5.356 456 HB3 PHE 57 2HB PHE 57 -0.173 -1.355 -6.475 457 HD1 PHE 57 HD1 PHE 57 -1.752 -2.535 -7.832 458 HD2 PHE 57 HD2 PHE 57 0.947 -4.655 -5.310 459 HE1 PHE 57 HE1 PHE 57 -3.084 -4.578 -8.130 460 HE2 PHE 57 HE2 PHE 57 -0.385 -6.701 -5.606 461 HZ PHE 57 HZ PHE 57 -2.401 -6.663 -7.017 462 H ASP 58 H ASP 58 2.028 -3.986 -8.890 463 HA ASP 58 HA ASP 58 0.710 -2.695 -11.179 464 HB2 ASP 58 1HB ASP 58 2.998 -3.440 -11.620 465 HB3 ASP 58 2HB ASP 58 2.601 -5.065 -11.081 466 H ASP 59 H ASP 59 -1.057 -3.607 -12.113 467 HA ASP 59 HA ASP 59 -2.722 -5.100 -10.364 468 HB2 ASP 59 1HB ASP 59 -3.567 -3.415 -11.954 469 HB3 ASP 59 2HB ASP 59 -3.128 -4.459 -13.291 470 H THR 60 H THR 60 -0.489 -6.021 -12.765 471 HA THR 60 HA THR 60 -1.654 -8.685 -13.055 472 HB THR 60 HB THR 60 0.522 -7.232 -14.541 473 HG1 THR 60 HG1 THR 60 -2.142 -7.517 -14.847 474 HG21 THR 60 1HG2 THR 60 0.705 -9.179 -15.996 475 HG22 THR 60 2HG2 THR 60 -0.441 -10.059 -14.985 476 HG23 THR 60 3HG2 THR 60 1.134 -9.594 -14.338 477 H GLU 61 H GLU 61 1.587 -7.257 -12.476 478 HA GLU 61 HA GLU 61 2.625 -9.823 -11.645 479 HB2 GLU 61 1HB GLU 61 4.081 -7.189 -11.527 480 HB3 GLU 61 2HB GLU 61 4.750 -8.814 -11.628 481 HG2 GLU 61 1HG GLU 61 3.829 -9.068 -13.868 482 HG3 GLU 61 2HG GLU 61 3.187 -7.429 -13.781 483 H GLY 62 H GLY 62 1.214 -7.166 -9.994 484 HA2 GLY 62 1HA GLY 62 0.637 -7.290 -7.703 485 HA3 GLY 62 2HA GLY 62 1.943 -8.453 -7.468 486 HA PRO 63 HA PRO 63 3.327 -4.526 -5.474 487 HB2 PRO 63 1HB PRO 63 4.971 -6.483 -3.981 488 HB3 PRO 63 2HB PRO 63 3.927 -5.190 -3.376 489 HG2 PRO 63 1HG PRO 63 3.237 -7.778 -3.184 490 HG3 PRO 63 2HG PRO 63 2.039 -6.496 -3.444 491 HD2 PRO 63 1HD PRO 63 3.180 -8.460 -5.398 492 HD3 PRO 63 2HD PRO 63 1.527 -7.802 -5.285 493 H LEU 64 H LEU 64 4.827 -3.426 -6.522 494 HA LEU 64 HA LEU 64 7.023 -4.797 -7.840 495 HB2 LEU 64 1HB LEU 64 6.417 -1.835 -7.781 496 HB3 LEU 64 2HB LEU 64 7.499 -2.674 -8.877 497 HG LEU 64 HG LEU 64 4.514 -3.097 -8.793 498 HD11 LEU 64 1HD1 LEU 64 6.205 -1.555 -10.758 499 HD12 LEU 64 2HD1 LEU 64 5.054 -0.867 -9.611 500 HD13 LEU 64 3HD1 LEU 64 4.482 -1.897 -10.922 501 HD21 LEU 64 1HD2 LEU 64 6.593 -4.051 -10.753 502 HD22 LEU 64 2HD2 LEU 64 4.858 -4.367 -10.822 503 HD23 LEU 64 3HD2 LEU 64 5.828 -5.043 -9.513 504 H VAL 65 H VAL 65 8.288 -5.501 -6.226 505 HA VAL 65 HA VAL 65 8.853 -4.327 -3.822 506 HB VAL 65 HB VAL 65 10.576 -6.186 -5.434 507 HG11 VAL 65 1HG1 VAL 65 11.676 -6.726 -3.298 508 HG12 VAL 65 2HG1 VAL 65 10.786 -5.415 -2.526 509 HG13 VAL 65 3HG1 VAL 65 11.960 -5.057 -3.794 510 HG21 VAL 65 1HG2 VAL 65 8.593 -6.629 -3.214 511 HG22 VAL 65 2HG2 VAL 65 9.636 -7.876 -3.900 512 HG23 VAL 65 3HG2 VAL 65 8.412 -7.099 -4.903 513 H ASP 66 H ASP 66 10.618 -3.890 -6.873 514 HA ASP 66 HA ASP 66 12.847 -2.580 -5.800 515 HB2 ASP 66 1HB ASP 66 12.710 -3.467 -8.102 516 HB3 ASP 66 2HB ASP 66 11.636 -2.138 -8.528 517 H ASN 67 H ASN 67 9.910 -1.177 -7.257 518 HA ASN 67 HA ASN 67 10.561 1.501 -6.661 519 HB2 ASN 67 1HB ASN 67 7.921 0.156 -7.220 520 HB3 ASN 67 2HB ASN 67 8.081 1.889 -6.970 521 HD21 ASN 67 1HD2 ASN 67 7.326 2.309 -9.038 522 HD22 ASN 67 2HD2 ASN 67 8.310 2.059 -10.442 523 H LEU 68 H LEU 68 8.904 -1.020 -4.910 524 HA LEU 68 HA LEU 68 7.806 0.486 -2.830 525 HB2 LEU 68 1HB LEU 68 8.618 -2.370 -3.139 526 HB3 LEU 68 2HB LEU 68 8.146 -1.776 -1.556 527 HG LEU 68 HG LEU 68 6.383 -1.419 -3.964 528 HD11 LEU 68 1HD1 LEU 68 6.835 -3.808 -3.719 529 HD12 LEU 68 2HD1 LEU 68 5.175 -3.420 -3.271 530 HD13 LEU 68 3HD1 LEU 68 6.381 -3.724 -2.018 531 HD21 LEU 68 1HD2 LEU 68 5.836 -1.489 -1.005 532 HD22 LEU 68 2HD2 LEU 68 4.644 -1.217 -2.278 533 HD23 LEU 68 3HD2 LEU 68 5.927 -0.039 -2.002 534 H VAL 69 H VAL 69 10.940 -1.169 -3.022 535 HA VAL 69 HA VAL 69 11.911 -0.285 -0.515 536 HB VAL 69 HB VAL 69 13.445 -1.070 -2.989 537 HG11 VAL 69 1HG1 VAL 69 15.283 -1.535 -1.397 538 HG12 VAL 69 2HG1 VAL 69 14.314 -0.796 -0.119 539 HG13 VAL 69 3HG1 VAL 69 14.861 0.175 -1.485 540 HG21 VAL 69 1HG2 VAL 69 13.617 -3.258 -1.963 541 HG22 VAL 69 2HG2 VAL 69 11.923 -2.810 -2.161 542 HG23 VAL 69 3HG2 VAL 69 12.685 -2.699 -0.574 543 H HIS 70 H HIS 70 12.120 1.022 -3.786 544 HA HIS 70 HA HIS 70 13.918 3.102 -3.292 545 HB2 HIS 70 1HB HIS 70 13.147 2.265 -5.528 546 HB3 HIS 70 2HB HIS 70 11.628 3.111 -5.267 547 HD1 HIS 70 HD1 HIS 70 15.087 3.587 -6.414 548 HD2 HIS 70 HD2 HIS 70 11.884 5.978 -5.280 549 HE1 HIS 70 HE1 HIS 70 15.648 5.897 -7.225 550 HE2 HIS 70 HE2 HIS 70 13.800 7.356 -6.332 551 H GLN 71 H GLN 71 10.494 2.841 -2.665 552 HA GLN 71 HA GLN 71 10.248 5.676 -2.030 553 HB2 GLN 71 1HB GLN 71 8.476 4.180 -3.211 554 HB3 GLN 71 2HB GLN 71 8.111 3.625 -1.579 555 HG2 GLN 71 1HG GLN 71 6.611 5.416 -2.257 556 HG3 GLN 71 2HG GLN 71 7.604 5.881 -0.878 557 HE21 GLN 71 1HE2 GLN 71 7.367 8.082 -1.271 558 HE22 GLN 71 2HE2 GLN 71 8.138 8.866 -2.600 559 H LEU 72 H LEU 72 9.669 2.591 -0.356 560 HA LEU 72 HA LEU 72 9.131 3.768 2.131 561 HB2 LEU 72 1HB LEU 72 9.962 0.968 1.414 562 HB3 LEU 72 2HB LEU 72 9.524 1.450 3.040 563 HG LEU 72 HG LEU 72 7.701 1.637 0.640 564 HD11 LEU 72 1HD1 LEU 72 8.195 -0.685 1.216 565 HD12 LEU 72 2HD1 LEU 72 6.532 -0.272 1.639 566 HD13 LEU 72 3HD1 LEU 72 7.766 -0.369 2.897 567 HD21 LEU 72 1HD2 LEU 72 7.265 2.125 3.580 568 HD22 LEU 72 2HD2 LEU 72 5.956 1.900 2.419 569 HD23 LEU 72 3HD2 LEU 72 7.057 3.268 2.249 570 H ALA 73 H ALA 73 12.140 2.397 0.825 571 HA ALA 73 HA ALA 73 13.573 2.760 3.277 572 HB1 ALA 73 1HB ALA 73 14.106 0.995 1.643 573 HB2 ALA 73 2HB ALA 73 15.498 1.992 2.070 574 HB3 ALA 73 3HB ALA 73 14.673 2.238 0.530 575 H HIS 74 H HIS 74 12.326 5.152 2.286 576 HA HIS 74 HA HIS 74 14.244 6.893 1.110 577 HB2 HIS 74 1HB HIS 74 11.767 7.285 1.062 578 HB3 HIS 74 2HB HIS 74 11.825 7.624 2.791 579 HD1 HIS 74 HD1 HIS 74 12.315 9.979 3.457 580 HD2 HIS 74 HD2 HIS 74 13.216 9.246 -0.538 581 HE1 HIS 74 HE1 HIS 74 12.853 12.224 2.461 582 HE2 HIS 74 HE2 HIS 74 13.368 11.763 0.040 583 H GLY 75 H GLY 75 16.147 6.683 2.278 584 HA2 GLY 75 1HA GLY 75 17.610 7.721 3.788 585 HA3 GLY 75 2HA GLY 75 16.229 8.237 4.744 586 H ARG 76 H ARG 76 16.691 4.944 3.650 587 HA ARG 76 HA ARG 76 17.603 4.111 6.284 588 HB2 ARG 76 1HB ARG 76 14.876 3.672 5.250 589 HB3 ARG 76 2HB ARG 76 15.643 2.279 6.003 590 HG2 ARG 76 1HG ARG 76 16.081 3.705 7.999 591 HG3 ARG 76 2HG ARG 76 15.112 4.970 7.241 592 HD2 ARG 76 1HD ARG 76 13.200 3.469 7.169 593 HD3 ARG 76 2HD ARG 76 14.159 2.193 7.912 594 HE ARG 76 HE ARG 76 14.015 4.640 9.433 595 HH11 ARG 76 1HH1 ARG 76 12.573 1.512 8.817 596 HH12 ARG 76 2HH1 ARG 76 11.787 1.423 10.358 597 HH21 ARG 76 1HH2 ARG 76 12.981 4.542 11.460 598 HH22 ARG 76 2HH2 ARG 76 12.005 3.166 11.864 599 H ASP 77 H ASP 77 17.619 1.560 6.289 600 HA ASP 77 HA ASP 77 19.441 0.778 4.252 601 HB2 ASP 77 1HB ASP 77 18.065 -0.848 6.392 602 HB3 ASP 77 2HB ASP 77 19.366 -1.438 5.369 603 H ALA 78 H ALA 78 18.772 0.462 2.266 604 HA ALA 78 HA ALA 78 16.210 -0.241 1.423 605 HB1 ALA 78 1HB ALA 78 18.807 -0.740 -0.016 606 HB2 ALA 78 2HB ALA 78 17.928 0.789 -0.001 607 HB3 ALA 78 3HB ALA 78 17.202 -0.637 -0.742 608 H GLU 79 H GLU 79 18.983 -2.243 2.225 609 HA GLU 79 HA GLU 79 18.049 -4.700 1.245 610 HB2 GLU 79 1HB GLU 79 19.889 -4.085 3.554 611 HB3 GLU 79 2HB GLU 79 19.595 -5.708 2.949 612 HG2 GLU 79 1HG GLU 79 20.451 -4.977 0.741 613 HG3 GLU 79 2HG GLU 79 20.863 -3.420 1.457 614 H GLU 80 H GLU 80 17.748 -3.222 4.449 615 HA GLU 80 HA GLU 80 16.317 -5.302 5.685 616 HB2 GLU 80 1HB GLU 80 17.453 -3.517 6.911 617 HB3 GLU 80 2HB GLU 80 16.336 -2.341 6.248 618 HG2 GLU 80 1HG GLU 80 14.498 -3.433 7.411 619 HG3 GLU 80 2HG GLU 80 15.627 -4.597 8.089 620 H VAL 81 H VAL 81 15.256 -2.288 4.156 621 HA VAL 81 HA VAL 81 12.517 -2.575 4.530 622 HB VAL 81 HB VAL 81 14.063 -1.149 2.379 623 HG11 VAL 81 1HG1 VAL 81 11.132 -0.950 3.065 624 HG12 VAL 81 2HG1 VAL 81 11.813 -1.558 1.556 625 HG13 VAL 81 3HG1 VAL 81 12.003 0.143 1.987 626 HG21 VAL 81 1HG2 VAL 81 13.497 0.815 3.756 627 HG22 VAL 81 2HG2 VAL 81 14.506 -0.358 4.593 628 HG23 VAL 81 3HG2 VAL 81 12.781 -0.266 4.948 629 H ARG 82 H ARG 82 14.526 -3.551 1.745 630 HA ARG 82 HA ARG 82 12.578 -4.650 0.119 631 HB2 ARG 82 1HB ARG 82 14.980 -4.354 -0.458 632 HB3 ARG 82 2HB ARG 82 15.359 -5.746 0.549 633 HG2 ARG 82 1HG ARG 82 13.873 -7.113 -0.880 634 HG3 ARG 82 2HG ARG 82 13.676 -5.716 -1.935 635 HD2 ARG 82 1HD ARG 82 16.116 -5.662 -2.261 636 HD3 ARG 82 2HD ARG 82 16.256 -7.119 -1.282 637 HE ARG 82 HE ARG 82 14.506 -7.843 -3.213 638 HH11 ARG 82 1HH1 ARG 82 17.690 -6.400 -3.277 639 HH12 ARG 82 2HH1 ARG 82 18.121 -7.106 -4.802 640 HH21 ARG 82 1HH2 ARG 82 15.073 -8.796 -5.209 641 HH22 ARG 82 2HH2 ARG 82 16.634 -8.471 -5.901 642 H THR 83 H THR 83 14.351 -6.130 2.789 643 HA THR 83 HA THR 83 13.343 -8.731 2.509 644 HB THR 83 HB THR 83 14.508 -7.207 4.830 645 HG1 THR 83 HG1 THR 83 15.458 -8.636 2.744 646 HG21 THR 83 1HG2 THR 83 13.004 -8.892 5.774 647 HG22 THR 83 2HG2 THR 83 14.693 -9.321 6.051 648 HG23 THR 83 3HG2 THR 83 13.771 -10.137 4.787 649 H GLU 84 H GLU 84 12.339 -6.115 4.734 650 HA GLU 84 HA GLU 84 10.177 -7.443 5.885 651 HB2 GLU 84 1HB GLU 84 10.445 -4.468 5.441 652 HB3 GLU 84 2HB GLU 84 9.421 -5.261 6.628 653 HG2 GLU 84 1HG GLU 84 11.541 -6.250 7.581 654 HG3 GLU 84 2HG GLU 84 12.414 -5.108 6.567 655 H VAL 85 H VAL 85 10.317 -5.496 2.920 656 HA VAL 85 HA VAL 85 7.558 -5.491 2.362 657 HB VAL 85 HB VAL 85 9.978 -5.291 0.576 658 HG11 VAL 85 1HG1 VAL 85 8.457 -4.657 -1.249 659 HG12 VAL 85 2HG1 VAL 85 7.079 -5.081 -0.230 660 HG13 VAL 85 3HG1 VAL 85 8.216 -6.330 -0.738 661 HG21 VAL 85 1HG2 VAL 85 9.224 -2.969 0.350 662 HG22 VAL 85 2HG2 VAL 85 9.539 -3.405 2.030 663 HG23 VAL 85 3HG2 VAL 85 7.877 -3.309 1.439 664 H LEU 86 H LEU 86 10.134 -7.692 1.257 665 HA LEU 86 HA LEU 86 8.584 -9.355 -0.341 666 HB2 LEU 86 1HB LEU 86 11.091 -9.906 1.241 667 HB3 LEU 86 2HB LEU 86 10.377 -11.071 0.129 668 HG LEU 86 HG LEU 86 11.217 -8.313 -0.724 669 HD11 LEU 86 1HD1 LEU 86 13.145 -9.511 0.190 670 HD12 LEU 86 2HD1 LEU 86 13.263 -9.327 -1.562 671 HD13 LEU 86 3HD1 LEU 86 12.793 -10.877 -0.869 672 HD21 LEU 86 1HD2 LEU 86 11.225 -9.374 -2.945 673 HD22 LEU 86 2HD2 LEU 86 9.634 -9.394 -2.187 674 HD23 LEU 86 3HD2 LEU 86 10.616 -10.858 -2.213 675 H LYS 87 H LYS 87 9.053 -9.352 3.130 676 HA LYS 87 HA LYS 87 7.906 -11.924 3.596 677 HB2 LYS 87 1HB LYS 87 8.403 -9.559 5.402 678 HB3 LYS 87 2HB LYS 87 7.714 -11.073 5.975 679 HG2 LYS 87 1HG LYS 87 9.715 -12.270 5.304 680 HG3 LYS 87 2HG LYS 87 10.409 -10.775 4.655 681 HD2 LYS 87 1HD LYS 87 10.416 -9.794 6.871 682 HD3 LYS 87 2HD LYS 87 9.643 -11.234 7.536 683 HE2 LYS 87 1HE LYS 87 11.613 -12.560 6.817 684 HE3 LYS 87 2HE LYS 87 12.386 -11.063 6.296 685 HZ1 LYS 87 1HZ LYS 87 12.197 -10.261 8.599 686 HZ2 LYS 87 2HZ LYS 87 13.161 -11.642 8.472 687 HZ3 LYS 87 3HZ LYS 87 11.580 -11.764 9.064 688 H CYS 88 H CYS 88 6.570 -9.043 2.608 689 HA CYS 88 HA CYS 88 3.932 -9.782 3.672 690 HB2 CYS 88 1HB CYS 88 5.189 -7.135 3.090 691 HB3 CYS 88 2HB CYS 88 3.422 -7.299 2.985 692 H VAL 89 H VAL 89 5.818 -9.751 0.914 693 HA VAL 89 HA VAL 89 3.811 -9.221 -1.030 694 HB VAL 89 HB VAL 89 6.459 -10.651 -1.239 695 HG11 VAL 89 1HG1 VAL 89 6.175 -10.391 -3.687 696 HG12 VAL 89 2HG1 VAL 89 4.520 -9.848 -3.404 697 HG13 VAL 89 3HG1 VAL 89 4.996 -11.490 -2.973 698 HG21 VAL 89 1HG2 VAL 89 5.557 -7.893 -2.056 699 HG22 VAL 89 2HG2 VAL 89 7.136 -8.591 -2.420 700 HG23 VAL 89 3HG2 VAL 89 6.669 -8.295 -0.745 701 H ASP 90 H ASP 90 2.067 -10.400 -1.155 702 HA ASP 90 HA ASP 90 2.250 -13.310 -0.779 703 HB2 ASP 90 1HB ASP 90 0.854 -11.829 0.836 704 HB3 ASP 90 2HB ASP 90 -0.279 -11.703 -0.509 705 H LYS 91 H LYS 91 0.348 -14.432 -2.011 706 HA LYS 91 HA LYS 91 0.408 -13.429 -4.772 707 HB2 LYS 91 1HB LYS 91 -0.486 -16.171 -3.912 708 HB3 LYS 91 2HB LYS 91 0.073 -15.640 -5.493 709 HG2 LYS 91 1HG LYS 91 2.318 -15.303 -4.550 710 HG3 LYS 91 2HG LYS 91 1.739 -15.960 -3.025 711 HD2 LYS 91 1HD LYS 91 2.863 -17.703 -4.230 712 HD3 LYS 91 2HD LYS 91 1.135 -18.053 -4.210 713 HE2 LYS 91 1HE LYS 91 2.021 -18.496 -6.408 714 HE3 LYS 91 2HE LYS 91 0.950 -17.100 -6.482 715 HZ1 LYS 91 1HZ LYS 91 3.918 -17.008 -6.388 716 HZ2 LYS 91 2HZ LYS 91 2.898 -15.660 -6.446 717 HZ3 LYS 91 3HZ LYS 91 2.961 -16.725 -7.755 718 H ASN 92 H ASN 92 -1.527 -13.834 -6.090 719 HA ASN 92 HA ASN 92 -3.862 -12.783 -4.727 720 HB2 ASN 92 1HB ASN 92 -3.057 -11.882 -6.921 721 HB3 ASN 92 2HB ASN 92 -3.478 -13.422 -7.653 722 HD21 ASN 92 1HD2 ASN 92 -4.852 -12.252 -9.049 723 HD22 ASN 92 2HD2 ASN 92 -6.422 -11.739 -8.528 724 H THR 93 H THR 93 -3.830 -14.979 -3.560 725 HA THR 93 HA THR 93 -4.864 -17.238 -4.970 726 HB THR 93 HB THR 93 -5.267 -18.113 -2.625 727 HG1 THR 93 HG1 THR 93 -5.071 -16.729 -1.032 728 HG21 THR 93 1HG2 THR 93 -2.875 -18.389 -2.164 729 HG22 THR 93 2HG2 THR 93 -2.512 -17.120 -3.334 730 HG23 THR 93 3HG2 THR 93 -3.247 -18.632 -3.869 731 H ASP 94 H ASP 94 -6.283 -14.439 -3.593 732 HA ASP 94 HA ASP 94 -8.867 -15.657 -3.135 733 HB2 ASP 94 1HB ASP 94 -8.010 -12.758 -3.025 734 HB3 ASP 94 2HB ASP 94 -9.597 -13.369 -2.545 735 H ASN 95 H ASN 95 -7.215 -14.411 -5.753 736 HA ASN 95 HA ASN 95 -7.739 -14.077 -7.913 737 HB2 ASN 95 1HB ASN 95 -9.103 -16.126 -7.563 738 HB3 ASN 95 2HB ASN 95 -10.482 -15.110 -7.191 739 HD21 ASN 95 1HD2 ASN 95 -11.691 -15.891 -8.857 740 HD22 ASN 95 2HD2 ASN 95 -11.357 -15.512 -10.519 741 H ASN 96 H ASN 96 -8.328 -12.048 -5.757 742 HA ASN 96 HA ASN 96 -9.664 -10.232 -7.625 743 HB2 ASN 96 1HB ASN 96 -10.132 -9.165 -5.044 744 HB3 ASN 96 2HB ASN 96 -11.328 -9.755 -6.191 745 HD21 ASN 96 1HD2 ASN 96 -12.218 -11.786 -5.866 746 HD22 ASN 96 2HD2 ASN 96 -12.013 -12.665 -4.390 747 H ALA 97 H ALA 97 -8.234 -8.777 -8.224 748 HA ALA 97 HA ALA 97 -5.701 -8.481 -7.055 749 HB1 ALA 97 1HB ALA 97 -5.369 -6.673 -8.640 750 HB2 ALA 97 2HB ALA 97 -7.102 -6.611 -8.959 751 HB3 ALA 97 3HB ALA 97 -6.171 -8.036 -9.419 752 H CYS 98 H CYS 98 -8.712 -6.769 -6.557 753 HA CYS 98 HA CYS 98 -7.708 -4.491 -5.237 754 HB2 CYS 98 1HB CYS 98 -10.327 -5.901 -4.683 755 HB3 CYS 98 2HB CYS 98 -9.952 -4.214 -4.342 756 H HIS 99 H HIS 99 -8.504 -7.727 -4.083 757 HA HIS 99 HA HIS 99 -8.008 -7.064 -1.311 758 HB2 HIS 99 1HB HIS 99 -9.691 -8.775 -2.108 759 HB3 HIS 99 2HB HIS 99 -8.339 -9.800 -2.565 760 HD1 HIS 99 HD1 HIS 99 -10.491 -8.917 0.243 761 HD2 HIS 99 HD2 HIS 99 -6.773 -10.691 -0.279 762 HE1 HIS 99 HE1 HIS 99 -10.012 -10.122 2.393 763 HE2 HIS 99 HE2 HIS 99 -7.842 -11.332 1.989 764 H TRP 100 H TRP 100 -6.299 -8.326 -4.024 765 HA TRP 100 HA TRP 100 -4.159 -9.606 -2.734 766 HB2 TRP 100 1HB TRP 100 -4.696 -9.848 -5.145 767 HB3 TRP 100 2HB TRP 100 -4.150 -8.195 -5.419 768 HD1 TRP 100 HD1 TRP 100 -1.871 -9.856 -3.026 769 HE1 TRP 100 HE1 TRP 100 0.260 -10.661 -4.212 770 HE3 TRP 100 HE3 TRP 100 -3.399 -9.324 -7.874 771 HZ2 TRP 100 HZ2 TRP 100 1.171 -11.038 -6.857 772 HZ3 TRP 100 HZ3 TRP 100 -1.841 -9.930 -9.671 773 HH2 TRP 100 HH2 TRP 100 0.397 -10.769 -9.182 774 H ALA 101 H ALA 101 -4.312 -6.343 -4.163 775 HA ALA 101 HA ALA 101 -1.800 -5.470 -3.265 776 HB1 ALA 101 1HB ALA 101 -3.038 -4.354 -5.047 777 HB2 ALA 101 2HB ALA 101 -2.613 -3.216 -3.767 778 HB3 ALA 101 3HB ALA 101 -4.258 -3.839 -3.886 779 H PHE 102 H PHE 102 -4.970 -5.438 -1.795 780 HA PHE 102 HA PHE 102 -4.366 -3.676 0.301 781 HB2 PHE 102 1HB PHE 102 -6.659 -4.165 -0.357 782 HB3 PHE 102 2HB PHE 102 -6.479 -5.831 0.187 783 HD1 PHE 102 HD1 PHE 102 -7.218 -6.364 2.323 784 HD2 PHE 102 HD2 PHE 102 -6.139 -2.345 1.441 785 HE1 PHE 102 HE1 PHE 102 -7.971 -5.672 4.557 786 HE2 PHE 102 HE2 PHE 102 -6.887 -1.646 3.676 787 HZ PHE 102 HZ PHE 102 -7.804 -3.310 5.240 788 H ARG 103 H ARG 103 -3.953 -7.151 -0.080 789 HA ARG 103 HA ARG 103 -3.469 -7.702 2.666 790 HB2 ARG 103 1HB ARG 103 -4.093 -9.496 1.128 791 HB3 ARG 103 2HB ARG 103 -2.608 -9.252 0.223 792 HG2 ARG 103 1HG ARG 103 -1.283 -10.196 1.829 793 HG3 ARG 103 2HG ARG 103 -2.406 -9.815 3.127 794 HD2 ARG 103 1HD ARG 103 -2.218 -12.234 2.610 795 HD3 ARG 103 2HD ARG 103 -3.851 -11.606 2.489 796 HE ARG 103 HE ARG 103 -2.125 -12.159 0.159 797 HH11 ARG 103 1HH1 ARG 103 -5.260 -12.046 1.703 798 HH12 ARG 103 2HH1 ARG 103 -6.075 -12.833 0.377 799 HH21 ARG 103 1HH2 ARG 103 -3.208 -13.212 -1.586 800 HH22 ARG 103 2HH2 ARG 103 -4.925 -13.485 -1.455 801 H GLY 104 H GLY 104 -1.402 -6.857 -0.060 802 HA2 GLY 104 1HA GLY 104 1.084 -7.243 1.236 803 HA3 GLY 104 2HA GLY 104 0.795 -6.170 -0.139 804 H PHE 105 H PHE 105 -0.966 -4.373 0.895 805 HA PHE 105 HA PHE 105 0.719 -2.626 2.319 806 HB2 PHE 105 1HB PHE 105 -0.891 -1.657 0.884 807 HB3 PHE 105 2HB PHE 105 -2.203 -2.562 1.623 808 HD1 PHE 105 HD1 PHE 105 0.498 -0.375 2.970 809 HD2 PHE 105 HD2 PHE 105 -3.684 -1.113 2.647 810 HE1 PHE 105 HE1 PHE 105 0.040 1.558 4.421 811 HE2 PHE 105 HE2 PHE 105 -4.140 0.812 4.103 812 HZ PHE 105 HZ PHE 105 -2.276 2.152 4.992 813 H LYS 106 H LYS 106 -2.113 -4.509 3.278 814 HA LYS 106 HA LYS 106 -2.356 -3.528 5.883 815 HB2 LYS 106 1HB LYS 106 -4.257 -4.577 5.199 816 HB3 LYS 106 2HB LYS 106 -3.401 -5.891 4.403 817 HG2 LYS 106 1HG LYS 106 -2.895 -6.828 6.640 818 HG3 LYS 106 2HG LYS 106 -3.875 -5.538 7.350 819 HD2 LYS 106 1HD LYS 106 -5.823 -6.312 6.124 820 HD3 LYS 106 2HD LYS 106 -4.860 -7.566 5.346 821 HE2 LYS 106 1HE LYS 106 -4.431 -8.571 7.553 822 HE3 LYS 106 2HE LYS 106 -5.446 -7.335 8.296 823 HZ1 LYS 106 1HZ LYS 106 -6.630 -9.422 7.926 824 HZ2 LYS 106 2HZ LYS 106 -6.364 -9.291 6.263 825 HZ3 LYS 106 3HZ LYS 106 -7.330 -8.146 7.058 826 H CYS 107 H CYS 107 -0.623 -6.360 4.635 827 HA CYS 107 HA CYS 107 0.213 -7.423 7.073 828 HB2 CYS 107 1HB CYS 107 0.455 -8.771 5.154 829 HB3 CYS 107 2HB CYS 107 1.362 -7.540 4.284 830 H PHE 108 H PHE 108 1.647 -4.956 5.007 831 HA PHE 108 HA PHE 108 4.116 -4.862 6.432 832 HB2 PHE 108 1HB PHE 108 3.694 -4.283 3.985 833 HB3 PHE 108 2HB PHE 108 3.052 -2.750 4.570 834 HD1 PHE 108 HD1 PHE 108 6.033 -4.784 4.068 835 HD2 PHE 108 HD2 PHE 108 4.539 -1.082 5.546 836 HE1 PHE 108 HE1 PHE 108 8.315 -3.876 4.096 837 HE2 PHE 108 HE2 PHE 108 6.822 -0.170 5.574 838 HZ PHE 108 HZ PHE 108 8.712 -1.568 4.845 839 H GLN 109 H GLN 109 1.255 -2.763 6.272 840 HA GLN 109 HA GLN 109 2.265 -0.817 8.056 841 HB2 GLN 109 1HB GLN 109 0.031 0.107 8.067 842 HB3 GLN 109 2HB GLN 109 0.512 -0.319 6.435 843 HG2 GLN 109 1HG GLN 109 -1.603 -1.108 6.391 844 HG3 GLN 109 2HG GLN 109 -0.803 -2.540 7.040 845 HE21 GLN 109 1HE2 GLN 109 -1.282 -3.218 9.084 846 HE22 GLN 109 2HE2 GLN 109 -2.474 -2.469 10.091 847 H LYS 110 H LYS 110 1.213 -3.932 8.661 848 HA LYS 110 HA LYS 110 -0.196 -3.623 11.077 849 HB2 LYS 110 1HB LYS 110 -0.246 -5.690 9.787 850 HB3 LYS 110 2HB LYS 110 1.470 -5.928 10.064 851 HG2 LYS 110 1HG LYS 110 1.108 -6.231 12.414 852 HG3 LYS 110 2HG LYS 110 -0.610 -5.891 12.229 853 HD2 LYS 110 1HD LYS 110 0.822 -8.174 10.880 854 HD3 LYS 110 2HD LYS 110 -0.042 -8.322 12.409 855 HE2 LYS 110 1HE LYS 110 -1.252 -7.465 9.781 856 HE3 LYS 110 2HE LYS 110 -1.396 -9.066 10.503 857 HZ1 LYS 110 1HZ LYS 110 -3.354 -7.801 10.980 858 HZ2 LYS 110 2HZ LYS 110 -2.446 -6.524 11.614 859 HZ3 LYS 110 3HZ LYS 110 -2.491 -8.009 12.420 860 H ASN 111 H ASN 111 3.246 -3.824 10.350 861 HA ASN 111 HA ASN 111 3.776 -3.203 13.175 862 HB2 ASN 111 1HB ASN 111 5.085 -4.996 13.482 863 HB3 ASN 111 2HB ASN 111 4.367 -5.636 12.015 864 HD21 ASN 111 1HD2 ASN 111 5.544 -5.650 10.112 865 HD22 ASN 111 2HD2 ASN 111 7.249 -5.363 10.083 866 H ASN 112 H ASN 112 4.242 -2.431 9.916 867 HA ASN 112 HA ASN 112 6.436 -0.609 10.640 868 HB2 ASN 112 1HB ASN 112 6.140 -2.303 8.168 869 HB3 ASN 112 2HB ASN 112 7.165 -0.862 8.202 870 HD21 ASN 112 1HD2 ASN 112 7.743 -3.784 7.926 871 HD22 ASN 112 2HD2 ASN 112 8.966 -4.080 9.116 872 H LEU 113 H LEU 113 3.974 0.398 10.922 873 HA LEU 113 HA LEU 113 3.110 1.594 8.432 874 HB2 LEU 113 1HB LEU 113 1.374 0.981 9.951 875 HB3 LEU 113 2HB LEU 113 2.101 1.899 11.253 876 HG LEU 113 HG LEU 113 1.623 3.984 9.965 877 HD11 LEU 113 1HD1 LEU 113 0.006 2.181 8.183 878 HD12 LEU 113 2HD1 LEU 113 1.560 2.880 7.744 879 HD13 LEU 113 3HD1 LEU 113 0.181 3.930 8.060 880 HD21 LEU 113 1HD2 LEU 113 -0.749 2.222 10.544 881 HD22 LEU 113 2HD2 LEU 113 -0.786 3.978 10.394 882 HD23 LEU 113 3HD2 LEU 113 0.107 3.222 11.714 883 H SER 114 H SER 114 5.045 2.434 11.171 884 HA SER 114 HA SER 114 4.995 5.254 10.850 885 HB2 SER 114 1HB SER 114 5.786 4.068 12.918 886 HB3 SER 114 2HB SER 114 7.234 3.585 12.032 887 HG SER 114 HG SER 114 7.945 5.614 12.035 888 H LEU 115 H LEU 115 6.874 2.682 9.393 889 HA LEU 115 HA LEU 115 8.777 4.329 8.086 890 HB2 LEU 115 1HB LEU 115 9.112 1.922 8.419 891 HB3 LEU 115 2HB LEU 115 7.761 1.588 7.356 892 HG LEU 115 HG LEU 115 9.000 2.600 5.477 893 HD11 LEU 115 1HD1 LEU 115 11.409 3.046 5.779 894 HD12 LEU 115 2HD1 LEU 115 11.195 2.838 7.519 895 HD13 LEU 115 3HD1 LEU 115 10.379 4.157 6.683 896 HD21 LEU 115 1HD2 LEU 115 10.568 0.454 6.898 897 HD22 LEU 115 2HD2 LEU 115 10.571 0.797 5.169 898 HD23 LEU 115 3HD2 LEU 115 9.113 0.178 5.943 899 H ILE 116 H ILE 116 5.563 3.198 7.317 900 HA ILE 116 HA ILE 116 5.533 3.948 4.593 901 HB ILE 116 HB ILE 116 3.248 3.625 6.550 902 HG12 ILE 116 1HG1 ILE 116 4.385 1.747 4.461 903 HG13 ILE 116 2HG1 ILE 116 4.568 1.583 6.213 904 HG21 ILE 116 1HG2 ILE 116 3.197 3.838 3.544 905 HG22 ILE 116 2HG2 ILE 116 2.547 5.014 4.690 906 HG23 ILE 116 3HG2 ILE 116 1.822 3.411 4.561 907 HD11 ILE 116 1HD1 ILE 116 2.133 1.305 6.404 908 HD12 ILE 116 2HD1 ILE 116 2.880 0.070 5.394 909 HD13 ILE 116 3HD1 ILE 116 2.003 1.405 4.650 910 H LYS 117 H LYS 117 4.609 5.587 7.574 911 HA LYS 117 HA LYS 117 3.654 7.961 6.385 912 HB2 LYS 117 1HB LYS 117 4.749 7.376 9.132 913 HB3 LYS 117 2HB LYS 117 4.102 8.947 8.676 914 HG2 LYS 117 1HG LYS 117 1.939 7.941 8.200 915 HG3 LYS 117 2HG LYS 117 2.573 6.346 8.595 916 HD2 LYS 117 1HD LYS 117 2.955 7.046 10.898 917 HD3 LYS 117 2HD LYS 117 2.394 8.675 10.513 918 HE2 LYS 117 1HE LYS 117 0.179 7.821 10.010 919 HE3 LYS 117 2HE LYS 117 0.731 6.168 10.275 920 HZ1 LYS 117 1HZ LYS 117 0.633 8.308 12.329 921 HZ2 LYS 117 2HZ LYS 117 1.154 6.720 12.587 922 HZ3 LYS 117 3HZ LYS 117 -0.458 7.025 12.189 923 H ALA 118 H ALA 118 6.830 6.871 7.386 924 HA ALA 118 HA ALA 118 8.170 9.359 6.967 925 HB1 ALA 118 1HB ALA 118 9.043 7.643 8.454 926 HB2 ALA 118 2HB ALA 118 10.205 8.042 7.189 927 HB3 ALA 118 3HB ALA 118 9.257 6.559 7.080 928 H SER 119 H SER 119 7.397 6.605 4.993 929 HA SER 119 HA SER 119 9.165 6.944 2.880 930 HB2 SER 119 1HB SER 119 7.758 4.950 3.215 931 HB3 SER 119 2HB SER 119 6.328 5.887 2.792 932 HG SER 119 HG SER 119 8.542 5.632 1.053 933 H ILE 120 H ILE 120 5.985 8.404 3.416 934 HA ILE 120 HA ILE 120 6.183 9.893 0.913 935 HB ILE 120 HB ILE 120 3.916 10.749 1.536 936 HG12 ILE 120 1HG1 ILE 120 4.070 8.702 3.750 937 HG13 ILE 120 2HG1 ILE 120 4.256 10.435 4.005 938 HG21 ILE 120 1HG2 ILE 120 2.759 8.637 1.101 939 HG22 ILE 120 2HG2 ILE 120 4.243 7.758 1.469 940 HG23 ILE 120 3HG2 ILE 120 4.177 8.831 0.071 941 HD11 ILE 120 1HD1 ILE 120 2.009 9.677 4.537 942 HD12 ILE 120 2HD1 ILE 120 1.813 9.083 2.887 943 HD13 ILE 120 3HD1 ILE 120 2.005 10.810 3.190 944 H LYS 121 H LYS 121 7.424 10.260 3.873 945 HA LYS 121 HA LYS 121 6.823 13.079 4.238 946 HB2 LYS 121 1HB LYS 121 6.868 11.480 6.145 947 HB3 LYS 121 2HB LYS 121 8.588 11.252 5.868 948 HG2 LYS 121 1HG LYS 121 9.011 13.579 6.388 949 HG3 LYS 121 2HG LYS 121 7.281 13.871 6.569 950 HD2 LYS 121 1HD LYS 121 7.263 12.161 8.392 951 HD3 LYS 121 2HD LYS 121 9.023 12.102 8.276 952 HE2 LYS 121 1HE LYS 121 9.100 14.520 8.762 953 HE3 LYS 121 2HE LYS 121 7.348 14.513 8.957 954 HZ1 LYS 121 1HZ LYS 121 7.648 12.877 10.761 955 HZ2 LYS 121 2HZ LYS 121 8.375 14.365 11.094 956 HZ3 LYS 121 3HZ LYS 121 9.325 13.049 10.618 957 H LYS 122 H LYS 122 8.140 14.681 3.651 958 HA LYS 122 HA LYS 122 10.610 14.045 2.269 959 HB2 LYS 122 1HB LYS 122 10.083 16.877 2.684 960 HB3 LYS 122 2HB LYS 122 10.340 15.999 1.199 961 HG2 LYS 122 1HG LYS 122 7.959 15.235 1.315 962 HG3 LYS 122 2HG LYS 122 7.745 16.339 2.676 963 HD2 LYS 122 1HD LYS 122 8.458 18.209 1.234 964 HD3 LYS 122 2HD LYS 122 8.587 17.091 -0.123 965 HE2 LYS 122 1HE LYS 122 6.184 16.567 0.129 966 HE3 LYS 122 2HE LYS 122 6.084 17.759 1.423 967 HZ1 LYS 122 1HZ LYS 122 5.332 18.711 -0.643 968 HZ2 LYS 122 2HZ LYS 122 6.788 18.305 -1.409 969 HZ3 LYS 122 3HZ LYS 122 6.779 19.458 -0.174 970 H ASP 123 H ASP 123 12.620 14.383 2.995 971 HA ASP 123 HA ASP 123 12.974 14.735 5.821 972 HB2 ASP 123 1HB ASP 123 14.326 13.128 4.507 973 HB3 ASP 123 2HB ASP 123 15.065 14.474 3.649 974 H21 ACD 201 H21 ACD 1 -4.347 4.407 1.349 975 H22 ACD 201 H22 ACD 1 -3.347 5.036 2.662 976 H31 ACD 201 H31 ACD 1 -2.022 6.348 1.133 977 H32 ACD 201 H32 ACD 1 -3.123 6.040 -0.201 978 H41 ACD 201 H41 ACD 1 -2.526 3.611 -0.109 979 H42 ACD 201 H42 ACD 1 -1.120 4.638 -0.426 980 H5 ACD 201 H5 ACD 1 -1.660 3.048 2.123 981 H6 ACD 201 H6 ACD 1 0.518 3.830 2.708 982 H71 ACD 201 H71 ACD 1 0.887 5.003 0.051 983 H72 ACD 201 H72 ACD 1 -0.042 6.187 0.975 984 H8 ACD 201 H8 ACD 1 1.866 6.582 2.495 985 H9 ACD 201 H9 ACD 1 3.967 5.598 1.932 986 H101 ACD 201 H101 ACD 1 2.878 4.667 -0.604 987 H102 ACD 201 H102 ACD 1 2.426 3.433 0.572 988 H11 ACD 201 H11 ACD 1 5.389 4.303 0.393 989 H12 ACD 201 H12 ACD 1 5.701 1.959 0.144 990 H131 ACD 201 H131 ACD 1 2.722 1.989 -0.538 991 H132 ACD 201 H132 ACD 1 3.813 0.606 -0.634 992 H14 ACD 201 H14 ACD 1 2.740 1.702 2.064 993 H15 ACD 201 H15 ACD 1 2.595 -0.632 2.528 994 H161 ACD 201 H161 ACD 1 2.729 -1.337 -0.276 995 H162 ACD 201 H162 ACD 1 4.403 -0.984 0.160 996 H171 ACD 201 H171 ACD 1 4.387 -2.660 1.913 997 H172 ACD 201 H172 ACD 1 2.647 -2.910 1.731 998 H181 ACD 201 H181 ACD 1 4.698 -3.463 -0.458 999 H182 ACD 201 H182 ACD 1 2.969 -3.814 -0.532 1000 H191 ACD 201 H191 ACD 1 4.975 -5.047 1.409 1001 H192 ACD 201 H192 ACD 1 3.235 -5.339 1.459 1002 H201 ACD 201 H201 ACD 1 4.397 -7.126 0.244 1003 H202 ACD 201 H202 ACD 1 5.054 -5.980 -0.877 1004 H203 ACD 201 H203 ACD 1 3.347 -6.266 -0.833 Start of MODEL 15 1 H1 MET 1 1H MET 1 11.377 7.705 -16.887 2 H2 MET 1 2H MET 1 11.326 8.480 -18.386 3 H3 MET 1 3H MET 1 11.136 9.376 -16.967 4 HA MET 1 HA MET 1 13.588 7.927 -17.784 5 HB2 MET 1 1HB MET 1 13.157 9.957 -19.128 6 HB3 MET 1 2HB MET 1 13.022 10.898 -17.649 7 HG2 MET 1 1HG MET 1 15.374 10.210 -17.113 8 HG3 MET 1 2HG MET 1 15.467 9.531 -18.734 9 HE1 MET 1 1HE MET 1 13.788 12.841 -17.348 10 HE2 MET 1 2HE MET 1 15.054 14.010 -17.724 11 HE3 MET 1 3HE MET 1 15.354 12.735 -16.543 12 H GLU 2 H GLU 2 12.217 10.367 -15.592 13 HA GLU 2 HA GLU 2 14.271 9.654 -13.615 14 HB2 GLU 2 1HB GLU 2 13.910 11.845 -12.637 15 HB3 GLU 2 2HB GLU 2 14.261 12.021 -14.347 16 HG2 GLU 2 1HG GLU 2 11.491 12.112 -13.170 17 HG3 GLU 2 2HG GLU 2 12.481 13.527 -13.508 18 H PHE 3 H PHE 3 13.700 8.677 -11.807 19 HA PHE 3 HA PHE 3 10.950 8.022 -11.336 20 HB2 PHE 3 1HB PHE 3 12.706 6.410 -10.807 21 HB3 PHE 3 2HB PHE 3 13.392 7.524 -9.619 22 HD1 PHE 3 HD1 PHE 3 10.499 5.384 -10.408 23 HD2 PHE 3 HD2 PHE 3 12.493 7.676 -7.430 24 HE1 PHE 3 HE1 PHE 3 9.040 4.403 -8.685 25 HE2 PHE 3 HE2 PHE 3 11.039 6.698 -5.700 26 HZ PHE 3 HZ PHE 3 9.310 5.060 -6.327 27 H THR 4 H THR 4 9.542 9.140 -10.224 28 HA THR 4 HA THR 4 10.514 11.227 -8.369 29 HB THR 4 HB THR 4 7.696 11.331 -9.253 30 HG1 THR 4 HG1 THR 4 9.573 10.993 -11.096 31 HG21 THR 4 1HG2 THR 4 9.872 13.402 -9.082 32 HG22 THR 4 2HG2 THR 4 8.775 12.970 -7.772 33 HG23 THR 4 3HG2 THR 4 8.139 13.697 -9.250 34 H VAL 5 H VAL 5 10.025 11.069 -6.320 35 HA VAL 5 HA VAL 5 8.533 8.724 -5.435 36 HB VAL 5 HB VAL 5 9.574 8.894 -3.415 37 HG11 VAL 5 1HG1 VAL 5 11.328 8.803 -5.086 38 HG12 VAL 5 2HG1 VAL 5 11.857 9.620 -3.617 39 HG13 VAL 5 3HG1 VAL 5 11.455 10.561 -5.052 40 HG21 VAL 5 1HG2 VAL 5 9.711 11.895 -3.695 41 HG22 VAL 5 2HG2 VAL 5 10.267 10.968 -2.301 42 HG23 VAL 5 3HG2 VAL 5 8.555 10.988 -2.719 43 H SER 6 H SER 6 6.706 8.781 -4.185 44 HA SER 6 HA SER 6 5.039 11.102 -4.748 45 HB2 SER 6 1HB SER 6 4.258 8.429 -3.551 46 HB3 SER 6 2HB SER 6 3.163 9.661 -4.178 47 HG SER 6 HG SER 6 4.807 7.864 -5.546 48 H THR 7 H THR 7 5.230 12.696 -3.273 49 HA THR 7 HA THR 7 5.775 12.102 -0.498 50 HB THR 7 HB THR 7 5.778 14.529 -0.168 51 HG1 THR 7 HG1 THR 7 4.937 14.582 -2.905 52 HG21 THR 7 1HG2 THR 7 7.822 13.473 -0.965 53 HG22 THR 7 2HG2 THR 7 7.651 15.087 -1.655 54 HG23 THR 7 3HG2 THR 7 7.288 13.668 -2.634 55 H THR 8 H THR 8 4.405 13.654 1.072 56 HA THR 8 HA THR 8 1.880 12.499 1.328 57 HB THR 8 HB THR 8 2.748 15.158 2.473 58 HG1 THR 8 HG1 THR 8 4.027 12.979 2.791 59 HG21 THR 8 1HG2 THR 8 0.737 13.104 3.389 60 HG22 THR 8 2HG2 THR 8 0.384 14.719 2.772 61 HG23 THR 8 3HG2 THR 8 1.221 14.528 4.312 62 H GLU 9 H GLU 9 2.855 15.588 -0.090 63 HA GLU 9 HA GLU 9 0.294 16.619 -0.548 64 HB2 GLU 9 1HB GLU 9 2.836 17.115 -2.097 65 HB3 GLU 9 2HB GLU 9 1.383 18.101 -2.178 66 HG2 GLU 9 1HG GLU 9 1.627 18.641 0.192 67 HG3 GLU 9 2HG GLU 9 3.100 17.676 0.253 68 H ASP 10 H ASP 10 2.419 14.672 -2.622 69 HA ASP 10 HA ASP 10 0.700 14.599 -4.866 70 HB2 ASP 10 1HB ASP 10 2.677 12.457 -4.045 71 HB3 ASP 10 2HB ASP 10 2.010 12.726 -5.651 72 H LEU 11 H LEU 11 1.030 12.594 -2.005 73 HA LEU 11 HA LEU 11 -0.484 10.429 -2.840 74 HB2 LEU 11 1HB LEU 11 0.934 10.279 -0.911 75 HB3 LEU 11 2HB LEU 11 -0.041 11.474 -0.045 76 HG LEU 11 HG LEU 11 -1.939 9.872 -0.111 77 HD11 LEU 11 1HD1 LEU 11 -1.545 7.569 -0.733 78 HD12 LEU 11 2HD1 LEU 11 0.112 7.959 -1.199 79 HD13 LEU 11 3HD1 LEU 11 -1.243 8.636 -2.102 80 HD21 LEU 11 1HD2 LEU 11 -0.402 10.020 1.824 81 HD22 LEU 11 2HD2 LEU 11 0.558 8.717 1.119 82 HD23 LEU 11 3HD2 LEU 11 -1.106 8.416 1.618 83 H GLN 12 H GLN 12 -1.509 13.417 -1.240 84 HA GLN 12 HA GLN 12 -4.130 12.563 -0.644 85 HB2 GLN 12 1HB GLN 12 -3.062 15.352 -1.093 86 HB3 GLN 12 2HB GLN 12 -4.663 14.995 -0.468 87 HG2 GLN 12 1HG GLN 12 -3.531 13.784 1.426 88 HG3 GLN 12 2HG GLN 12 -2.011 14.456 0.837 89 HE21 GLN 12 1HE2 GLN 12 -3.360 14.882 3.373 90 HE22 GLN 12 2HE2 GLN 12 -3.628 16.588 3.497 91 H ARG 13 H ARG 13 -2.689 13.871 -3.537 92 HA ARG 13 HA ARG 13 -5.126 14.509 -4.858 93 HB2 ARG 13 1HB ARG 13 -2.983 15.505 -5.511 94 HB3 ARG 13 2HB ARG 13 -2.391 13.927 -6.007 95 HG2 ARG 13 1HG ARG 13 -3.080 15.286 -7.920 96 HG3 ARG 13 2HG ARG 13 -4.068 13.822 -7.765 97 HD2 ARG 13 1HD ARG 13 -5.407 15.812 -8.310 98 HD3 ARG 13 2HD ARG 13 -5.860 15.098 -6.764 99 HE ARG 13 HE ARG 13 -3.948 17.278 -6.632 100 HH11 ARG 13 1HH1 ARG 13 -7.324 16.351 -6.522 101 HH12 ARG 13 2HH1 ARG 13 -7.809 17.748 -5.614 102 HH21 ARG 13 1HH2 ARG 13 -4.583 19.120 -5.444 103 HH22 ARG 13 2HH2 ARG 13 -6.248 19.320 -4.992 104 H TYR 14 H TYR 14 -3.025 11.658 -4.767 105 HA TYR 14 HA TYR 14 -4.389 10.231 -6.807 106 HB2 TYR 14 1HB TYR 14 -2.694 9.157 -4.544 107 HB3 TYR 14 2HB TYR 14 -3.203 8.256 -5.964 108 HD1 TYR 14 HD1 TYR 14 -2.743 10.127 -8.152 109 HD2 TYR 14 HD2 TYR 14 -0.378 9.356 -4.703 110 HE1 TYR 14 HE1 TYR 14 -0.739 10.863 -9.365 111 HE2 TYR 14 HE2 TYR 14 1.628 10.106 -5.902 112 HH TYR 14 HH TYR 14 1.495 11.754 -8.867 113 H ARG 15 H ARG 15 -4.789 10.413 -3.309 114 HA ARG 15 HA ARG 15 -6.573 8.237 -3.092 115 HB2 ARG 15 1HB ARG 15 -6.707 10.594 -1.235 116 HB3 ARG 15 2HB ARG 15 -6.971 8.899 -0.893 117 HG2 ARG 15 1HG ARG 15 -4.498 8.578 -1.457 118 HG3 ARG 15 2HG ARG 15 -4.376 10.331 -1.290 119 HD2 ARG 15 1HD ARG 15 -5.358 8.406 0.813 120 HD3 ARG 15 2HD ARG 15 -3.789 9.204 0.793 121 HE ARG 15 HE ARG 15 -5.645 11.229 0.740 122 HH11 ARG 15 1HH1 ARG 15 -4.985 8.483 2.818 123 HH12 ARG 15 2HH1 ARG 15 -5.452 9.313 4.272 124 HH21 ARG 15 1HH2 ARG 15 -6.257 12.327 2.652 125 HH22 ARG 15 2HH2 ARG 15 -6.143 11.515 4.178 126 H THR 16 H THR 16 -7.062 11.665 -3.697 127 HA THR 16 HA THR 16 -9.878 11.619 -3.631 128 HB THR 16 HB THR 16 -7.921 13.457 -5.012 129 HG1 THR 16 HG1 THR 16 -7.774 14.286 -3.082 130 HG21 THR 16 1HG2 THR 16 -10.889 13.823 -4.602 131 HG22 THR 16 2HG2 THR 16 -10.070 13.593 -6.148 132 HG23 THR 16 3HG2 THR 16 -9.778 15.053 -5.204 133 H GLU 17 H GLU 17 -7.524 11.374 -6.263 134 HA GLU 17 HA GLU 17 -9.212 11.094 -8.429 135 HB2 GLU 17 1HB GLU 17 -6.441 10.371 -7.791 136 HB3 GLU 17 2HB GLU 17 -7.148 9.407 -9.069 137 HG2 GLU 17 1HG GLU 17 -6.995 12.419 -9.007 138 HG3 GLU 17 2HG GLU 17 -5.936 11.349 -9.934 139 H CYS 18 H CYS 18 -8.114 8.629 -6.151 140 HA CYS 18 HA CYS 18 -9.406 6.486 -7.542 141 HB2 CYS 18 1HB CYS 18 -8.117 6.639 -4.820 142 HB3 CYS 18 2HB CYS 18 -8.820 5.164 -5.500 143 H VAL 19 H VAL 19 -10.240 8.631 -4.926 144 HA VAL 19 HA VAL 19 -12.400 7.182 -3.887 145 HB VAL 19 HB VAL 19 -11.600 10.059 -3.778 146 HG11 VAL 19 1HG1 VAL 19 -14.028 10.126 -4.049 147 HG12 VAL 19 2HG1 VAL 19 -13.547 10.590 -2.413 148 HG13 VAL 19 3HG1 VAL 19 -14.209 8.982 -2.715 149 HG21 VAL 19 1HG2 VAL 19 -12.113 7.928 -1.707 150 HG22 VAL 19 2HG2 VAL 19 -11.575 9.574 -1.366 151 HG23 VAL 19 3HG2 VAL 19 -10.537 8.478 -2.279 152 H SER 20 H SER 20 -12.312 9.812 -6.253 153 HA SER 20 HA SER 20 -15.073 9.748 -6.827 154 HB2 SER 20 1HB SER 20 -13.615 11.679 -7.278 155 HB3 SER 20 2HB SER 20 -12.774 10.755 -8.520 156 HG SER 20 HG SER 20 -15.567 11.062 -8.660 157 H SER 21 H SER 21 -12.358 7.914 -8.097 158 HA SER 21 HA SER 21 -13.706 7.052 -10.476 159 HB2 SER 21 1HB SER 21 -11.215 7.224 -10.234 160 HB3 SER 21 2HB SER 21 -11.272 5.837 -9.150 161 HG SER 21 HG SER 21 -11.630 5.969 -11.911 162 H LEU 22 H LEU 22 -12.919 5.515 -7.351 163 HA LEU 22 HA LEU 22 -14.355 3.121 -8.143 164 HB2 LEU 22 1HB LEU 22 -12.757 3.865 -5.703 165 HB3 LEU 22 2HB LEU 22 -13.586 2.314 -5.872 166 HG LEU 22 HG LEU 22 -11.529 3.304 -7.835 167 HD11 LEU 22 1HD1 LEU 22 -11.184 1.500 -5.449 168 HD12 LEU 22 2HD1 LEU 22 -10.474 3.100 -5.666 169 HD13 LEU 22 3HD1 LEU 22 -9.975 1.765 -6.707 170 HD21 LEU 22 1HD2 LEU 22 -12.667 0.570 -7.285 171 HD22 LEU 22 2HD2 LEU 22 -11.455 0.975 -8.504 172 HD23 LEU 22 3HD2 LEU 22 -13.093 1.611 -8.645 173 H ASN 23 H ASN 23 -15.486 5.915 -7.272 174 HA ASN 23 HA ASN 23 -17.326 6.748 -6.230 175 HB2 ASN 23 1HB ASN 23 -18.309 4.970 -7.718 176 HB3 ASN 23 2HB ASN 23 -18.374 3.926 -6.313 177 HD21 ASN 23 1HD2 ASN 23 -18.957 7.392 -6.346 178 HD22 ASN 23 2HD2 ASN 23 -20.631 7.289 -5.912 179 H ILE 24 H ILE 24 -15.242 6.095 -4.499 180 HA ILE 24 HA ILE 24 -16.035 4.572 -2.260 181 HB ILE 24 HB ILE 24 -14.052 6.850 -2.304 182 HG12 ILE 24 1HG1 ILE 24 -13.549 5.196 -4.079 183 HG13 ILE 24 2HG1 ILE 24 -12.333 5.185 -2.805 184 HG21 ILE 24 1HG2 ILE 24 -14.290 4.446 -0.495 185 HG22 ILE 24 2HG2 ILE 24 -14.686 6.110 -0.069 186 HG23 ILE 24 3HG2 ILE 24 -13.017 5.667 -0.429 187 HD11 ILE 24 1HD1 ILE 24 -12.861 2.936 -3.541 188 HD12 ILE 24 2HD1 ILE 24 -14.563 3.192 -3.151 189 HD13 ILE 24 3HD1 ILE 24 -13.357 3.171 -1.863 190 HA PRO 25 HA PRO 25 -18.983 7.491 -0.516 191 HB2 PRO 25 1HB PRO 25 -18.742 5.757 1.842 192 HB3 PRO 25 2HB PRO 25 -20.166 6.155 0.879 193 HG2 PRO 25 1HG PRO 25 -19.019 3.726 0.818 194 HG3 PRO 25 2HG PRO 25 -19.818 4.443 -0.592 195 HD2 PRO 25 1HD PRO 25 -16.901 4.190 0.013 196 HD3 PRO 25 2HD PRO 25 -17.753 4.059 -1.547 197 H ALA 26 H ALA 26 -18.813 9.170 0.833 198 HA ALA 26 HA ALA 26 -16.316 10.141 1.573 199 HB1 ALA 26 1HB ALA 26 -18.308 11.528 1.220 200 HB2 ALA 26 2HB ALA 26 -17.525 11.879 2.762 201 HB3 ALA 26 3HB ALA 26 -18.996 10.906 2.720 202 H ASP 27 H ASP 27 -18.651 8.270 3.397 203 HA ASP 27 HA ASP 27 -17.742 8.462 5.981 204 HB2 ASP 27 1HB ASP 27 -18.742 6.031 4.492 205 HB3 ASP 27 2HB ASP 27 -18.434 6.031 6.223 206 H TYR 28 H TYR 28 -16.598 6.081 3.576 207 HA TYR 28 HA TYR 28 -14.527 5.066 5.147 208 HB2 TYR 28 1HB TYR 28 -15.127 5.038 2.217 209 HB3 TYR 28 2HB TYR 28 -13.592 4.392 2.800 210 HD1 TYR 28 HD1 TYR 28 -13.506 2.288 3.960 211 HD2 TYR 28 HD2 TYR 28 -17.259 4.004 2.914 212 HE1 TYR 28 HE1 TYR 28 -14.621 0.169 4.515 213 HE2 TYR 28 HE2 TYR 28 -18.384 1.885 3.463 214 HH TYR 28 HH TYR 28 -16.764 -0.678 5.111 215 H VAL 29 H VAL 29 -14.628 7.773 2.910 216 HA VAL 29 HA VAL 29 -11.889 8.210 2.596 217 HB VAL 29 HB VAL 29 -14.072 10.279 2.595 218 HG11 VAL 29 1HG1 VAL 29 -12.509 11.478 1.067 219 HG12 VAL 29 2HG1 VAL 29 -11.282 10.272 1.463 220 HG13 VAL 29 3HG1 VAL 29 -11.921 11.328 2.723 221 HG21 VAL 29 1HG2 VAL 29 -14.069 9.916 0.153 222 HG22 VAL 29 2HG2 VAL 29 -14.596 8.498 1.061 223 HG23 VAL 29 3HG2 VAL 29 -12.966 8.560 0.389 224 H GLU 30 H GLU 30 -14.141 9.458 5.061 225 HA GLU 30 HA GLU 30 -12.373 11.167 6.417 226 HB2 GLU 30 1HB GLU 30 -14.394 9.512 7.899 227 HB3 GLU 30 2HB GLU 30 -13.869 11.165 8.195 228 HG2 GLU 30 1HG GLU 30 -14.974 11.850 6.110 229 HG3 GLU 30 2HG GLU 30 -15.599 10.212 5.941 230 H LYS 31 H LYS 31 -12.814 7.705 6.586 231 HA LYS 31 HA LYS 31 -11.259 7.250 8.908 232 HB2 LYS 31 1HB LYS 31 -11.802 5.355 6.621 233 HB3 LYS 31 2HB LYS 31 -11.241 4.914 8.227 234 HG2 LYS 31 1HG LYS 31 -13.356 5.853 9.147 235 HG3 LYS 31 2HG LYS 31 -13.909 6.088 7.491 236 HD2 LYS 31 1HD LYS 31 -13.592 3.653 7.096 237 HD3 LYS 31 2HD LYS 31 -13.196 3.473 8.819 238 HE2 LYS 31 1HE LYS 31 -15.802 4.543 7.716 239 HE3 LYS 31 2HE LYS 31 -15.556 2.921 8.366 240 HZ1 LYS 31 1HZ LYS 31 -15.011 3.915 10.508 241 HZ2 LYS 31 2HZ LYS 31 -16.556 4.381 10.001 242 HZ3 LYS 31 3HZ LYS 31 -15.264 5.464 9.877 243 H PHE 32 H PHE 32 -10.519 7.024 5.448 244 HA PHE 32 HA PHE 32 -7.870 6.175 5.676 245 HB2 PHE 32 1HB PHE 32 -9.006 7.890 3.468 246 HB3 PHE 32 2HB PHE 32 -7.615 6.818 3.363 247 HD1 PHE 32 HD1 PHE 32 -8.897 4.515 4.928 248 HD2 PHE 32 HD2 PHE 32 -10.267 6.926 1.702 249 HE1 PHE 32 HE1 PHE 32 -10.366 2.689 4.191 250 HE2 PHE 32 HE2 PHE 32 -11.738 5.100 0.961 251 HZ PHE 32 HZ PHE 32 -11.789 2.977 2.205 252 H LYS 33 H LYS 33 -9.296 9.354 5.855 253 HA LYS 33 HA LYS 33 -6.865 10.813 5.605 254 HB2 LYS 33 1HB LYS 33 -9.412 11.552 5.421 255 HB3 LYS 33 2HB LYS 33 -9.175 11.924 7.125 256 HG2 LYS 33 1HG LYS 33 -7.322 13.384 6.594 257 HG3 LYS 33 2HG LYS 33 -7.463 12.973 4.878 258 HD2 LYS 33 1HD LYS 33 -9.804 13.892 4.963 259 HD3 LYS 33 2HD LYS 33 -9.438 14.480 6.587 260 HE2 LYS 33 1HE LYS 33 -7.997 15.226 4.046 261 HE3 LYS 33 2HE LYS 33 -9.115 16.245 4.949 262 HZ1 LYS 33 1HZ LYS 33 -7.585 16.245 6.802 263 HZ2 LYS 33 2HZ LYS 33 -6.803 16.797 5.411 264 HZ3 LYS 33 3HZ LYS 33 -6.520 15.229 5.973 265 H LYS 34 H LYS 34 -8.084 8.859 8.070 266 HA LYS 34 HA LYS 34 -6.292 10.143 10.015 267 HB2 LYS 34 1HB LYS 34 -8.862 8.646 10.457 268 HB3 LYS 34 2HB LYS 34 -7.732 9.000 11.760 269 HG2 LYS 34 1HG LYS 34 -7.991 11.393 11.312 270 HG3 LYS 34 2HG LYS 34 -9.133 11.021 10.021 271 HD2 LYS 34 1HD LYS 34 -9.485 10.339 12.940 272 HD3 LYS 34 2HD LYS 34 -10.281 11.662 12.086 273 HE2 LYS 34 1HE LYS 34 -11.317 9.990 10.572 274 HE3 LYS 34 2HE LYS 34 -10.601 8.711 11.551 275 HZ1 LYS 34 1HZ LYS 34 -12.871 9.093 12.203 276 HZ2 LYS 34 2HZ LYS 34 -12.564 10.733 12.480 277 HZ3 LYS 34 3HZ LYS 34 -11.842 9.561 13.462 278 H TRP 35 H TRP 35 -5.851 8.054 7.923 279 HA TRP 35 HA TRP 35 -4.757 6.103 7.607 280 HB2 TRP 35 1HB TRP 35 -3.782 6.800 10.372 281 HB3 TRP 35 2HB TRP 35 -3.148 5.431 9.449 282 HD1 TRP 35 HD1 TRP 35 -3.029 9.223 9.665 283 HE1 TRP 35 HE1 TRP 35 -1.180 10.098 8.106 284 HE3 TRP 35 HE3 TRP 35 -1.918 4.879 7.206 285 HZ2 TRP 35 HZ2 TRP 35 0.515 9.085 6.102 286 HZ3 TRP 35 HZ3 TRP 35 -0.171 4.919 5.481 287 HH2 TRP 35 HH2 TRP 35 1.026 6.971 4.936 288 H GLU 36 H GLU 36 -7.380 5.703 8.268 289 HA GLU 36 HA GLU 36 -7.253 3.212 9.826 290 HB2 GLU 36 1HB GLU 36 -9.511 5.184 9.542 291 HB3 GLU 36 2HB GLU 36 -9.739 3.554 10.159 292 HG2 GLU 36 1HG GLU 36 -8.194 4.041 11.983 293 HG3 GLU 36 2HG GLU 36 -7.974 5.669 11.350 294 H PHE 37 H PHE 37 -7.386 1.498 8.593 295 HA PHE 37 HA PHE 37 -8.914 1.680 6.081 296 HB2 PHE 37 1HB PHE 37 -6.393 0.052 6.532 297 HB3 PHE 37 2HB PHE 37 -7.253 0.254 5.007 298 HD1 PHE 37 HD1 PHE 37 -7.025 2.279 3.712 299 HD2 PHE 37 HD2 PHE 37 -5.047 1.846 7.460 300 HE1 PHE 37 HE1 PHE 37 -5.646 4.247 3.213 301 HE2 PHE 37 HE2 PHE 37 -3.664 3.812 6.961 302 HZ PHE 37 HZ PHE 37 -3.962 5.018 4.838 303 HA PRO 38 HA PRO 38 -10.861 -1.622 8.678 304 HB2 PRO 38 1HB PRO 38 -13.075 -0.913 6.839 305 HB3 PRO 38 2HB PRO 38 -13.079 -1.115 8.601 306 HG2 PRO 38 1HG PRO 38 -13.237 1.311 7.541 307 HG3 PRO 38 2HG PRO 38 -12.240 1.015 8.978 308 HD2 PRO 38 1HD PRO 38 -11.371 1.291 6.110 309 HD3 PRO 38 2HD PRO 38 -10.642 1.988 7.591 310 H GLU 39 H GLU 39 -11.292 -3.700 8.158 311 HA GLU 39 HA GLU 39 -10.391 -4.663 5.631 312 HB2 GLU 39 1HB GLU 39 -10.007 -5.910 7.698 313 HB3 GLU 39 2HB GLU 39 -11.740 -6.122 7.904 314 HG2 GLU 39 1HG GLU 39 -11.846 -7.450 5.887 315 HG3 GLU 39 2HG GLU 39 -10.125 -7.187 5.601 316 H ASP 40 H ASP 40 -11.708 -3.823 4.103 317 HA ASP 40 HA ASP 40 -14.224 -5.175 3.671 318 HB2 ASP 40 1HB ASP 40 -14.995 -3.271 5.010 319 HB3 ASP 40 2HB ASP 40 -14.128 -2.154 3.957 320 H ASP 41 H ASP 41 -14.874 -5.083 1.511 321 HA ASP 41 HA ASP 41 -12.707 -5.165 -0.269 322 HB2 ASP 41 1HB ASP 41 -14.331 -5.630 -2.025 323 HB3 ASP 41 2HB ASP 41 -14.712 -6.555 -0.579 324 H THR 42 H THR 42 -14.912 -2.584 0.524 325 HA THR 42 HA THR 42 -14.517 -0.926 -1.721 326 HB THR 42 HB THR 42 -14.899 -0.014 1.131 327 HG1 THR 42 HG1 THR 42 -16.588 -1.336 0.884 328 HG21 THR 42 1HG2 THR 42 -14.399 1.781 -0.405 329 HG22 THR 42 2HG2 THR 42 -16.102 1.852 0.048 330 HG23 THR 42 3HG2 THR 42 -15.633 1.206 -1.525 331 H THR 43 H THR 43 -12.970 -0.786 1.478 332 HA THR 43 HA THR 43 -10.964 1.040 0.944 333 HB THR 43 HB THR 43 -10.751 -1.344 2.785 334 HG1 THR 43 HG1 THR 43 -11.590 0.314 4.330 335 HG21 THR 43 1HG2 THR 43 -8.649 -0.193 2.574 336 HG22 THR 43 2HG2 THR 43 -9.358 0.232 4.135 337 HG23 THR 43 3HG2 THR 43 -9.435 1.371 2.789 338 H MET 44 H MET 44 -11.109 -2.400 0.303 339 HA MET 44 HA MET 44 -8.359 -2.823 -0.133 340 HB2 MET 44 1HB MET 44 -10.737 -4.351 -1.178 341 HB3 MET 44 2HB MET 44 -9.075 -4.919 -1.233 342 HG2 MET 44 1HG MET 44 -8.968 -4.896 1.193 343 HG3 MET 44 2HG MET 44 -10.620 -4.289 1.269 344 HE1 MET 44 1HE MET 44 -10.987 -7.918 2.630 345 HE2 MET 44 2HE MET 44 -11.273 -6.202 2.933 346 HE3 MET 44 3HE MET 44 -9.623 -6.825 2.879 347 H CYS 45 H CYS 45 -11.029 -2.347 -2.451 348 HA CYS 45 HA CYS 45 -9.386 -2.361 -4.743 349 HB2 CYS 45 1HB CYS 45 -12.084 -1.043 -4.354 350 HB3 CYS 45 2HB CYS 45 -11.307 -1.339 -5.904 351 H TYR 46 H TYR 46 -10.288 0.113 -2.476 352 HA TYR 46 HA TYR 46 -9.472 2.382 -3.887 353 HB2 TYR 46 1HB TYR 46 -10.762 2.741 -1.968 354 HB3 TYR 46 2HB TYR 46 -9.752 1.695 -0.976 355 HD1 TYR 46 HD1 TYR 46 -8.185 2.639 0.435 356 HD2 TYR 46 HD2 TYR 46 -9.652 4.934 -2.837 357 HE1 TYR 46 HE1 TYR 46 -6.997 4.610 1.295 358 HE2 TYR 46 HE2 TYR 46 -8.469 6.911 -1.980 359 HH TYR 46 HH TYR 46 -6.257 6.713 0.739 360 H ILE 47 H ILE 47 -7.715 0.238 -1.689 361 HA ILE 47 HA ILE 47 -5.311 1.662 -1.670 362 HB ILE 47 HB ILE 47 -5.887 -1.235 -1.127 363 HG12 ILE 47 1HG1 ILE 47 -6.851 0.334 0.480 364 HG13 ILE 47 2HG1 ILE 47 -5.523 -0.547 1.233 365 HG21 ILE 47 1HG2 ILE 47 -3.590 -1.116 -1.858 366 HG22 ILE 47 2HG2 ILE 47 -3.636 -1.358 -0.112 367 HG23 ILE 47 3HG2 ILE 47 -3.280 0.238 -0.773 368 HD11 ILE 47 1HD1 ILE 47 -5.371 1.720 1.918 369 HD12 ILE 47 2HD1 ILE 47 -5.531 2.300 0.262 370 HD13 ILE 47 3HD1 ILE 47 -4.068 1.448 0.758 371 H LYS 48 H LYS 48 -6.404 -0.960 -3.853 372 HA LYS 48 HA LYS 48 -3.892 -1.266 -5.098 373 HB2 LYS 48 1HB LYS 48 -5.676 -1.810 -7.144 374 HB3 LYS 48 2HB LYS 48 -5.000 -2.981 -6.040 375 HG2 LYS 48 1HG LYS 48 -6.921 -2.994 -4.711 376 HG3 LYS 48 2HG LYS 48 -7.524 -1.492 -5.419 377 HD2 LYS 48 1HD LYS 48 -7.181 -4.074 -6.943 378 HD3 LYS 48 2HD LYS 48 -8.703 -3.539 -6.233 379 HE2 LYS 48 1HE LYS 48 -8.633 -1.520 -7.619 380 HE3 LYS 48 2HE LYS 48 -7.116 -2.059 -8.333 381 HZ1 LYS 48 1HZ LYS 48 -8.942 -2.566 -9.782 382 HZ2 LYS 48 2HZ LYS 48 -9.742 -3.421 -8.565 383 HZ3 LYS 48 3HZ LYS 48 -8.287 -4.010 -9.197 384 H CYS 49 H CYS 49 -6.707 0.734 -5.935 385 HA CYS 49 HA CYS 49 -5.726 1.830 -8.287 386 HB2 CYS 49 1HB CYS 49 -7.993 2.190 -7.768 387 HB3 CYS 49 2HB CYS 49 -7.620 2.951 -6.223 388 H VAL 50 H VAL 50 -5.360 3.023 -4.943 389 HA VAL 50 HA VAL 50 -3.952 5.352 -5.577 390 HB VAL 50 HB VAL 50 -3.973 3.706 -3.051 391 HG11 VAL 50 1HG1 VAL 50 -2.894 6.484 -3.516 392 HG12 VAL 50 2HG1 VAL 50 -1.958 5.050 -3.086 393 HG13 VAL 50 3HG1 VAL 50 -3.115 5.727 -1.937 394 HG21 VAL 50 1HG2 VAL 50 -5.463 5.524 -2.266 395 HG22 VAL 50 2HG2 VAL 50 -6.132 4.571 -3.591 396 HG23 VAL 50 3HG2 VAL 50 -5.459 6.167 -3.907 397 H PHE 51 H PHE 51 -2.859 2.136 -4.635 398 HA PHE 51 HA PHE 51 -0.108 2.687 -4.649 399 HB2 PHE 51 1HB PHE 51 -1.811 0.242 -4.664 400 HB3 PHE 51 2HB PHE 51 -0.102 0.056 -5.050 401 HD1 PHE 51 HD1 PHE 51 0.236 -1.344 -3.103 402 HD2 PHE 51 HD2 PHE 51 -1.206 2.644 -2.711 403 HE1 PHE 51 HE1 PHE 51 0.730 -1.403 -0.693 404 HE2 PHE 51 HE2 PHE 51 -0.710 2.589 -0.306 405 HZ PHE 51 HZ PHE 51 0.257 0.567 0.707 406 H ASN 52 H ASN 52 -2.384 1.997 -7.135 407 HA ASN 52 HA ASN 52 -0.462 1.263 -9.157 408 HB2 ASN 52 1HB ASN 52 -2.793 0.423 -9.195 409 HB3 ASN 52 2HB ASN 52 -3.374 2.077 -9.408 410 HD21 ASN 52 1HD2 ASN 52 -0.540 0.649 -10.953 411 HD22 ASN 52 2HD2 ASN 52 -1.163 0.741 -12.564 412 H LYS 53 H LYS 53 -2.244 4.114 -8.171 413 HA LYS 53 HA LYS 53 -1.491 5.779 -10.338 414 HB2 LYS 53 1HB LYS 53 -2.578 6.269 -7.589 415 HB3 LYS 53 2HB LYS 53 -2.107 7.619 -8.612 416 HG2 LYS 53 1HG LYS 53 -4.181 5.527 -9.267 417 HG3 LYS 53 2HG LYS 53 -4.510 7.168 -8.712 418 HD2 LYS 53 1HD LYS 53 -3.407 8.047 -10.736 419 HD3 LYS 53 2HD LYS 53 -3.137 6.391 -11.288 420 HE2 LYS 53 1HE LYS 53 -5.584 6.023 -11.234 421 HE3 LYS 53 2HE LYS 53 -5.799 7.718 -10.803 422 HZ1 LYS 53 1HZ LYS 53 -4.518 6.742 -13.296 423 HZ2 LYS 53 2HZ LYS 53 -4.802 8.358 -12.888 424 HZ3 LYS 53 3HZ LYS 53 -6.102 7.320 -13.174 425 H MET 54 H MET 54 -0.013 4.848 -7.361 426 HA MET 54 HA MET 54 1.963 6.973 -7.468 427 HB2 MET 54 1HB MET 54 1.413 4.756 -5.504 428 HB3 MET 54 2HB MET 54 2.792 5.845 -5.356 429 HG2 MET 54 1HG MET 54 1.402 7.706 -5.031 430 HG3 MET 54 2HG MET 54 -0.031 6.830 -5.556 431 HE1 MET 54 1HE MET 54 2.004 6.628 -1.458 432 HE2 MET 54 2HE MET 54 2.440 7.662 -2.817 433 HE3 MET 54 3HE MET 54 2.861 5.949 -2.843 434 H GLN 55 H GLN 55 1.622 4.292 -9.162 435 HA GLN 55 HA GLN 55 2.921 2.817 -10.237 436 HB2 GLN 55 1HB GLN 55 4.775 5.106 -9.778 437 HB3 GLN 55 2HB GLN 55 5.380 3.642 -10.560 438 HG2 GLN 55 1HG GLN 55 3.719 3.881 -12.302 439 HG3 GLN 55 2HG GLN 55 3.033 5.276 -11.481 440 HE21 GLN 55 1HE2 GLN 55 3.388 6.634 -13.232 441 HE22 GLN 55 2HE2 GLN 55 4.970 7.179 -13.675 442 H LEU 56 H LEU 56 2.475 1.982 -7.755 443 HA LEU 56 HA LEU 56 5.061 1.036 -6.768 444 HB2 LEU 56 1HB LEU 56 2.876 2.425 -5.397 445 HB3 LEU 56 2HB LEU 56 3.431 0.979 -4.540 446 HG LEU 56 HG LEU 56 5.143 3.314 -5.399 447 HD11 LEU 56 1HD1 LEU 56 3.635 3.949 -3.606 448 HD12 LEU 56 2HD1 LEU 56 5.277 3.797 -2.990 449 HD13 LEU 56 3HD1 LEU 56 4.100 2.523 -2.682 450 HD21 LEU 56 1HD2 LEU 56 6.820 2.251 -3.910 451 HD22 LEU 56 2HD2 LEU 56 6.457 1.308 -5.356 452 HD23 LEU 56 3HD2 LEU 56 5.765 0.843 -3.802 453 H PHE 57 H PHE 57 1.918 0.258 -7.807 454 HA PHE 57 HA PHE 57 2.388 -2.577 -7.260 455 HB2 PHE 57 1HB PHE 57 0.900 -1.922 -5.453 456 HB3 PHE 57 2HB PHE 57 -0.158 -1.084 -6.576 457 HD1 PHE 57 HD1 PHE 57 -1.838 -2.234 -7.792 458 HD2 PHE 57 HD2 PHE 57 0.974 -4.403 -5.439 459 HE1 PHE 57 HE1 PHE 57 -3.212 -4.259 -8.021 460 HE2 PHE 57 HE2 PHE 57 -0.396 -6.432 -5.671 461 HZ PHE 57 HZ PHE 57 -2.492 -6.361 -6.962 462 H ASP 58 H ASP 58 1.731 -3.887 -8.879 463 HA ASP 58 HA ASP 58 0.330 -2.628 -11.146 464 HB2 ASP 58 1HB ASP 58 2.655 -3.100 -11.724 465 HB3 ASP 58 2HB ASP 58 2.480 -4.763 -11.180 466 H ASP 59 H ASP 59 -1.308 -3.822 -12.124 467 HA ASP 59 HA ASP 59 -2.715 -5.520 -10.298 468 HB2 ASP 59 1HB ASP 59 -4.503 -5.483 -11.890 469 HB3 ASP 59 2HB ASP 59 -3.800 -3.880 -11.861 470 H THR 60 H THR 60 -0.357 -6.150 -12.586 471 HA THR 60 HA THR 60 -1.282 -8.909 -12.975 472 HB THR 60 HB THR 60 0.582 -7.162 -14.565 473 HG1 THR 60 HG1 THR 60 -1.928 -7.342 -14.711 474 HG21 THR 60 1HG2 THR 60 1.537 -9.402 -14.454 475 HG22 THR 60 2HG2 THR 60 0.921 -9.059 -16.072 476 HG23 THR 60 3HG2 THR 60 0.003 -10.096 -14.978 477 H GLU 61 H GLU 61 1.729 -7.042 -12.561 478 HA GLU 61 HA GLU 61 3.178 -9.406 -11.735 479 HB2 GLU 61 1HB GLU 61 4.213 -6.585 -11.631 480 HB3 GLU 61 2HB GLU 61 5.112 -8.085 -11.799 481 HG2 GLU 61 1HG GLU 61 4.142 -8.420 -14.016 482 HG3 GLU 61 2HG GLU 61 3.295 -6.884 -13.861 483 H GLY 62 H GLY 62 1.244 -7.185 -10.101 484 HA2 GLY 62 1HA GLY 62 0.720 -7.203 -7.833 485 HA3 GLY 62 2HA GLY 62 2.068 -8.315 -7.570 486 HA PRO 63 HA PRO 63 3.265 -4.351 -5.503 487 HB2 PRO 63 1HB PRO 63 4.907 -6.307 -3.999 488 HB3 PRO 63 2HB PRO 63 3.843 -5.027 -3.399 489 HG2 PRO 63 1HG PRO 63 3.166 -7.624 -3.244 490 HG3 PRO 63 2HG PRO 63 1.964 -6.348 -3.516 491 HD2 PRO 63 1HD PRO 63 3.148 -8.294 -5.456 492 HD3 PRO 63 2HD PRO 63 1.494 -7.634 -5.379 493 H LEU 64 H LEU 64 4.777 -3.212 -6.505 494 HA LEU 64 HA LEU 64 6.946 -4.535 -7.902 495 HB2 LEU 64 1HB LEU 64 6.432 -1.568 -7.664 496 HB3 LEU 64 2HB LEU 64 7.435 -2.385 -8.847 497 HG LEU 64 HG LEU 64 4.443 -2.709 -8.664 498 HD11 LEU 64 1HD1 LEU 64 6.106 -1.081 -10.577 499 HD12 LEU 64 2HD1 LEU 64 5.005 -0.450 -9.352 500 HD13 LEU 64 3HD1 LEU 64 4.374 -1.374 -10.716 501 HD21 LEU 64 1HD2 LEU 64 5.650 -4.641 -9.567 502 HD22 LEU 64 2HD2 LEU 64 6.403 -3.591 -10.769 503 HD23 LEU 64 3HD2 LEU 64 4.656 -3.841 -10.787 504 H VAL 65 H VAL 65 8.245 -5.341 -6.371 505 HA VAL 65 HA VAL 65 8.906 -4.338 -3.915 506 HB VAL 65 HB VAL 65 10.557 -6.076 -5.732 507 HG11 VAL 65 1HG1 VAL 65 10.887 -5.576 -2.773 508 HG12 VAL 65 2HG1 VAL 65 11.993 -5.054 -4.046 509 HG13 VAL 65 3HG1 VAL 65 11.769 -6.774 -3.722 510 HG21 VAL 65 1HG2 VAL 65 8.426 -7.039 -5.196 511 HG22 VAL 65 2HG2 VAL 65 8.648 -6.679 -3.485 512 HG23 VAL 65 3HG2 VAL 65 9.674 -7.876 -4.276 513 H ASP 66 H ASP 66 10.644 -3.768 -6.969 514 HA ASP 66 HA ASP 66 12.865 -2.476 -5.872 515 HB2 ASP 66 1HB ASP 66 12.782 -3.273 -8.173 516 HB3 ASP 66 2HB ASP 66 11.593 -2.042 -8.573 517 H ASN 67 H ASN 67 9.965 -0.966 -7.338 518 HA ASN 67 HA ASN 67 10.617 1.666 -6.615 519 HB2 ASN 67 1HB ASN 67 7.970 0.358 -7.209 520 HB3 ASN 67 2HB ASN 67 8.118 2.069 -6.841 521 HD21 ASN 67 1HD2 ASN 67 7.347 2.639 -8.865 522 HD22 ASN 67 2HD2 ASN 67 8.322 2.496 -10.289 523 H LEU 68 H LEU 68 8.963 -0.894 -4.910 524 HA LEU 68 HA LEU 68 7.904 0.574 -2.783 525 HB2 LEU 68 1HB LEU 68 8.684 -2.285 -3.171 526 HB3 LEU 68 2HB LEU 68 8.236 -1.723 -1.568 527 HG LEU 68 HG LEU 68 6.448 -1.305 -3.948 528 HD11 LEU 68 1HD1 LEU 68 5.234 -3.306 -3.300 529 HD12 LEU 68 2HD1 LEU 68 6.415 -3.632 -2.030 530 HD13 LEU 68 3HD1 LEU 68 6.898 -3.709 -3.723 531 HD21 LEU 68 1HD2 LEU 68 5.937 -1.410 -0.985 532 HD22 LEU 68 2HD2 LEU 68 4.731 -1.111 -2.238 533 HD23 LEU 68 3HD2 LEU 68 6.029 0.051 -1.964 534 H VAL 69 H VAL 69 11.052 -0.976 -3.174 535 HA VAL 69 HA VAL 69 12.048 -0.247 -0.613 536 HB VAL 69 HB VAL 69 13.535 -0.962 -3.134 537 HG11 VAL 69 1HG1 VAL 69 14.984 0.202 -1.604 538 HG12 VAL 69 2HG1 VAL 69 15.377 -1.518 -1.585 539 HG13 VAL 69 3HG1 VAL 69 14.435 -0.810 -0.269 540 HG21 VAL 69 1HG2 VAL 69 13.665 -3.185 -2.218 541 HG22 VAL 69 2HG2 VAL 69 11.974 -2.693 -2.318 542 HG23 VAL 69 3HG2 VAL 69 12.812 -2.671 -0.764 543 H HIS 70 H HIS 70 12.361 1.195 -3.857 544 HA HIS 70 HA HIS 70 14.127 3.260 -3.110 545 HB2 HIS 70 1HB HIS 70 12.185 2.968 -5.382 546 HB3 HIS 70 2HB HIS 70 13.109 4.449 -5.161 547 HD1 HIS 70 HD1 HIS 70 15.668 4.332 -5.594 548 HD2 HIS 70 HD2 HIS 70 13.633 0.793 -6.361 549 HE1 HIS 70 HE1 HIS 70 17.258 2.913 -6.921 550 HE2 HIS 70 HE2 HIS 70 15.913 0.890 -7.572 551 H GLN 71 H GLN 71 10.725 2.904 -2.681 552 HA GLN 71 HA GLN 71 10.313 5.722 -2.068 553 HB2 GLN 71 1HB GLN 71 8.614 4.309 -3.280 554 HB3 GLN 71 2HB GLN 71 8.377 3.421 -1.781 555 HG2 GLN 71 1HG GLN 71 6.636 5.073 -2.076 556 HG3 GLN 71 2HG GLN 71 7.628 5.447 -0.672 557 HE21 GLN 71 1HE2 GLN 71 8.872 7.275 -0.657 558 HE22 GLN 71 2HE2 GLN 71 8.714 8.523 -1.836 559 H LEU 72 H LEU 72 9.762 2.652 -0.354 560 HA LEU 72 HA LEU 72 9.257 3.838 2.128 561 HB2 LEU 72 1HB LEU 72 10.094 1.037 1.424 562 HB3 LEU 72 2HB LEU 72 9.669 1.529 3.050 563 HG LEU 72 HG LEU 72 7.813 1.704 0.676 564 HD11 LEU 72 1HD1 LEU 72 8.339 -0.623 1.213 565 HD12 LEU 72 2HD1 LEU 72 6.679 -0.232 1.670 566 HD13 LEU 72 3HD1 LEU 72 7.935 -0.331 2.906 567 HD21 LEU 72 1HD2 LEU 72 7.407 2.135 3.630 568 HD22 LEU 72 2HD2 LEU 72 6.089 1.934 2.475 569 HD23 LEU 72 3HD2 LEU 72 7.186 3.306 2.329 570 H ALA 73 H ALA 73 12.231 2.372 0.851 571 HA ALA 73 HA ALA 73 13.697 2.730 3.268 572 HB1 ALA 73 1HB ALA 73 14.147 0.945 1.633 573 HB2 ALA 73 2HB ALA 73 15.579 1.884 2.057 574 HB3 ALA 73 3HB ALA 73 14.762 2.165 0.518 575 H HIS 74 H HIS 74 12.548 5.183 2.309 576 HA HIS 74 HA HIS 74 14.545 6.835 1.120 577 HB2 HIS 74 1HB HIS 74 12.077 7.309 1.072 578 HB3 HIS 74 2HB HIS 74 12.160 7.682 2.791 579 HD1 HIS 74 HD1 HIS 74 12.782 10.026 3.412 580 HD2 HIS 74 HD2 HIS 74 13.546 9.179 -0.590 581 HE1 HIS 74 HE1 HIS 74 13.355 12.232 2.347 582 HE2 HIS 74 HE2 HIS 74 13.910 11.678 -0.045 583 H GLY 75 H GLY 75 16.420 6.428 2.367 584 HA2 GLY 75 1HA GLY 75 17.906 7.374 3.942 585 HA3 GLY 75 2HA GLY 75 16.525 7.927 4.879 586 H ARG 76 H ARG 76 17.073 4.679 3.629 587 HA ARG 76 HA ARG 76 17.825 3.637 6.221 588 HB2 ARG 76 1HB ARG 76 15.076 3.455 5.204 589 HB3 ARG 76 2HB ARG 76 15.765 1.920 5.704 590 HG2 ARG 76 1HG ARG 76 16.349 3.025 7.885 591 HG3 ARG 76 2HG ARG 76 15.355 4.386 7.370 592 HD2 ARG 76 1HD ARG 76 13.415 3.028 7.266 593 HD3 ARG 76 2HD ARG 76 14.352 1.554 7.482 594 HE ARG 76 HE ARG 76 14.196 3.592 9.600 595 HH11 ARG 76 1HH1 ARG 76 13.746 0.286 8.511 596 HH12 ARG 76 2HH1 ARG 76 13.464 -0.328 10.107 597 HH21 ARG 76 1HH2 ARG 76 13.839 2.774 11.693 598 HH22 ARG 76 2HH2 ARG 76 13.534 1.082 11.918 599 H ASP 77 H ASP 77 18.181 1.271 6.136 600 HA ASP 77 HA ASP 77 19.706 0.497 3.913 601 HB2 ASP 77 1HB ASP 77 18.519 -1.180 6.130 602 HB3 ASP 77 2HB ASP 77 19.699 -1.764 4.963 603 H ALA 78 H ALA 78 18.914 0.220 2.004 604 HA ALA 78 HA ALA 78 16.294 -0.299 1.277 605 HB1 ALA 78 1HB ALA 78 18.787 -0.936 -0.285 606 HB2 ALA 78 2HB ALA 78 18.015 0.647 -0.191 607 HB3 ALA 78 3HB ALA 78 17.168 -0.705 -0.940 608 H GLU 79 H GLU 79 18.955 -2.558 1.807 609 HA GLU 79 HA GLU 79 17.649 -4.857 0.795 610 HB2 GLU 79 1HB GLU 79 19.904 -4.552 2.769 611 HB3 GLU 79 2HB GLU 79 19.350 -6.106 2.161 612 HG2 GLU 79 1HG GLU 79 19.867 -5.361 -0.126 613 HG3 GLU 79 2HG GLU 79 20.506 -3.858 0.532 614 H GLU 80 H GLU 80 17.831 -3.421 3.994 615 HA GLU 80 HA GLU 80 16.516 -5.490 5.400 616 HB2 GLU 80 1HB GLU 80 17.869 -3.295 6.130 617 HB3 GLU 80 2HB GLU 80 16.242 -2.662 6.292 618 HG2 GLU 80 1HG GLU 80 17.166 -5.189 7.622 619 HG3 GLU 80 2HG GLU 80 17.291 -3.607 8.367 620 H VAL 81 H VAL 81 15.401 -2.424 4.030 621 HA VAL 81 HA VAL 81 12.678 -2.645 4.567 622 HB VAL 81 HB VAL 81 14.150 -1.238 2.349 623 HG11 VAL 81 1HG1 VAL 81 11.248 -1.005 3.141 624 HG12 VAL 81 2HG1 VAL 81 11.873 -1.579 1.594 625 HG13 VAL 81 3HG1 VAL 81 12.094 0.107 2.064 626 HG21 VAL 81 1HG2 VAL 81 14.694 -0.477 4.549 627 HG22 VAL 81 2HG2 VAL 81 12.987 -0.339 4.969 628 HG23 VAL 81 3HG2 VAL 81 13.687 0.729 3.753 629 H ARG 82 H ARG 82 14.468 -3.595 1.634 630 HA ARG 82 HA ARG 82 12.421 -4.579 0.077 631 HB2 ARG 82 1HB ARG 82 14.830 -4.327 -0.546 632 HB3 ARG 82 2HB ARG 82 15.162 -5.808 0.336 633 HG2 ARG 82 1HG ARG 82 13.571 -6.983 -1.155 634 HG3 ARG 82 2HG ARG 82 13.435 -5.498 -2.092 635 HD2 ARG 82 1HD ARG 82 15.053 -6.977 -3.117 636 HD3 ARG 82 2HD ARG 82 15.852 -5.536 -2.484 637 HE ARG 82 HE ARG 82 15.810 -7.882 -0.761 638 HH11 ARG 82 1HH1 ARG 82 17.615 -5.899 -3.013 639 HH12 ARG 82 2HH1 ARG 82 19.155 -6.530 -2.526 640 HH21 ARG 82 1HH2 ARG 82 17.820 -8.704 -0.113 641 HH22 ARG 82 2HH2 ARG 82 19.273 -8.133 -0.872 642 H THR 83 H THR 83 14.141 -6.147 2.716 643 HA THR 83 HA THR 83 13.193 -8.761 2.261 644 HB THR 83 HB THR 83 14.248 -7.439 4.756 645 HG1 THR 83 HG1 THR 83 15.928 -7.555 3.418 646 HG21 THR 83 1HG2 THR 83 13.810 -10.374 4.192 647 HG22 THR 83 2HG2 THR 83 12.912 -9.393 5.352 648 HG23 THR 83 3HG2 THR 83 14.628 -9.708 5.607 649 H GLU 84 H GLU 84 12.165 -6.352 4.727 650 HA GLU 84 HA GLU 84 10.028 -7.907 5.651 651 HB2 GLU 84 1HB GLU 84 9.167 -5.584 6.476 652 HB3 GLU 84 2HB GLU 84 10.598 -6.314 7.186 653 HG2 GLU 84 1HG GLU 84 11.960 -4.911 5.613 654 HG3 GLU 84 2HG GLU 84 10.463 -4.082 5.191 655 H VAL 85 H VAL 85 10.195 -5.649 2.954 656 HA VAL 85 HA VAL 85 7.435 -5.560 2.390 657 HB VAL 85 HB VAL 85 9.870 -5.339 0.627 658 HG11 VAL 85 1HG1 VAL 85 6.983 -5.064 -0.209 659 HG12 VAL 85 2HG1 VAL 85 8.107 -6.318 -0.736 660 HG13 VAL 85 3HG1 VAL 85 8.382 -4.634 -1.199 661 HG21 VAL 85 1HG2 VAL 85 9.168 -3.002 0.477 662 HG22 VAL 85 2HG2 VAL 85 9.426 -3.500 2.150 663 HG23 VAL 85 3HG2 VAL 85 7.785 -3.354 1.516 664 H LEU 86 H LEU 86 9.980 -7.769 1.240 665 HA LEU 86 HA LEU 86 8.420 -9.351 -0.428 666 HB2 LEU 86 1HB LEU 86 10.912 -9.993 1.143 667 HB3 LEU 86 2HB LEU 86 10.186 -11.107 -0.014 668 HG LEU 86 HG LEU 86 11.052 -8.328 -0.773 669 HD11 LEU 86 1HD1 LEU 86 12.631 -10.886 -1.002 670 HD12 LEU 86 2HD1 LEU 86 12.961 -9.583 0.139 671 HD13 LEU 86 3HD1 LEU 86 13.114 -9.295 -1.594 672 HD21 LEU 86 1HD2 LEU 86 11.093 -9.343 -3.024 673 HD22 LEU 86 2HD2 LEU 86 9.491 -9.363 -2.291 674 HD23 LEU 86 3HD2 LEU 86 10.458 -10.836 -2.333 675 H LYS 87 H LYS 87 8.827 -9.461 3.052 676 HA LYS 87 HA LYS 87 7.684 -12.024 3.470 677 HB2 LYS 87 1HB LYS 87 7.936 -9.613 5.268 678 HB3 LYS 87 2HB LYS 87 7.249 -11.138 5.808 679 HG2 LYS 87 1HG LYS 87 9.355 -12.269 5.310 680 HG3 LYS 87 2HG LYS 87 10.052 -10.728 4.776 681 HD2 LYS 87 1HD LYS 87 9.726 -9.811 7.013 682 HD3 LYS 87 2HD LYS 87 9.002 -11.330 7.541 683 HE2 LYS 87 1HE LYS 87 11.095 -12.491 7.090 684 HE3 LYS 87 2HE LYS 87 11.822 -10.986 6.533 685 HZ1 LYS 87 1HZ LYS 87 10.834 -11.526 9.281 686 HZ2 LYS 87 2HZ LYS 87 11.508 -10.068 8.750 687 HZ3 LYS 87 3HZ LYS 87 12.456 -11.468 8.800 688 H CYS 88 H CYS 88 6.363 -9.033 2.583 689 HA CYS 88 HA CYS 88 3.682 -9.806 3.470 690 HB2 CYS 88 1HB CYS 88 4.958 -7.174 2.815 691 HB3 CYS 88 2HB CYS 88 3.188 -7.343 2.800 692 H VAL 89 H VAL 89 5.668 -9.765 0.763 693 HA VAL 89 HA VAL 89 3.650 -9.354 -1.230 694 HB VAL 89 HB VAL 89 6.405 -10.574 -1.443 695 HG11 VAL 89 1HG1 VAL 89 6.145 -10.178 -3.872 696 HG12 VAL 89 2HG1 VAL 89 4.462 -9.732 -3.586 697 HG13 VAL 89 3HG1 VAL 89 5.009 -11.374 -3.247 698 HG21 VAL 89 1HG2 VAL 89 5.383 -7.811 -2.085 699 HG22 VAL 89 2HG2 VAL 89 6.992 -8.413 -2.486 700 HG23 VAL 89 3HG2 VAL 89 6.507 -8.252 -0.798 701 H ASP 90 H ASP 90 2.012 -10.733 -1.258 702 HA ASP 90 HA ASP 90 2.533 -13.599 -0.912 703 HB2 ASP 90 1HB ASP 90 -0.082 -12.080 -0.822 704 HB3 ASP 90 2HB ASP 90 0.074 -13.824 -0.615 705 H LYS 91 H LYS 91 1.042 -15.013 -2.245 706 HA LYS 91 HA LYS 91 1.204 -14.200 -5.048 707 HB2 LYS 91 1HB LYS 91 0.291 -16.866 -3.961 708 HB3 LYS 91 2HB LYS 91 0.856 -16.488 -5.585 709 HG2 LYS 91 1HG LYS 91 3.086 -16.070 -4.737 710 HG3 LYS 91 2HG LYS 91 2.534 -16.439 -3.104 711 HD2 LYS 91 1HD LYS 91 2.444 -18.364 -5.424 712 HD3 LYS 91 2HD LYS 91 3.717 -18.323 -4.206 713 HE2 LYS 91 1HE LYS 91 1.992 -18.727 -2.467 714 HE3 LYS 91 2HE LYS 91 0.794 -18.899 -3.749 715 HZ1 LYS 91 1HZ LYS 91 1.606 -21.046 -3.032 716 HZ2 LYS 91 2HZ LYS 91 3.199 -20.601 -3.380 717 HZ3 LYS 91 3HZ LYS 91 2.074 -20.759 -4.630 718 H ASN 92 H ASN 92 -0.596 -14.414 -6.458 719 HA ASN 92 HA ASN 92 -2.987 -13.327 -5.262 720 HB2 ASN 92 1HB ASN 92 -2.033 -12.486 -7.411 721 HB3 ASN 92 2HB ASN 92 -2.447 -14.025 -8.148 722 HD21 ASN 92 1HD2 ASN 92 -3.691 -12.799 -9.636 723 HD22 ASN 92 2HD2 ASN 92 -5.284 -12.259 -9.219 724 H THR 93 H THR 93 -3.089 -15.503 -4.061 725 HA THR 93 HA THR 93 -4.402 -17.629 -5.502 726 HB THR 93 HB THR 93 -4.734 -18.602 -3.224 727 HG1 THR 93 HG1 THR 93 -4.836 -16.769 -1.932 728 HG21 THR 93 1HG2 THR 93 -2.355 -18.996 -2.770 729 HG22 THR 93 2HG2 THR 93 -1.939 -17.677 -3.865 730 HG23 THR 93 3HG2 THR 93 -2.730 -19.126 -4.488 731 H ASP 94 H ASP 94 -5.312 -14.688 -4.096 732 HA ASP 94 HA ASP 94 -7.992 -15.399 -3.361 733 HB2 ASP 94 1HB ASP 94 -6.758 -12.674 -3.837 734 HB3 ASP 94 2HB ASP 94 -8.333 -12.973 -3.091 735 H ASN 95 H ASN 95 -6.376 -14.453 -6.214 736 HA ASN 95 HA ASN 95 -6.970 -14.010 -8.332 737 HB2 ASN 95 1HB ASN 95 -8.190 -16.209 -7.906 738 HB3 ASN 95 2HB ASN 95 -9.647 -15.248 -7.743 739 HD21 ASN 95 1HD2 ASN 95 -10.652 -14.504 -9.545 740 HD22 ASN 95 2HD2 ASN 95 -10.105 -14.839 -11.158 741 H ASN 96 H ASN 96 -7.406 -12.042 -6.337 742 HA ASN 96 HA ASN 96 -9.315 -10.347 -7.712 743 HB2 ASN 96 1HB ASN 96 -10.758 -11.336 -6.067 744 HB3 ASN 96 2HB ASN 96 -9.567 -11.103 -4.790 745 HD21 ASN 96 1HD2 ASN 96 -12.041 -9.648 -6.717 746 HD22 ASN 96 2HD2 ASN 96 -12.136 -8.162 -5.838 747 H ALA 97 H ALA 97 -8.293 -8.489 -8.039 748 HA ALA 97 HA ALA 97 -5.730 -7.984 -6.996 749 HB1 ALA 97 1HB ALA 97 -6.508 -7.223 -9.208 750 HB2 ALA 97 2HB ALA 97 -5.799 -5.924 -8.250 751 HB3 ALA 97 3HB ALA 97 -7.551 -6.046 -8.411 752 H CYS 98 H CYS 98 -8.913 -6.799 -6.059 753 HA CYS 98 HA CYS 98 -8.031 -4.639 -4.468 754 HB2 CYS 98 1HB CYS 98 -10.537 -6.300 -4.113 755 HB3 CYS 98 2HB CYS 98 -10.237 -4.713 -3.412 756 H HIS 99 H HIS 99 -8.683 -8.033 -3.643 757 HA HIS 99 HA HIS 99 -8.105 -7.609 -0.858 758 HB2 HIS 99 1HB HIS 99 -9.623 -9.406 -1.982 759 HB3 HIS 99 2HB HIS 99 -8.123 -10.297 -2.202 760 HD1 HIS 99 HD1 HIS 99 -10.815 -9.885 0.123 761 HD2 HIS 99 HD2 HIS 99 -6.747 -10.690 0.432 762 HE1 HIS 99 HE1 HIS 99 -10.498 -10.901 2.395 763 HE2 HIS 99 HE2 HIS 99 -8.009 -11.206 2.627 764 H TRP 100 H TRP 100 -6.340 -8.530 -3.686 765 HA TRP 100 HA TRP 100 -4.121 -9.770 -2.451 766 HB2 TRP 100 1HB TRP 100 -4.711 -9.990 -4.859 767 HB3 TRP 100 2HB TRP 100 -4.223 -8.316 -5.112 768 HD1 TRP 100 HD1 TRP 100 -1.845 -10.003 -2.806 769 HE1 TRP 100 HE1 TRP 100 0.283 -10.699 -4.073 770 HE3 TRP 100 HE3 TRP 100 -3.488 -9.316 -7.598 771 HZ2 TRP 100 HZ2 TRP 100 1.147 -10.942 -6.750 772 HZ3 TRP 100 HZ3 TRP 100 -1.956 -9.807 -9.453 773 HH2 TRP 100 HH2 TRP 100 0.312 -10.606 -9.045 774 H ALA 101 H ALA 101 -4.502 -6.490 -3.797 775 HA ALA 101 HA ALA 101 -1.979 -5.555 -2.938 776 HB1 ALA 101 1HB ALA 101 -4.470 -4.030 -3.673 777 HB2 ALA 101 2HB ALA 101 -3.169 -4.509 -4.763 778 HB3 ALA 101 3HB ALA 101 -2.862 -3.325 -3.491 779 H PHE 102 H PHE 102 -5.178 -5.507 -1.488 780 HA PHE 102 HA PHE 102 -4.606 -3.650 0.533 781 HB2 PHE 102 1HB PHE 102 -6.888 -4.176 -0.068 782 HB3 PHE 102 2HB PHE 102 -6.690 -5.835 0.489 783 HD1 PHE 102 HD1 PHE 102 -6.461 -2.318 1.682 784 HD2 PHE 102 HD2 PHE 102 -7.314 -6.371 2.670 785 HE1 PHE 102 HE1 PHE 102 -7.181 -1.618 3.928 786 HE2 PHE 102 HE2 PHE 102 -8.040 -5.675 4.912 787 HZ PHE 102 HZ PHE 102 -7.973 -3.294 5.545 788 H ARG 103 H ARG 103 -4.148 -7.139 0.339 789 HA ARG 103 HA ARG 103 -3.657 -7.428 3.148 790 HB2 ARG 103 1HB ARG 103 -4.482 -9.291 1.691 791 HB3 ARG 103 2HB ARG 103 -2.883 -9.347 0.961 792 HG2 ARG 103 1HG ARG 103 -1.872 -9.904 3.063 793 HG3 ARG 103 2HG ARG 103 -3.412 -9.710 3.891 794 HD2 ARG 103 1HD ARG 103 -2.838 -12.068 3.491 795 HD3 ARG 103 2HD ARG 103 -4.330 -11.587 2.693 796 HE ARG 103 HE ARG 103 -1.746 -11.810 1.279 797 HH11 ARG 103 1HH1 ARG 103 -5.199 -12.386 1.513 798 HH12 ARG 103 2HH1 ARG 103 -5.333 -13.027 -0.102 799 HH21 ARG 103 1HH2 ARG 103 -1.944 -12.672 -0.860 800 HH22 ARG 103 2HH2 ARG 103 -3.502 -13.187 -1.433 801 H GLY 104 H GLY 104 -1.701 -6.889 0.283 802 HA2 GLY 104 1HA GLY 104 0.843 -7.256 1.469 803 HA3 GLY 104 2HA GLY 104 0.497 -6.216 0.081 804 H PHE 105 H PHE 105 -1.238 -4.417 1.181 805 HA PHE 105 HA PHE 105 0.511 -2.618 2.470 806 HB2 PHE 105 1HB PHE 105 -1.144 -1.714 1.043 807 HB3 PHE 105 2HB PHE 105 -2.434 -2.569 1.875 808 HD1 PHE 105 HD1 PHE 105 0.340 -0.388 3.071 809 HD2 PHE 105 HD2 PHE 105 -3.865 -1.011 2.813 810 HE1 PHE 105 HE1 PHE 105 -0.049 1.626 4.430 811 HE2 PHE 105 HE2 PHE 105 -4.250 0.992 4.179 812 HZ PHE 105 HZ PHE 105 -2.339 2.315 4.989 813 H LYS 106 H LYS 106 -2.319 -4.421 3.581 814 HA LYS 106 HA LYS 106 -2.451 -3.542 6.237 815 HB2 LYS 106 1HB LYS 106 -3.965 -5.229 4.779 816 HB3 LYS 106 2HB LYS 106 -2.992 -6.406 5.649 817 HG2 LYS 106 1HG LYS 106 -5.103 -6.010 6.759 818 HG3 LYS 106 2HG LYS 106 -3.727 -5.564 7.765 819 HD2 LYS 106 1HD LYS 106 -4.102 -3.202 7.244 820 HD3 LYS 106 2HD LYS 106 -5.449 -3.640 6.188 821 HE2 LYS 106 1HE LYS 106 -6.681 -4.531 8.071 822 HE3 LYS 106 2HE LYS 106 -5.315 -4.239 9.146 823 HZ1 LYS 106 1HZ LYS 106 -6.900 -2.153 7.739 824 HZ2 LYS 106 2HZ LYS 106 -5.582 -1.863 8.761 825 HZ3 LYS 106 3HZ LYS 106 -6.997 -2.540 9.381 826 H CYS 107 H CYS 107 -0.787 -6.344 4.877 827 HA CYS 107 HA CYS 107 0.277 -7.381 7.203 828 HB2 CYS 107 1HB CYS 107 0.343 -8.707 5.260 829 HB3 CYS 107 2HB CYS 107 1.188 -7.476 4.332 830 H PHE 108 H PHE 108 1.640 -4.933 5.025 831 HA PHE 108 HA PHE 108 4.138 -4.855 6.401 832 HB2 PHE 108 1HB PHE 108 3.736 -4.308 3.956 833 HB3 PHE 108 2HB PHE 108 3.093 -2.760 4.509 834 HD1 PHE 108 HD1 PHE 108 6.099 -4.876 4.308 835 HD2 PHE 108 HD2 PHE 108 4.559 -1.019 5.249 836 HE1 PHE 108 HE1 PHE 108 8.386 -3.981 4.371 837 HE2 PHE 108 HE2 PHE 108 6.846 -0.119 5.306 838 HZ PHE 108 HZ PHE 108 8.761 -1.597 4.863 839 H GLN 109 H GLN 109 1.294 -2.706 6.305 840 HA GLN 109 HA GLN 109 2.406 -0.742 8.014 841 HB2 GLN 109 1HB GLN 109 0.209 0.212 8.117 842 HB3 GLN 109 2HB GLN 109 0.514 -0.321 6.473 843 HG2 GLN 109 1HG GLN 109 -1.474 -1.292 6.573 844 HG3 GLN 109 2HG GLN 109 -0.730 -2.491 7.637 845 HE21 GLN 109 1HE2 GLN 109 -2.598 -2.858 8.795 846 HE22 GLN 109 2HE2 GLN 109 -3.283 -1.697 9.882 847 H LYS 110 H LYS 110 1.127 -3.827 8.629 848 HA LYS 110 HA LYS 110 0.088 -3.469 11.230 849 HB2 LYS 110 1HB LYS 110 -0.353 -5.421 9.799 850 HB3 LYS 110 2HB LYS 110 1.325 -5.910 9.946 851 HG2 LYS 110 1HG LYS 110 0.139 -7.254 11.438 852 HG3 LYS 110 2HG LYS 110 0.921 -6.029 12.432 853 HD2 LYS 110 1HD LYS 110 -1.128 -4.802 12.640 854 HD3 LYS 110 2HD LYS 110 -1.931 -5.857 11.475 855 HE2 LYS 110 1HE LYS 110 -0.855 -6.711 14.159 856 HE3 LYS 110 2HE LYS 110 -2.547 -6.387 13.797 857 HZ1 LYS 110 1HZ LYS 110 -0.877 -8.517 12.576 858 HZ2 LYS 110 2HZ LYS 110 -2.487 -8.194 12.176 859 HZ3 LYS 110 3HZ LYS 110 -2.096 -8.739 13.727 860 H ASN 111 H ASN 111 3.324 -3.823 9.982 861 HA ASN 111 HA ASN 111 4.345 -3.884 12.750 862 HB2 ASN 111 1HB ASN 111 5.595 -5.152 10.306 863 HB3 ASN 111 2HB ASN 111 6.293 -5.124 11.923 864 HD21 ASN 111 1HD2 ASN 111 3.826 -6.490 9.890 865 HD22 ASN 111 2HD2 ASN 111 3.379 -7.772 10.956 866 H ASN 112 H ASN 112 4.427 -2.382 9.652 867 HA ASN 112 HA ASN 112 6.599 -0.622 10.553 868 HB2 ASN 112 1HB ASN 112 6.395 -2.059 7.909 869 HB3 ASN 112 2HB ASN 112 7.446 -0.662 8.171 870 HD21 ASN 112 1HD2 ASN 112 7.773 -3.686 7.694 871 HD22 ASN 112 2HD2 ASN 112 9.007 -4.110 8.828 872 H LEU 113 H LEU 113 4.302 0.450 10.941 873 HA LEU 113 HA LEU 113 3.248 1.672 8.532 874 HB2 LEU 113 1HB LEU 113 1.624 1.007 10.139 875 HB3 LEU 113 2HB LEU 113 2.434 1.881 11.419 876 HG LEU 113 HG LEU 113 1.855 4.008 10.237 877 HD11 LEU 113 1HD1 LEU 113 1.624 2.991 7.993 878 HD12 LEU 113 2HD1 LEU 113 0.241 3.982 8.460 879 HD13 LEU 113 3HD1 LEU 113 0.132 2.225 8.532 880 HD21 LEU 113 1HD2 LEU 113 -0.517 3.953 10.866 881 HD22 LEU 113 2HD2 LEU 113 0.502 3.184 12.085 882 HD23 LEU 113 3HD2 LEU 113 -0.438 2.194 10.970 883 H SER 114 H SER 114 5.273 2.516 11.241 884 HA SER 114 HA SER 114 5.246 5.325 10.915 885 HB2 SER 114 1HB SER 114 7.440 3.542 12.015 886 HB3 SER 114 2HB SER 114 7.366 5.294 12.197 887 HG SER 114 HG SER 114 5.274 3.592 13.062 888 H LEU 115 H LEU 115 7.077 2.770 9.343 889 HA LEU 115 HA LEU 115 8.910 4.449 7.981 890 HB2 LEU 115 1HB LEU 115 9.231 2.020 8.276 891 HB3 LEU 115 2HB LEU 115 7.879 1.727 7.205 892 HG LEU 115 HG LEU 115 9.134 2.837 5.373 893 HD11 LEU 115 1HD1 LEU 115 10.577 4.267 6.644 894 HD12 LEU 115 2HD1 LEU 115 11.570 3.149 5.707 895 HD13 LEU 115 3HD1 LEU 115 11.322 2.879 7.433 896 HD21 LEU 115 1HD2 LEU 115 9.148 0.397 5.639 897 HD22 LEU 115 2HD2 LEU 115 10.577 0.526 6.665 898 HD23 LEU 115 3HD2 LEU 115 10.663 0.997 4.968 899 H ILE 116 H ILE 116 5.694 3.255 7.295 900 HA ILE 116 HA ILE 116 5.544 4.030 4.593 901 HB ILE 116 HB ILE 116 3.334 3.692 6.634 902 HG12 ILE 116 1HG1 ILE 116 4.449 1.802 4.543 903 HG13 ILE 116 2HG1 ILE 116 4.661 1.662 6.295 904 HG21 ILE 116 1HG2 ILE 116 1.855 3.424 4.684 905 HG22 ILE 116 2HG2 ILE 116 3.197 3.872 3.632 906 HG23 ILE 116 3HG2 ILE 116 2.553 5.043 4.784 907 HD11 ILE 116 1HD1 ILE 116 2.177 1.276 4.670 908 HD12 ILE 116 2HD1 ILE 116 2.129 1.516 6.414 909 HD13 ILE 116 3HD1 ILE 116 2.984 0.131 5.738 910 H LYS 117 H LYS 117 4.602 5.643 7.600 911 HA LYS 117 HA LYS 117 3.594 7.995 6.421 912 HB2 LYS 117 1HB LYS 117 4.699 7.423 9.165 913 HB3 LYS 117 2HB LYS 117 4.035 8.989 8.715 914 HG2 LYS 117 1HG LYS 117 1.883 7.948 8.235 915 HG3 LYS 117 2HG LYS 117 2.535 6.367 8.655 916 HD2 LYS 117 1HD LYS 117 2.913 7.099 10.941 917 HD3 LYS 117 2HD LYS 117 2.364 8.726 10.538 918 HE2 LYS 117 1HE LYS 117 0.140 7.834 10.009 919 HE3 LYS 117 2HE LYS 117 0.697 6.214 10.423 920 HZ1 LYS 117 1HZ LYS 117 -0.524 7.238 12.242 921 HZ2 LYS 117 2HZ LYS 117 0.571 8.524 12.285 922 HZ3 LYS 117 3HZ LYS 117 1.088 6.963 12.685 923 H ALA 118 H ALA 118 6.801 6.966 7.344 924 HA ALA 118 HA ALA 118 8.010 9.552 7.078 925 HB1 ALA 118 1HB ALA 118 9.258 6.823 7.233 926 HB2 ALA 118 2HB ALA 118 8.890 7.874 8.599 927 HB3 ALA 118 3HB ALA 118 10.102 8.360 7.415 928 H SER 119 H SER 119 7.574 6.767 4.990 929 HA SER 119 HA SER 119 9.540 7.403 3.097 930 HB2 SER 119 1HB SER 119 8.382 5.832 1.614 931 HB3 SER 119 2HB SER 119 8.520 5.188 3.249 932 HG SER 119 HG SER 119 6.304 6.061 3.529 933 H ILE 120 H ILE 120 6.226 8.492 3.429 934 HA ILE 120 HA ILE 120 6.341 9.928 0.897 935 HB ILE 120 HB ILE 120 4.043 10.682 1.482 936 HG12 ILE 120 1HG1 ILE 120 4.267 8.766 3.805 937 HG13 ILE 120 2HG1 ILE 120 4.423 10.515 3.970 938 HG21 ILE 120 1HG2 ILE 120 4.512 7.711 1.586 939 HG22 ILE 120 2HG2 ILE 120 4.376 8.697 0.131 940 HG23 ILE 120 3HG2 ILE 120 2.981 8.492 1.190 941 HD11 ILE 120 1HD1 ILE 120 2.199 9.810 4.557 942 HD12 ILE 120 2HD1 ILE 120 2.005 9.022 2.992 943 HD13 ILE 120 3HD1 ILE 120 2.154 10.775 3.084 944 H LYS 121 H LYS 121 7.546 10.428 3.865 945 HA LYS 121 HA LYS 121 6.878 13.243 4.096 946 HB2 LYS 121 1HB LYS 121 6.944 11.838 6.108 947 HB3 LYS 121 2HB LYS 121 8.636 11.479 5.802 948 HG2 LYS 121 1HG LYS 121 9.224 13.806 6.147 949 HG3 LYS 121 2HG LYS 121 7.522 14.220 6.360 950 HD2 LYS 121 1HD LYS 121 8.648 14.026 8.516 951 HD3 LYS 121 2HD LYS 121 7.415 12.778 8.334 952 HE2 LYS 121 1HE LYS 121 9.181 11.180 7.675 953 HE3 LYS 121 2HE LYS 121 10.387 12.435 7.952 954 HZ1 LYS 121 1HZ LYS 121 9.710 12.519 10.268 955 HZ2 LYS 121 2HZ LYS 121 10.190 10.956 9.850 956 HZ3 LYS 121 3HZ LYS 121 8.549 11.323 10.001 957 H LYS 122 H LYS 122 8.032 14.746 3.143 958 HA LYS 122 HA LYS 122 10.900 14.314 2.797 959 HB2 LYS 122 1HB LYS 122 10.337 13.961 0.622 960 HB3 LYS 122 2HB LYS 122 8.891 14.927 0.705 961 HG2 LYS 122 1HG LYS 122 10.317 16.968 0.668 962 HG3 LYS 122 2HG LYS 122 11.730 15.926 0.483 963 HD2 LYS 122 1HD LYS 122 10.805 15.045 -1.607 964 HD3 LYS 122 2HD LYS 122 9.393 16.086 -1.420 965 HE2 LYS 122 1HE LYS 122 10.879 18.056 -1.487 966 HE3 LYS 122 2HE LYS 122 12.250 16.983 -1.767 967 HZ1 LYS 122 1HZ LYS 122 9.899 17.315 -3.551 968 HZ2 LYS 122 2HZ LYS 122 11.175 16.239 -3.814 969 HZ3 LYS 122 3HZ LYS 122 11.460 17.905 -3.833 970 H ASP 123 H ASP 123 12.072 15.941 3.551 971 HA ASP 123 HA ASP 123 10.688 18.385 4.368 972 HB2 ASP 123 1HB ASP 123 12.022 17.118 6.046 973 HB3 ASP 123 2HB ASP 123 13.466 17.443 5.094 974 H21 ACD 201 H21 ACD 1 -4.062 4.481 2.017 975 H22 ACD 201 H22 ACD 1 -2.764 4.985 3.106 976 H31 ACD 201 H31 ACD 1 -1.852 6.479 1.398 977 H32 ACD 201 H32 ACD 1 -3.201 6.142 0.316 978 H41 ACD 201 H41 ACD 1 -2.512 3.808 0.078 979 H42 ACD 201 H42 ACD 1 -1.107 4.842 -0.239 980 H5 ACD 201 H5 ACD 1 -1.501 3.010 2.172 981 H6 ACD 201 H6 ACD 1 0.722 3.709 2.687 982 H71 ACD 201 H71 ACD 1 0.977 5.113 0.162 983 H72 ACD 201 H72 ACD 1 0.050 6.208 1.186 984 H8 ACD 201 H8 ACD 1 1.989 6.584 2.643 985 H9 ACD 201 H9 ACD 1 4.076 5.588 2.066 986 H101 ACD 201 H101 ACD 1 2.989 4.701 -0.481 987 H102 ACD 201 H102 ACD 1 2.503 3.461 0.675 988 H11 ACD 201 H11 ACD 1 5.478 4.275 0.560 989 H12 ACD 201 H12 ACD 1 5.754 1.942 0.214 990 H131 ACD 201 H131 ACD 1 2.798 2.063 -0.536 991 H132 ACD 201 H132 ACD 1 3.857 0.655 -0.643 992 H14 ACD 201 H14 ACD 1 2.729 1.704 2.053 993 H15 ACD 201 H15 ACD 1 2.509 -0.634 2.453 994 H161 ACD 201 H161 ACD 1 2.694 -1.307 -0.346 995 H162 ACD 201 H162 ACD 1 4.367 -0.963 0.106 996 H171 ACD 201 H171 ACD 1 4.363 -2.668 1.808 997 H172 ACD 201 H172 ACD 1 2.615 -2.878 1.687 998 H181 ACD 201 H181 ACD 1 4.599 -3.489 -0.545 999 H182 ACD 201 H182 ACD 1 2.854 -3.752 -0.614 1000 H191 ACD 201 H191 ACD 1 4.812 -5.093 1.301 1001 H192 ACD 201 H192 ACD 1 3.060 -5.299 1.373 1002 H201 ACD 201 H201 ACD 1 4.825 -6.021 -0.977 1003 H202 ACD 201 H202 ACD 1 3.102 -6.201 -0.935 1004 H203 ACD 201 H203 ACD 1 4.096 -7.135 0.131 Start of MODEL 16 1 H1 MET 1 1H MET 1 18.991 4.770 -9.279 2 H2 MET 1 2H MET 1 17.500 5.544 -9.113 3 H3 MET 1 3H MET 1 18.857 6.145 -8.307 4 HA MET 1 HA MET 1 19.915 6.671 -10.394 5 HB2 MET 1 1HB MET 1 18.927 4.965 -11.788 6 HB3 MET 1 2HB MET 1 17.322 5.638 -11.549 7 HG2 MET 1 1HG MET 1 18.248 6.168 -13.752 8 HG3 MET 1 2HG MET 1 17.910 7.609 -12.797 9 HE1 MET 1 1HE MET 1 19.759 7.574 -15.430 10 HE2 MET 1 2HE MET 1 21.041 8.662 -14.895 11 HE3 MET 1 3HE MET 1 19.360 9.014 -14.496 12 H GLU 2 H GLU 2 16.463 7.120 -9.652 13 HA GLU 2 HA GLU 2 16.896 10.022 -9.915 14 HB2 GLU 2 1HB GLU 2 14.344 8.498 -10.411 15 HB3 GLU 2 2HB GLU 2 14.550 10.236 -10.543 16 HG2 GLU 2 1HG GLU 2 16.150 9.871 -12.377 17 HG3 GLU 2 2HG GLU 2 15.835 8.139 -12.264 18 H PHE 3 H PHE 3 16.532 11.190 -8.150 19 HA PHE 3 HA PHE 3 15.234 9.959 -5.867 20 HB2 PHE 3 1HB PHE 3 17.169 11.337 -5.404 21 HB3 PHE 3 2HB PHE 3 16.440 12.708 -6.244 22 HD1 PHE 3 HD1 PHE 3 15.049 10.352 -3.696 23 HD2 PHE 3 HD2 PHE 3 16.069 14.362 -4.702 24 HE1 PHE 3 HE1 PHE 3 14.054 11.131 -1.588 25 HE2 PHE 3 HE2 PHE 3 15.070 15.147 -2.595 26 HZ PHE 3 HZ PHE 3 14.062 13.531 -1.035 27 H THR 4 H THR 4 13.146 9.707 -6.331 28 HA THR 4 HA THR 4 11.513 12.108 -6.279 29 HB THR 4 HB THR 4 10.418 10.188 -8.190 30 HG1 THR 4 HG1 THR 4 12.878 11.524 -8.778 31 HG21 THR 4 1HG2 THR 4 10.006 12.243 -9.464 32 HG22 THR 4 2HG2 THR 4 10.977 13.146 -8.299 33 HG23 THR 4 3HG2 THR 4 9.472 12.381 -7.789 34 H VAL 5 H VAL 5 10.410 11.719 -4.498 35 HA VAL 5 HA VAL 5 9.282 9.017 -4.097 36 HB VAL 5 HB VAL 5 9.560 9.188 -1.838 37 HG11 VAL 5 1HG1 VAL 5 11.660 11.083 -2.831 38 HG12 VAL 5 2HG1 VAL 5 11.767 9.327 -2.725 39 HG13 VAL 5 3HG1 VAL 5 11.667 10.293 -1.254 40 HG21 VAL 5 1HG2 VAL 5 8.117 11.138 -1.529 41 HG22 VAL 5 2HG2 VAL 5 9.441 12.201 -2.005 42 HG23 VAL 5 3HG2 VAL 5 9.561 11.251 -0.524 43 H SER 6 H SER 6 7.136 8.819 -3.496 44 HA SER 6 HA SER 6 5.402 10.889 -4.469 45 HB2 SER 6 1HB SER 6 3.586 9.320 -3.735 46 HB3 SER 6 2HB SER 6 4.757 8.589 -4.834 47 HG SER 6 HG SER 6 5.040 8.393 -2.029 48 H THR 7 H THR 7 5.300 12.690 -3.248 49 HA THR 7 HA THR 7 5.632 12.618 -0.406 50 HB THR 7 HB THR 7 5.235 15.044 -0.494 51 HG1 THR 7 HG1 THR 7 4.710 14.552 -3.266 52 HG21 THR 7 1HG2 THR 7 7.044 14.114 -2.725 53 HG22 THR 7 2HG2 THR 7 7.472 14.138 -1.016 54 HG23 THR 7 3HG2 THR 7 7.145 15.650 -1.864 55 H THR 8 H THR 8 4.027 13.927 0.972 56 HA THR 8 HA THR 8 1.597 12.644 1.207 57 HB THR 8 HB THR 8 2.201 15.490 2.035 58 HG1 THR 8 HG1 THR 8 3.612 13.549 2.738 59 HG21 THR 8 1HG2 THR 8 -0.139 15.029 2.242 60 HG22 THR 8 2HG2 THR 8 0.572 14.967 3.856 61 HG23 THR 8 3HG2 THR 8 0.183 13.472 3.002 62 H GLU 9 H GLU 9 2.277 15.755 -0.371 63 HA GLU 9 HA GLU 9 -0.271 16.398 -1.235 64 HB2 GLU 9 1HB GLU 9 1.601 17.945 -1.383 65 HB3 GLU 9 2HB GLU 9 2.360 16.946 -2.612 66 HG2 GLU 9 1HG GLU 9 0.394 17.355 -4.066 67 HG3 GLU 9 2HG GLU 9 -0.211 18.476 -2.847 68 H ASP 10 H ASP 10 2.225 14.541 -2.993 69 HA ASP 10 HA ASP 10 0.719 14.107 -5.325 70 HB2 ASP 10 1HB ASP 10 2.819 12.244 -4.180 71 HB3 ASP 10 2HB ASP 10 2.246 12.297 -5.845 72 H LEU 11 H LEU 11 1.002 12.298 -2.331 73 HA LEU 11 HA LEU 11 -0.518 10.075 -3.101 74 HB2 LEU 11 1HB LEU 11 0.905 9.955 -1.183 75 HB3 LEU 11 2HB LEU 11 0.026 11.258 -0.374 76 HG LEU 11 HG LEU 11 -1.966 9.761 -0.306 77 HD11 LEU 11 1HD1 LEU 11 -1.710 7.416 -0.757 78 HD12 LEU 11 2HD1 LEU 11 -0.020 7.649 -1.198 79 HD13 LEU 11 3HD1 LEU 11 -1.299 8.336 -2.199 80 HD21 LEU 11 1HD2 LEU 11 -0.353 10.017 1.578 81 HD22 LEU 11 2HD2 LEU 11 0.471 8.569 0.999 82 HD23 LEU 11 3HD2 LEU 11 -1.198 8.470 1.556 83 H GLN 12 H GLN 12 -1.428 13.187 -1.698 84 HA GLN 12 HA GLN 12 -4.113 12.472 -1.128 85 HB2 GLN 12 1HB GLN 12 -2.812 15.154 -1.535 86 HB3 GLN 12 2HB GLN 12 -4.498 14.956 -1.074 87 HG2 GLN 12 1HG GLN 12 -2.099 14.043 0.493 88 HG3 GLN 12 2HG GLN 12 -3.129 15.422 0.868 89 HE21 GLN 12 1HE2 GLN 12 -2.822 11.973 0.900 90 HE22 GLN 12 2HE2 GLN 12 -4.206 11.652 1.883 91 H ARG 13 H ARG 13 -2.474 13.730 -3.930 92 HA ARG 13 HA ARG 13 -4.708 14.432 -5.474 93 HB2 ARG 13 1HB ARG 13 -2.445 15.085 -6.087 94 HB3 ARG 13 2HB ARG 13 -2.000 13.403 -6.332 95 HG2 ARG 13 1HG ARG 13 -3.539 13.241 -8.202 96 HG3 ARG 13 2HG ARG 13 -4.049 14.919 -7.936 97 HD2 ARG 13 1HD ARG 13 -1.786 15.684 -8.391 98 HD3 ARG 13 2HD ARG 13 -1.255 14.018 -8.612 99 HE ARG 13 HE ARG 13 -3.378 14.549 -10.378 100 HH11 ARG 13 1HH1 ARG 13 -0.030 15.422 -9.856 101 HH12 ARG 13 2HH1 ARG 13 0.293 15.699 -11.537 102 HH21 ARG 13 1HH2 ARG 13 -2.949 14.893 -12.598 103 HH22 ARG 13 2HH2 ARG 13 -1.368 15.406 -13.098 104 H TYR 14 H TYR 14 -2.755 11.440 -5.618 105 HA TYR 14 HA TYR 14 -4.430 10.091 -7.423 106 HB2 TYR 14 1HB TYR 14 -2.581 8.893 -5.348 107 HB3 TYR 14 2HB TYR 14 -3.257 8.054 -6.739 108 HD1 TYR 14 HD1 TYR 14 -0.327 9.410 -5.620 109 HD2 TYR 14 HD2 TYR 14 -2.903 9.578 -9.003 110 HE1 TYR 14 HE1 TYR 14 1.561 10.141 -7.018 111 HE2 TYR 14 HE2 TYR 14 -1.025 10.300 -10.405 112 HH TYR 14 HH TYR 14 2.187 10.094 -9.456 113 H ARG 15 H ARG 15 -4.460 10.251 -3.923 114 HA ARG 15 HA ARG 15 -6.213 8.107 -3.493 115 HB2 ARG 15 1HB ARG 15 -5.414 8.516 -1.462 116 HB3 ARG 15 2HB ARG 15 -4.881 10.120 -1.937 117 HG2 ARG 15 1HG ARG 15 -6.950 11.089 -1.269 118 HG3 ARG 15 2HG ARG 15 -7.703 9.499 -1.081 119 HD2 ARG 15 1HD ARG 15 -6.238 8.971 0.766 120 HD3 ARG 15 2HD ARG 15 -5.342 10.468 0.535 121 HE ARG 15 HE ARG 15 -7.826 11.369 0.990 122 HH11 ARG 15 1HH1 ARG 15 -5.881 8.964 2.652 123 HH12 ARG 15 2HH1 ARG 15 -6.534 9.348 4.214 124 HH21 ARG 15 1HH2 ARG 15 -8.678 11.874 3.051 125 HH22 ARG 15 2HH2 ARG 15 -8.149 10.984 4.435 126 H THR 16 H THR 16 -6.808 11.568 -3.962 127 HA THR 16 HA THR 16 -9.616 11.424 -3.553 128 HB THR 16 HB THR 16 -8.224 13.451 -5.298 129 HG1 THR 16 HG1 THR 16 -7.094 13.720 -3.456 130 HG21 THR 16 1HG2 THR 16 -10.657 13.636 -3.524 131 HG22 THR 16 2HG2 THR 16 -10.688 13.445 -5.276 132 HG23 THR 16 3HG2 THR 16 -10.016 14.912 -4.558 133 H GLU 17 H GLU 17 -7.597 11.287 -6.491 134 HA GLU 17 HA GLU 17 -9.632 11.127 -8.405 135 HB2 GLU 17 1HB GLU 17 -7.145 9.433 -8.604 136 HB3 GLU 17 2HB GLU 17 -8.071 10.166 -9.895 137 HG2 GLU 17 1HG GLU 17 -6.376 11.667 -7.922 138 HG3 GLU 17 2HG GLU 17 -5.948 11.294 -9.594 139 H CYS 18 H CYS 18 -8.064 8.493 -6.618 140 HA CYS 18 HA CYS 18 -9.625 6.437 -7.741 141 HB2 CYS 18 1HB CYS 18 -8.108 6.540 -5.134 142 HB3 CYS 18 2HB CYS 18 -8.834 5.078 -5.814 143 H VAL 19 H VAL 19 -10.089 8.456 -4.875 144 HA VAL 19 HA VAL 19 -12.253 7.068 -3.776 145 HB VAL 19 HB VAL 19 -11.319 9.903 -3.560 146 HG11 VAL 19 1HG1 VAL 19 -13.755 10.061 -3.575 147 HG12 VAL 19 2HG1 VAL 19 -13.094 10.404 -1.975 148 HG13 VAL 19 3HG1 VAL 19 -13.844 8.841 -2.302 149 HG21 VAL 19 1HG2 VAL 19 -10.141 8.287 -2.261 150 HG22 VAL 19 2HG2 VAL 19 -11.645 7.609 -1.643 151 HG23 VAL 19 3HG2 VAL 19 -11.148 9.235 -1.168 152 H SER 20 H SER 20 -12.238 9.891 -5.927 153 HA SER 20 HA SER 20 -15.063 9.985 -6.149 154 HB2 SER 20 1HB SER 20 -13.509 11.911 -6.481 155 HB3 SER 20 2HB SER 20 -12.994 11.185 -8.001 156 HG SER 20 HG SER 20 -15.423 11.215 -8.433 157 H SER 21 H SER 21 -12.704 8.021 -7.730 158 HA SER 21 HA SER 21 -14.398 7.511 -10.041 159 HB2 SER 21 1HB SER 21 -11.758 6.297 -9.202 160 HB3 SER 21 2HB SER 21 -12.577 5.987 -10.732 161 HG SER 21 HG SER 21 -11.569 8.478 -9.793 162 H LEU 22 H LEU 22 -13.160 5.722 -7.202 163 HA LEU 22 HA LEU 22 -14.679 3.379 -7.955 164 HB2 LEU 22 1HB LEU 22 -12.905 3.993 -5.595 165 HB3 LEU 22 2HB LEU 22 -13.717 2.442 -5.828 166 HG LEU 22 HG LEU 22 -11.776 3.615 -7.814 167 HD11 LEU 22 1HD1 LEU 22 -10.626 3.213 -5.714 168 HD12 LEU 22 2HD1 LEU 22 -10.165 1.994 -6.903 169 HD13 LEU 22 3HD1 LEU 22 -11.317 1.594 -5.626 170 HD21 LEU 22 1HD2 LEU 22 -11.747 1.392 -8.728 171 HD22 LEU 22 2HD2 LEU 22 -13.412 1.970 -8.654 172 HD23 LEU 22 3HD2 LEU 22 -12.821 0.817 -7.454 173 H ASN 23 H ASN 23 -15.757 6.113 -6.850 174 HA ASN 23 HA ASN 23 -17.536 6.853 -5.631 175 HB2 ASN 23 1HB ASN 23 -18.401 3.972 -5.886 176 HB3 ASN 23 2HB ASN 23 -19.431 5.302 -5.395 177 HD21 ASN 23 1HD2 ASN 23 -18.323 7.199 -7.263 178 HD22 ASN 23 2HD2 ASN 23 -18.905 6.732 -8.827 179 H ILE 24 H ILE 24 -15.254 6.147 -4.130 180 HA ILE 24 HA ILE 24 -15.932 4.620 -1.839 181 HB ILE 24 HB ILE 24 -13.797 6.747 -2.015 182 HG12 ILE 24 1HG1 ILE 24 -13.582 5.167 -3.910 183 HG13 ILE 24 2HG1 ILE 24 -12.258 4.995 -2.761 184 HG21 ILE 24 1HG2 ILE 24 -14.065 4.272 -0.307 185 HG22 ILE 24 2HG2 ILE 24 -14.250 5.941 0.231 186 HG23 ILE 24 3HG2 ILE 24 -12.677 5.363 -0.317 187 HD11 ILE 24 1HD1 ILE 24 -14.663 3.197 -2.984 188 HD12 ILE 24 2HD1 ILE 24 -13.344 3.013 -1.826 189 HD13 ILE 24 3HD1 ILE 24 -13.034 2.838 -3.555 190 HA PRO 25 HA PRO 25 -18.549 7.715 0.094 191 HB2 PRO 25 1HB PRO 25 -18.140 6.023 2.464 192 HB3 PRO 25 2HB PRO 25 -19.638 6.506 1.668 193 HG2 PRO 25 1HG PRO 25 -18.662 4.006 1.511 194 HG3 PRO 25 2HG PRO 25 -19.585 4.763 0.202 195 HD2 PRO 25 1HD PRO 25 -16.651 4.268 0.413 196 HD3 PRO 25 2HD PRO 25 -17.706 4.274 -1.021 197 H ALA 26 H ALA 26 -18.162 9.453 1.265 198 HA ALA 26 HA ALA 26 -15.574 10.316 1.803 199 HB1 ALA 26 1HB ALA 26 -18.130 11.328 3.033 200 HB2 ALA 26 2HB ALA 26 -17.511 11.786 1.447 201 HB3 ALA 26 3HB ALA 26 -16.607 12.209 2.903 202 H ASP 27 H ASP 27 -17.892 8.705 3.872 203 HA ASP 27 HA ASP 27 -16.778 9.064 6.377 204 HB2 ASP 27 1HB ASP 27 -18.261 6.758 5.154 205 HB3 ASP 27 2HB ASP 27 -17.618 6.633 6.787 206 H TYR 28 H TYR 28 -15.997 6.472 4.047 207 HA TYR 28 HA TYR 28 -13.931 5.323 5.516 208 HB2 TYR 28 1HB TYR 28 -14.655 5.365 2.617 209 HB3 TYR 28 2HB TYR 28 -13.102 4.685 3.095 210 HD1 TYR 28 HD1 TYR 28 -13.014 2.659 4.484 211 HD2 TYR 28 HD2 TYR 28 -16.723 4.210 3.096 212 HE1 TYR 28 HE1 TYR 28 -14.100 0.516 4.992 213 HE2 TYR 28 HE2 TYR 28 -17.815 2.070 3.604 214 HH TYR 28 HH TYR 28 -17.179 -0.299 3.861 215 H VAL 29 H VAL 29 -13.929 8.005 3.233 216 HA VAL 29 HA VAL 29 -11.187 8.295 2.854 217 HB VAL 29 HB VAL 29 -13.277 10.463 2.870 218 HG11 VAL 29 1HG1 VAL 29 -10.526 10.349 1.650 219 HG12 VAL 29 2HG1 VAL 29 -11.059 11.410 2.955 220 HG13 VAL 29 3HG1 VAL 29 -11.716 11.611 1.331 221 HG21 VAL 29 1HG2 VAL 29 -13.318 10.065 0.427 222 HG22 VAL 29 2HG2 VAL 29 -13.896 8.690 1.367 223 HG23 VAL 29 3HG2 VAL 29 -12.275 8.665 0.677 224 H GLU 30 H GLU 30 -13.302 9.809 5.301 225 HA GLU 30 HA GLU 30 -11.314 11.344 6.578 226 HB2 GLU 30 1HB GLU 30 -13.564 10.099 8.117 227 HB3 GLU 30 2HB GLU 30 -12.818 11.679 8.307 228 HG2 GLU 30 1HG GLU 30 -13.804 12.352 6.154 229 HG3 GLU 30 2HG GLU 30 -14.658 10.812 6.107 230 H LYS 31 H LYS 31 -12.310 8.005 6.960 231 HA LYS 31 HA LYS 31 -10.843 7.427 9.301 232 HB2 LYS 31 1HB LYS 31 -11.687 5.562 7.076 233 HB3 LYS 31 2HB LYS 31 -11.081 5.066 8.661 234 HG2 LYS 31 1HG LYS 31 -12.993 6.313 9.679 235 HG3 LYS 31 2HG LYS 31 -13.633 6.528 8.048 236 HD2 LYS 31 1HD LYS 31 -13.656 4.072 7.764 237 HD3 LYS 31 2HD LYS 31 -13.111 3.897 9.445 238 HE2 LYS 31 1HE LYS 31 -15.141 5.135 10.181 239 HE3 LYS 31 2HE LYS 31 -15.693 5.170 8.507 240 HZ1 LYS 31 1HZ LYS 31 -16.710 3.378 9.773 241 HZ2 LYS 31 2HZ LYS 31 -15.191 2.713 10.093 242 HZ3 LYS 31 3HZ LYS 31 -15.773 2.769 8.507 243 H PHE 32 H PHE 32 -10.053 7.122 5.870 244 HA PHE 32 HA PHE 32 -7.567 5.888 6.140 245 HB2 PHE 32 1HB PHE 32 -8.398 7.840 3.994 246 HB3 PHE 32 2HB PHE 32 -7.097 6.662 3.885 247 HD1 PHE 32 HD1 PHE 32 -9.615 7.082 2.101 248 HD2 PHE 32 HD2 PHE 32 -8.659 4.395 5.255 249 HE1 PHE 32 HE1 PHE 32 -11.182 5.430 1.168 250 HE2 PHE 32 HE2 PHE 32 -10.219 2.743 4.328 251 HZ PHE 32 HZ PHE 32 -11.481 3.251 2.278 252 H LYS 33 H LYS 33 -8.494 9.252 6.412 253 HA LYS 33 HA LYS 33 -5.880 10.367 6.413 254 HB2 LYS 33 1HB LYS 33 -8.187 11.542 6.196 255 HB3 LYS 33 2HB LYS 33 -8.188 11.512 7.957 256 HG2 LYS 33 1HG LYS 33 -6.130 12.772 8.026 257 HG3 LYS 33 2HG LYS 33 -6.042 12.759 6.257 258 HD2 LYS 33 1HD LYS 33 -8.187 13.984 6.183 259 HD3 LYS 33 2HD LYS 33 -8.186 14.051 7.944 260 HE2 LYS 33 1HE LYS 33 -6.201 15.383 7.957 261 HE3 LYS 33 2HE LYS 33 -5.992 15.177 6.218 262 HZ1 LYS 33 1HZ LYS 33 -8.225 16.614 7.544 263 HZ2 LYS 33 2HZ LYS 33 -8.061 16.394 5.876 264 HZ3 LYS 33 3HZ LYS 33 -6.933 17.330 6.721 265 H LYS 34 H LYS 34 -7.725 8.623 8.727 266 HA LYS 34 HA LYS 34 -5.889 9.348 10.891 267 HB2 LYS 34 1HB LYS 34 -8.528 7.868 10.905 268 HB3 LYS 34 2HB LYS 34 -7.525 8.080 12.334 269 HG2 LYS 34 1HG LYS 34 -7.779 10.494 12.164 270 HG3 LYS 34 2HG LYS 34 -8.742 10.297 10.699 271 HD2 LYS 34 1HD LYS 34 -10.424 9.059 11.961 272 HD3 LYS 34 2HD LYS 34 -9.456 9.222 13.426 273 HE2 LYS 34 1HE LYS 34 -10.619 11.503 11.837 274 HE3 LYS 34 2HE LYS 34 -11.297 10.852 13.328 275 HZ1 LYS 34 1HZ LYS 34 -8.661 12.179 13.013 276 HZ2 LYS 34 2HZ LYS 34 -9.199 11.450 14.439 277 HZ3 LYS 34 3HZ LYS 34 -10.014 12.794 13.821 278 H TRP 35 H TRP 35 -5.487 7.550 8.497 279 HA TRP 35 HA TRP 35 -4.590 5.570 7.907 280 HB2 TRP 35 1HB TRP 35 -3.475 5.809 10.702 281 HB3 TRP 35 2HB TRP 35 -2.908 4.633 9.505 282 HD1 TRP 35 HD1 TRP 35 -2.661 8.287 10.465 283 HE1 TRP 35 HE1 TRP 35 -0.926 9.454 8.961 284 HE3 TRP 35 HE3 TRP 35 -1.907 4.558 7.052 285 HZ2 TRP 35 HZ2 TRP 35 0.558 8.870 6.641 286 HZ3 TRP 35 HZ3 TRP 35 -0.317 4.943 5.222 287 HH2 TRP 35 HH2 TRP 35 0.894 7.048 5.015 288 H GLU 36 H GLU 36 -7.213 5.371 8.763 289 HA GLU 36 HA GLU 36 -7.277 2.717 10.015 290 HB2 GLU 36 1HB GLU 36 -9.381 4.873 9.912 291 HB3 GLU 36 2HB GLU 36 -9.698 3.229 10.443 292 HG2 GLU 36 1HG GLU 36 -8.004 3.539 12.220 293 HG3 GLU 36 2HG GLU 36 -7.851 5.218 11.715 294 H PHE 37 H PHE 37 -7.352 1.235 8.502 295 HA PHE 37 HA PHE 37 -9.078 1.707 6.162 296 HB2 PHE 37 1HB PHE 37 -6.692 -0.156 6.338 297 HB3 PHE 37 2HB PHE 37 -7.616 0.225 4.890 298 HD1 PHE 37 HD1 PHE 37 -7.166 2.199 3.627 299 HD2 PHE 37 HD2 PHE 37 -5.258 1.566 7.382 300 HE1 PHE 37 HE1 PHE 37 -5.648 4.078 3.172 301 HE2 PHE 37 HE2 PHE 37 -3.731 3.436 6.924 302 HZ PHE 37 HZ PHE 37 -3.928 4.701 4.820 303 HA PRO 38 HA PRO 38 -11.325 -1.568 8.522 304 HB2 PRO 38 1HB PRO 38 -13.285 -0.705 6.452 305 HB3 PRO 38 2HB PRO 38 -13.522 -1.025 8.180 306 HG2 PRO 38 1HG PRO 38 -13.461 1.472 7.311 307 HG3 PRO 38 2HG PRO 38 -12.633 1.027 8.816 308 HD2 PRO 38 1HD PRO 38 -11.462 1.507 6.093 309 HD3 PRO 38 2HD PRO 38 -10.846 2.005 7.700 310 H GLU 39 H GLU 39 -11.496 -3.643 7.981 311 HA GLU 39 HA GLU 39 -10.446 -4.523 5.485 312 HB2 GLU 39 1HB GLU 39 -10.042 -5.700 7.609 313 HB3 GLU 39 2HB GLU 39 -11.745 -6.121 7.694 314 HG2 GLU 39 1HG GLU 39 -11.575 -7.543 5.812 315 HG3 GLU 39 2HG GLU 39 -9.966 -6.940 5.417 316 H ASP 40 H ASP 40 -11.821 -3.703 3.961 317 HA ASP 40 HA ASP 40 -14.226 -5.250 3.452 318 HB2 ASP 40 1HB ASP 40 -15.111 -3.373 4.774 319 HB3 ASP 40 2HB ASP 40 -14.319 -2.224 3.698 320 H ASP 41 H ASP 41 -14.807 -5.279 1.336 321 HA ASP 41 HA ASP 41 -12.799 -5.240 -0.555 322 HB2 ASP 41 1HB ASP 41 -14.837 -6.536 -0.820 323 HB3 ASP 41 2HB ASP 41 -15.785 -5.064 -0.988 324 H THR 42 H THR 42 -15.098 -2.674 0.229 325 HA THR 42 HA THR 42 -14.645 -0.979 -1.959 326 HB THR 42 HB THR 42 -15.176 -0.066 0.868 327 HG1 THR 42 HG1 THR 42 -16.756 -1.519 0.620 328 HG21 THR 42 1HG2 THR 42 -15.929 1.020 -1.844 329 HG22 THR 42 2HG2 THR 42 -14.799 1.737 -0.696 330 HG23 THR 42 3HG2 THR 42 -16.518 1.662 -0.312 331 H THR 43 H THR 43 -13.127 -0.982 1.258 332 HA THR 43 HA THR 43 -11.212 1.014 0.798 333 HB THR 43 HB THR 43 -10.915 -1.379 2.618 334 HG1 THR 43 HG1 THR 43 -11.859 0.300 4.148 335 HG21 THR 43 1HG2 THR 43 -9.673 0.289 4.028 336 HG22 THR 43 2HG2 THR 43 -9.763 1.409 2.668 337 HG23 THR 43 3HG2 THR 43 -8.885 -0.110 2.500 338 H MET 44 H MET 44 -11.284 -2.391 0.033 339 HA MET 44 HA MET 44 -8.488 -2.732 -0.275 340 HB2 MET 44 1HB MET 44 -10.765 -4.394 -1.344 341 HB3 MET 44 2HB MET 44 -9.081 -4.895 -1.293 342 HG2 MET 44 1HG MET 44 -9.108 -4.772 1.134 343 HG3 MET 44 2HG MET 44 -10.778 -4.217 1.097 344 HE1 MET 44 1HE MET 44 -9.819 -6.628 2.869 345 HE2 MET 44 2HE MET 44 -11.117 -7.790 2.585 346 HE3 MET 44 3HE MET 44 -11.493 -6.077 2.785 347 H CYS 45 H CYS 45 -11.125 -2.388 -2.669 348 HA CYS 45 HA CYS 45 -9.402 -2.352 -4.907 349 HB2 CYS 45 1HB CYS 45 -12.184 -1.208 -4.563 350 HB3 CYS 45 2HB CYS 45 -11.328 -1.256 -6.099 351 H TYR 46 H TYR 46 -10.436 0.110 -2.662 352 HA TYR 46 HA TYR 46 -9.597 2.371 -4.063 353 HB2 TYR 46 1HB TYR 46 -10.902 2.764 -2.158 354 HB3 TYR 46 2HB TYR 46 -9.887 1.746 -1.134 355 HD1 TYR 46 HD1 TYR 46 -9.662 4.857 -3.202 356 HD2 TYR 46 HD2 TYR 46 -8.428 2.797 0.312 357 HE1 TYR 46 HE1 TYR 46 -8.424 6.848 -2.471 358 HE2 TYR 46 HE2 TYR 46 -7.192 4.788 1.050 359 HH TYR 46 HH TYR 46 -6.449 6.826 0.461 360 H ILE 47 H ILE 47 -7.872 0.388 -1.673 361 HA ILE 47 HA ILE 47 -5.426 1.715 -1.784 362 HB ILE 47 HB ILE 47 -6.052 -1.158 -1.147 363 HG12 ILE 47 1HG1 ILE 47 -7.011 0.438 0.417 364 HG13 ILE 47 2HG1 ILE 47 -5.681 -0.414 1.196 365 HG21 ILE 47 1HG2 ILE 47 -3.433 0.297 -0.810 366 HG22 ILE 47 2HG2 ILE 47 -3.751 -1.070 -1.878 367 HG23 ILE 47 3HG2 ILE 47 -3.806 -1.285 -0.127 368 HD11 ILE 47 1HD1 ILE 47 -5.528 1.860 1.822 369 HD12 ILE 47 2HD1 ILE 47 -5.718 2.409 0.160 370 HD13 ILE 47 3HD1 ILE 47 -4.239 1.580 0.652 371 H LYS 48 H LYS 48 -6.741 -0.858 -3.800 372 HA LYS 48 HA LYS 48 -4.393 -1.525 -5.170 373 HB2 LYS 48 1HB LYS 48 -6.524 -2.831 -5.222 374 HB3 LYS 48 2HB LYS 48 -7.204 -1.596 -6.271 375 HG2 LYS 48 1HG LYS 48 -5.499 -2.075 -7.953 376 HG3 LYS 48 2HG LYS 48 -4.800 -3.300 -6.894 377 HD2 LYS 48 1HD LYS 48 -6.175 -4.380 -8.546 378 HD3 LYS 48 2HD LYS 48 -6.948 -4.529 -6.969 379 HE2 LYS 48 1HE LYS 48 -8.625 -4.001 -8.596 380 HE3 LYS 48 2HE LYS 48 -8.393 -2.595 -7.559 381 HZ1 LYS 48 1HZ LYS 48 -7.219 -2.950 -10.263 382 HZ2 LYS 48 2HZ LYS 48 -7.036 -1.591 -9.276 383 HZ3 LYS 48 3HZ LYS 48 -8.557 -1.987 -9.891 384 H CYS 49 H CYS 49 -7.003 0.737 -6.028 385 HA CYS 49 HA CYS 49 -5.914 1.656 -8.420 386 HB2 CYS 49 1HB CYS 49 -8.179 2.134 -7.943 387 HB3 CYS 49 2HB CYS 49 -7.782 2.982 -6.451 388 H VAL 50 H VAL 50 -5.543 2.963 -5.124 389 HA VAL 50 HA VAL 50 -4.070 5.228 -5.823 390 HB VAL 50 HB VAL 50 -4.170 3.680 -3.239 391 HG11 VAL 50 1HG1 VAL 50 -2.100 4.965 -3.332 392 HG12 VAL 50 2HG1 VAL 50 -3.230 5.677 -2.178 393 HG13 VAL 50 3HG1 VAL 50 -3.009 6.414 -3.766 394 HG21 VAL 50 1HG2 VAL 50 -6.284 4.613 -3.853 395 HG22 VAL 50 2HG2 VAL 50 -5.540 6.174 -4.194 396 HG23 VAL 50 3HG2 VAL 50 -5.601 5.570 -2.537 397 H PHE 51 H PHE 51 -3.013 2.046 -4.679 398 HA PHE 51 HA PHE 51 -0.270 2.632 -4.657 399 HB2 PHE 51 1HB PHE 51 -1.944 0.183 -4.480 400 HB3 PHE 51 2HB PHE 51 -0.236 -0.034 -4.859 401 HD1 PHE 51 HD1 PHE 51 -1.643 2.612 -2.702 402 HD2 PHE 51 HD2 PHE 51 0.434 -1.098 -2.860 403 HE1 PHE 51 HE1 PHE 51 -1.137 2.797 -0.304 404 HE2 PHE 51 HE2 PHE 51 0.942 -0.917 -0.462 405 HZ PHE 51 HZ PHE 51 0.157 1.032 0.820 406 H ASN 52 H ASN 52 -2.461 1.709 -7.143 407 HA ASN 52 HA ASN 52 -0.467 0.784 -8.999 408 HB2 ASN 52 1HB ASN 52 -2.803 -0.044 -9.038 409 HB3 ASN 52 2HB ASN 52 -3.353 1.575 -9.483 410 HD21 ASN 52 1HD2 ASN 52 -0.433 0.014 -10.683 411 HD22 ASN 52 2HD2 ASN 52 -0.968 -0.111 -12.321 412 H LYS 53 H LYS 53 -2.282 3.746 -8.429 413 HA LYS 53 HA LYS 53 -1.280 5.077 -10.749 414 HB2 LYS 53 1HB LYS 53 -2.885 5.892 -8.366 415 HB3 LYS 53 2HB LYS 53 -2.203 7.130 -9.413 416 HG2 LYS 53 1HG LYS 53 -4.021 4.904 -10.319 417 HG3 LYS 53 2HG LYS 53 -4.542 6.549 -9.959 418 HD2 LYS 53 1HD LYS 53 -2.534 5.775 -12.079 419 HD3 LYS 53 2HD LYS 53 -4.226 6.173 -12.374 420 HE2 LYS 53 1HE LYS 53 -3.842 8.422 -11.461 421 HE3 LYS 53 2HE LYS 53 -2.146 8.019 -11.198 422 HZ1 LYS 53 1HZ LYS 53 -1.875 7.721 -13.572 423 HZ2 LYS 53 2HZ LYS 53 -2.468 9.270 -13.242 424 HZ3 LYS 53 3HZ LYS 53 -3.507 8.077 -13.835 425 H MET 54 H MET 54 -0.137 4.567 -7.558 426 HA MET 54 HA MET 54 1.816 6.709 -7.705 427 HB2 MET 54 1HB MET 54 1.187 4.595 -5.658 428 HB3 MET 54 2HB MET 54 2.599 5.640 -5.520 429 HG2 MET 54 1HG MET 54 1.292 7.550 -5.265 430 HG3 MET 54 2HG MET 54 -0.156 6.754 -5.874 431 HE1 MET 54 1HE MET 54 1.642 6.258 -1.664 432 HE2 MET 54 2HE MET 54 2.248 7.328 -2.929 433 HE3 MET 54 3HE MET 54 2.485 5.588 -3.061 434 H GLN 55 H GLN 55 1.580 3.963 -9.283 435 HA GLN 55 HA GLN 55 2.926 2.471 -10.269 436 HB2 GLN 55 1HB GLN 55 4.840 4.732 -9.801 437 HB3 GLN 55 2HB GLN 55 5.315 3.278 -10.691 438 HG2 GLN 55 1HG GLN 55 3.610 3.690 -12.329 439 HG3 GLN 55 2HG GLN 55 2.991 5.048 -11.401 440 HE21 GLN 55 1HE2 GLN 55 3.935 4.981 -14.130 441 HE22 GLN 55 2HE2 GLN 55 5.244 6.102 -14.230 442 H LEU 56 H LEU 56 2.446 1.796 -7.709 443 HA LEU 56 HA LEU 56 5.027 0.864 -6.701 444 HB2 LEU 56 1HB LEU 56 2.845 2.308 -5.378 445 HB3 LEU 56 2HB LEU 56 3.430 0.913 -4.458 446 HG LEU 56 HG LEU 56 5.092 3.229 -5.459 447 HD11 LEU 56 1HD1 LEU 56 3.591 3.890 -3.658 448 HD12 LEU 56 2HD1 LEU 56 5.261 3.853 -3.101 449 HD13 LEU 56 3HD1 LEU 56 4.160 2.545 -2.674 450 HD21 LEU 56 1HD2 LEU 56 5.798 0.830 -3.792 451 HD22 LEU 56 2HD2 LEU 56 6.817 2.259 -3.951 452 HD23 LEU 56 3HD2 LEU 56 6.458 1.271 -5.366 453 H PHE 57 H PHE 57 1.857 0.066 -7.663 454 HA PHE 57 HA PHE 57 2.384 -2.751 -7.149 455 HB2 PHE 57 1HB PHE 57 1.007 -2.162 -5.237 456 HB3 PHE 57 2HB PHE 57 -0.145 -1.331 -6.272 457 HD1 PHE 57 HD1 PHE 57 1.118 -4.622 -5.223 458 HD2 PHE 57 HD2 PHE 57 -1.831 -2.531 -7.476 459 HE1 PHE 57 HE1 PHE 57 -0.195 -6.692 -5.426 460 HE2 PHE 57 HE2 PHE 57 -3.144 -4.600 -7.682 461 HZ PHE 57 HZ PHE 57 -2.326 -6.682 -6.655 462 H ASP 58 H ASP 58 1.570 -4.082 -8.685 463 HA ASP 58 HA ASP 58 -0.119 -2.912 -10.792 464 HB2 ASP 58 1HB ASP 58 2.178 -2.993 -11.625 465 HB3 ASP 58 2HB ASP 58 2.321 -4.677 -11.146 466 H ASP 59 H ASP 59 -1.636 -4.368 -11.701 467 HA ASP 59 HA ASP 59 -2.440 -6.421 -9.846 468 HB2 ASP 59 1HB ASP 59 -4.437 -6.621 -11.145 469 HB3 ASP 59 2HB ASP 59 -4.053 -4.917 -11.046 470 H THR 60 H THR 60 -0.447 -6.331 -12.539 471 HA THR 60 HA THR 60 -0.836 -9.146 -13.186 472 HB THR 60 HB THR 60 0.785 -6.955 -14.467 473 HG1 THR 60 HG1 THR 60 -1.286 -6.776 -15.110 474 HG21 THR 60 1HG2 THR 60 0.601 -9.846 -15.306 475 HG22 THR 60 2HG2 THR 60 2.028 -9.048 -14.646 476 HG23 THR 60 3HG2 THR 60 1.385 -8.553 -16.213 477 H GLU 61 H GLU 61 1.966 -7.010 -12.566 478 HA GLU 61 HA GLU 61 3.655 -9.243 -11.911 479 HB2 GLU 61 1HB GLU 61 4.325 -6.352 -11.441 480 HB3 GLU 61 2HB GLU 61 5.404 -7.693 -11.782 481 HG2 GLU 61 1HG GLU 61 4.589 -7.836 -14.044 482 HG3 GLU 61 2HG GLU 61 3.423 -6.553 -13.726 483 H GLY 62 H GLY 62 1.531 -7.241 -10.125 484 HA2 GLY 62 1HA GLY 62 0.979 -7.453 -7.868 485 HA3 GLY 62 2HA GLY 62 2.422 -8.450 -7.636 486 HA PRO 63 HA PRO 63 3.340 -4.437 -5.502 487 HB2 PRO 63 1HB PRO 63 5.051 -6.346 -4.003 488 HB3 PRO 63 2HB PRO 63 3.947 -5.102 -3.400 489 HG2 PRO 63 1HG PRO 63 3.330 -7.708 -3.251 490 HG3 PRO 63 2HG PRO 63 2.098 -6.468 -3.558 491 HD2 PRO 63 1HD PRO 63 3.402 -8.371 -5.474 492 HD3 PRO 63 2HD PRO 63 1.716 -7.796 -5.418 493 H LEU 64 H LEU 64 4.811 -3.228 -6.475 494 HA LEU 64 HA LEU 64 6.983 -4.447 -7.947 495 HB2 LEU 64 1HB LEU 64 6.453 -1.499 -7.582 496 HB3 LEU 64 2HB LEU 64 7.389 -2.269 -8.844 497 HG LEU 64 HG LEU 64 4.410 -2.597 -8.516 498 HD11 LEU 64 1HD1 LEU 64 4.234 -1.178 -10.501 499 HD12 LEU 64 2HD1 LEU 64 5.973 -0.898 -10.448 500 HD13 LEU 64 3HD1 LEU 64 4.948 -0.312 -9.140 501 HD21 LEU 64 1HD2 LEU 64 4.479 -3.659 -10.666 502 HD22 LEU 64 2HD2 LEU 64 5.598 -4.485 -9.571 503 HD23 LEU 64 3HD2 LEU 64 6.217 -3.372 -10.791 504 H VAL 65 H VAL 65 8.229 -5.309 -6.354 505 HA VAL 65 HA VAL 65 8.929 -4.322 -3.915 506 HB VAL 65 HB VAL 65 10.602 -6.031 -5.738 507 HG11 VAL 65 1HG1 VAL 65 11.999 -5.050 -4.006 508 HG12 VAL 65 2HG1 VAL 65 11.758 -6.771 -3.703 509 HG13 VAL 65 3HG1 VAL 65 10.861 -5.577 -2.766 510 HG21 VAL 65 1HG2 VAL 65 9.698 -7.860 -4.308 511 HG22 VAL 65 2HG2 VAL 65 8.490 -7.047 -5.299 512 HG23 VAL 65 3HG2 VAL 65 8.612 -6.676 -3.579 513 H ASP 66 H ASP 66 10.629 -3.734 -6.976 514 HA ASP 66 HA ASP 66 12.871 -2.446 -5.910 515 HB2 ASP 66 1HB ASP 66 11.529 -2.136 -8.591 516 HB3 ASP 66 2HB ASP 66 13.064 -1.382 -8.180 517 H ASN 67 H ASN 67 9.903 -0.975 -7.244 518 HA ASN 67 HA ASN 67 10.624 1.658 -6.545 519 HB2 ASN 67 1HB ASN 67 7.943 0.434 -7.140 520 HB3 ASN 67 2HB ASN 67 8.177 2.154 -6.855 521 HD21 ASN 67 1HD2 ASN 67 7.142 1.135 -9.262 522 HD22 ASN 67 2HD2 ASN 67 8.291 1.441 -10.519 523 H LEU 68 H LEU 68 9.004 -0.911 -4.865 524 HA LEU 68 HA LEU 68 7.870 0.536 -2.755 525 HB2 LEU 68 1HB LEU 68 8.686 -2.309 -3.143 526 HB3 LEU 68 2HB LEU 68 8.204 -1.757 -1.546 527 HG LEU 68 HG LEU 68 6.463 -1.345 -3.962 528 HD11 LEU 68 1HD1 LEU 68 5.243 -3.352 -3.319 529 HD12 LEU 68 2HD1 LEU 68 6.421 -3.674 -2.047 530 HD13 LEU 68 3HD1 LEU 68 6.910 -3.741 -3.740 531 HD21 LEU 68 1HD2 LEU 68 5.996 0.011 -1.982 532 HD22 LEU 68 2HD2 LEU 68 5.878 -1.456 -1.011 533 HD23 LEU 68 3HD2 LEU 68 4.708 -1.152 -2.296 534 H VAL 69 H VAL 69 11.020 -1.058 -3.022 535 HA VAL 69 HA VAL 69 11.938 -0.290 -0.442 536 HB VAL 69 HB VAL 69 13.502 -1.065 -2.900 537 HG11 VAL 69 1HG1 VAL 69 14.293 -0.893 -0.004 538 HG12 VAL 69 2HG1 VAL 69 14.928 0.073 -1.336 539 HG13 VAL 69 3HG1 VAL 69 15.265 -1.656 -1.262 540 HG21 VAL 69 1HG2 VAL 69 12.643 -2.742 -0.552 541 HG22 VAL 69 2HG2 VAL 69 13.551 -3.284 -1.965 542 HG23 VAL 69 3HG2 VAL 69 11.879 -2.757 -2.143 543 H HIS 70 H HIS 70 12.328 1.050 -3.693 544 HA HIS 70 HA HIS 70 14.046 3.163 -3.185 545 HB2 HIS 70 1HB HIS 70 13.518 2.734 -5.439 546 HB3 HIS 70 2HB HIS 70 11.790 2.769 -5.133 547 HD1 HIS 70 HD1 HIS 70 14.729 5.100 -5.573 548 HD2 HIS 70 HD2 HIS 70 10.578 5.204 -5.454 549 HE1 HIS 70 HE1 HIS 70 14.088 7.406 -6.336 550 HE2 HIS 70 HE2 HIS 70 11.572 7.367 -6.456 551 H GLN 71 H GLN 71 10.600 2.922 -2.601 552 HA GLN 71 HA GLN 71 10.360 5.719 -1.883 553 HB2 GLN 71 1HB GLN 71 8.576 4.584 -3.146 554 HB3 GLN 71 2HB GLN 71 8.333 3.475 -1.807 555 HG2 GLN 71 1HG GLN 71 6.628 5.178 -1.794 556 HG3 GLN 71 2HG GLN 71 7.665 5.332 -0.375 557 HE21 GLN 71 1HE2 GLN 71 7.243 7.451 -0.002 558 HE22 GLN 71 2HE2 GLN 71 7.759 8.725 -1.047 559 H LEU 72 H LEU 72 9.666 2.636 -0.238 560 HA LEU 72 HA LEU 72 9.144 3.822 2.248 561 HB2 LEU 72 1HB LEU 72 9.839 0.983 1.528 562 HB3 LEU 72 2HB LEU 72 9.385 1.484 3.146 563 HG LEU 72 HG LEU 72 7.635 1.793 0.705 564 HD11 LEU 72 1HD1 LEU 72 7.953 -0.559 1.241 565 HD12 LEU 72 2HD1 LEU 72 6.323 -0.049 1.690 566 HD13 LEU 72 3HD1 LEU 72 7.562 -0.246 2.932 567 HD21 LEU 72 1HD2 LEU 72 7.146 2.269 3.642 568 HD22 LEU 72 2HD2 LEU 72 5.865 2.163 2.433 569 HD23 LEU 72 3HD2 LEU 72 7.066 3.449 2.330 570 H ALA 73 H ALA 73 12.081 2.188 1.053 571 HA ALA 73 HA ALA 73 13.463 2.474 3.529 572 HB1 ALA 73 1HB ALA 73 15.353 1.552 2.384 573 HB2 ALA 73 2HB ALA 73 14.600 1.864 0.820 574 HB3 ALA 73 3HB ALA 73 13.897 0.675 1.914 575 H HIS 74 H HIS 74 12.472 4.987 2.490 576 HA HIS 74 HA HIS 74 14.610 6.508 1.374 577 HB2 HIS 74 1HB HIS 74 12.217 7.165 1.159 578 HB3 HIS 74 2HB HIS 74 12.171 7.488 2.893 579 HD1 HIS 74 HD1 HIS 74 12.779 9.792 3.602 580 HD2 HIS 74 HD2 HIS 74 14.043 8.960 -0.268 581 HE1 HIS 74 HE1 HIS 74 13.673 11.960 2.703 582 HE2 HIS 74 HE2 HIS 74 14.665 11.358 0.470 583 H GLY 75 H GLY 75 16.438 6.244 2.600 584 HA2 GLY 75 1HA GLY 75 17.882 7.204 4.191 585 HA3 GLY 75 2HA GLY 75 16.481 7.719 5.120 586 H ARG 76 H ARG 76 16.722 4.475 3.921 587 HA ARG 76 HA ARG 76 17.698 3.468 6.474 588 HB2 ARG 76 1HB ARG 76 14.923 3.190 5.502 589 HB3 ARG 76 2HB ARG 76 15.663 1.723 6.133 590 HG2 ARG 76 1HG ARG 76 16.237 3.070 8.189 591 HG3 ARG 76 2HG ARG 76 15.168 4.320 7.554 592 HD2 ARG 76 1HD ARG 76 13.341 2.671 7.479 593 HD3 ARG 76 2HD ARG 76 14.415 1.476 8.199 594 HE ARG 76 HE ARG 76 14.301 3.807 9.800 595 HH11 ARG 76 1HH1 ARG 76 12.451 0.951 8.957 596 HH12 ARG 76 2HH1 ARG 76 11.544 0.954 10.433 597 HH21 ARG 76 1HH2 ARG 76 13.118 3.794 11.746 598 HH22 ARG 76 2HH2 ARG 76 11.922 2.566 12.022 599 H ASP 77 H ASP 77 18.173 1.162 6.394 600 HA ASP 77 HA ASP 77 19.616 0.385 4.146 601 HB2 ASP 77 1HB ASP 77 18.507 -1.256 6.421 602 HB3 ASP 77 2HB ASP 77 19.632 -1.880 5.220 603 H ALA 78 H ALA 78 18.875 0.016 2.257 604 HA ALA 78 HA ALA 78 16.242 -0.359 1.512 605 HB1 ALA 78 1HB ALA 78 18.013 0.507 0.067 606 HB2 ALA 78 2HB ALA 78 17.111 -0.799 -0.702 607 HB3 ALA 78 3HB ALA 78 18.713 -1.108 -0.031 608 H GLU 79 H GLU 79 18.791 -2.796 1.874 609 HA GLU 79 HA GLU 79 17.313 -4.922 0.749 610 HB2 GLU 79 1HB GLU 79 19.693 -4.891 2.588 611 HB3 GLU 79 2HB GLU 79 19.022 -6.365 1.905 612 HG2 GLU 79 1HG GLU 79 19.437 -5.528 -0.339 613 HG3 GLU 79 2HG GLU 79 20.102 -4.043 0.331 614 H GLU 80 H GLU 80 17.713 -3.809 4.067 615 HA GLU 80 HA GLU 80 16.304 -5.868 5.349 616 HB2 GLU 80 1HB GLU 80 16.890 -3.016 6.017 617 HB3 GLU 80 2HB GLU 80 15.790 -3.939 7.028 618 HG2 GLU 80 1HG GLU 80 18.168 -3.891 7.795 619 HG3 GLU 80 2HG GLU 80 17.466 -5.487 7.606 620 H VAL 81 H VAL 81 15.192 -2.705 4.181 621 HA VAL 81 HA VAL 81 12.468 -3.009 4.690 622 HB VAL 81 HB VAL 81 13.892 -1.453 2.541 623 HG11 VAL 81 1HG1 VAL 81 11.607 -1.784 1.809 624 HG12 VAL 81 2HG1 VAL 81 11.817 -0.119 2.355 625 HG13 VAL 81 3HG1 VAL 81 11.003 -1.295 3.392 626 HG21 VAL 81 1HG2 VAL 81 12.793 -0.723 5.236 627 HG22 VAL 81 2HG2 VAL 81 13.407 0.438 4.059 628 HG23 VAL 81 3HG2 VAL 81 14.485 -0.776 4.745 629 H ARG 82 H ARG 82 14.323 -3.758 1.746 630 HA ARG 82 HA ARG 82 12.371 -4.784 0.102 631 HB2 ARG 82 1HB ARG 82 14.791 -4.457 -0.422 632 HB3 ARG 82 2HB ARG 82 15.138 -5.928 0.472 633 HG2 ARG 82 1HG ARG 82 13.646 -7.149 -1.100 634 HG3 ARG 82 2HG ARG 82 13.526 -5.663 -2.041 635 HD2 ARG 82 1HD ARG 82 15.977 -5.639 -2.256 636 HD3 ARG 82 2HD ARG 82 16.048 -7.174 -1.400 637 HE ARG 82 HE ARG 82 14.430 -7.793 -3.424 638 HH11 ARG 82 1HH1 ARG 82 17.442 -6.011 -3.390 639 HH12 ARG 82 2HH1 ARG 82 17.926 -6.550 -4.967 640 HH21 ARG 82 1HH2 ARG 82 15.059 -8.498 -5.502 641 HH22 ARG 82 2HH2 ARG 82 16.571 -7.963 -6.171 642 H THR 83 H THR 83 14.169 -6.410 2.664 643 HA THR 83 HA THR 83 13.160 -8.997 2.283 644 HB THR 83 HB THR 83 14.360 -7.573 4.644 645 HG1 THR 83 HG1 THR 83 15.676 -8.166 2.824 646 HG21 THR 83 1HG2 THR 83 12.862 -9.252 5.576 647 HG22 THR 83 2HG2 THR 83 14.543 -9.745 5.785 648 HG23 THR 83 3HG2 THR 83 13.559 -10.483 4.523 649 H GLU 84 H GLU 84 12.198 -6.482 4.626 650 HA GLU 84 HA GLU 84 10.029 -7.782 5.767 651 HB2 GLU 84 1HB GLU 84 10.281 -4.812 5.286 652 HB3 GLU 84 2HB GLU 84 9.306 -5.601 6.519 653 HG2 GLU 84 1HG GLU 84 11.381 -6.504 7.506 654 HG3 GLU 84 2HG GLU 84 12.303 -5.564 6.337 655 H VAL 85 H VAL 85 10.127 -5.686 2.894 656 HA VAL 85 HA VAL 85 7.413 -5.682 2.263 657 HB VAL 85 HB VAL 85 9.877 -5.516 0.533 658 HG11 VAL 85 1HG1 VAL 85 8.426 -4.834 -1.326 659 HG12 VAL 85 2HG1 VAL 85 7.009 -5.227 -0.349 660 HG13 VAL 85 3HG1 VAL 85 8.126 -6.503 -0.833 661 HG21 VAL 85 1HG2 VAL 85 9.178 -3.175 0.311 662 HG22 VAL 85 2HG2 VAL 85 9.457 -3.634 1.991 663 HG23 VAL 85 3HG2 VAL 85 7.808 -3.495 1.378 664 H LEU 86 H LEU 86 9.969 -7.927 1.211 665 HA LEU 86 HA LEU 86 8.403 -9.534 -0.441 666 HB2 LEU 86 1HB LEU 86 10.910 -10.142 1.113 667 HB3 LEU 86 2HB LEU 86 10.185 -11.267 -0.034 668 HG LEU 86 HG LEU 86 11.037 -8.485 -0.793 669 HD11 LEU 86 1HD1 LEU 86 12.591 -11.051 -1.074 670 HD12 LEU 86 2HD1 LEU 86 12.955 -9.753 0.063 671 HD13 LEU 86 3HD1 LEU 86 13.070 -9.464 -1.675 672 HD21 LEU 86 1HD2 LEU 86 9.437 -9.479 -2.288 673 HD22 LEU 86 2HD2 LEU 86 10.380 -10.967 -2.362 674 HD23 LEU 86 3HD2 LEU 86 11.025 -9.478 -3.054 675 H LYS 87 H LYS 87 8.780 -9.513 3.013 676 HA LYS 87 HA LYS 87 7.612 -12.099 3.457 677 HB2 LYS 87 1HB LYS 87 8.178 -9.763 5.282 678 HB3 LYS 87 2HB LYS 87 7.447 -11.262 5.843 679 HG2 LYS 87 1HG LYS 87 9.391 -12.515 5.173 680 HG3 LYS 87 2HG LYS 87 10.126 -11.059 4.482 681 HD2 LYS 87 1HD LYS 87 10.267 -10.058 6.674 682 HD3 LYS 87 2HD LYS 87 9.416 -11.430 7.390 683 HE2 LYS 87 1HE LYS 87 12.100 -11.520 6.020 684 HE3 LYS 87 2HE LYS 87 11.822 -11.596 7.759 685 HZ1 LYS 87 1HZ LYS 87 10.844 -13.583 5.782 686 HZ2 LYS 87 2HZ LYS 87 10.632 -13.663 7.457 687 HZ3 LYS 87 3HZ LYS 87 12.180 -13.787 6.794 688 H CYS 88 H CYS 88 6.380 -9.201 2.465 689 HA CYS 88 HA CYS 88 3.702 -9.865 3.462 690 HB2 CYS 88 1HB CYS 88 5.009 -7.262 2.754 691 HB3 CYS 88 2HB CYS 88 3.239 -7.406 2.734 692 H VAL 89 H VAL 89 5.721 -9.842 0.764 693 HA VAL 89 HA VAL 89 3.694 -9.553 -1.251 694 HB VAL 89 HB VAL 89 6.500 -10.658 -1.457 695 HG11 VAL 89 1HG1 VAL 89 5.157 -11.490 -3.262 696 HG12 VAL 89 2HG1 VAL 89 6.208 -10.219 -3.887 697 HG13 VAL 89 3HG1 VAL 89 4.504 -9.882 -3.570 698 HG21 VAL 89 1HG2 VAL 89 7.012 -8.468 -2.505 699 HG22 VAL 89 2HG2 VAL 89 6.568 -8.344 -0.804 700 HG23 VAL 89 3HG2 VAL 89 5.400 -7.914 -2.053 701 H ASP 90 H ASP 90 2.496 -11.113 -2.127 702 HA ASP 90 HA ASP 90 3.189 -13.899 -1.868 703 HB2 ASP 90 1HB ASP 90 1.806 -13.041 0.214 704 HB3 ASP 90 2HB ASP 90 0.450 -13.171 -0.909 705 H LYS 91 H LYS 91 1.243 -15.205 -2.895 706 HA LYS 91 HA LYS 91 0.869 -13.991 -5.524 707 HB2 LYS 91 1HB LYS 91 0.103 -16.785 -4.713 708 HB3 LYS 91 2HB LYS 91 0.482 -16.167 -6.317 709 HG2 LYS 91 1HG LYS 91 2.803 -15.848 -5.638 710 HG3 LYS 91 2HG LYS 91 2.421 -16.525 -4.058 711 HD2 LYS 91 1HD LYS 91 1.829 -18.640 -5.064 712 HD3 LYS 91 2HD LYS 91 2.078 -17.972 -6.678 713 HE2 LYS 91 1HE LYS 91 4.196 -18.267 -4.551 714 HE3 LYS 91 2HE LYS 91 3.982 -19.337 -5.936 715 HZ1 LYS 91 1HZ LYS 91 4.434 -17.464 -7.401 716 HZ2 LYS 91 2HZ LYS 91 5.722 -17.712 -6.333 717 HZ3 LYS 91 3HZ LYS 91 4.641 -16.443 -6.068 718 H ASN 92 H ASN 92 -1.133 -13.978 -6.600 719 HA ASN 92 HA ASN 92 -3.305 -13.150 -4.895 720 HB2 ASN 92 1HB ASN 92 -2.733 -12.017 -7.048 721 HB3 ASN 92 2HB ASN 92 -3.257 -13.464 -7.894 722 HD21 ASN 92 1HD2 ASN 92 -4.752 -12.139 -8.994 723 HD22 ASN 92 2HD2 ASN 92 -6.247 -11.684 -8.259 724 H THR 93 H THR 93 -3.405 -15.323 -3.899 725 HA THR 93 HA THR 93 -4.660 -17.446 -5.376 726 HB THR 93 HB THR 93 -4.818 -18.502 -3.090 727 HG1 THR 93 HG1 THR 93 -4.574 -17.171 -1.456 728 HG21 THR 93 1HG2 THR 93 -2.926 -18.946 -4.536 729 HG22 THR 93 2HG2 THR 93 -2.390 -18.817 -2.862 730 HG23 THR 93 3HG2 THR 93 -2.126 -17.477 -3.979 731 H ASP 94 H ASP 94 -5.736 -14.642 -3.792 732 HA ASP 94 HA ASP 94 -8.329 -15.671 -3.037 733 HB2 ASP 94 1HB ASP 94 -7.351 -12.809 -3.189 734 HB3 ASP 94 2HB ASP 94 -8.871 -13.342 -2.463 735 H ASN 95 H ASN 95 -6.844 -14.463 -5.805 736 HA ASN 95 HA ASN 95 -7.494 -14.118 -7.920 737 HB2 ASN 95 1HB ASN 95 -10.041 -15.400 -6.965 738 HB3 ASN 95 2HB ASN 95 -9.723 -14.985 -8.641 739 HD21 ASN 95 1HD2 ASN 95 -10.181 -17.561 -7.359 740 HD22 ASN 95 2HD2 ASN 95 -8.799 -18.535 -7.756 741 H ASN 96 H ASN 96 -8.205 -12.170 -5.645 742 HA ASN 96 HA ASN 96 -9.564 -10.352 -7.508 743 HB2 ASN 96 1HB ASN 96 -10.027 -9.467 -4.810 744 HB3 ASN 96 2HB ASN 96 -11.201 -9.834 -6.067 745 HD21 ASN 96 1HD2 ASN 96 -12.194 -11.838 -6.095 746 HD22 ASN 96 2HD2 ASN 96 -12.128 -12.912 -4.742 747 H ALA 97 H ALA 97 -8.231 -8.822 -8.064 748 HA ALA 97 HA ALA 97 -5.684 -8.494 -6.934 749 HB1 ALA 97 1HB ALA 97 -7.174 -6.631 -8.775 750 HB2 ALA 97 2HB ALA 97 -6.186 -8.004 -9.273 751 HB3 ALA 97 3HB ALA 97 -5.437 -6.623 -8.471 752 H CYS 98 H CYS 98 -8.723 -6.846 -6.312 753 HA CYS 98 HA CYS 98 -7.713 -4.610 -4.922 754 HB2 CYS 98 1HB CYS 98 -10.302 -6.097 -4.421 755 HB3 CYS 98 2HB CYS 98 -9.908 -4.490 -3.826 756 H HIS 99 H HIS 99 -8.440 -7.902 -3.840 757 HA HIS 99 HA HIS 99 -7.839 -7.287 -1.096 758 HB2 HIS 99 1HB HIS 99 -9.434 -9.103 -1.838 759 HB3 HIS 99 2HB HIS 99 -8.032 -10.030 -2.360 760 HD1 HIS 99 HD1 HIS 99 -7.078 -11.567 -0.636 761 HD2 HIS 99 HD2 HIS 99 -9.318 -8.491 1.053 762 HE1 HIS 99 HE1 HIS 99 -7.171 -12.055 1.824 763 HE2 HIS 99 HE2 HIS 99 -8.725 -10.325 2.767 764 H TRP 100 H TRP 100 -6.167 -8.471 -3.881 765 HA TRP 100 HA TRP 100 -3.926 -9.638 -2.686 766 HB2 TRP 100 1HB TRP 100 -4.547 -9.811 -5.103 767 HB3 TRP 100 2HB TRP 100 -4.010 -8.146 -5.326 768 HD1 TRP 100 HD1 TRP 100 -1.669 -9.816 -3.027 769 HE1 TRP 100 HE1 TRP 100 0.431 -10.608 -4.279 770 HE3 TRP 100 HE3 TRP 100 -3.328 -9.286 -7.835 771 HZ2 TRP 100 HZ2 TRP 100 1.275 -10.981 -6.938 772 HZ3 TRP 100 HZ3 TRP 100 -1.812 -9.885 -9.674 773 HH2 TRP 100 HH2 TRP 100 0.440 -10.718 -9.243 774 H ALA 101 H ALA 101 -4.271 -6.359 -4.034 775 HA ALA 101 HA ALA 101 -1.807 -5.369 -3.127 776 HB1 ALA 101 1HB ALA 101 -2.726 -3.165 -3.606 777 HB2 ALA 101 2HB ALA 101 -4.348 -3.852 -3.696 778 HB3 ALA 101 3HB ALA 101 -3.133 -4.306 -4.889 779 H PHE 102 H PHE 102 -4.980 -5.500 -1.666 780 HA PHE 102 HA PHE 102 -4.475 -3.730 0.453 781 HB2 PHE 102 1HB PHE 102 -6.720 -4.343 -0.301 782 HB3 PHE 102 2HB PHE 102 -6.489 -5.974 0.318 783 HD1 PHE 102 HD1 PHE 102 -7.152 -6.465 2.500 784 HD2 PHE 102 HD2 PHE 102 -6.482 -2.412 1.378 785 HE1 PHE 102 HE1 PHE 102 -8.016 -5.721 4.678 786 HE2 PHE 102 HE2 PHE 102 -7.340 -1.664 3.558 787 HZ PHE 102 HZ PHE 102 -8.108 -3.317 5.213 788 H ARG 103 H ARG 103 -3.893 -7.165 0.033 789 HA ARG 103 HA ARG 103 -3.424 -7.775 2.772 790 HB2 ARG 103 1HB ARG 103 -2.409 -9.125 0.277 791 HB3 ARG 103 2HB ARG 103 -2.165 -9.751 1.894 792 HG2 ARG 103 1HG ARG 103 -4.608 -9.900 2.158 793 HG3 ARG 103 2HG ARG 103 -4.794 -9.358 0.493 794 HD2 ARG 103 1HD ARG 103 -3.655 -11.917 1.524 795 HD3 ARG 103 2HD ARG 103 -4.919 -11.678 0.322 796 HE ARG 103 HE ARG 103 -2.422 -10.607 -0.538 797 HH11 ARG 103 1HH1 ARG 103 -4.282 -13.557 -0.290 798 HH12 ARG 103 2HH1 ARG 103 -3.311 -14.411 -1.440 799 HH21 ARG 103 1HH2 ARG 103 -1.160 -11.711 -2.064 800 HH22 ARG 103 2HH2 ARG 103 -1.549 -13.354 -2.481 801 H GLY 104 H GLY 104 -1.339 -6.886 0.063 802 HA2 GLY 104 1HA GLY 104 1.134 -7.124 1.379 803 HA3 GLY 104 2HA GLY 104 0.812 -6.097 -0.024 804 H PHE 105 H PHE 105 -1.036 -4.355 0.997 805 HA PHE 105 HA PHE 105 0.633 -2.499 2.291 806 HB2 PHE 105 1HB PHE 105 -1.031 -1.654 0.840 807 HB3 PHE 105 2HB PHE 105 -2.305 -2.530 1.675 808 HD1 PHE 105 HD1 PHE 105 0.418 -0.300 2.895 809 HD2 PHE 105 HD2 PHE 105 -3.777 -0.971 2.568 810 HE1 PHE 105 HE1 PHE 105 -0.011 1.709 4.245 811 HE2 PHE 105 HE2 PHE 105 -4.204 1.033 3.924 812 HZ PHE 105 HZ PHE 105 -2.318 2.375 4.766 813 H LYS 106 H LYS 106 -2.082 -4.464 3.428 814 HA LYS 106 HA LYS 106 -2.160 -3.267 5.985 815 HB2 LYS 106 1HB LYS 106 -4.177 -4.173 5.391 816 HB3 LYS 106 2HB LYS 106 -3.475 -5.659 4.751 817 HG2 LYS 106 1HG LYS 106 -3.188 -6.528 6.945 818 HG3 LYS 106 2HG LYS 106 -3.509 -4.951 7.674 819 HD2 LYS 106 1HD LYS 106 -5.819 -5.063 6.734 820 HD3 LYS 106 2HD LYS 106 -5.469 -6.705 6.199 821 HE2 LYS 106 1HE LYS 106 -5.171 -7.446 8.460 822 HE3 LYS 106 2HE LYS 106 -5.280 -5.796 9.068 823 HZ1 LYS 106 1HZ LYS 106 -7.340 -6.975 9.410 824 HZ2 LYS 106 2HZ LYS 106 -7.475 -7.318 7.760 825 HZ3 LYS 106 3HZ LYS 106 -7.577 -5.717 8.306 826 H CYS 107 H CYS 107 -0.613 -6.141 4.696 827 HA CYS 107 HA CYS 107 0.261 -7.278 7.096 828 HB2 CYS 107 1HB CYS 107 0.359 -8.631 5.175 829 HB3 CYS 107 2HB CYS 107 1.253 -7.430 4.254 830 H PHE 108 H PHE 108 1.698 -4.826 5.001 831 HA PHE 108 HA PHE 108 4.206 -4.819 6.377 832 HB2 PHE 108 1HB PHE 108 3.867 -4.250 3.954 833 HB3 PHE 108 2HB PHE 108 3.135 -2.735 4.481 834 HD1 PHE 108 HD1 PHE 108 6.226 -4.609 4.057 835 HD2 PHE 108 HD2 PHE 108 4.513 -1.003 5.540 836 HE1 PHE 108 HE1 PHE 108 8.457 -3.585 4.149 837 HE2 PHE 108 HE2 PHE 108 6.746 0.025 5.627 838 HZ PHE 108 HZ PHE 108 8.720 -1.266 4.928 839 H GLN 109 H GLN 109 1.465 -2.528 6.205 840 HA GLN 109 HA GLN 109 2.541 -0.633 7.975 841 HB2 GLN 109 1HB GLN 109 0.341 0.314 8.106 842 HB3 GLN 109 2HB GLN 109 0.638 -0.194 6.452 843 HG2 GLN 109 1HG GLN 109 -1.405 -1.079 6.599 844 HG3 GLN 109 2HG GLN 109 -0.600 -2.387 7.473 845 HE21 GLN 109 1HE2 GLN 109 -3.349 -1.433 7.679 846 HE22 GLN 109 2HE2 GLN 109 -3.578 -0.988 9.332 847 H LYS 110 H LYS 110 1.102 -3.687 8.529 848 HA LYS 110 HA LYS 110 0.033 -3.421 11.083 849 HB2 LYS 110 1HB LYS 110 -0.283 -5.385 9.660 850 HB3 LYS 110 2HB LYS 110 1.421 -5.771 9.794 851 HG2 LYS 110 1HG LYS 110 1.187 -6.207 12.145 852 HG3 LYS 110 2HG LYS 110 -0.517 -5.755 12.082 853 HD2 LYS 110 1HD LYS 110 -0.956 -7.593 10.540 854 HD3 LYS 110 2HD LYS 110 0.753 -8.033 10.564 855 HE2 LYS 110 1HE LYS 110 -0.478 -9.497 12.031 856 HE3 LYS 110 2HE LYS 110 0.579 -8.458 12.984 857 HZ1 LYS 110 1HZ LYS 110 -1.336 -7.043 13.458 858 HZ2 LYS 110 2HZ LYS 110 -1.582 -8.623 13.998 859 HZ3 LYS 110 3HZ LYS 110 -2.339 -8.087 12.584 860 H ASN 111 H ASN 111 3.355 -3.799 10.013 861 HA ASN 111 HA ASN 111 4.218 -3.747 12.832 862 HB2 ASN 111 1HB ASN 111 5.698 -4.875 10.449 863 HB3 ASN 111 2HB ASN 111 6.274 -4.859 12.113 864 HD21 ASN 111 1HD2 ASN 111 5.343 -6.243 13.619 865 HD22 ASN 111 2HD2 ASN 111 4.377 -7.595 13.144 866 H ASN 112 H ASN 112 4.478 -2.262 9.704 867 HA ASN 112 HA ASN 112 6.481 -0.397 10.785 868 HB2 ASN 112 1HB ASN 112 6.484 -1.693 8.053 869 HB3 ASN 112 2HB ASN 112 7.531 -0.351 8.527 870 HD21 ASN 112 1HD2 ASN 112 7.952 -3.247 7.756 871 HD22 ASN 112 2HD2 ASN 112 9.038 -3.835 8.968 872 H LEU 113 H LEU 113 4.207 0.665 11.088 873 HA LEU 113 HA LEU 113 3.176 1.833 8.643 874 HB2 LEU 113 1HB LEU 113 1.534 1.183 10.244 875 HB3 LEU 113 2HB LEU 113 2.309 2.111 11.513 876 HG LEU 113 HG LEU 113 1.741 4.189 10.247 877 HD11 LEU 113 1HD1 LEU 113 0.080 2.338 8.552 878 HD12 LEU 113 2HD1 LEU 113 1.579 3.102 8.033 879 HD13 LEU 113 3HD1 LEU 113 0.176 4.093 8.425 880 HD21 LEU 113 1HD2 LEU 113 -0.593 2.415 10.944 881 HD22 LEU 113 2HD2 LEU 113 -0.623 4.176 10.832 882 HD23 LEU 113 3HD2 LEU 113 0.338 3.386 12.082 883 H SER 114 H SER 114 5.190 2.766 11.334 884 HA SER 114 HA SER 114 4.975 5.576 10.975 885 HB2 SER 114 1HB SER 114 5.886 4.467 13.045 886 HB3 SER 114 2HB SER 114 7.350 4.093 12.134 887 HG SER 114 HG SER 114 7.331 6.492 11.706 888 H LEU 115 H LEU 115 7.064 3.109 9.594 889 HA LEU 115 HA LEU 115 8.823 4.788 8.192 890 HB2 LEU 115 1HB LEU 115 9.176 2.379 8.507 891 HB3 LEU 115 2HB LEU 115 7.817 2.046 7.455 892 HG LEU 115 HG LEU 115 9.049 3.162 5.595 893 HD11 LEU 115 1HD1 LEU 115 11.493 3.455 5.906 894 HD12 LEU 115 2HD1 LEU 115 11.258 3.199 7.636 895 HD13 LEU 115 3HD1 LEU 115 10.515 4.585 6.842 896 HD21 LEU 115 1HD2 LEU 115 10.577 1.307 5.197 897 HD22 LEU 115 2HD2 LEU 115 9.041 0.730 5.845 898 HD23 LEU 115 3HD2 LEU 115 10.458 0.831 6.890 899 H ILE 116 H ILE 116 5.610 3.588 7.472 900 HA ILE 116 HA ILE 116 5.535 4.361 4.752 901 HB ILE 116 HB ILE 116 3.247 3.954 6.695 902 HG12 ILE 116 1HG1 ILE 116 4.553 2.069 4.714 903 HG13 ILE 116 2HG1 ILE 116 4.635 1.958 6.478 904 HG21 ILE 116 1HG2 ILE 116 1.876 3.608 4.684 905 HG22 ILE 116 2HG2 ILE 116 3.257 4.051 3.682 906 HG23 ILE 116 3HG2 ILE 116 2.533 5.245 4.763 907 HD11 ILE 116 1HD1 ILE 116 2.135 1.694 6.449 908 HD12 ILE 116 2HD1 ILE 116 3.060 0.363 5.757 909 HD13 ILE 116 3HD1 ILE 116 2.259 1.521 4.699 910 H LYS 117 H LYS 117 4.587 5.931 7.762 911 HA LYS 117 HA LYS 117 3.482 8.267 6.652 912 HB2 LYS 117 1HB LYS 117 4.778 7.743 9.321 913 HB3 LYS 117 2HB LYS 117 4.027 9.277 8.909 914 HG2 LYS 117 1HG LYS 117 1.890 8.136 8.569 915 HG3 LYS 117 2HG LYS 117 2.636 6.597 8.991 916 HD2 LYS 117 1HD LYS 117 3.132 7.433 11.229 917 HD3 LYS 117 2HD LYS 117 2.456 9.006 10.810 918 HE2 LYS 117 1HE LYS 117 0.264 7.988 10.483 919 HE3 LYS 117 2HE LYS 117 0.935 6.400 10.852 920 HZ1 LYS 117 1HZ LYS 117 0.905 8.696 12.731 921 HZ2 LYS 117 2HZ LYS 117 1.421 7.125 13.072 922 HZ3 LYS 117 3HZ LYS 117 -0.208 7.426 12.744 923 H ALA 118 H ALA 118 6.746 7.503 7.795 924 HA ALA 118 HA ALA 118 7.871 10.042 7.224 925 HB1 ALA 118 1HB ALA 118 10.001 8.950 7.592 926 HB2 ALA 118 2HB ALA 118 9.223 7.370 7.482 927 HB3 ALA 118 3HB ALA 118 8.828 8.455 8.813 928 H SER 119 H SER 119 7.412 7.144 5.338 929 HA SER 119 HA SER 119 9.207 7.605 3.266 930 HB2 SER 119 1HB SER 119 8.015 5.479 3.578 931 HB3 SER 119 2HB SER 119 6.499 6.258 3.125 932 HG SER 119 HG SER 119 8.795 5.868 1.501 933 H ILE 120 H ILE 120 5.831 8.689 3.596 934 HA ILE 120 HA ILE 120 5.970 10.086 1.053 935 HB ILE 120 HB ILE 120 3.637 10.789 1.563 936 HG12 ILE 120 1HG1 ILE 120 3.840 8.919 3.923 937 HG13 ILE 120 2HG1 ILE 120 3.957 10.672 4.070 938 HG21 ILE 120 1HG2 ILE 120 2.660 8.546 1.305 939 HG22 ILE 120 2HG2 ILE 120 4.216 7.839 1.735 940 HG23 ILE 120 3HG2 ILE 120 4.059 8.794 0.261 941 HD11 ILE 120 1HD1 ILE 120 1.727 9.947 4.594 942 HD12 ILE 120 2HD1 ILE 120 1.603 9.109 3.048 943 HD13 ILE 120 3HD1 ILE 120 1.712 10.868 3.091 944 H LYS 121 H LYS 121 7.073 10.738 4.039 945 HA LYS 121 HA LYS 121 6.394 13.564 4.080 946 HB2 LYS 121 1HB LYS 121 6.500 12.099 6.146 947 HB3 LYS 121 2HB LYS 121 8.240 12.038 5.922 948 HG2 LYS 121 1HG LYS 121 6.803 14.656 6.175 949 HG3 LYS 121 2HG LYS 121 7.270 13.726 7.597 950 HD2 LYS 121 1HD LYS 121 9.611 13.770 6.817 951 HD3 LYS 121 2HD LYS 121 9.114 14.767 5.448 952 HE2 LYS 121 1HE LYS 121 10.047 16.127 7.253 953 HE3 LYS 121 2HE LYS 121 8.347 16.502 6.973 954 HZ1 LYS 121 1HZ LYS 121 8.842 16.343 9.328 955 HZ2 LYS 121 2HZ LYS 121 9.394 14.757 9.137 956 HZ3 LYS 121 3HZ LYS 121 7.767 15.124 8.869 957 H LYS 122 H LYS 122 7.648 15.066 3.174 958 HA LYS 122 HA LYS 122 10.467 14.567 2.812 959 HB2 LYS 122 1HB LYS 122 9.870 13.644 0.798 960 HB3 LYS 122 2HB LYS 122 8.506 14.693 0.570 961 HG2 LYS 122 1HG LYS 122 10.006 15.354 -1.081 962 HG3 LYS 122 2HG LYS 122 10.281 16.542 0.192 963 HD2 LYS 122 1HD LYS 122 11.934 14.066 0.198 964 HD3 LYS 122 2HD LYS 122 12.283 15.295 -1.017 965 HE2 LYS 122 1HE LYS 122 12.121 15.833 1.943 966 HE3 LYS 122 2HE LYS 122 13.620 15.504 1.075 967 HZ1 LYS 122 1HZ LYS 122 13.024 17.915 1.447 968 HZ2 LYS 122 2HZ LYS 122 11.807 17.703 0.285 969 HZ3 LYS 122 3HZ LYS 122 13.426 17.475 -0.139 970 H ASP 123 H ASP 123 10.955 16.248 4.112 971 HA ASP 123 HA ASP 123 9.686 18.828 3.734 972 HB2 ASP 123 1HB ASP 123 10.948 19.521 5.722 973 HB3 ASP 123 2HB ASP 123 10.062 18.032 6.023 974 H21 ACD 201 H21 ACD 1 -4.736 5.058 1.607 975 H22 ACD 201 H22 ACD 1 -3.623 5.456 2.924 976 H31 ACD 201 H31 ACD 1 -2.193 6.719 1.394 977 H32 ACD 201 H32 ACD 1 -3.329 6.485 0.066 978 H41 ACD 201 H41 ACD 1 -2.955 4.006 0.221 979 H42 ACD 201 H42 ACD 1 -1.468 4.892 -0.151 980 H5 ACD 201 H5 ACD 1 -2.125 3.485 2.496 981 H6 ACD 201 H6 ACD 1 0.182 3.959 2.936 982 H71 ACD 201 H71 ACD 1 0.712 4.837 0.251 983 H72 ACD 201 H72 ACD 1 -0.195 6.189 0.929 984 H8 ACD 201 H8 ACD 1 1.624 6.586 2.632 985 H9 ACD 201 H9 ACD 1 3.752 5.686 2.036 986 H101 ACD 201 H101 ACD 1 2.698 4.763 -0.518 987 H102 ACD 201 H102 ACD 1 2.281 3.491 0.636 988 H11 ACD 201 H11 ACD 1 5.211 4.460 0.500 989 H12 ACD 201 H12 ACD 1 5.620 2.143 0.178 990 H131 ACD 201 H131 ACD 1 2.652 2.072 -0.539 991 H132 ACD 201 H132 ACD 1 3.799 0.732 -0.654 992 H14 ACD 201 H14 ACD 1 2.632 1.725 2.049 993 H15 ACD 201 H15 ACD 1 2.608 -0.616 2.482 994 H161 ACD 201 H161 ACD 1 2.853 -1.258 -0.344 995 H162 ACD 201 H162 ACD 1 4.495 -0.862 0.171 996 H171 ACD 201 H171 ACD 1 4.508 -2.599 1.827 997 H172 ACD 201 H172 ACD 1 2.768 -2.848 1.689 998 H181 ACD 201 H181 ACD 1 4.809 -3.414 -0.506 999 H182 ACD 201 H182 ACD 1 3.067 -3.668 -0.645 1000 H191 ACD 201 H191 ACD 1 4.963 -5.069 1.293 1001 H192 ACD 201 H192 ACD 1 3.209 -5.237 1.350 1002 H201 ACD 201 H201 ACD 1 4.979 -5.980 -0.996 1003 H202 ACD 201 H202 ACD 1 3.255 -6.111 -0.980 1004 H203 ACD 201 H203 ACD 1 4.205 -7.087 0.087 Start of MODEL 17 1 H1 MET 1 1H MET 1 16.987 17.369 -16.504 2 H2 MET 1 2H MET 1 17.628 16.094 -15.598 3 H3 MET 1 3H MET 1 17.365 17.594 -14.873 4 HA MET 1 HA MET 1 15.013 17.379 -15.114 5 HB2 MET 1 1HB MET 1 14.039 15.276 -15.953 6 HB3 MET 1 2HB MET 1 14.967 16.106 -17.191 7 HG2 MET 1 1HG MET 1 16.853 14.575 -16.754 8 HG3 MET 1 2HG MET 1 15.848 13.712 -15.593 9 HE1 MET 1 1HE MET 1 16.434 14.634 -19.337 10 HE2 MET 1 2HE MET 1 14.810 15.275 -19.090 11 HE3 MET 1 3HE MET 1 15.057 13.879 -20.139 12 H GLU 2 H GLU 2 14.022 16.816 -13.264 13 HA GLU 2 HA GLU 2 15.572 15.147 -11.414 14 HB2 GLU 2 1HB GLU 2 13.412 17.183 -10.885 15 HB3 GLU 2 2HB GLU 2 14.238 16.248 -9.648 16 HG2 GLU 2 1HG GLU 2 15.451 18.283 -11.493 17 HG3 GLU 2 2HG GLU 2 15.193 18.437 -9.755 18 H PHE 3 H PHE 3 14.775 13.359 -10.509 19 HA PHE 3 HA PHE 3 12.265 12.319 -11.503 20 HB2 PHE 3 1HB PHE 3 14.149 10.792 -11.313 21 HB3 PHE 3 2HB PHE 3 14.282 11.127 -9.582 22 HD1 PHE 3 HD1 PHE 3 12.031 9.717 -12.163 23 HD2 PHE 3 HD2 PHE 3 13.067 9.865 -8.042 24 HE1 PHE 3 HE1 PHE 3 10.462 7.876 -11.707 25 HE2 PHE 3 HE2 PHE 3 11.500 8.023 -7.578 26 HZ PHE 3 HZ PHE 3 10.197 7.027 -9.412 27 H THR 4 H THR 4 10.407 12.158 -10.402 28 HA THR 4 HA THR 4 10.330 13.418 -7.739 29 HB THR 4 HB THR 4 7.773 13.032 -9.127 30 HG1 THR 4 HG1 THR 4 9.804 14.762 -10.171 31 HG21 THR 4 1HG2 THR 4 7.427 15.306 -8.349 32 HG22 THR 4 2HG2 THR 4 9.127 15.422 -7.891 33 HG23 THR 4 3HG2 THR 4 8.065 14.291 -7.054 34 H VAL 5 H VAL 5 9.771 12.300 -6.056 35 HA VAL 5 HA VAL 5 8.571 9.623 -6.400 36 HB VAL 5 HB VAL 5 9.513 8.949 -4.417 37 HG11 VAL 5 1HG1 VAL 5 11.371 11.110 -5.322 38 HG12 VAL 5 2HG1 VAL 5 11.329 9.432 -5.861 39 HG13 VAL 5 3HG1 VAL 5 11.792 9.815 -4.203 40 HG21 VAL 5 1HG2 VAL 5 9.676 11.807 -3.462 41 HG22 VAL 5 2HG2 VAL 5 10.127 10.375 -2.539 42 HG23 VAL 5 3HG2 VAL 5 8.444 10.635 -2.993 43 H SER 6 H SER 6 6.759 9.040 -5.194 44 HA SER 6 HA SER 6 4.816 11.120 -5.102 45 HB2 SER 6 1HB SER 6 4.553 8.246 -4.186 46 HB3 SER 6 2HB SER 6 3.238 9.348 -4.594 47 HG SER 6 HG SER 6 4.550 9.454 -6.718 48 H THR 7 H THR 7 5.389 12.565 -3.483 49 HA THR 7 HA THR 7 5.695 11.694 -0.745 50 HB THR 7 HB THR 7 5.751 14.100 -0.200 51 HG1 THR 7 HG1 THR 7 5.085 14.355 -2.964 52 HG21 THR 7 1HG2 THR 7 7.466 13.369 -2.572 53 HG22 THR 7 2HG2 THR 7 7.815 12.986 -0.887 54 HG23 THR 7 3HG2 THR 7 7.795 14.665 -1.423 55 H THR 8 H THR 8 4.264 13.378 0.793 56 HA THR 8 HA THR 8 1.699 12.268 0.856 57 HB THR 8 HB THR 8 2.459 14.917 2.088 58 HG1 THR 8 HG1 THR 8 4.023 13.372 2.679 59 HG21 THR 8 1HG2 THR 8 0.108 14.403 2.268 60 HG22 THR 8 2HG2 THR 8 0.865 14.170 3.843 61 HG23 THR 8 3HG2 THR 8 0.473 12.775 2.837 62 H GLU 9 H GLU 9 2.866 15.322 -0.474 63 HA GLU 9 HA GLU 9 0.475 16.484 -1.260 64 HB2 GLU 9 1HB GLU 9 2.538 17.706 -1.426 65 HB3 GLU 9 2HB GLU 9 3.195 16.552 -2.575 66 HG2 GLU 9 1HG GLU 9 1.390 17.218 -4.154 67 HG3 GLU 9 2HG GLU 9 0.942 18.485 -3.014 68 H ASP 10 H ASP 10 2.592 14.346 -3.140 69 HA ASP 10 HA ASP 10 0.958 14.185 -5.418 70 HB2 ASP 10 1HB ASP 10 2.901 12.084 -4.432 71 HB3 ASP 10 2HB ASP 10 2.318 12.301 -6.080 72 H LEU 11 H LEU 11 1.154 12.271 -2.485 73 HA LEU 11 HA LEU 11 -0.479 10.150 -3.248 74 HB2 LEU 11 1HB LEU 11 0.918 10.012 -1.303 75 HB3 LEU 11 2HB LEU 11 0.026 11.319 -0.515 76 HG LEU 11 HG LEU 11 -1.974 9.841 -0.496 77 HD11 LEU 11 1HD1 LEU 11 -0.030 7.729 -1.398 78 HD12 LEU 11 2HD1 LEU 11 -1.317 8.422 -2.384 79 HD13 LEU 11 3HD1 LEU 11 -1.718 7.483 -0.946 80 HD21 LEU 11 1HD2 LEU 11 -1.242 8.492 1.356 81 HD22 LEU 11 2HD2 LEU 11 -0.425 10.054 1.433 82 HD23 LEU 11 3HD2 LEU 11 0.439 8.633 0.846 83 H GLN 12 H GLN 12 -1.283 13.339 -2.015 84 HA GLN 12 HA GLN 12 -3.981 12.766 -1.374 85 HB2 GLN 12 1HB GLN 12 -2.625 15.375 -2.029 86 HB3 GLN 12 2HB GLN 12 -4.292 15.245 -1.482 87 HG2 GLN 12 1HG GLN 12 -1.807 14.501 0.040 88 HG3 GLN 12 2HG GLN 12 -2.932 15.808 0.396 89 HE21 GLN 12 1HE2 GLN 12 -2.359 12.392 0.559 90 HE22 GLN 12 2HE2 GLN 12 -3.692 12.005 1.590 91 H ARG 13 H ARG 13 -2.361 13.808 -4.279 92 HA ARG 13 HA ARG 13 -4.618 14.406 -5.847 93 HB2 ARG 13 1HB ARG 13 -2.422 15.087 -6.557 94 HB3 ARG 13 2HB ARG 13 -1.865 13.421 -6.598 95 HG2 ARG 13 1HG ARG 13 -3.422 12.950 -8.427 96 HG3 ARG 13 2HG ARG 13 -3.942 14.644 -8.396 97 HD2 ARG 13 1HD ARG 13 -1.742 15.379 -9.011 98 HD3 ARG 13 2HD ARG 13 -1.110 13.740 -8.870 99 HE ARG 13 HE ARG 13 -3.245 14.173 -10.802 100 HH11 ARG 13 1HH1 ARG 13 0.188 13.826 -10.217 101 HH12 ARG 13 2HH1 ARG 13 0.547 13.358 -11.847 102 HH21 ARG 13 1HH2 ARG 13 -2.773 13.572 -12.958 103 HH22 ARG 13 2HH2 ARG 13 -1.136 13.208 -13.403 104 H TYR 14 H TYR 14 -2.656 11.434 -5.684 105 HA TYR 14 HA TYR 14 -4.229 9.963 -7.501 106 HB2 TYR 14 1HB TYR 14 -2.533 8.813 -5.283 107 HB3 TYR 14 2HB TYR 14 -2.989 8.038 -6.792 108 HD1 TYR 14 HD1 TYR 14 -2.420 9.956 -8.841 109 HD2 TYR 14 HD2 TYR 14 -0.240 9.146 -5.279 110 HE1 TYR 14 HE1 TYR 14 -0.373 10.805 -9.906 111 HE2 TYR 14 HE2 TYR 14 1.812 9.995 -6.336 112 HH TYR 14 HH TYR 14 2.707 10.298 -8.654 113 H ARG 15 H ARG 15 -4.368 10.319 -4.016 114 HA ARG 15 HA ARG 15 -6.171 8.215 -3.550 115 HB2 ARG 15 1HB ARG 15 -5.349 8.677 -1.540 116 HB3 ARG 15 2HB ARG 15 -4.852 10.284 -2.030 117 HG2 ARG 15 1HG ARG 15 -7.019 11.175 -1.437 118 HG3 ARG 15 2HG ARG 15 -7.633 9.546 -1.119 119 HD2 ARG 15 1HD ARG 15 -5.955 9.275 0.657 120 HD3 ARG 15 2HD ARG 15 -5.382 10.913 0.364 121 HE ARG 15 HE ARG 15 -7.812 11.518 0.970 122 HH11 ARG 15 1HH1 ARG 15 -6.005 8.833 2.319 123 HH12 ARG 15 2HH1 ARG 15 -6.753 8.952 3.878 124 HH21 ARG 15 1HH2 ARG 15 -8.806 11.669 3.025 125 HH22 ARG 15 2HH2 ARG 15 -8.374 10.546 4.271 126 H THR 16 H THR 16 -6.619 11.648 -4.196 127 HA THR 16 HA THR 16 -9.428 11.705 -3.935 128 HB THR 16 HB THR 16 -7.615 13.369 -5.692 129 HG1 THR 16 HG1 THR 16 -6.985 13.825 -3.667 130 HG21 THR 16 1HG2 THR 16 -10.418 13.931 -4.728 131 HG22 THR 16 2HG2 THR 16 -9.967 13.491 -6.376 132 HG23 THR 16 3HG2 THR 16 -9.410 15.017 -5.686 133 H GLU 17 H GLU 17 -7.317 11.292 -6.750 134 HA GLU 17 HA GLU 17 -9.136 10.947 -8.757 135 HB2 GLU 17 1HB GLU 17 -7.085 10.896 -9.670 136 HB3 GLU 17 2HB GLU 17 -6.360 10.191 -8.248 137 HG2 GLU 17 1HG GLU 17 -5.969 8.624 -9.902 138 HG3 GLU 17 2HG GLU 17 -7.390 7.990 -9.072 139 H CYS 18 H CYS 18 -7.845 8.424 -6.618 140 HA CYS 18 HA CYS 18 -9.394 6.328 -7.710 141 HB2 CYS 18 1HB CYS 18 -7.971 6.555 -5.058 142 HB3 CYS 18 2HB CYS 18 -8.718 5.073 -5.673 143 H VAL 19 H VAL 19 -9.947 8.560 -5.032 144 HA VAL 19 HA VAL 19 -12.186 7.225 -3.972 145 HB VAL 19 HB VAL 19 -11.180 10.040 -3.748 146 HG11 VAL 19 1HG1 VAL 19 -13.628 10.199 -3.856 147 HG12 VAL 19 2HG1 VAL 19 -13.007 10.598 -2.253 148 HG13 VAL 19 3HG1 VAL 19 -13.753 9.027 -2.543 149 HG21 VAL 19 1HG2 VAL 19 -11.620 7.776 -1.809 150 HG22 VAL 19 2HG2 VAL 19 -11.089 9.394 -1.348 151 HG23 VAL 19 3HG2 VAL 19 -10.076 8.401 -2.396 152 H SER 20 H SER 20 -11.887 9.928 -6.221 153 HA SER 20 HA SER 20 -14.615 10.274 -6.746 154 HB2 SER 20 1HB SER 20 -12.782 11.878 -7.308 155 HB3 SER 20 2HB SER 20 -12.299 10.805 -8.619 156 HG SER 20 HG SER 20 -14.570 12.426 -8.375 157 H SER 21 H SER 21 -12.270 8.016 -8.122 158 HA SER 21 HA SER 21 -13.969 7.350 -10.359 159 HB2 SER 21 1HB SER 21 -11.508 7.333 -10.560 160 HB3 SER 21 2HB SER 21 -11.431 6.021 -9.386 161 HG SER 21 HG SER 21 -12.949 5.816 -11.767 162 H LEU 22 H LEU 22 -12.906 5.700 -7.371 163 HA LEU 22 HA LEU 22 -14.473 3.368 -8.030 164 HB2 LEU 22 1HB LEU 22 -12.806 4.103 -5.629 165 HB3 LEU 22 2HB LEU 22 -13.671 2.571 -5.775 166 HG LEU 22 HG LEU 22 -11.584 3.497 -7.741 167 HD11 LEU 22 1HD1 LEU 22 -10.571 3.216 -5.546 168 HD12 LEU 22 2HD1 LEU 22 -10.093 1.901 -6.621 169 HD13 LEU 22 3HD1 LEU 22 -11.327 1.631 -5.388 170 HD21 LEU 22 1HD2 LEU 22 -12.787 0.787 -7.223 171 HD22 LEU 22 2HD2 LEU 22 -11.610 1.205 -8.470 172 HD23 LEU 22 3HD2 LEU 22 -13.244 1.865 -8.546 173 H ASN 23 H ASN 23 -15.508 6.215 -7.138 174 HA ASN 23 HA ASN 23 -17.281 7.096 -6.011 175 HB2 ASN 23 1HB ASN 23 -18.265 4.254 -6.248 176 HB3 ASN 23 2HB ASN 23 -19.251 5.605 -5.724 177 HD21 ASN 23 1HD2 ASN 23 -19.850 7.180 -7.198 178 HD22 ASN 23 2HD2 ASN 23 -19.738 6.918 -8.909 179 H ILE 24 H ILE 24 -15.066 6.210 -4.411 180 HA ILE 24 HA ILE 24 -15.881 4.885 -2.072 181 HB ILE 24 HB ILE 24 -13.715 6.976 -2.268 182 HG12 ILE 24 1HG1 ILE 24 -13.449 5.266 -4.044 183 HG13 ILE 24 2HG1 ILE 24 -12.165 5.183 -2.841 184 HG21 ILE 24 1HG2 ILE 24 -12.687 5.694 -0.437 185 HG22 ILE 24 2HG2 ILE 24 -14.095 4.629 -0.411 186 HG23 ILE 24 3HG2 ILE 24 -14.271 6.335 0.001 187 HD11 ILE 24 1HD1 ILE 24 -13.259 3.264 -1.808 188 HD12 ILE 24 2HD1 ILE 24 -12.921 2.973 -3.516 189 HD13 ILE 24 3HD1 ILE 24 -14.560 3.366 -2.996 190 HA PRO 25 HA PRO 25 -18.487 8.137 -0.400 191 HB2 PRO 25 1HB PRO 25 -18.373 6.491 2.024 192 HB3 PRO 25 2HB PRO 25 -19.768 6.986 1.065 193 HG2 PRO 25 1HG PRO 25 -18.859 4.454 1.094 194 HG3 PRO 25 2HG PRO 25 -19.624 5.187 -0.327 195 HD2 PRO 25 1HD PRO 25 -16.731 4.664 0.213 196 HD3 PRO 25 2HD PRO 25 -17.636 4.576 -1.318 197 H ALA 26 H ALA 26 -18.122 9.855 0.833 198 HA ALA 26 HA ALA 26 -15.541 10.623 1.522 199 HB1 ALA 26 1HB ALA 26 -16.577 12.526 2.613 200 HB2 ALA 26 2HB ALA 26 -18.130 11.688 2.635 201 HB3 ALA 26 3HB ALA 26 -17.407 12.163 1.098 202 H ASP 27 H ASP 27 -18.007 9.034 3.417 203 HA ASP 27 HA ASP 27 -17.061 9.355 5.992 204 HB2 ASP 27 1HB ASP 27 -19.172 8.239 5.410 205 HB3 ASP 27 2HB ASP 27 -18.269 6.845 4.828 206 H TYR 28 H TYR 28 -16.203 6.750 3.700 207 HA TYR 28 HA TYR 28 -14.264 5.529 5.286 208 HB2 TYR 28 1HB TYR 28 -14.793 5.601 2.342 209 HB3 TYR 28 2HB TYR 28 -13.338 4.809 2.946 210 HD1 TYR 28 HD1 TYR 28 -13.470 2.683 4.059 211 HD2 TYR 28 HD2 TYR 28 -17.018 4.760 2.972 212 HE1 TYR 28 HE1 TYR 28 -14.789 0.661 4.520 213 HE2 TYR 28 HE2 TYR 28 -18.346 2.743 3.420 214 HH TYR 28 HH TYR 28 -17.098 0.058 5.085 215 H VAL 29 H VAL 29 -14.057 8.228 3.043 216 HA VAL 29 HA VAL 29 -11.288 8.461 2.827 217 HB VAL 29 HB VAL 29 -13.347 10.658 2.780 218 HG11 VAL 29 1HG1 VAL 29 -10.514 10.559 1.775 219 HG12 VAL 29 2HG1 VAL 29 -11.152 11.601 3.048 220 HG13 VAL 29 3HG1 VAL 29 -11.669 11.833 1.378 221 HG21 VAL 29 1HG2 VAL 29 -12.195 8.957 0.583 222 HG22 VAL 29 2HG2 VAL 29 -13.247 10.353 0.339 223 HG23 VAL 29 3HG2 VAL 29 -13.854 8.925 1.179 224 H GLU 30 H GLU 30 -13.527 9.845 5.215 225 HA GLU 30 HA GLU 30 -11.607 11.322 6.676 226 HB2 GLU 30 1HB GLU 30 -14.022 10.092 7.967 227 HB3 GLU 30 2HB GLU 30 -13.242 11.634 8.295 228 HG2 GLU 30 1HG GLU 30 -13.961 12.387 6.040 229 HG3 GLU 30 2HG GLU 30 -14.923 10.919 5.924 230 H LYS 31 H LYS 31 -12.607 7.960 6.817 231 HA LYS 31 HA LYS 31 -11.238 7.268 9.195 232 HB2 LYS 31 1HB LYS 31 -11.877 5.520 6.812 233 HB3 LYS 31 2HB LYS 31 -11.350 4.950 8.400 234 HG2 LYS 31 1HG LYS 31 -13.395 5.971 9.377 235 HG3 LYS 31 2HG LYS 31 -13.929 6.356 7.742 236 HD2 LYS 31 1HD LYS 31 -13.753 3.924 7.190 237 HD3 LYS 31 2HD LYS 31 -13.415 3.618 8.905 238 HE2 LYS 31 1HE LYS 31 -15.908 4.981 7.868 239 HE3 LYS 31 2HE LYS 31 -15.808 3.270 8.284 240 HZ1 LYS 31 1HZ LYS 31 -16.736 4.538 10.095 241 HZ2 LYS 31 2HZ LYS 31 -15.385 5.551 10.142 242 HZ3 LYS 31 3HZ LYS 31 -15.231 3.917 10.555 243 H PHE 32 H PHE 32 -10.322 6.955 5.779 244 HA PHE 32 HA PHE 32 -7.784 5.873 6.164 245 HB2 PHE 32 1HB PHE 32 -8.595 7.709 3.911 246 HB3 PHE 32 2HB PHE 32 -7.310 6.511 3.884 247 HD1 PHE 32 HD1 PHE 32 -9.814 6.907 2.051 248 HD2 PHE 32 HD2 PHE 32 -8.904 4.317 5.299 249 HE1 PHE 32 HE1 PHE 32 -11.403 5.250 1.170 250 HE2 PHE 32 HE2 PHE 32 -10.488 2.658 4.422 251 HZ PHE 32 HZ PHE 32 -11.738 3.119 2.354 252 H LYS 33 H LYS 33 -8.904 9.178 6.201 253 HA LYS 33 HA LYS 33 -6.417 10.497 6.075 254 HB2 LYS 33 1HB LYS 33 -8.875 11.406 5.928 255 HB3 LYS 33 2HB LYS 33 -8.711 11.570 7.673 256 HG2 LYS 33 1HG LYS 33 -6.771 12.996 7.392 257 HG3 LYS 33 2HG LYS 33 -6.876 12.813 5.634 258 HD2 LYS 33 1HD LYS 33 -9.104 13.858 5.681 259 HD3 LYS 33 2HD LYS 33 -8.961 14.067 7.426 260 HE2 LYS 33 1HE LYS 33 -8.411 16.137 6.307 261 HE3 LYS 33 2HE LYS 33 -6.969 15.470 7.070 262 HZ1 LYS 33 1HZ LYS 33 -6.513 16.281 4.840 263 HZ2 LYS 33 2HZ LYS 33 -7.661 15.226 4.196 264 HZ3 LYS 33 3HZ LYS 33 -6.272 14.612 4.932 265 H LYS 34 H LYS 34 -8.077 8.849 8.646 266 HA LYS 34 HA LYS 34 -6.197 9.885 10.633 267 HB2 LYS 34 1HB LYS 34 -8.701 8.215 10.929 268 HB3 LYS 34 2HB LYS 34 -7.666 8.672 12.276 269 HG2 LYS 34 1HG LYS 34 -8.132 11.029 11.825 270 HG3 LYS 34 2HG LYS 34 -9.163 10.563 10.469 271 HD2 LYS 34 1HD LYS 34 -10.599 9.307 12.032 272 HD3 LYS 34 2HD LYS 34 -9.592 9.858 13.371 273 HE2 LYS 34 1HE LYS 34 -11.578 11.233 13.207 274 HE3 LYS 34 2HE LYS 34 -10.150 12.187 12.807 275 HZ1 LYS 34 1HZ LYS 34 -12.019 12.575 11.288 276 HZ2 LYS 34 2HZ LYS 34 -11.969 10.954 10.814 277 HZ3 LYS 34 3HZ LYS 34 -10.660 11.970 10.483 278 H TRP 35 H TRP 35 -5.906 7.743 8.411 279 HA TRP 35 HA TRP 35 -4.794 5.822 8.030 280 HB2 TRP 35 1HB TRP 35 -3.691 6.426 10.773 281 HB3 TRP 35 2HB TRP 35 -3.096 5.110 9.749 282 HD1 TRP 35 HD1 TRP 35 -2.955 8.878 10.179 283 HE1 TRP 35 HE1 TRP 35 -1.209 9.853 8.558 284 HE3 TRP 35 HE3 TRP 35 -2.015 4.698 7.384 285 HZ2 TRP 35 HZ2 TRP 35 0.355 8.969 6.389 286 HZ3 TRP 35 HZ3 TRP 35 -0.383 4.847 5.558 287 HH2 TRP 35 HH2 TRP 35 0.784 6.933 5.065 288 H GLU 36 H GLU 36 -7.372 5.485 8.736 289 HA GLU 36 HA GLU 36 -7.288 2.946 10.219 290 HB2 GLU 36 1HB GLU 36 -9.529 4.959 10.059 291 HB3 GLU 36 2HB GLU 36 -9.695 3.350 10.746 292 HG2 GLU 36 1HG GLU 36 -8.020 3.911 12.433 293 HG3 GLU 36 2HG GLU 36 -7.881 5.522 11.737 294 H PHE 37 H PHE 37 -7.367 1.363 8.810 295 HA PHE 37 HA PHE 37 -9.081 1.667 6.429 296 HB2 PHE 37 1HB PHE 37 -6.652 -0.125 6.725 297 HB3 PHE 37 2HB PHE 37 -7.570 0.155 5.252 298 HD1 PHE 37 HD1 PHE 37 -7.122 2.047 3.870 299 HD2 PHE 37 HD2 PHE 37 -5.296 1.710 7.703 300 HE1 PHE 37 HE1 PHE 37 -5.634 3.931 3.328 301 HE2 PHE 37 HE2 PHE 37 -3.801 3.583 7.159 302 HZ PHE 37 HZ PHE 37 -3.970 4.697 4.972 303 HA PRO 38 HA PRO 38 -11.241 -1.627 8.813 304 HB2 PRO 38 1HB PRO 38 -13.360 -0.877 6.896 305 HB3 PRO 38 2HB PRO 38 -13.424 -1.015 8.662 306 HG2 PRO 38 1HG PRO 38 -13.475 1.374 7.493 307 HG3 PRO 38 2HG PRO 38 -12.563 1.109 8.989 308 HD2 PRO 38 1HD PRO 38 -11.539 1.241 6.164 309 HD3 PRO 38 2HD PRO 38 -10.876 1.993 7.649 310 H GLU 39 H GLU 39 -11.826 -3.685 8.233 311 HA GLU 39 HA GLU 39 -10.820 -4.630 5.725 312 HB2 GLU 39 1HB GLU 39 -10.550 -5.929 7.798 313 HB3 GLU 39 2HB GLU 39 -12.293 -6.134 7.891 314 HG2 GLU 39 1HG GLU 39 -12.305 -7.436 5.879 315 HG3 GLU 39 2HG GLU 39 -10.594 -7.110 5.607 316 H ASP 40 H ASP 40 -12.087 -3.663 4.206 317 HA ASP 40 HA ASP 40 -14.652 -4.924 3.683 318 HB2 ASP 40 1HB ASP 40 -15.300 -2.953 5.032 319 HB3 ASP 40 2HB ASP 40 -14.407 -1.904 3.933 320 H ASP 41 H ASP 41 -15.233 -4.802 1.499 321 HA ASP 41 HA ASP 41 -13.018 -4.962 -0.224 322 HB2 ASP 41 1HB ASP 41 -14.612 -5.350 -2.023 323 HB3 ASP 41 2HB ASP 41 -15.075 -6.266 -0.594 324 H THR 42 H THR 42 -15.148 -2.320 0.533 325 HA THR 42 HA THR 42 -14.643 -0.650 -1.678 326 HB THR 42 HB THR 42 -15.069 0.258 1.167 327 HG1 THR 42 HG1 THR 42 -16.724 -1.137 0.836 328 HG21 THR 42 1HG2 THR 42 -14.549 2.053 -0.349 329 HG22 THR 42 2HG2 THR 42 -16.268 2.118 0.043 330 HG23 THR 42 3HG2 THR 42 -15.739 1.468 -1.510 331 H THR 43 H THR 43 -13.164 -0.633 1.557 332 HA THR 43 HA THR 43 -11.100 1.165 1.114 333 HB THR 43 HB THR 43 -11.010 -1.274 2.897 334 HG1 THR 43 HG1 THR 43 -11.757 0.468 4.457 335 HG21 THR 43 1HG2 THR 43 -9.581 0.227 4.316 336 HG22 THR 43 2HG2 THR 43 -9.551 1.364 2.965 337 HG23 THR 43 3HG2 THR 43 -8.853 -0.243 2.778 338 H MET 44 H MET 44 -11.307 -2.260 0.398 339 HA MET 44 HA MET 44 -8.545 -2.711 0.041 340 HB2 MET 44 1HB MET 44 -10.917 -4.242 -1.010 341 HB3 MET 44 2HB MET 44 -9.259 -4.828 -1.028 342 HG2 MET 44 1HG MET 44 -9.199 -4.774 1.396 343 HG3 MET 44 2HG MET 44 -10.831 -4.113 1.435 344 HE1 MET 44 1HE MET 44 -11.365 -7.691 2.830 345 HE2 MET 44 2HE MET 44 -11.600 -5.963 3.091 346 HE3 MET 44 3HE MET 44 -9.971 -6.645 3.101 347 H CYS 45 H CYS 45 -11.163 -2.222 -2.326 348 HA CYS 45 HA CYS 45 -9.463 -2.301 -4.582 349 HB2 CYS 45 1HB CYS 45 -12.185 -1.020 -4.254 350 HB3 CYS 45 2HB CYS 45 -11.369 -1.262 -5.793 351 H TYR 46 H TYR 46 -10.413 0.247 -2.387 352 HA TYR 46 HA TYR 46 -9.504 2.454 -3.822 353 HB2 TYR 46 1HB TYR 46 -10.756 2.912 -1.896 354 HB3 TYR 46 2HB TYR 46 -9.768 1.859 -0.884 355 HD1 TYR 46 HD1 TYR 46 -9.467 4.977 -2.942 356 HD2 TYR 46 HD2 TYR 46 -8.238 2.850 0.537 357 HE1 TYR 46 HE1 TYR 46 -8.174 6.933 -2.201 358 HE2 TYR 46 HE2 TYR 46 -6.945 4.802 1.280 359 HH TYR 46 HH TYR 46 -5.976 6.813 0.466 360 H ILE 47 H ILE 47 -7.805 0.384 -1.494 361 HA ILE 47 HA ILE 47 -5.303 1.614 -1.670 362 HB ILE 47 HB ILE 47 -6.023 -1.231 -0.998 363 HG12 ILE 47 1HG1 ILE 47 -6.929 0.400 0.568 364 HG13 ILE 47 2HG1 ILE 47 -5.614 -0.483 1.339 365 HG21 ILE 47 1HG2 ILE 47 -3.735 -1.221 -1.743 366 HG22 ILE 47 2HG2 ILE 47 -3.767 -1.388 0.014 367 HG23 ILE 47 3HG2 ILE 47 -3.368 0.166 -0.717 368 HD11 ILE 47 1HD1 ILE 47 -5.412 1.801 1.948 369 HD12 ILE 47 2HD1 ILE 47 -5.570 2.333 0.276 370 HD13 ILE 47 3HD1 ILE 47 -4.123 1.464 0.792 371 H LYS 48 H LYS 48 -6.789 -0.933 -3.600 372 HA LYS 48 HA LYS 48 -4.560 -1.751 -5.061 373 HB2 LYS 48 1HB LYS 48 -6.907 -2.772 -5.004 374 HB3 LYS 48 2HB LYS 48 -7.357 -1.564 -6.193 375 HG2 LYS 48 1HG LYS 48 -5.183 -3.620 -6.558 376 HG3 LYS 48 2HG LYS 48 -6.831 -3.788 -7.154 377 HD2 LYS 48 1HD LYS 48 -4.928 -1.583 -7.955 378 HD3 LYS 48 2HD LYS 48 -5.197 -3.056 -8.883 379 HE2 LYS 48 1HE LYS 48 -7.394 -1.124 -8.165 380 HE3 LYS 48 2HE LYS 48 -6.466 -1.020 -9.656 381 HZ1 LYS 48 1HZ LYS 48 -8.580 -2.204 -9.924 382 HZ2 LYS 48 2HZ LYS 48 -8.065 -3.380 -8.829 383 HZ3 LYS 48 3HZ LYS 48 -7.253 -3.179 -10.299 384 H CYS 49 H CYS 49 -7.071 0.611 -5.951 385 HA CYS 49 HA CYS 49 -5.936 1.499 -8.315 386 HB2 CYS 49 1HB CYS 49 -8.171 2.086 -7.860 387 HB3 CYS 49 2HB CYS 49 -7.751 2.896 -6.351 388 H VAL 50 H VAL 50 -5.495 2.819 -5.026 389 HA VAL 50 HA VAL 50 -3.988 5.046 -5.766 390 HB VAL 50 HB VAL 50 -4.048 3.519 -3.170 391 HG11 VAL 50 1HG1 VAL 50 -1.982 4.762 -3.261 392 HG12 VAL 50 2HG1 VAL 50 -3.107 5.574 -2.168 393 HG13 VAL 50 3HG1 VAL 50 -2.840 6.209 -3.791 394 HG21 VAL 50 1HG2 VAL 50 -5.445 5.983 -4.148 395 HG22 VAL 50 2HG2 VAL 50 -5.430 5.465 -2.462 396 HG23 VAL 50 3HG2 VAL 50 -6.172 4.442 -3.695 397 H PHE 51 H PHE 51 -2.974 1.847 -4.651 398 HA PHE 51 HA PHE 51 -0.220 2.355 -4.683 399 HB2 PHE 51 1HB PHE 51 -1.954 -0.059 -4.547 400 HB3 PHE 51 2HB PHE 51 -0.256 -0.302 -4.947 401 HD1 PHE 51 HD1 PHE 51 -1.388 2.399 -2.730 402 HD2 PHE 51 HD2 PHE 51 0.206 -1.542 -2.948 403 HE1 PHE 51 HE1 PHE 51 -0.852 2.485 -0.331 404 HE2 PHE 51 HE2 PHE 51 0.741 -1.460 -0.551 405 HZ PHE 51 HZ PHE 51 0.215 0.555 0.761 406 H ASN 52 H ASN 52 -2.482 1.480 -7.142 407 HA ASN 52 HA ASN 52 -0.541 0.578 -9.061 408 HB2 ASN 52 1HB ASN 52 -2.872 -0.227 -9.087 409 HB3 ASN 52 2HB ASN 52 -3.435 1.411 -9.426 410 HD21 ASN 52 1HD2 ASN 52 -0.567 -0.073 -10.839 411 HD22 ASN 52 2HD2 ASN 52 -1.179 -0.117 -12.455 412 H LYS 53 H LYS 53 -2.358 3.543 -8.464 413 HA LYS 53 HA LYS 53 -1.478 4.917 -10.781 414 HB2 LYS 53 1HB LYS 53 -2.647 5.873 -8.174 415 HB3 LYS 53 2HB LYS 53 -2.345 6.943 -9.535 416 HG2 LYS 53 1HG LYS 53 -4.145 4.524 -9.607 417 HG3 LYS 53 2HG LYS 53 -4.705 6.169 -9.319 418 HD2 LYS 53 1HD LYS 53 -4.144 6.847 -11.508 419 HD3 LYS 53 2HD LYS 53 -3.159 5.407 -11.787 420 HE2 LYS 53 1HE LYS 53 -5.340 5.313 -12.946 421 HE3 LYS 53 2HE LYS 53 -5.130 4.010 -11.779 422 HZ1 LYS 53 1HZ LYS 53 -6.763 6.470 -11.437 423 HZ2 LYS 53 2HZ LYS 53 -6.451 5.354 -10.197 424 HZ3 LYS 53 3HZ LYS 53 -7.318 4.872 -11.563 425 H MET 54 H MET 54 -0.225 4.505 -7.569 426 HA MET 54 HA MET 54 1.762 6.583 -7.792 427 HB2 MET 54 1HB MET 54 1.143 4.478 -5.736 428 HB3 MET 54 2HB MET 54 2.581 5.490 -5.620 429 HG2 MET 54 1HG MET 54 1.302 7.437 -5.397 430 HG3 MET 54 2HG MET 54 -0.178 6.622 -5.895 431 HE1 MET 54 1HE MET 54 1.805 6.467 -1.762 432 HE2 MET 54 2HE MET 54 2.249 7.516 -3.108 433 HE3 MET 54 3HE MET 54 2.668 5.804 -3.151 434 H GLN 55 H GLN 55 1.526 3.812 -9.358 435 HA GLN 55 HA GLN 55 2.887 2.327 -10.333 436 HB2 GLN 55 1HB GLN 55 4.647 4.695 -9.947 437 HB3 GLN 55 2HB GLN 55 5.348 3.207 -10.599 438 HG2 GLN 55 1HG GLN 55 3.743 3.250 -12.417 439 HG3 GLN 55 2HG GLN 55 2.977 4.674 -11.725 440 HE21 GLN 55 1HE2 GLN 55 5.721 3.454 -13.457 441 HE22 GLN 55 2HE2 GLN 55 6.357 4.990 -13.939 442 H LEU 56 H LEU 56 2.405 1.768 -7.714 443 HA LEU 56 HA LEU 56 4.979 0.845 -6.677 444 HB2 LEU 56 1HB LEU 56 2.725 2.233 -5.416 445 HB3 LEU 56 2HB LEU 56 3.292 0.836 -4.492 446 HG LEU 56 HG LEU 56 4.954 3.193 -5.386 447 HD11 LEU 56 1HD1 LEU 56 3.939 2.422 -2.654 448 HD12 LEU 56 2HD1 LEU 56 3.372 3.780 -3.623 449 HD13 LEU 56 3HD1 LEU 56 5.025 3.763 -3.010 450 HD21 LEU 56 1HD2 LEU 56 6.342 1.248 -5.288 451 HD22 LEU 56 2HD2 LEU 56 5.633 0.763 -3.749 452 HD23 LEU 56 3HD2 LEU 56 6.639 2.208 -3.841 453 H PHE 57 H PHE 57 1.922 -0.013 -7.816 454 HA PHE 57 HA PHE 57 2.414 -2.822 -7.256 455 HB2 PHE 57 1HB PHE 57 0.955 -2.195 -5.409 456 HB3 PHE 57 2HB PHE 57 -0.156 -1.397 -6.511 457 HD1 PHE 57 HD1 PHE 57 1.096 -4.645 -5.341 458 HD2 PHE 57 HD2 PHE 57 -1.789 -2.627 -7.734 459 HE1 PHE 57 HE1 PHE 57 -0.201 -6.726 -5.529 460 HE2 PHE 57 HE2 PHE 57 -3.089 -4.706 -7.927 461 HZ PHE 57 HZ PHE 57 -2.293 -6.757 -6.821 462 H ASP 58 H ASP 58 1.802 -4.102 -8.890 463 HA ASP 58 HA ASP 58 0.263 -2.905 -11.098 464 HB2 ASP 58 1HB ASP 58 2.636 -3.038 -11.717 465 HB3 ASP 58 2HB ASP 58 2.672 -4.740 -11.277 466 H ASP 59 H ASP 59 -1.142 -4.348 -12.209 467 HA ASP 59 HA ASP 59 -2.242 -6.333 -10.459 468 HB2 ASP 59 1HB ASP 59 -3.977 -6.602 -12.156 469 HB3 ASP 59 2HB ASP 59 -3.698 -4.908 -11.816 470 H THR 60 H THR 60 0.146 -6.410 -12.834 471 HA THR 60 HA THR 60 -0.227 -9.270 -13.300 472 HB THR 60 HB THR 60 1.588 -7.236 -14.584 473 HG1 THR 60 HG1 THR 60 -0.338 -7.076 -15.549 474 HG21 THR 60 1HG2 THR 60 2.325 -9.031 -16.085 475 HG22 THR 60 2HG2 THR 60 1.432 -10.201 -15.115 476 HG23 THR 60 3HG2 THR 60 2.801 -9.333 -14.415 477 H GLU 61 H GLU 61 2.574 -7.144 -12.628 478 HA GLU 61 HA GLU 61 4.137 -9.296 -11.598 479 HB2 GLU 61 1HB GLU 61 4.757 -6.402 -11.140 480 HB3 GLU 61 2HB GLU 61 5.857 -7.749 -11.366 481 HG2 GLU 61 1HG GLU 61 5.227 -7.899 -13.701 482 HG3 GLU 61 2HG GLU 61 4.093 -6.570 -13.486 483 H GLY 62 H GLY 62 1.778 -7.292 -10.181 484 HA2 GLY 62 1HA GLY 62 1.020 -7.218 -7.994 485 HA3 GLY 62 2HA GLY 62 2.327 -8.317 -7.546 486 HA PRO 63 HA PRO 63 3.405 -4.342 -5.554 487 HB2 PRO 63 1HB PRO 63 5.045 -5.532 -3.678 488 HB3 PRO 63 2HB PRO 63 3.308 -5.257 -3.474 489 HG2 PRO 63 1HG PRO 63 4.773 -7.731 -4.224 490 HG3 PRO 63 2HG PRO 63 3.330 -7.544 -3.222 491 HD2 PRO 63 1HD PRO 63 3.286 -8.415 -5.789 492 HD3 PRO 63 2HD PRO 63 1.928 -7.543 -5.045 493 H LEU 64 H LEU 64 4.872 -3.146 -6.512 494 HA LEU 64 HA LEU 64 7.112 -4.336 -7.898 495 HB2 LEU 64 1HB LEU 64 6.450 -1.402 -7.618 496 HB3 LEU 64 2HB LEU 64 7.491 -2.147 -8.814 497 HG LEU 64 HG LEU 64 4.519 -2.625 -8.627 498 HD11 LEU 64 1HD1 LEU 64 6.088 -0.936 -10.568 499 HD12 LEU 64 2HD1 LEU 64 5.011 -0.331 -9.308 500 HD13 LEU 64 3HD1 LEU 64 4.360 -1.275 -10.647 501 HD21 LEU 64 1HD2 LEU 64 5.817 -4.490 -9.548 502 HD22 LEU 64 2HD2 LEU 64 6.513 -3.396 -10.745 503 HD23 LEU 64 3HD2 LEU 64 4.778 -3.728 -10.757 504 H VAL 65 H VAL 65 8.525 -5.069 -6.468 505 HA VAL 65 HA VAL 65 9.146 -4.114 -3.977 506 HB VAL 65 HB VAL 65 10.871 -5.677 -5.879 507 HG11 VAL 65 1HG1 VAL 65 12.166 -6.363 -3.917 508 HG12 VAL 65 2HG1 VAL 65 11.238 -5.249 -2.914 509 HG13 VAL 65 3HG1 VAL 65 12.283 -4.625 -4.193 510 HG21 VAL 65 1HG2 VAL 65 9.056 -6.468 -3.616 511 HG22 VAL 65 2HG2 VAL 65 10.136 -7.573 -4.466 512 HG23 VAL 65 3HG2 VAL 65 8.818 -6.790 -5.333 513 H ASP 66 H ASP 66 10.781 -3.293 -7.038 514 HA ASP 66 HA ASP 66 12.961 -1.952 -5.916 515 HB2 ASP 66 1HB ASP 66 12.909 -2.602 -8.252 516 HB3 ASP 66 2HB ASP 66 11.610 -1.458 -8.570 517 H ASN 67 H ASN 67 9.905 -0.572 -7.141 518 HA ASN 67 HA ASN 67 10.517 2.066 -6.306 519 HB2 ASN 67 1HB ASN 67 7.929 0.737 -7.077 520 HB3 ASN 67 2HB ASN 67 8.023 2.432 -6.608 521 HD21 ASN 67 1HD2 ASN 67 7.172 1.449 -9.138 522 HD22 ASN 67 2HD2 ASN 67 8.297 2.030 -10.323 523 H LEU 68 H LEU 68 8.933 -0.656 -4.813 524 HA LEU 68 HA LEU 68 7.776 0.631 -2.618 525 HB2 LEU 68 1HB LEU 68 8.699 -2.158 -3.156 526 HB3 LEU 68 2HB LEU 68 8.213 -1.709 -1.530 527 HG LEU 68 HG LEU 68 6.425 -1.264 -3.907 528 HD11 LEU 68 1HD1 LEU 68 5.319 -3.348 -3.388 529 HD12 LEU 68 2HD1 LEU 68 6.447 -3.651 -2.066 530 HD13 LEU 68 3HD1 LEU 68 7.021 -3.659 -3.732 531 HD21 LEU 68 1HD2 LEU 68 5.918 -0.005 -1.877 532 HD22 LEU 68 2HD2 LEU 68 5.890 -1.507 -0.952 533 HD23 LEU 68 3HD2 LEU 68 4.683 -1.219 -2.205 534 H VAL 69 H VAL 69 10.975 -0.825 -3.000 535 HA VAL 69 HA VAL 69 11.909 -0.156 -0.403 536 HB VAL 69 HB VAL 69 13.445 -0.751 -2.926 537 HG11 VAL 69 1HG1 VAL 69 14.855 0.397 -1.357 538 HG12 VAL 69 2HG1 VAL 69 15.280 -1.315 -1.358 539 HG13 VAL 69 3HG1 VAL 69 14.305 -0.645 -0.046 540 HG21 VAL 69 1HG2 VAL 69 11.928 -2.545 -2.197 541 HG22 VAL 69 2HG2 VAL 69 12.716 -2.540 -0.618 542 HG23 VAL 69 3HG2 VAL 69 13.626 -3.000 -2.059 543 H HIS 70 H HIS 70 12.136 1.419 -3.568 544 HA HIS 70 HA HIS 70 13.908 3.464 -2.796 545 HB2 HIS 70 1HB HIS 70 13.375 2.841 -5.150 546 HB3 HIS 70 2HB HIS 70 11.789 3.579 -4.949 547 HD1 HIS 70 HD1 HIS 70 11.680 5.893 -5.817 548 HD2 HIS 70 HD2 HIS 70 15.509 4.903 -4.529 549 HE1 HIS 70 HE1 HIS 70 13.103 7.914 -6.292 550 HE2 HIS 70 HE2 HIS 70 15.435 7.241 -5.631 551 H GLN 71 H GLN 71 10.489 3.063 -2.383 552 HA GLN 71 HA GLN 71 10.096 5.847 -1.608 553 HB2 GLN 71 1HB GLN 71 8.423 4.263 -2.900 554 HB3 GLN 71 2HB GLN 71 8.008 3.732 -1.273 555 HG2 GLN 71 1HG GLN 71 6.483 5.455 -1.973 556 HG3 GLN 71 2HG GLN 71 7.490 6.042 -0.650 557 HE21 GLN 71 1HE2 GLN 71 7.221 8.195 -1.162 558 HE22 GLN 71 2HE2 GLN 71 7.922 8.914 -2.563 559 H LEU 72 H LEU 72 9.508 2.666 -0.125 560 HA LEU 72 HA LEU 72 8.868 3.690 2.392 561 HB2 LEU 72 1HB LEU 72 9.760 0.943 1.558 562 HB3 LEU 72 2HB LEU 72 9.269 1.334 3.194 563 HG LEU 72 HG LEU 72 7.517 1.649 0.759 564 HD11 LEU 72 1HD1 LEU 72 6.319 -0.310 1.626 565 HD12 LEU 72 2HD1 LEU 72 7.532 -0.482 2.897 566 HD13 LEU 72 3HD1 LEU 72 7.988 -0.702 1.208 567 HD21 LEU 72 1HD2 LEU 72 5.725 1.811 2.507 568 HD22 LEU 72 2HD2 LEU 72 6.822 3.187 2.431 569 HD23 LEU 72 3HD2 LEU 72 7.007 1.982 3.707 570 H ALA 73 H ALA 73 11.956 2.371 1.198 571 HA ALA 73 HA ALA 73 13.272 2.621 3.713 572 HB1 ALA 73 1HB ALA 73 13.947 1.024 1.980 573 HB2 ALA 73 2HB ALA 73 15.280 2.048 2.520 574 HB3 ALA 73 3HB ALA 73 14.487 2.369 0.978 575 H HIS 74 H HIS 74 11.987 5.035 2.905 576 HA HIS 74 HA HIS 74 13.930 6.942 2.010 577 HB2 HIS 74 1HB HIS 74 11.426 7.135 1.694 578 HB3 HIS 74 2HB HIS 74 11.294 7.448 3.423 579 HD1 HIS 74 HD1 HIS 74 11.340 9.822 4.069 580 HD2 HIS 74 HD2 HIS 74 13.044 9.205 0.331 581 HE1 HIS 74 HE1 HIS 74 11.853 12.110 3.175 582 HE2 HIS 74 HE2 HIS 74 12.663 11.714 0.820 583 H GLY 75 H GLY 75 15.643 6.532 3.482 584 HA2 GLY 75 1HA GLY 75 16.809 7.627 5.261 585 HA3 GLY 75 2HA GLY 75 15.273 7.837 6.092 586 H ARG 76 H ARG 76 16.143 4.807 4.605 587 HA ARG 76 HA ARG 76 17.191 3.667 7.052 588 HB2 ARG 76 1HB ARG 76 14.423 3.209 6.164 589 HB3 ARG 76 2HB ARG 76 15.323 1.745 6.528 590 HG2 ARG 76 1HG ARG 76 15.898 2.790 8.744 591 HG3 ARG 76 2HG ARG 76 14.718 4.047 8.366 592 HD2 ARG 76 1HD ARG 76 13.741 2.287 9.755 593 HD3 ARG 76 2HD ARG 76 12.974 2.361 8.173 594 HE ARG 76 HE ARG 76 15.130 0.439 8.470 595 HH11 ARG 76 1HH1 ARG 76 11.675 0.993 8.529 596 HH12 ARG 76 2HH1 ARG 76 11.282 -0.668 8.227 597 HH21 ARG 76 1HH2 ARG 76 14.608 -1.751 8.109 598 HH22 ARG 76 2HH2 ARG 76 12.930 -2.227 7.975 599 H ASP 77 H ASP 77 17.661 1.257 6.679 600 HA ASP 77 HA ASP 77 19.249 1.054 4.350 601 HB2 ASP 77 1HB ASP 77 19.882 -0.085 6.401 602 HB3 ASP 77 2HB ASP 77 18.435 -1.086 6.320 603 H ALA 78 H ALA 78 18.655 0.638 2.421 604 HA ALA 78 HA ALA 78 16.045 0.023 1.625 605 HB1 ALA 78 1HB ALA 78 17.654 1.258 0.270 606 HB2 ALA 78 2HB ALA 78 16.966 -0.104 -0.611 607 HB3 ALA 78 3HB ALA 78 18.596 -0.215 0.052 608 H GLU 79 H GLU 79 18.826 -2.045 2.137 609 HA GLU 79 HA GLU 79 17.839 -4.292 0.710 610 HB2 GLU 79 1HB GLU 79 19.918 -4.063 2.881 611 HB3 GLU 79 2HB GLU 79 19.592 -5.540 1.985 612 HG2 GLU 79 1HG GLU 79 20.217 -4.439 -0.084 613 HG3 GLU 79 2HG GLU 79 20.507 -2.937 0.783 614 H GLU 80 H GLU 80 17.839 -3.391 4.128 615 HA GLU 80 HA GLU 80 16.491 -5.655 5.115 616 HB2 GLU 80 1HB GLU 80 17.691 -4.121 6.554 617 HB3 GLU 80 2HB GLU 80 16.603 -2.814 6.122 618 HG2 GLU 80 1HG GLU 80 14.773 -3.931 7.215 619 HG3 GLU 80 2HG GLU 80 15.799 -5.310 7.580 620 H VAL 81 H VAL 81 15.293 -2.457 4.131 621 HA VAL 81 HA VAL 81 12.584 -2.830 4.579 622 HB VAL 81 HB VAL 81 14.015 -1.167 2.522 623 HG11 VAL 81 1HG1 VAL 81 11.089 -1.131 3.266 624 HG12 VAL 81 2HG1 VAL 81 11.762 -1.562 1.693 625 HG13 VAL 81 3HG1 VAL 81 11.902 0.092 2.288 626 HG21 VAL 81 1HG2 VAL 81 13.427 0.637 4.085 627 HG22 VAL 81 2HG2 VAL 81 14.471 -0.588 4.800 628 HG23 VAL 81 3HG2 VAL 81 12.748 -0.567 5.179 629 H ARG 82 H ARG 82 14.455 -3.501 1.628 630 HA ARG 82 HA ARG 82 12.514 -4.474 -0.051 631 HB2 ARG 82 1HB ARG 82 14.905 -4.194 -0.618 632 HB3 ARG 82 2HB ARG 82 15.286 -5.602 0.359 633 HG2 ARG 82 1HG ARG 82 13.456 -6.686 -1.265 634 HG3 ARG 82 2HG ARG 82 14.104 -5.434 -2.331 635 HD2 ARG 82 1HD ARG 82 15.338 -7.513 -2.589 636 HD3 ARG 82 2HD ARG 82 16.362 -6.247 -1.904 637 HE ARG 82 HE ARG 82 15.298 -7.602 0.245 638 HH11 ARG 82 1HH1 ARG 82 17.353 -8.361 -2.472 639 HH12 ARG 82 2HH1 ARG 82 18.162 -9.662 -1.661 640 HH21 ARG 82 1HH2 ARG 82 16.346 -9.297 1.329 641 HH22 ARG 82 2HH2 ARG 82 17.587 -10.197 0.514 642 H THR 83 H THR 83 14.298 -6.220 2.457 643 HA THR 83 HA THR 83 13.223 -8.762 1.929 644 HB THR 83 HB THR 83 14.608 -7.525 4.280 645 HG1 THR 83 HG1 THR 83 16.249 -8.927 3.615 646 HG21 THR 83 1HG2 THR 83 13.599 -10.370 4.137 647 HG22 THR 83 2HG2 THR 83 13.038 -9.121 5.251 648 HG23 THR 83 3HG2 THR 83 14.691 -9.726 5.364 649 H GLU 84 H GLU 84 12.364 -6.320 4.378 650 HA GLU 84 HA GLU 84 10.258 -7.660 5.584 651 HB2 GLU 84 1HB GLU 84 10.420 -4.683 5.114 652 HB3 GLU 84 2HB GLU 84 9.484 -5.502 6.353 653 HG2 GLU 84 1HG GLU 84 11.752 -6.426 7.129 654 HG3 GLU 84 2HG GLU 84 12.435 -5.116 6.171 655 H VAL 85 H VAL 85 10.185 -5.531 2.728 656 HA VAL 85 HA VAL 85 7.444 -5.622 2.216 657 HB VAL 85 HB VAL 85 9.819 -5.338 0.381 658 HG11 VAL 85 1HG1 VAL 85 8.258 -4.677 -1.398 659 HG12 VAL 85 2HG1 VAL 85 6.902 -5.135 -0.364 660 HG13 VAL 85 3HG1 VAL 85 8.038 -6.364 -0.922 661 HG21 VAL 85 1HG2 VAL 85 9.405 -3.494 1.890 662 HG22 VAL 85 2HG2 VAL 85 7.723 -3.408 1.360 663 HG23 VAL 85 3HG2 VAL 85 9.025 -3.019 0.234 664 H LEU 86 H LEU 86 10.035 -7.751 1.019 665 HA LEU 86 HA LEU 86 8.479 -9.378 -0.613 666 HB2 LEU 86 1HB LEU 86 11.030 -9.961 0.882 667 HB3 LEU 86 2HB LEU 86 10.315 -11.064 -0.292 668 HG LEU 86 HG LEU 86 11.083 -8.238 -0.978 669 HD11 LEU 86 1HD1 LEU 86 12.713 -10.740 -1.383 670 HD12 LEU 86 2HD1 LEU 86 13.042 -9.503 -0.171 671 HD13 LEU 86 3HD1 LEU 86 13.142 -9.102 -1.884 672 HD21 LEU 86 1HD2 LEU 86 9.510 -9.211 -2.499 673 HD22 LEU 86 2HD2 LEU 86 10.454 -10.696 -2.594 674 HD23 LEU 86 3HD2 LEU 86 11.097 -9.198 -3.269 675 H LYS 87 H LYS 87 8.955 -9.441 2.843 676 HA LYS 87 HA LYS 87 7.903 -12.060 3.287 677 HB2 LYS 87 1HB LYS 87 8.299 -9.679 5.097 678 HB3 LYS 87 2HB LYS 87 7.627 -11.201 5.667 679 HG2 LYS 87 1HG LYS 87 9.660 -12.365 5.065 680 HG3 LYS 87 2HG LYS 87 10.339 -10.873 4.392 681 HD2 LYS 87 1HD LYS 87 10.293 -9.848 6.599 682 HD3 LYS 87 2HD LYS 87 9.555 -11.300 7.276 683 HE2 LYS 87 1HE LYS 87 11.537 -12.591 6.677 684 HE3 LYS 87 2HE LYS 87 12.272 -11.150 5.978 685 HZ1 LYS 87 1HZ LYS 87 12.264 -10.127 8.161 686 HZ2 LYS 87 2HZ LYS 87 13.097 -11.594 8.205 687 HZ3 LYS 87 3HZ LYS 87 11.533 -11.495 8.835 688 H CYS 88 H CYS 88 6.480 -9.194 2.333 689 HA CYS 88 HA CYS 88 3.858 -10.017 3.370 690 HB2 CYS 88 1HB CYS 88 5.021 -7.335 2.696 691 HB3 CYS 88 2HB CYS 88 3.259 -7.564 2.721 692 H VAL 89 H VAL 89 5.766 -9.938 0.617 693 HA VAL 89 HA VAL 89 3.733 -9.415 -1.343 694 HB VAL 89 HB VAL 89 6.506 -10.573 -1.628 695 HG11 VAL 89 1HG1 VAL 89 5.176 -11.313 -3.479 696 HG12 VAL 89 2HG1 VAL 89 6.226 -10.010 -4.037 697 HG13 VAL 89 3HG1 VAL 89 4.520 -9.695 -3.711 698 HG21 VAL 89 1HG2 VAL 89 7.060 -8.349 -2.548 699 HG22 VAL 89 2HG2 VAL 89 6.564 -8.289 -0.858 700 HG23 VAL 89 3HG2 VAL 89 5.440 -7.794 -2.123 701 H ASP 90 H ASP 90 2.115 -10.831 -1.519 702 HA ASP 90 HA ASP 90 2.728 -13.704 -1.437 703 HB2 ASP 90 1HB ASP 90 0.105 -12.265 -1.033 704 HB3 ASP 90 2HB ASP 90 0.249 -14.018 -1.147 705 H LYS 91 H LYS 91 1.200 -15.033 -2.806 706 HA LYS 91 HA LYS 91 1.262 -14.089 -5.556 707 HB2 LYS 91 1HB LYS 91 0.198 -16.737 -4.595 708 HB3 LYS 91 2HB LYS 91 0.870 -16.326 -6.167 709 HG2 LYS 91 1HG LYS 91 3.070 -16.156 -5.241 710 HG3 LYS 91 2HG LYS 91 2.441 -16.414 -3.617 711 HD2 LYS 91 1HD LYS 91 3.438 -18.460 -4.493 712 HD3 LYS 91 2HD LYS 91 1.702 -18.658 -4.253 713 HE2 LYS 91 1HE LYS 91 2.420 -19.654 -6.359 714 HE3 LYS 91 2HE LYS 91 1.325 -18.303 -6.637 715 HZ1 LYS 91 1HZ LYS 91 4.285 -18.150 -6.822 716 HZ2 LYS 91 2HZ LYS 91 3.191 -16.914 -7.190 717 HZ3 LYS 91 3HZ LYS 91 3.241 -18.308 -8.142 718 H ASN 92 H ASN 92 -0.600 -14.185 -6.928 719 HA ASN 92 HA ASN 92 -2.995 -13.221 -5.616 720 HB2 ASN 92 1HB ASN 92 -2.140 -12.225 -7.738 721 HB3 ASN 92 2HB ASN 92 -2.504 -13.742 -8.545 722 HD21 ASN 92 1HD2 ASN 92 -3.904 -12.673 -9.948 723 HD22 ASN 92 2HD2 ASN 92 -5.486 -12.167 -9.455 724 H THR 93 H THR 93 -3.201 -15.365 -4.503 725 HA THR 93 HA THR 93 -4.488 -17.428 -6.102 726 HB THR 93 HB THR 93 -4.735 -18.597 -3.914 727 HG1 THR 93 HG1 THR 93 -4.364 -17.540 -2.103 728 HG21 THR 93 1HG2 THR 93 -2.751 -18.976 -5.261 729 HG22 THR 93 2HG2 THR 93 -2.340 -18.993 -3.546 730 HG23 THR 93 3HG2 THR 93 -1.967 -17.576 -4.529 731 H ASP 94 H ASP 94 -5.303 -14.581 -4.558 732 HA ASP 94 HA ASP 94 -7.912 -15.250 -3.599 733 HB2 ASP 94 1HB ASP 94 -6.770 -12.519 -4.244 734 HB3 ASP 94 2HB ASP 94 -8.188 -12.855 -3.245 735 H ASN 95 H ASN 95 -6.570 -14.280 -6.609 736 HA ASN 95 HA ASN 95 -7.387 -13.790 -8.652 737 HB2 ASN 95 1HB ASN 95 -9.759 -15.265 -7.533 738 HB3 ASN 95 2HB ASN 95 -9.731 -14.636 -9.170 739 HD21 ASN 95 1HD2 ASN 95 -9.955 -16.756 -9.942 740 HD22 ASN 95 2HD2 ASN 95 -8.603 -17.845 -9.984 741 H ASN 96 H ASN 96 -7.645 -11.915 -6.449 742 HA ASN 96 HA ASN 96 -9.542 -10.082 -7.665 743 HB2 ASN 96 1HB ASN 96 -10.975 -11.037 -6.026 744 HB3 ASN 96 2HB ASN 96 -9.708 -11.041 -4.803 745 HD21 ASN 96 1HD2 ASN 96 -11.033 -9.944 -3.360 746 HD22 ASN 96 2HD2 ASN 96 -11.398 -8.260 -3.533 747 H ALA 97 H ALA 97 -8.297 -8.407 -8.104 748 HA ALA 97 HA ALA 97 -5.758 -7.967 -7.019 749 HB1 ALA 97 1HB ALA 97 -5.779 -5.871 -8.253 750 HB2 ALA 97 2HB ALA 97 -7.521 -6.010 -8.482 751 HB3 ALA 97 3HB ALA 97 -6.438 -7.181 -9.231 752 H CYS 98 H CYS 98 -8.905 -6.684 -6.097 753 HA CYS 98 HA CYS 98 -7.979 -4.564 -4.485 754 HB2 CYS 98 1HB CYS 98 -10.495 -6.199 -4.108 755 HB3 CYS 98 2HB CYS 98 -10.170 -4.619 -3.409 756 H HIS 99 H HIS 99 -8.489 -7.997 -3.772 757 HA HIS 99 HA HIS 99 -7.926 -7.580 -0.957 758 HB2 HIS 99 1HB HIS 99 -9.532 -9.346 -1.973 759 HB3 HIS 99 2HB HIS 99 -8.071 -10.271 -2.298 760 HD1 HIS 99 HD1 HIS 99 -7.619 -11.948 -0.527 761 HD2 HIS 99 HD2 HIS 99 -9.506 -8.556 0.986 762 HE1 HIS 99 HE1 HIS 99 -7.935 -12.374 1.929 763 HE2 HIS 99 HE2 HIS 99 -9.266 -10.413 2.766 764 H TRP 100 H TRP 100 -6.267 -8.559 -3.833 765 HA TRP 100 HA TRP 100 -4.031 -9.820 -2.664 766 HB2 TRP 100 1HB TRP 100 -4.658 -9.998 -5.066 767 HB3 TRP 100 2HB TRP 100 -4.174 -8.320 -5.300 768 HD1 TRP 100 HD1 TRP 100 -1.776 -10.066 -3.058 769 HE1 TRP 100 HE1 TRP 100 0.342 -10.729 -4.356 770 HE3 TRP 100 HE3 TRP 100 -3.443 -9.248 -7.828 771 HZ2 TRP 100 HZ2 TRP 100 1.194 -10.899 -7.034 772 HZ3 TRP 100 HZ3 TRP 100 -1.910 -9.682 -9.701 773 HH2 TRP 100 HH2 TRP 100 0.358 -10.493 -9.318 774 H ALA 101 H ALA 101 -4.429 -6.514 -3.931 775 HA ALA 101 HA ALA 101 -1.906 -5.574 -3.082 776 HB1 ALA 101 1HB ALA 101 -2.819 -3.339 -3.552 777 HB2 ALA 101 2HB ALA 101 -4.429 -4.042 -3.711 778 HB3 ALA 101 3HB ALA 101 -3.159 -4.480 -4.853 779 H PHE 102 H PHE 102 -5.074 -5.623 -1.580 780 HA PHE 102 HA PHE 102 -4.490 -3.811 0.484 781 HB2 PHE 102 1HB PHE 102 -6.766 -4.329 -0.188 782 HB3 PHE 102 2HB PHE 102 -6.588 -5.979 0.398 783 HD1 PHE 102 HD1 PHE 102 -7.252 -6.480 2.577 784 HD2 PHE 102 HD2 PHE 102 -6.387 -2.442 1.534 785 HE1 PHE 102 HE1 PHE 102 -8.043 -5.744 4.786 786 HE2 PHE 102 HE2 PHE 102 -7.172 -1.702 3.745 787 HZ PHE 102 HZ PHE 102 -8.002 -3.351 5.373 788 H ARG 103 H ARG 103 -4.055 -7.294 0.187 789 HA ARG 103 HA ARG 103 -3.575 -7.729 2.969 790 HB2 ARG 103 1HB ARG 103 -4.294 -9.543 1.426 791 HB3 ARG 103 2HB ARG 103 -2.715 -9.464 0.660 792 HG2 ARG 103 1HG ARG 103 -1.617 -10.136 2.665 793 HG3 ARG 103 2HG ARG 103 -3.116 -10.022 3.577 794 HD2 ARG 103 1HD ARG 103 -2.513 -12.344 3.034 795 HD3 ARG 103 2HD ARG 103 -4.050 -11.862 2.329 796 HE ARG 103 HE ARG 103 -1.530 -12.006 0.800 797 HH11 ARG 103 1HH1 ARG 103 -4.967 -12.557 1.137 798 HH12 ARG 103 2HH1 ARG 103 -5.186 -13.070 -0.509 799 HH21 ARG 103 1HH2 ARG 103 -1.825 -12.713 -1.387 800 HH22 ARG 103 2HH2 ARG 103 -3.418 -13.155 -1.932 801 H GLY 104 H GLY 104 -1.569 -7.020 0.169 802 HA2 GLY 104 1HA GLY 104 0.955 -7.384 1.400 803 HA3 GLY 104 2HA GLY 104 0.624 -6.333 0.018 804 H PHE 105 H PHE 105 -1.117 -4.533 1.082 805 HA PHE 105 HA PHE 105 0.622 -2.743 2.377 806 HB2 PHE 105 1HB PHE 105 -1.055 -1.847 0.960 807 HB3 PHE 105 2HB PHE 105 -2.332 -2.699 1.812 808 HD1 PHE 105 HD1 PHE 105 0.449 -0.526 3.003 809 HD2 PHE 105 HD2 PHE 105 -3.760 -1.108 2.715 810 HE1 PHE 105 HE1 PHE 105 0.073 1.500 4.345 811 HE2 PHE 105 HE2 PHE 105 -4.135 0.911 4.062 812 HZ PHE 105 HZ PHE 105 -2.217 2.220 4.878 813 H LYS 106 H LYS 106 -2.135 -4.638 3.522 814 HA LYS 106 HA LYS 106 -2.204 -3.538 6.108 815 HB2 LYS 106 1HB LYS 106 -4.196 -4.496 5.481 816 HB3 LYS 106 2HB LYS 106 -3.440 -5.943 4.820 817 HG2 LYS 106 1HG LYS 106 -3.001 -6.715 7.105 818 HG3 LYS 106 2HG LYS 106 -3.735 -5.237 7.735 819 HD2 LYS 106 1HD LYS 106 -5.849 -5.851 6.623 820 HD3 LYS 106 2HD LYS 106 -5.105 -7.356 6.082 821 HE2 LYS 106 1HE LYS 106 -5.548 -6.501 8.939 822 HE3 LYS 106 2HE LYS 106 -6.457 -7.734 8.069 823 HZ1 LYS 106 1HZ LYS 106 -3.584 -7.839 8.795 824 HZ2 LYS 106 2HZ LYS 106 -4.375 -8.997 7.851 825 HZ3 LYS 106 3HZ LYS 106 -4.829 -8.767 9.462 826 H CYS 107 H CYS 107 -0.586 -6.343 4.750 827 HA CYS 107 HA CYS 107 0.328 -7.524 7.114 828 HB2 CYS 107 1HB CYS 107 0.456 -8.801 5.135 829 HB3 CYS 107 2HB CYS 107 1.338 -7.549 4.271 830 H PHE 108 H PHE 108 1.657 -4.956 5.110 831 HA PHE 108 HA PHE 108 4.215 -4.977 6.393 832 HB2 PHE 108 1HB PHE 108 3.772 -4.346 3.997 833 HB3 PHE 108 2HB PHE 108 3.078 -2.840 4.595 834 HD1 PHE 108 HD1 PHE 108 4.511 -1.132 5.598 835 HD2 PHE 108 HD2 PHE 108 6.129 -4.751 4.041 836 HE1 PHE 108 HE1 PHE 108 6.762 -0.136 5.620 837 HE2 PHE 108 HE2 PHE 108 8.374 -3.760 4.065 838 HZ PHE 108 HZ PHE 108 8.694 -1.451 4.852 839 H GLN 109 H GLN 109 1.414 -2.738 6.447 840 HA GLN 109 HA GLN 109 2.651 -0.835 8.121 841 HB2 GLN 109 1HB GLN 109 0.401 0.058 8.476 842 HB3 GLN 109 2HB GLN 109 0.735 -0.245 6.775 843 HG2 GLN 109 1HG GLN 109 -0.695 -2.052 6.685 844 HG3 GLN 109 2HG GLN 109 -0.701 -2.272 8.438 845 HE21 GLN 109 1HE2 GLN 109 -2.935 -2.211 8.586 846 HE22 GLN 109 2HE2 GLN 109 -3.851 -0.759 8.346 847 H LYS 110 H LYS 110 1.132 -3.849 8.784 848 HA LYS 110 HA LYS 110 0.314 -3.427 11.441 849 HB2 LYS 110 1HB LYS 110 -0.351 -5.327 9.963 850 HB3 LYS 110 2HB LYS 110 1.254 -6.007 10.181 851 HG2 LYS 110 1HG LYS 110 0.786 -6.054 12.635 852 HG3 LYS 110 2HG LYS 110 -0.866 -5.574 12.260 853 HD2 LYS 110 1HD LYS 110 -1.170 -7.578 10.917 854 HD3 LYS 110 2HD LYS 110 0.498 -8.057 11.225 855 HE2 LYS 110 1HE LYS 110 -1.656 -7.729 13.310 856 HE3 LYS 110 2HE LYS 110 -1.084 -9.262 12.658 857 HZ1 LYS 110 1HZ LYS 110 0.532 -7.314 14.212 858 HZ2 LYS 110 2HZ LYS 110 1.121 -8.753 13.546 859 HZ3 LYS 110 3HZ LYS 110 -0.045 -8.802 14.768 860 H ASN 111 H ASN 111 3.426 -3.888 10.020 861 HA ASN 111 HA ASN 111 4.601 -4.137 12.716 862 HB2 ASN 111 1HB ASN 111 5.876 -4.941 10.095 863 HB3 ASN 111 2HB ASN 111 6.558 -5.144 11.702 864 HD21 ASN 111 1HD2 ASN 111 6.016 -7.124 9.660 865 HD22 ASN 111 2HD2 ASN 111 4.961 -8.285 10.388 866 H ASN 112 H ASN 112 4.603 -2.423 9.675 867 HA ASN 112 HA ASN 112 6.604 -0.543 10.735 868 HB2 ASN 112 1HB ASN 112 6.568 -1.797 7.980 869 HB3 ASN 112 2HB ASN 112 7.600 -0.445 8.453 870 HD21 ASN 112 1HD2 ASN 112 7.998 -3.360 7.636 871 HD22 ASN 112 2HD2 ASN 112 9.153 -3.938 8.792 872 H LEU 113 H LEU 113 4.423 0.580 11.122 873 HA LEU 113 HA LEU 113 3.217 1.654 8.705 874 HB2 LEU 113 1HB LEU 113 1.674 1.012 10.399 875 HB3 LEU 113 2HB LEU 113 2.500 1.967 11.611 876 HG LEU 113 HG LEU 113 1.820 4.021 10.368 877 HD11 LEU 113 1HD1 LEU 113 0.153 3.876 8.634 878 HD12 LEU 113 2HD1 LEU 113 0.134 2.118 8.759 879 HD13 LEU 113 3HD1 LEU 113 1.574 2.942 8.163 880 HD21 LEU 113 1HD2 LEU 113 0.534 3.191 12.271 881 HD22 LEU 113 2HD2 LEU 113 -0.428 2.188 11.185 882 HD23 LEU 113 3HD2 LEU 113 -0.512 3.947 11.069 883 H SER 114 H SER 114 5.280 2.711 11.325 884 HA SER 114 HA SER 114 5.088 5.495 10.892 885 HB2 SER 114 1HB SER 114 6.102 4.463 12.921 886 HB3 SER 114 2HB SER 114 7.467 3.935 11.940 887 HG SER 114 HG SER 114 6.752 6.512 12.778 888 H LEU 115 H LEU 115 7.053 2.975 9.430 889 HA LEU 115 HA LEU 115 8.777 4.626 7.942 890 HB2 LEU 115 1HB LEU 115 9.055 2.186 8.363 891 HB3 LEU 115 2HB LEU 115 7.765 1.888 7.214 892 HG LEU 115 HG LEU 115 9.147 3.019 5.469 893 HD11 LEU 115 1HD1 LEU 115 11.150 3.004 7.704 894 HD12 LEU 115 2HD1 LEU 115 10.565 4.387 6.782 895 HD13 LEU 115 3HD1 LEU 115 11.594 3.182 6.008 896 HD21 LEU 115 1HD2 LEU 115 10.411 0.623 6.801 897 HD22 LEU 115 2HD2 LEU 115 10.650 1.134 5.130 898 HD23 LEU 115 3HD2 LEU 115 9.063 0.578 5.664 899 H ILE 116 H ILE 116 5.556 3.378 7.363 900 HA ILE 116 HA ILE 116 5.369 4.073 4.634 901 HB ILE 116 HB ILE 116 3.186 3.727 6.702 902 HG12 ILE 116 1HG1 ILE 116 4.303 1.836 4.614 903 HG13 ILE 116 2HG1 ILE 116 4.541 1.715 6.364 904 HG21 ILE 116 1HG2 ILE 116 2.371 5.052 4.840 905 HG22 ILE 116 2HG2 ILE 116 1.683 3.428 4.778 906 HG23 ILE 116 3HG2 ILE 116 3.005 3.866 3.697 907 HD11 ILE 116 1HD1 ILE 116 2.074 1.447 6.586 908 HD12 ILE 116 2HD1 ILE 116 2.885 0.140 5.723 909 HD13 ILE 116 3HD1 ILE 116 1.985 1.363 4.827 910 H LYS 117 H LYS 117 4.526 5.745 7.623 911 HA LYS 117 HA LYS 117 3.430 8.046 6.405 912 HB2 LYS 117 1HB LYS 117 4.630 7.589 9.132 913 HB3 LYS 117 2HB LYS 117 3.882 9.107 8.652 914 HG2 LYS 117 1HG LYS 117 1.769 7.929 8.252 915 HG3 LYS 117 2HG LYS 117 2.514 6.416 8.764 916 HD2 LYS 117 1HD LYS 117 2.905 7.337 10.984 917 HD3 LYS 117 2HD LYS 117 2.236 8.889 10.479 918 HE2 LYS 117 1HE LYS 117 0.073 7.773 10.046 919 HE3 LYS 117 2HE LYS 117 0.760 6.264 10.646 920 HZ1 LYS 117 1HZ LYS 117 -0.529 7.414 12.342 921 HZ2 LYS 117 2HZ LYS 117 0.476 8.767 12.218 922 HZ3 LYS 117 3HZ LYS 117 1.097 7.302 12.790 923 H ALA 118 H ALA 118 6.677 7.116 7.363 924 HA ALA 118 HA ALA 118 7.811 9.717 6.933 925 HB1 ALA 118 1HB ALA 118 9.922 8.648 7.419 926 HB2 ALA 118 2HB ALA 118 9.165 7.059 7.296 927 HB3 ALA 118 3HB ALA 118 8.697 8.161 8.589 928 H SER 119 H SER 119 7.194 6.963 4.930 929 HA SER 119 HA SER 119 9.224 7.439 3.012 930 HB2 SER 119 1HB SER 119 8.050 5.842 1.609 931 HB3 SER 119 2HB SER 119 8.063 5.259 3.271 932 HG SER 119 HG SER 119 5.913 6.005 3.478 933 H ILE 120 H ILE 120 5.988 8.652 3.457 934 HA ILE 120 HA ILE 120 6.095 10.072 0.905 935 HB ILE 120 HB ILE 120 3.754 10.715 1.409 936 HG12 ILE 120 1HG1 ILE 120 3.970 8.828 3.755 937 HG13 ILE 120 2HG1 ILE 120 4.037 10.582 3.911 938 HG21 ILE 120 1HG2 ILE 120 4.208 8.735 0.087 939 HG22 ILE 120 2HG2 ILE 120 2.790 8.478 1.106 940 HG23 ILE 120 3HG2 ILE 120 4.340 7.767 1.556 941 HD11 ILE 120 1HD1 ILE 120 1.823 9.751 4.414 942 HD12 ILE 120 2HD1 ILE 120 1.731 8.988 2.828 943 HD13 ILE 120 3HD1 ILE 120 1.796 10.745 2.956 944 H LYS 121 H LYS 121 7.032 10.558 4.037 945 HA LYS 121 HA LYS 121 6.382 13.393 4.165 946 HB2 LYS 121 1HB LYS 121 6.213 11.928 6.173 947 HB3 LYS 121 2HB LYS 121 7.945 11.660 6.085 948 HG2 LYS 121 1HG LYS 121 8.349 14.032 6.472 949 HG3 LYS 121 2HG LYS 121 6.609 14.324 6.517 950 HD2 LYS 121 1HD LYS 121 7.499 14.196 8.772 951 HD3 LYS 121 2HD LYS 121 6.419 12.836 8.463 952 HE2 LYS 121 1HE LYS 121 8.361 11.399 8.039 953 HE3 LYS 121 2HE LYS 121 9.436 12.761 8.346 954 HZ1 LYS 121 1HZ LYS 121 7.561 11.576 10.321 955 HZ2 LYS 121 2HZ LYS 121 8.626 12.856 10.610 956 HZ3 LYS 121 3HZ LYS 121 9.232 11.314 10.274 957 H LYS 122 H LYS 122 7.689 14.849 3.288 958 HA LYS 122 HA LYS 122 9.514 15.943 2.541 959 HB2 LYS 122 1HB LYS 122 10.795 15.838 4.410 960 HB3 LYS 122 2HB LYS 122 10.704 14.103 4.522 961 HG2 LYS 122 1HG LYS 122 12.293 14.067 2.511 962 HG3 LYS 122 2HG LYS 122 12.540 15.783 2.841 963 HD2 LYS 122 1HD LYS 122 13.357 15.286 5.055 964 HD3 LYS 122 2HD LYS 122 12.978 13.575 4.850 965 HE2 LYS 122 1HE LYS 122 14.568 13.533 2.929 966 HE3 LYS 122 2HE LYS 122 15.029 15.182 3.339 967 HZ1 LYS 122 1HZ LYS 122 16.572 13.587 4.267 968 HZ2 LYS 122 2HZ LYS 122 15.323 12.808 5.101 969 HZ3 LYS 122 3HZ LYS 122 15.754 14.390 5.507 970 H ASP 123 H ASP 123 10.653 15.927 0.658 971 HA ASP 123 HA ASP 123 10.634 13.446 -0.837 972 HB2 ASP 123 1HB ASP 123 11.276 14.791 -2.773 973 HB3 ASP 123 2HB ASP 123 9.893 15.507 -1.960 974 H21 ACD 201 H21 ACD 1 -4.744 5.068 1.382 975 H22 ACD 201 H22 ACD 1 -3.634 5.035 2.760 976 H31 ACD 201 H31 ACD 1 -2.095 6.581 1.489 977 H32 ACD 201 H32 ACD 1 -3.171 6.461 0.099 978 H41 ACD 201 H41 ACD 1 -2.826 3.951 0.114 979 H42 ACD 201 H42 ACD 1 -1.351 4.875 -0.219 980 H5 ACD 201 H5 ACD 1 -1.947 3.267 2.312 981 H6 ACD 201 H6 ACD 1 0.322 3.835 2.822 982 H71 ACD 201 H71 ACD 1 0.759 4.993 0.198 983 H72 ACD 201 H72 ACD 1 -0.147 6.231 1.069 984 H8 ACD 201 H8 ACD 1 1.733 6.567 2.655 985 H9 ACD 201 H9 ACD 1 3.830 5.587 2.078 986 H101 ACD 201 H101 ACD 1 2.746 4.714 -0.483 987 H102 ACD 201 H102 ACD 1 2.284 3.457 0.666 988 H11 ACD 201 H11 ACD 1 5.250 4.321 0.508 989 H12 ACD 201 H12 ACD 1 5.558 1.983 0.217 990 H131 ACD 201 H131 ACD 1 2.577 2.021 -0.460 991 H132 ACD 201 H132 ACD 1 3.671 0.641 -0.587 992 H14 ACD 201 H14 ACD 1 2.579 1.681 2.129 993 H15 ACD 201 H15 ACD 1 2.492 -0.662 2.565 994 H161 ACD 201 H161 ACD 1 2.678 -1.304 -0.263 995 H162 ACD 201 H162 ACD 1 4.339 -0.955 0.226 996 H171 ACD 201 H171 ACD 1 4.313 -2.683 1.902 997 H172 ACD 201 H172 ACD 1 2.567 -2.901 1.754 998 H181 ACD 201 H181 ACD 1 4.581 -3.461 -0.471 999 H182 ACD 201 H182 ACD 1 2.841 -3.757 -0.547 1000 H191 ACD 201 H191 ACD 1 4.824 -5.093 1.349 1001 H192 ACD 201 H192 ACD 1 3.076 -5.329 1.420 1002 H201 ACD 201 H201 ACD 1 4.838 -5.977 -0.956 1003 H202 ACD 201 H202 ACD 1 3.126 -6.207 -0.891 1004 H203 ACD 201 H203 ACD 1 4.159 -7.128 0.144 Start of MODEL 18 1 H1 MET 1 1H MET 1 12.922 13.108 -16.379 2 H2 MET 1 2H MET 1 13.924 13.265 -17.729 3 H3 MET 1 3H MET 1 14.454 13.809 -16.219 4 HA MET 1 HA MET 1 13.921 11.002 -16.993 5 HB2 MET 1 1HB MET 1 16.293 10.648 -16.816 6 HB3 MET 1 2HB MET 1 16.015 11.991 -17.912 7 HG2 MET 1 1HG MET 1 16.804 12.263 -15.019 8 HG3 MET 1 2HG MET 1 17.917 12.339 -16.382 9 HE1 MET 1 1HE MET 1 16.311 13.960 -18.565 10 HE2 MET 1 2HE MET 1 17.987 14.295 -18.142 11 HE3 MET 1 3HE MET 1 16.814 15.610 -18.199 12 H GLU 2 H GLU 2 14.026 13.292 -14.468 13 HA GLU 2 HA GLU 2 14.884 11.519 -12.394 14 HB2 GLU 2 1HB GLU 2 13.562 14.219 -12.333 15 HB3 GLU 2 2HB GLU 2 14.023 13.334 -10.887 16 HG2 GLU 2 1HG GLU 2 15.913 14.157 -13.066 17 HG3 GLU 2 2HG GLU 2 15.667 15.034 -11.556 18 H PHE 3 H PHE 3 13.754 10.194 -11.172 19 HA PHE 3 HA PHE 3 10.925 9.854 -11.645 20 HB2 PHE 3 1HB PHE 3 12.348 7.890 -11.307 21 HB3 PHE 3 2HB PHE 3 12.787 8.467 -9.697 22 HD1 PHE 3 HD1 PHE 3 11.297 8.206 -7.848 23 HD2 PHE 3 HD2 PHE 3 10.114 7.033 -11.761 24 HE1 PHE 3 HE1 PHE 3 9.383 6.988 -6.896 25 HE2 PHE 3 HE2 PHE 3 8.195 5.811 -10.819 26 HZ PHE 3 HZ PHE 3 7.828 5.787 -8.382 27 H THR 4 H THR 4 9.337 10.690 -10.455 28 HA THR 4 HA THR 4 10.094 12.367 -8.171 29 HB THR 4 HB THR 4 7.295 12.472 -8.998 30 HG1 THR 4 HG1 THR 4 9.292 13.313 -10.863 31 HG21 THR 4 1HG2 THR 4 9.498 14.520 -8.801 32 HG22 THR 4 2HG2 THR 4 8.320 14.120 -7.550 33 HG23 THR 4 3HG2 THR 4 7.789 14.879 -9.048 34 H VAL 5 H VAL 5 9.830 11.613 -6.220 35 HA VAL 5 HA VAL 5 8.338 9.180 -5.747 36 HB VAL 5 HB VAL 5 9.358 9.032 -3.710 37 HG11 VAL 5 1HG1 VAL 5 11.630 9.814 -3.781 38 HG12 VAL 5 2HG1 VAL 5 11.219 10.965 -5.049 39 HG13 VAL 5 3HG1 VAL 5 11.114 9.233 -5.362 40 HG21 VAL 5 1HG2 VAL 5 10.013 10.892 -2.262 41 HG22 VAL 5 2HG2 VAL 5 8.307 10.989 -2.696 42 HG23 VAL 5 3HG2 VAL 5 9.480 12.040 -3.490 43 H SER 6 H SER 6 6.479 8.942 -4.621 44 HA SER 6 HA SER 6 4.696 11.187 -4.768 45 HB2 SER 6 1HB SER 6 3.027 9.482 -3.917 46 HB3 SER 6 2HB SER 6 3.824 9.069 -5.436 47 HG SER 6 HG SER 6 4.691 8.164 -2.889 48 H THR 7 H THR 7 5.248 12.681 -3.222 49 HA THR 7 HA THR 7 5.532 11.943 -0.455 50 HB THR 7 HB THR 7 6.707 13.922 -1.482 51 HG1 THR 7 HG1 THR 7 6.189 13.647 0.862 52 HG21 THR 7 1HG2 THR 7 5.440 16.039 -1.642 53 HG22 THR 7 2HG2 THR 7 3.946 15.138 -1.376 54 HG23 THR 7 3HG2 THR 7 4.909 14.843 -2.822 55 H THR 8 H THR 8 4.096 13.610 1.023 56 HA THR 8 HA THR 8 1.641 12.394 1.284 57 HB THR 8 HB THR 8 2.384 15.177 2.178 58 HG1 THR 8 HG1 THR 8 3.289 12.752 2.913 59 HG21 THR 8 1HG2 THR 8 0.677 14.818 3.910 60 HG22 THR 8 2HG2 THR 8 0.250 13.284 3.148 61 HG23 THR 8 3HG2 THR 8 -0.008 14.800 2.285 62 H GLU 9 H GLU 9 2.259 15.590 -0.194 63 HA GLU 9 HA GLU 9 -0.395 16.179 -0.779 64 HB2 GLU 9 1HB GLU 9 1.378 17.854 -0.868 65 HB3 GLU 9 2HB GLU 9 2.071 17.064 -2.279 66 HG2 GLU 9 1HG GLU 9 0.112 17.579 -3.578 67 HG3 GLU 9 2HG GLU 9 -0.682 18.261 -2.162 68 H ASP 10 H ASP 10 2.052 14.628 -2.868 69 HA ASP 10 HA ASP 10 0.424 14.253 -5.117 70 HB2 ASP 10 1HB ASP 10 2.686 12.494 -4.132 71 HB3 ASP 10 2HB ASP 10 1.929 12.395 -5.722 72 H LEU 11 H LEU 11 0.880 12.278 -2.233 73 HA LEU 11 HA LEU 11 -0.655 10.090 -3.071 74 HB2 LEU 11 1HB LEU 11 0.841 9.872 -1.218 75 HB3 LEU 11 2HB LEU 11 -0.032 11.100 -0.293 76 HG LEU 11 HG LEU 11 -1.990 9.565 -0.250 77 HD11 LEU 11 1HD1 LEU 11 -1.427 8.300 -2.270 78 HD12 LEU 11 2HD1 LEU 11 -1.709 7.254 -0.882 79 HD13 LEU 11 3HD1 LEU 11 -0.059 7.577 -1.420 80 HD21 LEU 11 1HD2 LEU 11 -0.318 9.699 1.582 81 HD22 LEU 11 2HD2 LEU 11 0.531 8.337 0.851 82 HD23 LEU 11 3HD2 LEU 11 -1.108 8.129 1.462 83 H GLN 12 H GLN 12 -1.532 13.053 -1.352 84 HA GLN 12 HA GLN 12 -4.219 12.280 -0.858 85 HB2 GLN 12 1HB GLN 12 -2.932 15.005 -0.942 86 HB3 GLN 12 2HB GLN 12 -4.562 14.685 -0.358 87 HG2 GLN 12 1HG GLN 12 -2.065 13.473 0.790 88 HG3 GLN 12 2HG GLN 12 -2.889 14.883 1.452 89 HE21 GLN 12 1HE2 GLN 12 -2.362 12.240 2.634 90 HE22 GLN 12 2HE2 GLN 12 -3.905 11.605 3.084 91 H ARG 13 H ARG 13 -2.554 13.796 -3.493 92 HA ARG 13 HA ARG 13 -4.755 14.750 -4.966 93 HB2 ARG 13 1HB ARG 13 -2.419 15.375 -5.425 94 HB3 ARG 13 2HB ARG 13 -2.089 13.733 -5.960 95 HG2 ARG 13 1HG ARG 13 -3.843 14.062 -7.725 96 HG3 ARG 13 2HG ARG 13 -3.872 15.772 -7.257 97 HD2 ARG 13 1HD ARG 13 -1.521 14.212 -8.320 98 HD3 ARG 13 2HD ARG 13 -2.413 15.480 -9.154 99 HE ARG 13 HE ARG 13 -1.559 16.998 -7.354 100 HH11 ARG 13 1HH1 ARG 13 0.176 14.092 -8.241 101 HH12 ARG 13 2HH1 ARG 13 1.719 14.693 -7.716 102 HH21 ARG 13 1HH2 ARG 13 0.483 17.820 -6.717 103 HH22 ARG 13 2HH2 ARG 13 1.895 16.827 -6.882 104 H TYR 14 H TYR 14 -2.946 11.691 -5.177 105 HA TYR 14 HA TYR 14 -4.513 10.534 -7.216 106 HB2 TYR 14 1HB TYR 14 -2.962 9.081 -5.066 107 HB3 TYR 14 2HB TYR 14 -3.488 8.425 -6.607 108 HD1 TYR 14 HD1 TYR 14 -2.741 10.566 -8.482 109 HD2 TYR 14 HD2 TYR 14 -0.635 8.991 -5.134 110 HE1 TYR 14 HE1 TYR 14 -0.611 11.224 -9.517 111 HE2 TYR 14 HE2 TYR 14 1.497 9.659 -6.156 112 HH TYR 14 HH TYR 14 2.395 10.119 -8.394 113 H ARG 15 H ARG 15 -4.826 10.592 -3.734 114 HA ARG 15 HA ARG 15 -6.595 8.566 -3.276 115 HB2 ARG 15 1HB ARG 15 -6.132 9.456 -1.272 116 HB3 ARG 15 2HB ARG 15 -5.869 11.061 -1.930 117 HG2 ARG 15 1HG ARG 15 -8.492 11.094 -2.076 118 HG3 ARG 15 2HG ARG 15 -8.372 9.788 -0.893 119 HD2 ARG 15 1HD ARG 15 -8.609 11.792 0.353 120 HD3 ARG 15 2HD ARG 15 -6.909 11.336 0.477 121 HE ARG 15 HE ARG 15 -6.767 12.998 -1.560 122 HH11 ARG 15 1HH1 ARG 15 -8.607 13.316 1.399 123 HH12 ARG 15 2HH1 ARG 15 -8.556 15.049 1.400 124 HH21 ARG 15 1HH2 ARG 15 -6.689 15.284 -1.566 125 HH22 ARG 15 2HH2 ARG 15 -7.451 16.168 -0.280 126 H THR 16 H THR 16 -7.306 11.869 -4.323 127 HA THR 16 HA THR 16 -10.093 11.731 -4.218 128 HB THR 16 HB THR 16 -8.202 13.440 -5.813 129 HG1 THR 16 HG1 THR 16 -8.650 14.939 -4.235 130 HG21 THR 16 1HG2 THR 16 -10.271 13.326 -7.072 131 HG22 THR 16 2HG2 THR 16 -10.127 14.909 -6.301 132 HG23 THR 16 3HG2 THR 16 -11.207 13.690 -5.619 133 H GLU 17 H GLU 17 -7.841 11.187 -6.911 134 HA GLU 17 HA GLU 17 -9.800 10.861 -8.900 135 HB2 GLU 17 1HB GLU 17 -7.206 9.377 -9.090 136 HB3 GLU 17 2HB GLU 17 -8.084 10.244 -10.332 137 HG2 GLU 17 1HG GLU 17 -7.482 12.374 -9.199 138 HG3 GLU 17 2HG GLU 17 -6.433 11.443 -8.125 139 H CYS 18 H CYS 18 -8.422 8.627 -6.588 140 HA CYS 18 HA CYS 18 -9.733 6.343 -7.768 141 HB2 CYS 18 1HB CYS 18 -8.246 6.690 -5.164 142 HB3 CYS 18 2HB CYS 18 -8.952 5.163 -5.707 143 H VAL 19 H VAL 19 -10.336 8.599 -5.155 144 HA VAL 19 HA VAL 19 -12.411 7.150 -3.910 145 HB VAL 19 HB VAL 19 -11.500 9.994 -3.781 146 HG11 VAL 19 1HG1 VAL 19 -13.265 10.528 -2.186 147 HG12 VAL 19 2HG1 VAL 19 -14.016 8.961 -2.481 148 HG13 VAL 19 3HG1 VAL 19 -13.934 10.157 -3.777 149 HG21 VAL 19 1HG2 VAL 19 -10.329 8.351 -2.459 150 HG22 VAL 19 2HG2 VAL 19 -11.846 7.788 -1.758 151 HG23 VAL 19 3HG2 VAL 19 -11.251 9.411 -1.395 152 H SER 20 H SER 20 -12.478 9.899 -6.143 153 HA SER 20 HA SER 20 -15.305 9.941 -6.341 154 HB2 SER 20 1HB SER 20 -13.706 11.843 -6.793 155 HB3 SER 20 2HB SER 20 -13.320 11.065 -8.324 156 HG SER 20 HG SER 20 -15.966 11.740 -7.559 157 H SER 21 H SER 21 -12.947 7.911 -7.799 158 HA SER 21 HA SER 21 -14.604 7.282 -10.108 159 HB2 SER 21 1HB SER 21 -12.108 7.473 -10.271 160 HB3 SER 21 2HB SER 21 -11.979 6.040 -9.254 161 HG SER 21 HG SER 21 -13.023 6.269 -11.873 162 H LEU 22 H LEU 22 -13.345 5.639 -7.189 163 HA LEU 22 HA LEU 22 -14.732 3.201 -7.881 164 HB2 LEU 22 1HB LEU 22 -13.012 3.999 -5.541 165 HB3 LEU 22 2HB LEU 22 -13.784 2.415 -5.667 166 HG LEU 22 HG LEU 22 -11.856 3.506 -7.713 167 HD11 LEU 22 1HD1 LEU 22 -10.701 3.265 -5.601 168 HD12 LEU 22 2HD1 LEU 22 -10.232 1.952 -6.681 169 HD13 LEU 22 3HD1 LEU 22 -11.385 1.656 -5.379 170 HD21 LEU 22 1HD2 LEU 22 -11.748 1.184 -8.433 171 HD22 LEU 22 2HD2 LEU 22 -13.398 1.802 -8.526 172 HD23 LEU 22 3HD2 LEU 22 -12.928 0.739 -7.199 173 H ASN 23 H ASN 23 -16.029 5.875 -6.897 174 HA ASN 23 HA ASN 23 -17.824 6.548 -5.673 175 HB2 ASN 23 1HB ASN 23 -18.828 4.668 -6.985 176 HB3 ASN 23 2HB ASN 23 -18.547 3.618 -5.611 177 HD21 ASN 23 1HD2 ASN 23 -20.741 3.200 -5.363 178 HD22 ASN 23 2HD2 ASN 23 -21.841 4.385 -4.741 179 H ILE 24 H ILE 24 -15.470 6.156 -4.197 180 HA ILE 24 HA ILE 24 -16.005 4.730 -1.782 181 HB ILE 24 HB ILE 24 -13.967 6.922 -2.187 182 HG12 ILE 24 1HG1 ILE 24 -13.718 5.197 -3.942 183 HG13 ILE 24 2HG1 ILE 24 -12.368 5.182 -2.813 184 HG21 ILE 24 1HG2 ILE 24 -14.329 6.310 0.128 185 HG22 ILE 24 2HG2 ILE 24 -12.750 5.738 -0.407 186 HG23 ILE 24 3HG2 ILE 24 -14.096 4.605 -0.260 187 HD11 ILE 24 1HD1 ILE 24 -13.068 2.937 -3.419 188 HD12 ILE 24 2HD1 ILE 24 -14.691 3.270 -2.810 189 HD13 ILE 24 3HD1 ILE 24 -13.319 3.237 -1.699 190 HA PRO 25 HA PRO 25 -18.708 7.872 -0.040 191 HB2 PRO 25 1HB PRO 25 -18.233 6.349 2.433 192 HB3 PRO 25 2HB PRO 25 -19.751 6.728 1.615 193 HG2 PRO 25 1HG PRO 25 -18.711 4.257 1.617 194 HG3 PRO 25 2HG PRO 25 -19.626 4.905 0.245 195 HD2 PRO 25 1HD PRO 25 -16.675 4.552 0.562 196 HD3 PRO 25 2HD PRO 25 -17.693 4.358 -0.887 197 H ALA 26 H ALA 26 -18.367 9.694 1.037 198 HA ALA 26 HA ALA 26 -15.817 10.673 1.520 199 HB1 ALA 26 1HB ALA 26 -16.915 12.552 2.593 200 HB2 ALA 26 2HB ALA 26 -18.401 11.615 2.750 201 HB3 ALA 26 3HB ALA 26 -17.805 12.060 1.151 202 H ASP 27 H ASP 27 -18.065 9.100 3.728 203 HA ASP 27 HA ASP 27 -16.798 9.606 6.155 204 HB2 ASP 27 1HB ASP 27 -18.990 8.559 6.007 205 HB3 ASP 27 2HB ASP 27 -18.276 7.111 5.307 206 H TYR 28 H TYR 28 -16.261 6.917 3.873 207 HA TYR 28 HA TYR 28 -14.224 5.652 5.279 208 HB2 TYR 28 1HB TYR 28 -15.020 5.721 2.401 209 HB3 TYR 28 2HB TYR 28 -13.523 4.910 2.864 210 HD1 TYR 28 HD1 TYR 28 -13.580 2.739 3.831 211 HD2 TYR 28 HD2 TYR 28 -17.184 4.967 3.437 212 HE1 TYR 28 HE1 TYR 28 -14.875 0.747 4.461 213 HE2 TYR 28 HE2 TYR 28 -18.487 2.977 4.058 214 HH TYR 28 HH TYR 28 -18.333 0.639 4.174 215 H VAL 29 H VAL 29 -14.124 8.327 3.004 216 HA VAL 29 HA VAL 29 -11.374 8.517 2.602 217 HB VAL 29 HB VAL 29 -13.397 10.747 2.688 218 HG11 VAL 29 1HG1 VAL 29 -11.161 11.637 2.791 219 HG12 VAL 29 2HG1 VAL 29 -11.808 11.895 1.171 220 HG13 VAL 29 3HG1 VAL 29 -10.650 10.595 1.464 221 HG21 VAL 29 1HG2 VAL 29 -12.460 8.979 0.444 222 HG22 VAL 29 2HG2 VAL 29 -13.448 10.425 0.234 223 HG23 VAL 29 3HG2 VAL 29 -14.080 9.049 1.139 224 H GLU 30 H GLU 30 -13.421 9.910 5.139 225 HA GLU 30 HA GLU 30 -11.377 11.398 6.432 226 HB2 GLU 30 1HB GLU 30 -13.769 10.292 7.867 227 HB3 GLU 30 2HB GLU 30 -12.920 11.815 8.113 228 HG2 GLU 30 1HG GLU 30 -13.728 12.594 5.939 229 HG3 GLU 30 2HG GLU 30 -14.655 11.111 5.773 230 H LYS 31 H LYS 31 -12.437 8.077 6.669 231 HA LYS 31 HA LYS 31 -11.070 7.352 9.026 232 HB2 LYS 31 1HB LYS 31 -11.615 5.634 6.600 233 HB3 LYS 31 2HB LYS 31 -11.162 5.051 8.206 234 HG2 LYS 31 1HG LYS 31 -13.257 5.979 9.103 235 HG3 LYS 31 2HG LYS 31 -13.710 6.485 7.475 236 HD2 LYS 31 1HD LYS 31 -13.337 4.006 6.837 237 HD3 LYS 31 2HD LYS 31 -13.417 3.709 8.585 238 HE2 LYS 31 1HE LYS 31 -15.557 5.083 6.949 239 HE3 LYS 31 2HE LYS 31 -15.607 3.403 7.479 240 HZ1 LYS 31 1HZ LYS 31 -15.707 4.102 9.738 241 HZ2 LYS 31 2HZ LYS 31 -16.886 4.965 8.881 242 HZ3 LYS 31 3HZ LYS 31 -15.439 5.719 9.322 243 H PHE 32 H PHE 32 -10.121 7.212 5.617 244 HA PHE 32 HA PHE 32 -7.627 6.010 5.981 245 HB2 PHE 32 1HB PHE 32 -8.410 7.895 3.760 246 HB3 PHE 32 2HB PHE 32 -7.141 6.676 3.708 247 HD1 PHE 32 HD1 PHE 32 -9.783 7.166 1.991 248 HD2 PHE 32 HD2 PHE 32 -8.640 4.444 5.054 249 HE1 PHE 32 HE1 PHE 32 -11.406 5.523 1.136 250 HE2 PHE 32 HE2 PHE 32 -10.255 2.801 4.203 251 HZ PHE 32 HZ PHE 32 -11.637 3.333 2.239 252 H LYS 33 H LYS 33 -8.582 9.394 6.047 253 HA LYS 33 HA LYS 33 -6.012 10.540 6.116 254 HB2 LYS 33 1HB LYS 33 -8.294 11.718 5.881 255 HB3 LYS 33 2HB LYS 33 -8.370 11.629 7.641 256 HG2 LYS 33 1HG LYS 33 -6.310 12.880 7.831 257 HG3 LYS 33 2HG LYS 33 -6.170 12.946 6.069 258 HD2 LYS 33 1HD LYS 33 -8.334 14.170 6.004 259 HD3 LYS 33 2HD LYS 33 -8.333 14.192 7.768 260 HE2 LYS 33 1HE LYS 33 -7.486 16.294 6.916 261 HE3 LYS 33 2HE LYS 33 -6.197 15.410 7.733 262 HZ1 LYS 33 1HZ LYS 33 -6.621 15.521 4.796 263 HZ2 LYS 33 2HZ LYS 33 -5.382 14.682 5.580 264 HZ3 LYS 33 3HZ LYS 33 -5.434 16.369 5.652 265 H LYS 34 H LYS 34 -8.012 9.053 8.571 266 HA LYS 34 HA LYS 34 -6.151 9.756 10.689 267 HB2 LYS 34 1HB LYS 34 -8.793 8.303 10.647 268 HB3 LYS 34 2HB LYS 34 -7.797 8.375 12.096 269 HG2 LYS 34 1HG LYS 34 -8.900 10.747 10.601 270 HG3 LYS 34 2HG LYS 34 -9.567 10.064 12.085 271 HD2 LYS 34 1HD LYS 34 -7.407 10.529 13.211 272 HD3 LYS 34 2HD LYS 34 -6.843 11.314 11.735 273 HE2 LYS 34 1HE LYS 34 -9.221 12.152 13.390 274 HE3 LYS 34 2HE LYS 34 -7.650 12.946 13.365 275 HZ1 LYS 34 1HZ LYS 34 -9.572 12.742 11.115 276 HZ2 LYS 34 2HZ LYS 34 -8.012 13.376 10.976 277 HZ3 LYS 34 3HZ LYS 34 -9.149 14.139 11.967 278 H TRP 35 H TRP 35 -5.591 7.850 8.382 279 HA TRP 35 HA TRP 35 -4.586 5.880 7.946 280 HB2 TRP 35 1HB TRP 35 -3.645 6.352 10.770 281 HB3 TRP 35 2HB TRP 35 -3.021 5.046 9.751 282 HD1 TRP 35 HD1 TRP 35 -2.808 8.799 10.282 283 HE1 TRP 35 HE1 TRP 35 -0.948 9.759 8.785 284 HE3 TRP 35 HE3 TRP 35 -1.822 4.658 7.448 285 HZ2 TRP 35 HZ2 TRP 35 0.711 8.882 6.684 286 HZ3 TRP 35 HZ3 TRP 35 -0.088 4.803 5.719 287 HH2 TRP 35 HH2 TRP 35 1.158 6.865 5.340 288 H GLU 36 H GLU 36 -7.271 5.620 8.693 289 HA GLU 36 HA GLU 36 -7.261 3.019 10.059 290 HB2 GLU 36 1HB GLU 36 -9.437 5.093 9.851 291 HB3 GLU 36 2HB GLU 36 -9.713 3.454 10.424 292 HG2 GLU 36 1HG GLU 36 -7.846 5.459 11.656 293 HG3 GLU 36 2HG GLU 36 -9.449 5.042 12.256 294 H PHE 37 H PHE 37 -7.293 1.447 8.639 295 HA PHE 37 HA PHE 37 -8.913 1.778 6.200 296 HB2 PHE 37 1HB PHE 37 -6.481 0.002 6.554 297 HB3 PHE 37 2HB PHE 37 -7.346 0.306 5.051 298 HD1 PHE 37 HD1 PHE 37 -5.109 1.755 7.577 299 HD2 PHE 37 HD2 PHE 37 -6.945 2.294 3.773 300 HE1 PHE 37 HE1 PHE 37 -3.609 3.651 7.123 301 HE2 PHE 37 HE2 PHE 37 -5.456 4.195 3.321 302 HZ PHE 37 HZ PHE 37 -3.783 4.877 4.995 303 HA PRO 38 HA PRO 38 -11.128 -1.531 8.545 304 HB2 PRO 38 1HB PRO 38 -13.068 -0.767 6.423 305 HB3 PRO 38 2HB PRO 38 -13.332 -1.062 8.153 306 HG2 PRO 38 1HG PRO 38 -13.333 1.419 7.231 307 HG3 PRO 38 2HG PRO 38 -12.523 1.035 8.762 308 HD2 PRO 38 1HD PRO 38 -11.311 1.482 6.047 309 HD3 PRO 38 2HD PRO 38 -10.750 2.053 7.648 310 H GLU 39 H GLU 39 -11.333 -3.613 8.014 311 HA GLU 39 HA GLU 39 -10.227 -4.524 5.533 312 HB2 GLU 39 1HB GLU 39 -9.831 -5.630 7.721 313 HB3 GLU 39 2HB GLU 39 -11.521 -6.107 7.758 314 HG2 GLU 39 1HG GLU 39 -11.210 -7.487 5.803 315 HG3 GLU 39 2HG GLU 39 -9.540 -6.936 5.654 316 H ASP 40 H ASP 40 -11.741 -3.573 4.106 317 HA ASP 40 HA ASP 40 -14.182 -5.127 3.702 318 HB2 ASP 40 1HB ASP 40 -14.916 -3.246 5.077 319 HB3 ASP 40 2HB ASP 40 -14.141 -2.110 3.981 320 H ASP 41 H ASP 41 -14.969 -5.041 1.535 321 HA ASP 41 HA ASP 41 -13.046 -5.087 -0.444 322 HB2 ASP 41 1HB ASP 41 -15.270 -6.100 -0.703 323 HB3 ASP 41 2HB ASP 41 -15.994 -4.498 -0.818 324 H THR 42 H THR 42 -15.145 -2.397 0.470 325 HA THR 42 HA THR 42 -14.660 -0.618 -1.593 326 HB THR 42 HB THR 42 -14.918 0.160 1.302 327 HG1 THR 42 HG1 THR 42 -16.582 -1.238 1.022 328 HG21 THR 42 1HG2 THR 42 -16.186 2.057 0.345 329 HG22 THR 42 2HG2 THR 42 -15.781 1.471 -1.270 330 HG23 THR 42 3HG2 THR 42 -14.504 2.014 -0.181 331 H THR 43 H THR 43 -13.004 -0.719 1.544 332 HA THR 43 HA THR 43 -11.015 1.159 1.001 333 HB THR 43 HB THR 43 -10.827 -1.222 2.852 334 HG1 THR 43 HG1 THR 43 -11.547 0.548 4.378 335 HG21 THR 43 1HG2 THR 43 -9.361 0.323 4.168 336 HG22 THR 43 2HG2 THR 43 -9.400 1.437 2.800 337 HG23 THR 43 3HG2 THR 43 -8.685 -0.162 2.611 338 H MET 44 H MET 44 -11.195 -2.274 0.308 339 HA MET 44 HA MET 44 -8.448 -2.727 -0.101 340 HB2 MET 44 1HB MET 44 -10.836 -4.207 -1.200 341 HB3 MET 44 2HB MET 44 -9.180 -4.794 -1.264 342 HG2 MET 44 1HG MET 44 -9.084 -4.858 1.153 343 HG3 MET 44 2HG MET 44 -10.706 -4.184 1.254 344 HE1 MET 44 1HE MET 44 -11.428 -6.077 2.859 345 HE2 MET 44 2HE MET 44 -9.824 -6.810 2.784 346 HE3 MET 44 3HE MET 44 -11.260 -7.803 2.519 347 H CYS 45 H CYS 45 -11.069 -2.188 -2.470 348 HA CYS 45 HA CYS 45 -9.328 -2.150 -4.701 349 HB2 CYS 45 1HB CYS 45 -12.108 -1.002 -4.372 350 HB3 CYS 45 2HB CYS 45 -11.235 -1.034 -5.896 351 H TYR 46 H TYR 46 -10.338 0.309 -2.431 352 HA TYR 46 HA TYR 46 -9.493 2.565 -3.839 353 HB2 TYR 46 1HB TYR 46 -10.757 2.965 -1.900 354 HB3 TYR 46 2HB TYR 46 -9.716 1.952 -0.899 355 HD1 TYR 46 HD1 TYR 46 -9.594 5.074 -2.957 356 HD2 TYR 46 HD2 TYR 46 -8.149 2.997 0.471 357 HE1 TYR 46 HE1 TYR 46 -8.350 7.076 -2.269 358 HE2 TYR 46 HE2 TYR 46 -6.900 5.000 1.162 359 HH TYR 46 HH TYR 46 -6.038 7.040 0.311 360 H ILE 47 H ILE 47 -7.763 0.556 -1.482 361 HA ILE 47 HA ILE 47 -5.287 1.814 -1.604 362 HB ILE 47 HB ILE 47 -5.968 -1.066 -1.048 363 HG12 ILE 47 1HG1 ILE 47 -6.895 0.504 0.568 364 HG13 ILE 47 2HG1 ILE 47 -5.583 -0.406 1.312 365 HG21 ILE 47 1HG2 ILE 47 -3.673 -1.006 -1.780 366 HG22 ILE 47 2HG2 ILE 47 -3.718 -1.242 -0.032 367 HG23 ILE 47 3HG2 ILE 47 -3.327 0.343 -0.697 368 HD11 ILE 47 1HD1 ILE 47 -5.393 1.851 2.006 369 HD12 ILE 47 2HD1 ILE 47 -5.534 2.441 0.353 370 HD13 ILE 47 3HD1 ILE 47 -4.093 1.553 0.854 371 H LYS 48 H LYS 48 -6.630 -0.778 -3.579 372 HA LYS 48 HA LYS 48 -4.289 -1.425 -4.976 373 HB2 LYS 48 1HB LYS 48 -6.395 -2.793 -4.833 374 HB3 LYS 48 2HB LYS 48 -7.134 -1.678 -5.967 375 HG2 LYS 48 1HG LYS 48 -4.581 -3.024 -6.704 376 HG3 LYS 48 2HG LYS 48 -6.094 -3.923 -6.796 377 HD2 LYS 48 1HD LYS 48 -7.018 -2.167 -8.255 378 HD3 LYS 48 2HD LYS 48 -5.467 -1.328 -8.196 379 HE2 LYS 48 1HE LYS 48 -4.373 -3.221 -9.239 380 HE3 LYS 48 2HE LYS 48 -5.885 -4.127 -9.228 381 HZ1 LYS 48 1HZ LYS 48 -5.379 -1.614 -10.721 382 HZ2 LYS 48 2HZ LYS 48 -6.841 -2.472 -10.705 383 HZ3 LYS 48 3HZ LYS 48 -5.456 -3.171 -11.392 384 H CYS 49 H CYS 49 -6.962 0.773 -5.739 385 HA CYS 49 HA CYS 49 -6.080 1.570 -8.256 386 HB2 CYS 49 1HB CYS 49 -8.295 2.073 -7.642 387 HB3 CYS 49 2HB CYS 49 -7.793 2.996 -6.226 388 H VAL 50 H VAL 50 -5.409 3.085 -5.065 389 HA VAL 50 HA VAL 50 -3.878 5.178 -6.268 390 HB VAL 50 HB VAL 50 -3.589 6.124 -4.231 391 HG11 VAL 50 1HG1 VAL 50 -5.827 4.279 -3.493 392 HG12 VAL 50 2HG1 VAL 50 -5.979 5.694 -4.533 393 HG13 VAL 50 3HG1 VAL 50 -5.498 5.886 -2.847 394 HG21 VAL 50 1HG2 VAL 50 -3.543 3.430 -2.878 395 HG22 VAL 50 2HG2 VAL 50 -3.278 4.992 -2.106 396 HG23 VAL 50 3HG2 VAL 50 -2.127 4.397 -3.304 397 H PHE 51 H PHE 51 -3.181 1.975 -5.124 398 HA PHE 51 HA PHE 51 -0.365 2.266 -5.027 399 HB2 PHE 51 1HB PHE 51 -2.295 0.028 -4.973 400 HB3 PHE 51 2HB PHE 51 -0.702 -0.369 -5.590 401 HD1 PHE 51 HD1 PHE 51 -1.329 2.164 -2.989 402 HD2 PHE 51 HD2 PHE 51 -0.050 -1.806 -3.820 403 HE1 PHE 51 HE1 PHE 51 -0.510 1.953 -0.681 404 HE2 PHE 51 HE2 PHE 51 0.775 -2.026 -1.513 405 HZ PHE 51 HZ PHE 51 0.544 -0.144 0.059 406 H ASN 52 H ASN 52 -2.674 1.715 -7.558 407 HA ASN 52 HA ASN 52 -0.751 1.186 -9.633 408 HB2 ASN 52 1HB ASN 52 -3.678 1.836 -9.563 409 HB3 ASN 52 2HB ASN 52 -2.798 2.085 -11.072 410 HD21 ASN 52 1HD2 ASN 52 -1.007 -0.104 -10.828 411 HD22 ASN 52 2HD2 ASN 52 -1.931 -1.549 -11.020 412 H LYS 53 H LYS 53 -2.481 3.971 -8.407 413 HA LYS 53 HA LYS 53 -1.679 5.865 -10.313 414 HB2 LYS 53 1HB LYS 53 -2.687 6.007 -7.502 415 HB3 LYS 53 2HB LYS 53 -2.165 7.475 -8.312 416 HG2 LYS 53 1HG LYS 53 -4.254 5.614 -9.432 417 HG3 LYS 53 2HG LYS 53 -4.632 6.980 -8.384 418 HD2 LYS 53 1HD LYS 53 -3.611 8.505 -10.007 419 HD3 LYS 53 2HD LYS 53 -3.222 7.134 -11.050 420 HE2 LYS 53 1HE LYS 53 -5.527 6.677 -11.432 421 HE3 LYS 53 2HE LYS 53 -6.023 7.818 -10.182 422 HZ1 LYS 53 1HZ LYS 53 -5.176 9.624 -11.513 423 HZ2 LYS 53 2HZ LYS 53 -6.291 8.723 -12.417 424 HZ3 LYS 53 3HZ LYS 53 -4.633 8.546 -12.704 425 H MET 54 H MET 54 -0.138 4.657 -7.431 426 HA MET 54 HA MET 54 1.853 6.769 -7.448 427 HB2 MET 54 1HB MET 54 1.335 4.456 -5.586 428 HB3 MET 54 2HB MET 54 2.674 5.584 -5.387 429 HG2 MET 54 1HG MET 54 1.216 7.382 -4.979 430 HG3 MET 54 2HG MET 54 -0.186 6.474 -5.534 431 HE1 MET 54 1HE MET 54 2.755 5.584 -2.862 432 HE2 MET 54 2HE MET 54 1.873 6.198 -1.461 433 HE3 MET 54 3HE MET 54 2.273 7.278 -2.792 434 H GLN 55 H GLN 55 1.450 4.043 -9.137 435 HA GLN 55 HA GLN 55 2.724 2.593 -10.273 436 HB2 GLN 55 1HB GLN 55 4.540 4.911 -9.900 437 HB3 GLN 55 2HB GLN 55 5.217 3.428 -10.580 438 HG2 GLN 55 1HG GLN 55 3.503 3.499 -12.338 439 HG3 GLN 55 2HG GLN 55 2.887 4.997 -11.654 440 HE21 GLN 55 1HE2 GLN 55 4.046 6.894 -11.938 441 HE22 GLN 55 2HE2 GLN 55 5.352 7.028 -13.067 442 H LEU 56 H LEU 56 2.331 1.709 -7.823 443 HA LEU 56 HA LEU 56 4.944 0.799 -6.878 444 HB2 LEU 56 1HB LEU 56 2.765 2.147 -5.466 445 HB3 LEU 56 2HB LEU 56 3.360 0.708 -4.624 446 HG LEU 56 HG LEU 56 5.033 3.056 -5.525 447 HD11 LEU 56 1HD1 LEU 56 4.062 2.288 -2.777 448 HD12 LEU 56 2HD1 LEU 56 3.540 3.686 -3.708 449 HD13 LEU 56 3HD1 LEU 56 5.202 3.580 -3.134 450 HD21 LEU 56 1HD2 LEU 56 6.757 2.021 -4.093 451 HD22 LEU 56 2HD2 LEU 56 6.334 1.027 -5.484 452 HD23 LEU 56 3HD2 LEU 56 5.705 0.622 -3.886 453 H PHE 57 H PHE 57 1.884 -0.061 -7.985 454 HA PHE 57 HA PHE 57 2.397 -2.878 -7.375 455 HB2 PHE 57 1HB PHE 57 0.784 -2.140 -5.673 456 HB3 PHE 57 2HB PHE 57 -0.261 -1.481 -6.923 457 HD1 PHE 57 HD1 PHE 57 1.046 -4.586 -5.434 458 HD2 PHE 57 HD2 PHE 57 -1.780 -2.862 -8.112 459 HE1 PHE 57 HE1 PHE 57 -0.165 -6.722 -5.531 460 HE2 PHE 57 HE2 PHE 57 -2.988 -4.999 -8.218 461 HZ PHE 57 HZ PHE 57 -2.181 -6.930 -6.924 462 H ASP 58 H ASP 58 1.790 -4.244 -9.013 463 HA ASP 58 HA ASP 58 0.520 -3.012 -11.368 464 HB2 ASP 58 1HB ASP 58 2.859 -3.327 -11.890 465 HB3 ASP 58 2HB ASP 58 2.813 -4.983 -11.296 466 H ASP 59 H ASP 59 -0.837 -4.307 -12.591 467 HA ASP 59 HA ASP 59 -2.464 -6.073 -11.098 468 HB2 ASP 59 1HB ASP 59 -2.389 -5.633 -14.087 469 HB3 ASP 59 2HB ASP 59 -3.684 -6.402 -13.197 470 H THR 60 H THR 60 0.315 -6.582 -13.044 471 HA THR 60 HA THR 60 -0.201 -9.455 -13.209 472 HB THR 60 HB THR 60 1.753 -7.666 -14.633 473 HG1 THR 60 HG1 THR 60 -0.179 -7.579 -15.641 474 HG21 THR 60 1HG2 THR 60 2.492 -9.652 -15.874 475 HG22 THR 60 2HG2 THR 60 1.522 -10.669 -14.809 476 HG23 THR 60 3HG2 THR 60 2.887 -9.759 -14.159 477 H GLU 61 H GLU 61 2.672 -7.381 -12.644 478 HA GLU 61 HA GLU 61 4.143 -9.489 -11.439 479 HB2 GLU 61 1HB GLU 61 4.808 -6.590 -11.081 480 HB3 GLU 61 2HB GLU 61 5.886 -7.968 -11.194 481 HG2 GLU 61 1HG GLU 61 5.326 -8.219 -13.551 482 HG3 GLU 61 2HG GLU 61 4.260 -6.822 -13.441 483 H GLY 62 H GLY 62 1.738 -7.471 -10.142 484 HA2 GLY 62 1HA GLY 62 0.940 -7.378 -7.962 485 HA3 GLY 62 2HA GLY 62 2.259 -8.455 -7.485 486 HA PRO 63 HA PRO 63 3.369 -4.481 -5.464 487 HB2 PRO 63 1HB PRO 63 5.056 -6.370 -3.928 488 HB3 PRO 63 2HB PRO 63 3.930 -5.134 -3.349 489 HG2 PRO 63 1HG PRO 63 3.357 -7.755 -3.197 490 HG3 PRO 63 2HG PRO 63 2.110 -6.529 -3.488 491 HD2 PRO 63 1HD PRO 63 3.404 -8.422 -5.413 492 HD3 PRO 63 2HD PRO 63 1.719 -7.841 -5.354 493 H LEU 64 H LEU 64 4.847 -3.307 -6.469 494 HA LEU 64 HA LEU 64 7.072 -4.552 -7.843 495 HB2 LEU 64 1HB LEU 64 6.472 -1.604 -7.568 496 HB3 LEU 64 2HB LEU 64 7.518 -2.371 -8.745 497 HG LEU 64 HG LEU 64 4.538 -2.802 -8.617 498 HD11 LEU 64 1HD1 LEU 64 4.440 -1.417 -10.630 499 HD12 LEU 64 2HD1 LEU 64 6.165 -1.080 -10.483 500 HD13 LEU 64 3HD1 LEU 64 5.043 -0.503 -9.249 501 HD21 LEU 64 1HD2 LEU 64 6.565 -3.554 -10.709 502 HD22 LEU 64 2HD2 LEU 64 4.831 -3.881 -10.754 503 HD23 LEU 64 3HD2 LEU 64 5.847 -4.660 -9.538 504 H VAL 65 H VAL 65 8.355 -5.351 -6.283 505 HA VAL 65 HA VAL 65 8.960 -4.332 -3.820 506 HB VAL 65 HB VAL 65 10.671 -6.053 -5.587 507 HG11 VAL 65 1HG1 VAL 65 10.911 -5.558 -2.622 508 HG12 VAL 65 2HG1 VAL 65 12.046 -5.018 -3.861 509 HG13 VAL 65 3HG1 VAL 65 11.835 -6.741 -3.552 510 HG21 VAL 65 1HG2 VAL 65 8.549 -7.055 -5.131 511 HG22 VAL 65 2HG2 VAL 65 8.686 -6.672 -3.416 512 HG23 VAL 65 3HG2 VAL 65 9.765 -7.864 -4.145 513 H ASP 66 H ASP 66 10.743 -3.744 -6.844 514 HA ASP 66 HA ASP 66 12.909 -2.393 -5.683 515 HB2 ASP 66 1HB ASP 66 11.752 -2.408 -8.441 516 HB3 ASP 66 2HB ASP 66 13.043 -1.285 -8.030 517 H ASN 67 H ASN 67 9.978 -1.004 -7.188 518 HA ASN 67 HA ASN 67 10.582 1.660 -6.489 519 HB2 ASN 67 1HB ASN 67 7.987 0.292 -7.166 520 HB3 ASN 67 2HB ASN 67 8.071 2.002 -6.771 521 HD21 ASN 67 1HD2 ASN 67 7.314 2.539 -8.817 522 HD22 ASN 67 2HD2 ASN 67 8.328 2.448 -10.218 523 H LEU 68 H LEU 68 8.967 -0.942 -4.832 524 HA LEU 68 HA LEU 68 7.798 0.487 -2.734 525 HB2 LEU 68 1HB LEU 68 8.659 -2.345 -3.113 526 HB3 LEU 68 2HB LEU 68 8.163 -1.807 -1.519 527 HG LEU 68 HG LEU 68 6.425 -1.441 -3.945 528 HD11 LEU 68 1HD1 LEU 68 5.236 -3.456 -3.282 529 HD12 LEU 68 2HD1 LEU 68 6.404 -3.735 -1.989 530 HD13 LEU 68 3HD1 LEU 68 6.915 -3.826 -3.674 531 HD21 LEU 68 1HD2 LEU 68 4.656 -1.266 -2.279 532 HD22 LEU 68 2HD2 LEU 68 5.912 -0.059 -2.006 533 HD23 LEU 68 3HD2 LEU 68 5.841 -1.499 -0.993 534 H VAL 69 H VAL 69 10.964 -1.101 -2.930 535 HA VAL 69 HA VAL 69 11.854 -0.310 -0.359 536 HB VAL 69 HB VAL 69 13.437 -1.027 -2.822 537 HG11 VAL 69 1HG1 VAL 69 14.256 -0.763 0.061 538 HG12 VAL 69 2HG1 VAL 69 14.853 0.171 -1.312 539 HG13 VAL 69 3HG1 VAL 69 15.236 -1.546 -1.180 540 HG21 VAL 69 1HG2 VAL 69 13.600 -3.233 -1.827 541 HG22 VAL 69 2HG2 VAL 69 11.910 -2.785 -2.059 542 HG23 VAL 69 3HG2 VAL 69 12.633 -2.698 -0.452 543 H HIS 70 H HIS 70 12.223 1.094 -3.589 544 HA HIS 70 HA HIS 70 13.945 3.195 -2.923 545 HB2 HIS 70 1HB HIS 70 13.465 2.508 -5.229 546 HB3 HIS 70 2HB HIS 70 11.806 3.064 -5.059 547 HD1 HIS 70 HD1 HIS 70 12.061 4.725 -6.997 548 HD2 HIS 70 HD2 HIS 70 14.699 5.413 -3.856 549 HE1 HIS 70 HE1 HIS 70 13.021 7.010 -7.406 550 HE2 HIS 70 HE2 HIS 70 14.489 7.464 -5.413 551 H GLN 71 H GLN 71 10.499 2.850 -2.502 552 HA GLN 71 HA GLN 71 10.142 5.671 -1.852 553 HB2 GLN 71 1HB GLN 71 8.456 4.147 -3.118 554 HB3 GLN 71 2HB GLN 71 8.058 3.536 -1.514 555 HG2 GLN 71 1HG GLN 71 6.498 5.257 -2.106 556 HG3 GLN 71 2HG GLN 71 7.521 5.814 -0.783 557 HE21 GLN 71 1HE2 GLN 71 7.195 7.975 -1.203 558 HE22 GLN 71 2HE2 GLN 71 7.849 8.762 -2.588 559 H LEU 72 H LEU 72 9.529 2.560 -0.251 560 HA LEU 72 HA LEU 72 8.830 3.665 2.214 561 HB2 LEU 72 1HB LEU 72 9.778 0.904 1.494 562 HB3 LEU 72 2HB LEU 72 9.242 1.343 3.103 563 HG LEU 72 HG LEU 72 7.531 1.589 0.632 564 HD11 LEU 72 1HD1 LEU 72 7.552 -0.546 2.767 565 HD12 LEU 72 2HD1 LEU 72 8.063 -0.752 1.092 566 HD13 LEU 72 3HD1 LEU 72 6.372 -0.404 1.461 567 HD21 LEU 72 1HD2 LEU 72 5.705 1.726 2.332 568 HD22 LEU 72 2HD2 LEU 72 6.798 3.109 2.323 569 HD23 LEU 72 3HD2 LEU 72 6.949 1.874 3.575 570 H ALA 73 H ALA 73 11.956 2.372 1.106 571 HA ALA 73 HA ALA 73 13.235 2.699 3.629 572 HB1 ALA 73 1HB ALA 73 14.504 2.443 0.918 573 HB2 ALA 73 2HB ALA 73 13.939 1.091 1.899 574 HB3 ALA 73 3HB ALA 73 15.254 2.117 2.482 575 H HIS 74 H HIS 74 11.911 5.094 2.728 576 HA HIS 74 HA HIS 74 13.848 7.006 1.852 577 HB2 HIS 74 1HB HIS 74 11.391 7.259 1.475 578 HB3 HIS 74 2HB HIS 74 11.175 7.458 3.211 579 HD1 HIS 74 HD1 HIS 74 11.026 9.799 3.939 580 HD2 HIS 74 HD2 HIS 74 13.196 9.421 0.407 581 HE1 HIS 74 HE1 HIS 74 11.607 12.147 3.242 582 HE2 HIS 74 HE2 HIS 74 12.795 11.896 1.035 583 H GLY 75 H GLY 75 15.586 6.795 3.273 584 HA2 GLY 75 1HA GLY 75 16.680 7.979 5.032 585 HA3 GLY 75 2HA GLY 75 15.146 8.065 5.883 586 H ARG 76 H ARG 76 16.008 5.047 4.445 587 HA ARG 76 HA ARG 76 17.149 4.027 6.920 588 HB2 ARG 76 1HB ARG 76 14.400 3.482 6.059 589 HB3 ARG 76 2HB ARG 76 15.335 2.042 6.426 590 HG2 ARG 76 1HG ARG 76 15.939 3.209 8.614 591 HG3 ARG 76 2HG ARG 76 14.614 4.314 8.242 592 HD2 ARG 76 1HD ARG 76 13.928 2.440 9.700 593 HD3 ARG 76 2HD ARG 76 13.053 2.481 8.174 594 HE ARG 76 HE ARG 76 15.386 0.751 8.275 595 HH11 ARG 76 1HH1 ARG 76 11.906 0.997 8.611 596 HH12 ARG 76 2HH1 ARG 76 11.626 -0.676 8.229 597 HH21 ARG 76 1HH2 ARG 76 15.001 -1.464 7.783 598 HH22 ARG 76 2HH2 ARG 76 13.360 -2.063 7.748 599 H ASP 77 H ASP 77 17.679 1.693 6.735 600 HA ASP 77 HA ASP 77 19.281 1.186 4.480 601 HB2 ASP 77 1HB ASP 77 18.335 -0.620 6.705 602 HB3 ASP 77 2HB ASP 77 19.535 -1.084 5.508 603 H ALA 78 H ALA 78 18.571 0.767 2.564 604 HA ALA 78 HA ALA 78 15.954 0.027 1.903 605 HB1 ALA 78 1HB ALA 78 18.456 -0.117 0.244 606 HB2 ALA 78 2HB ALA 78 17.407 1.290 0.432 607 HB3 ALA 78 3HB ALA 78 16.804 -0.159 -0.370 608 H GLU 79 H GLU 79 18.883 -1.913 2.238 609 HA GLU 79 HA GLU 79 17.867 -4.187 0.876 610 HB2 GLU 79 1HB GLU 79 20.113 -3.973 2.876 611 HB3 GLU 79 2HB GLU 79 19.788 -5.380 1.873 612 HG2 GLU 79 1HG GLU 79 20.117 -3.971 -0.131 613 HG3 GLU 79 2HG GLU 79 20.570 -2.633 0.919 614 H GLU 80 H GLU 80 17.860 -3.154 4.217 615 HA GLU 80 HA GLU 80 16.685 -5.516 5.278 616 HB2 GLU 80 1HB GLU 80 16.971 -2.693 6.244 617 HB3 GLU 80 2HB GLU 80 15.986 -3.847 7.132 618 HG2 GLU 80 1HG GLU 80 18.286 -3.640 7.998 619 HG3 GLU 80 2HG GLU 80 17.864 -5.268 7.503 620 H VAL 81 H VAL 81 15.395 -2.384 4.237 621 HA VAL 81 HA VAL 81 12.692 -2.792 4.692 622 HB VAL 81 HB VAL 81 14.057 -1.227 2.507 623 HG11 VAL 81 1HG1 VAL 81 11.778 -1.677 1.799 624 HG12 VAL 81 2HG1 VAL 81 11.934 0.012 2.292 625 HG13 VAL 81 3HG1 VAL 81 11.169 -1.158 3.371 626 HG21 VAL 81 1HG2 VAL 81 13.478 0.669 3.985 627 HG22 VAL 81 2HG2 VAL 81 14.628 -0.468 4.682 628 HG23 VAL 81 3HG2 VAL 81 12.939 -0.497 5.193 629 H ARG 82 H ARG 82 14.590 -3.587 1.790 630 HA ARG 82 HA ARG 82 12.663 -4.668 0.150 631 HB2 ARG 82 1HB ARG 82 15.041 -4.318 -0.427 632 HB3 ARG 82 2HB ARG 82 15.468 -5.706 0.560 633 HG2 ARG 82 1HG ARG 82 14.119 -7.140 -0.894 634 HG3 ARG 82 2HG ARG 82 13.747 -5.739 -1.900 635 HD2 ARG 82 1HD ARG 82 16.128 -5.430 -2.340 636 HD3 ARG 82 2HD ARG 82 16.496 -6.836 -1.350 637 HE ARG 82 HE ARG 82 14.838 -7.874 -3.180 638 HH11 ARG 82 1HH1 ARG 82 17.647 -5.813 -3.473 639 HH12 ARG 82 2HH1 ARG 82 18.112 -6.440 -5.024 640 HH21 ARG 82 1HH2 ARG 82 15.440 -8.709 -5.227 641 HH22 ARG 82 2HH2 ARG 82 16.849 -8.089 -6.025 642 H THR 83 H THR 83 14.413 -6.224 2.788 643 HA THR 83 HA THR 83 13.386 -8.819 2.385 644 HB THR 83 HB THR 83 14.682 -7.422 4.704 645 HG1 THR 83 HG1 THR 83 15.925 -8.110 2.864 646 HG21 THR 83 1HG2 THR 83 13.779 -10.305 4.657 647 HG22 THR 83 2HG2 THR 83 13.123 -9.031 5.688 648 HG23 THR 83 3HG2 THR 83 14.794 -9.561 5.893 649 H GLU 84 H GLU 84 12.478 -6.254 4.693 650 HA GLU 84 HA GLU 84 10.333 -7.523 5.915 651 HB2 GLU 84 1HB GLU 84 10.531 -4.564 5.326 652 HB3 GLU 84 2HB GLU 84 9.613 -5.325 6.619 653 HG2 GLU 84 1HG GLU 84 11.754 -6.162 7.554 654 HG3 GLU 84 2HG GLU 84 12.603 -5.208 6.343 655 H VAL 85 H VAL 85 10.344 -5.489 2.985 656 HA VAL 85 HA VAL 85 7.612 -5.515 2.437 657 HB VAL 85 HB VAL 85 10.016 -5.352 0.629 658 HG11 VAL 85 1HG1 VAL 85 7.117 -5.088 -0.165 659 HG12 VAL 85 2HG1 VAL 85 8.227 -6.360 -0.677 660 HG13 VAL 85 3HG1 VAL 85 8.500 -4.693 -1.189 661 HG21 VAL 85 1HG2 VAL 85 9.312 -3.020 0.410 662 HG22 VAL 85 2HG2 VAL 85 9.615 -3.460 2.092 663 HG23 VAL 85 3HG2 VAL 85 7.957 -3.332 1.498 664 H LEU 86 H LEU 86 10.143 -7.775 1.350 665 HA LEU 86 HA LEU 86 8.555 -9.390 -0.266 666 HB2 LEU 86 1HB LEU 86 11.058 -10.006 1.294 667 HB3 LEU 86 2HB LEU 86 10.317 -11.143 0.171 668 HG LEU 86 HG LEU 86 11.185 -8.387 -0.660 669 HD11 LEU 86 1HD1 LEU 86 12.748 -10.954 -0.874 670 HD12 LEU 86 2HD1 LEU 86 13.095 -9.647 0.258 671 HD13 LEU 86 3HD1 LEU 86 13.233 -9.369 -1.480 672 HD21 LEU 86 1HD2 LEU 86 9.599 -9.444 -2.136 673 HD22 LEU 86 2HD2 LEU 86 10.559 -10.922 -2.161 674 HD23 LEU 86 3HD2 LEU 86 11.192 -9.444 -2.891 675 H LYS 87 H LYS 87 8.919 -9.346 3.199 676 HA LYS 87 HA LYS 87 7.734 -11.924 3.645 677 HB2 LYS 87 1HB LYS 87 8.285 -9.582 5.467 678 HB3 LYS 87 2HB LYS 87 7.548 -11.080 6.025 679 HG2 LYS 87 1HG LYS 87 9.513 -12.328 5.351 680 HG3 LYS 87 2HG LYS 87 10.256 -10.846 4.725 681 HD2 LYS 87 1HD LYS 87 10.258 -9.896 6.969 682 HD3 LYS 87 2HD LYS 87 9.476 -11.349 7.598 683 HE2 LYS 87 1HE LYS 87 12.205 -11.189 6.326 684 HE3 LYS 87 2HE LYS 87 11.862 -11.409 8.040 685 HZ1 LYS 87 1HZ LYS 87 12.401 -13.504 7.016 686 HZ2 LYS 87 2HZ LYS 87 11.182 -13.309 5.862 687 HZ3 LYS 87 3HZ LYS 87 10.779 -13.516 7.491 688 H CYS 88 H CYS 88 6.520 -8.977 2.690 689 HA CYS 88 HA CYS 88 3.843 -9.629 3.699 690 HB2 CYS 88 1HB CYS 88 5.177 -7.034 3.043 691 HB3 CYS 88 2HB CYS 88 3.407 -7.157 2.969 692 H VAL 89 H VAL 89 5.810 -9.553 0.952 693 HA VAL 89 HA VAL 89 3.827 -9.197 -1.046 694 HB VAL 89 HB VAL 89 6.496 -10.607 -1.146 695 HG11 VAL 89 1HG1 VAL 89 4.635 -9.839 -3.389 696 HG12 VAL 89 2HG1 VAL 89 5.045 -11.480 -2.886 697 HG13 VAL 89 3HG1 VAL 89 6.281 -10.440 -3.595 698 HG21 VAL 89 1HG2 VAL 89 5.619 -7.865 -2.039 699 HG22 VAL 89 2HG2 VAL 89 7.200 -8.578 -2.369 700 HG23 VAL 89 3HG2 VAL 89 6.713 -8.245 -0.707 701 H ASP 90 H ASP 90 2.097 -10.425 -1.061 702 HA ASP 90 HA ASP 90 2.360 -13.292 -0.481 703 HB2 ASP 90 1HB ASP 90 0.915 -11.699 0.991 704 HB3 ASP 90 2HB ASP 90 -0.227 -11.766 -0.353 705 H LYS 91 H LYS 91 0.324 -14.467 -1.557 706 HA LYS 91 HA LYS 91 0.651 -13.872 -4.398 707 HB2 LYS 91 1HB LYS 91 1.377 -15.995 -4.261 708 HB3 LYS 91 2HB LYS 91 0.444 -16.377 -2.838 709 HG2 LYS 91 1HG LYS 91 -1.549 -16.620 -4.289 710 HG3 LYS 91 2HG LYS 91 -0.526 -16.298 -5.689 711 HD2 LYS 91 1HD LYS 91 0.876 -18.252 -5.021 712 HD3 LYS 91 2HD LYS 91 -0.311 -18.610 -3.767 713 HE2 LYS 91 1HE LYS 91 -0.741 -19.987 -5.700 714 HE3 LYS 91 2HE LYS 91 -2.043 -18.818 -5.509 715 HZ1 LYS 91 1HZ LYS 91 -1.297 -19.055 -7.821 716 HZ2 LYS 91 2HZ LYS 91 0.239 -18.506 -7.383 717 HZ3 LYS 91 3HZ LYS 91 -1.096 -17.479 -7.246 718 H ASN 92 H ASN 92 -1.160 -14.026 -5.832 719 HA ASN 92 HA ASN 92 -3.557 -12.885 -4.742 720 HB2 ASN 92 1HB ASN 92 -2.603 -12.271 -6.971 721 HB3 ASN 92 2HB ASN 92 -3.035 -13.871 -7.548 722 HD21 ASN 92 1HD2 ASN 92 -4.267 -12.816 -9.151 723 HD22 ASN 92 2HD2 ASN 92 -5.850 -12.209 -8.800 724 H THR 93 H THR 93 -3.854 -14.800 -3.297 725 HA THR 93 HA THR 93 -4.921 -17.206 -4.471 726 HB THR 93 HB THR 93 -5.405 -17.820 -2.101 727 HG1 THR 93 HG1 THR 93 -5.226 -16.361 -0.560 728 HG21 THR 93 1HG2 THR 93 -3.267 -18.385 -3.127 729 HG22 THR 93 2HG2 THR 93 -3.078 -18.018 -1.414 730 HG23 THR 93 3HG2 THR 93 -2.613 -16.827 -2.627 731 H ASP 94 H ASP 94 -6.186 -14.170 -3.490 732 HA ASP 94 HA ASP 94 -8.873 -15.176 -3.056 733 HB2 ASP 94 1HB ASP 94 -7.989 -13.296 -1.693 734 HB3 ASP 94 2HB ASP 94 -7.900 -12.308 -3.155 735 H ASN 95 H ASN 95 -6.991 -14.350 -5.652 736 HA ASN 95 HA ASN 95 -7.335 -14.070 -7.861 737 HB2 ASN 95 1HB ASN 95 -8.876 -16.052 -7.283 738 HB3 ASN 95 2HB ASN 95 -10.191 -14.910 -7.460 739 HD21 ASN 95 1HD2 ASN 95 -9.053 -13.431 -9.663 740 HD22 ASN 95 2HD2 ASN 95 -9.092 -14.488 -11.044 741 H ASN 96 H ASN 96 -7.610 -11.846 -6.204 742 HA ASN 96 HA ASN 96 -9.266 -10.115 -7.832 743 HB2 ASN 96 1HB ASN 96 -10.922 -10.724 -6.255 744 HB3 ASN 96 2HB ASN 96 -9.782 -10.678 -4.916 745 HD21 ASN 96 1HD2 ASN 96 -11.076 -9.346 -3.730 746 HD22 ASN 96 2HD2 ASN 96 -11.306 -7.670 -4.103 747 H ALA 97 H ALA 97 -8.097 -8.373 -8.240 748 HA ALA 97 HA ALA 97 -5.528 -8.024 -7.153 749 HB1 ALA 97 1HB ALA 97 -6.185 -7.353 -9.435 750 HB2 ALA 97 2HB ALA 97 -5.368 -6.069 -8.544 751 HB3 ALA 97 3HB ALA 97 -7.118 -6.025 -8.748 752 H CYS 98 H CYS 98 -8.614 -6.499 -6.391 753 HA CYS 98 HA CYS 98 -7.644 -4.370 -4.827 754 HB2 CYS 98 1HB CYS 98 -10.199 -5.937 -4.425 755 HB3 CYS 98 2HB CYS 98 -9.837 -4.358 -3.742 756 H HIS 99 H HIS 99 -8.259 -7.750 -4.040 757 HA HIS 99 HA HIS 99 -7.756 -7.309 -1.225 758 HB2 HIS 99 1HB HIS 99 -9.375 -9.031 -2.290 759 HB3 HIS 99 2HB HIS 99 -7.931 -10.002 -2.555 760 HD1 HIS 99 HD1 HIS 99 -10.563 -9.613 -0.228 761 HD2 HIS 99 HD2 HIS 99 -6.482 -10.324 0.117 762 HE1 HIS 99 HE1 HIS 99 -10.242 -10.604 2.058 763 HE2 HIS 99 HE2 HIS 99 -7.749 -10.869 2.305 764 H TRP 100 H TRP 100 -6.035 -8.355 -4.046 765 HA TRP 100 HA TRP 100 -3.870 -9.654 -2.779 766 HB2 TRP 100 1HB TRP 100 -4.439 -9.870 -5.201 767 HB3 TRP 100 2HB TRP 100 -3.865 -8.222 -5.454 768 HD1 TRP 100 HD1 TRP 100 -1.592 -9.872 -3.070 769 HE1 TRP 100 HE1 TRP 100 0.523 -10.721 -4.259 770 HE3 TRP 100 HE3 TRP 100 -3.165 -9.453 -7.925 771 HZ2 TRP 100 HZ2 TRP 100 1.407 -11.158 -6.904 772 HZ3 TRP 100 HZ3 TRP 100 -1.620 -10.105 -9.722 773 HH2 TRP 100 HH2 TRP 100 0.618 -10.941 -9.225 774 H ALA 101 H ALA 101 -4.194 -6.357 -4.087 775 HA ALA 101 HA ALA 101 -1.675 -5.449 -3.173 776 HB1 ALA 101 1HB ALA 101 -4.150 -3.870 -3.856 777 HB2 ALA 101 2HB ALA 101 -2.877 -4.342 -4.979 778 HB3 ALA 101 3HB ALA 101 -2.528 -3.207 -3.673 779 H PHE 102 H PHE 102 -4.901 -5.439 -1.788 780 HA PHE 102 HA PHE 102 -4.341 -3.721 0.362 781 HB2 PHE 102 1HB PHE 102 -6.612 -4.188 -0.397 782 HB3 PHE 102 2HB PHE 102 -6.470 -5.851 0.157 783 HD1 PHE 102 HD1 PHE 102 -6.250 -2.345 1.370 784 HD2 PHE 102 HD2 PHE 102 -7.191 -6.390 2.308 785 HE1 PHE 102 HE1 PHE 102 -7.070 -1.639 3.578 786 HE2 PHE 102 HE2 PHE 102 -8.014 -5.689 4.516 787 HZ PHE 102 HZ PHE 102 -7.952 -3.309 5.156 788 H ARG 103 H ARG 103 -3.995 -7.187 -0.086 789 HA ARG 103 HA ARG 103 -3.594 -7.869 2.637 790 HB2 ARG 103 1HB ARG 103 -4.157 -9.523 0.866 791 HB3 ARG 103 2HB ARG 103 -2.556 -9.280 0.180 792 HG2 ARG 103 1HG ARG 103 -1.518 -10.123 2.191 793 HG3 ARG 103 2HG ARG 103 -3.095 -10.290 2.954 794 HD2 ARG 103 1HD ARG 103 -2.303 -11.741 0.430 795 HD3 ARG 103 2HD ARG 103 -2.110 -12.416 2.043 796 HE ARG 103 HE ARG 103 -4.717 -11.763 2.001 797 HH11 ARG 103 1HH1 ARG 103 -2.673 -13.550 -0.214 798 HH12 ARG 103 2HH1 ARG 103 -3.953 -14.602 -0.741 799 HH21 ARG 103 1HH2 ARG 103 -6.400 -13.169 1.332 800 HH22 ARG 103 2HH2 ARG 103 -6.070 -14.390 0.142 801 H GLY 104 H GLY 104 -1.431 -6.936 0.016 802 HA2 GLY 104 1HA GLY 104 1.011 -7.305 1.418 803 HA3 GLY 104 2HA GLY 104 0.769 -6.264 0.010 804 H PHE 105 H PHE 105 -1.048 -4.458 0.933 805 HA PHE 105 HA PHE 105 0.572 -2.635 2.308 806 HB2 PHE 105 1HB PHE 105 -1.080 -1.767 0.850 807 HB3 PHE 105 2HB PHE 105 -2.359 -2.660 1.657 808 HD1 PHE 105 HD1 PHE 105 0.329 -0.339 2.789 809 HD2 PHE 105 HD2 PHE 105 -3.837 -1.223 2.710 810 HE1 PHE 105 HE1 PHE 105 -0.124 1.649 4.165 811 HE2 PHE 105 HE2 PHE 105 -4.286 0.756 4.091 812 HZ PHE 105 HZ PHE 105 -2.427 2.195 4.824 813 H LYS 106 H LYS 106 -2.187 -4.569 3.355 814 HA LYS 106 HA LYS 106 -2.402 -3.484 5.929 815 HB2 LYS 106 1HB LYS 106 -4.313 -4.556 5.282 816 HB3 LYS 106 2HB LYS 106 -3.460 -5.918 4.560 817 HG2 LYS 106 1HG LYS 106 -2.977 -6.749 6.832 818 HG3 LYS 106 2HG LYS 106 -3.891 -5.388 7.493 819 HD2 LYS 106 1HD LYS 106 -5.906 -6.156 6.441 820 HD3 LYS 106 2HD LYS 106 -5.028 -7.416 5.575 821 HE2 LYS 106 1HE LYS 106 -5.279 -7.235 8.571 822 HE3 LYS 106 2HE LYS 106 -6.272 -8.264 7.540 823 HZ1 LYS 106 1HZ LYS 106 -4.230 -9.379 6.812 824 HZ2 LYS 106 2HZ LYS 106 -4.475 -9.529 8.476 825 HZ3 LYS 106 3HZ LYS 106 -3.329 -8.439 7.887 826 H CYS 107 H CYS 107 -0.633 -6.291 4.709 827 HA CYS 107 HA CYS 107 0.287 -7.270 7.162 828 HB2 CYS 107 1HB CYS 107 0.510 -8.680 5.282 829 HB3 CYS 107 2HB CYS 107 1.360 -7.458 4.346 830 H PHE 108 H PHE 108 1.592 -4.832 4.963 831 HA PHE 108 HA PHE 108 4.089 -4.668 6.332 832 HB2 PHE 108 1HB PHE 108 3.637 -4.187 3.869 833 HB3 PHE 108 2HB PHE 108 3.036 -2.619 4.411 834 HD1 PHE 108 HD1 PHE 108 4.558 -0.925 5.196 835 HD2 PHE 108 HD2 PHE 108 5.975 -4.792 4.114 836 HE1 PHE 108 HE1 PHE 108 6.869 -0.085 5.221 837 HE2 PHE 108 HE2 PHE 108 8.283 -3.956 4.141 838 HZ PHE 108 HZ PHE 108 8.732 -1.602 4.691 839 H GLN 109 H GLN 109 1.158 -2.639 6.242 840 HA GLN 109 HA GLN 109 2.229 -0.686 8.017 841 HB2 GLN 109 1HB GLN 109 -0.076 0.135 8.208 842 HB3 GLN 109 2HB GLN 109 0.420 -0.092 6.539 843 HG2 GLN 109 1HG GLN 109 -1.316 -1.390 6.168 844 HG3 GLN 109 2HG GLN 109 -0.838 -2.476 7.478 845 HE21 GLN 109 1HE2 GLN 109 -1.866 -2.335 9.436 846 HE22 GLN 109 2HE2 GLN 109 -3.262 -1.352 9.703 847 H LYS 110 H LYS 110 1.295 -3.821 8.536 848 HA LYS 110 HA LYS 110 0.306 -3.465 11.229 849 HB2 LYS 110 1HB LYS 110 -0.447 -5.262 9.619 850 HB3 LYS 110 2HB LYS 110 1.134 -5.994 9.817 851 HG2 LYS 110 1HG LYS 110 0.718 -6.300 12.186 852 HG3 LYS 110 2HG LYS 110 -0.875 -5.569 12.007 853 HD2 LYS 110 1HD LYS 110 -1.459 -7.354 10.391 854 HD3 LYS 110 2HD LYS 110 0.105 -8.105 10.700 855 HE2 LYS 110 1HE LYS 110 -1.575 -9.222 12.008 856 HE3 LYS 110 2HE LYS 110 -0.514 -8.316 13.085 857 HZ1 LYS 110 1HZ LYS 110 -3.200 -7.446 12.163 858 HZ2 LYS 110 2HZ LYS 110 -2.185 -6.571 13.192 859 HZ3 LYS 110 3HZ LYS 110 -2.828 -8.049 13.699 860 H ASN 111 H ASN 111 3.314 -3.815 9.633 861 HA ASN 111 HA ASN 111 4.672 -4.367 12.195 862 HB2 ASN 111 1HB ASN 111 5.990 -6.026 11.293 863 HB3 ASN 111 2HB ASN 111 4.479 -6.288 10.455 864 HD21 ASN 111 1HD2 ASN 111 4.282 -5.833 8.282 865 HD22 ASN 111 2HD2 ASN 111 5.664 -5.583 7.273 866 H ASN 112 H ASN 112 4.498 -2.435 9.379 867 HA ASN 112 HA ASN 112 6.649 -0.766 10.428 868 HB2 ASN 112 1HB ASN 112 6.707 -2.090 7.758 869 HB3 ASN 112 2HB ASN 112 7.254 -0.420 7.868 870 HD21 ASN 112 1HD2 ASN 112 7.978 -3.694 8.544 871 HD22 ASN 112 2HD2 ASN 112 9.582 -3.434 9.150 872 H LEU 113 H LEU 113 4.446 0.274 10.947 873 HA LEU 113 HA LEU 113 3.189 1.550 8.672 874 HB2 LEU 113 1HB LEU 113 1.720 0.880 10.418 875 HB3 LEU 113 2HB LEU 113 2.658 1.732 11.629 876 HG LEU 113 HG LEU 113 2.016 3.873 10.512 877 HD11 LEU 113 1HD1 LEU 113 0.224 3.875 8.893 878 HD12 LEU 113 2HD1 LEU 113 0.144 2.115 8.944 879 HD13 LEU 113 3HD1 LEU 113 1.575 2.912 8.289 880 HD21 LEU 113 1HD2 LEU 113 0.820 3.101 12.469 881 HD22 LEU 113 2HD2 LEU 113 -0.219 2.094 11.464 882 HD23 LEU 113 3HD2 LEU 113 -0.305 3.851 11.336 883 H SER 114 H SER 114 5.339 2.407 11.293 884 HA SER 114 HA SER 114 5.296 5.204 10.975 885 HB2 SER 114 1HB SER 114 7.685 3.580 11.864 886 HB3 SER 114 2HB SER 114 7.241 5.215 12.352 887 HG SER 114 HG SER 114 6.048 4.391 13.860 888 H LEU 115 H LEU 115 7.131 2.655 9.410 889 HA LEU 115 HA LEU 115 8.902 4.298 7.962 890 HB2 LEU 115 1HB LEU 115 9.212 1.880 8.327 891 HB3 LEU 115 2HB LEU 115 7.854 1.556 7.267 892 HG LEU 115 HG LEU 115 9.105 2.611 5.402 893 HD11 LEU 115 1HD1 LEU 115 11.232 2.813 7.506 894 HD12 LEU 115 2HD1 LEU 115 10.528 4.116 6.551 895 HD13 LEU 115 3HD1 LEU 115 11.567 2.917 5.779 896 HD21 LEU 115 1HD2 LEU 115 9.160 0.183 5.762 897 HD22 LEU 115 2HD2 LEU 115 10.589 0.374 6.778 898 HD23 LEU 115 3HD2 LEU 115 10.662 0.784 5.063 899 H ILE 116 H ILE 116 5.646 3.140 7.363 900 HA ILE 116 HA ILE 116 5.486 3.904 4.647 901 HB ILE 116 HB ILE 116 3.268 3.595 6.687 902 HG12 ILE 116 1HG1 ILE 116 4.358 1.687 4.600 903 HG13 ILE 116 2HG1 ILE 116 4.556 1.541 6.353 904 HG21 ILE 116 1HG2 ILE 116 2.519 4.953 4.828 905 HG22 ILE 116 2HG2 ILE 116 1.797 3.345 4.726 906 HG23 ILE 116 3HG2 ILE 116 3.150 3.772 3.679 907 HD11 ILE 116 1HD1 ILE 116 2.049 1.252 4.734 908 HD12 ILE 116 2HD1 ILE 116 2.044 1.415 6.491 909 HD13 ILE 116 3HD1 ILE 116 2.852 0.042 5.731 910 H LYS 117 H LYS 117 4.665 5.520 7.672 911 HA LYS 117 HA LYS 117 3.607 7.872 6.546 912 HB2 LYS 117 1HB LYS 117 4.897 7.331 9.216 913 HB3 LYS 117 2HB LYS 117 4.175 8.878 8.796 914 HG2 LYS 117 1HG LYS 117 2.014 7.801 8.487 915 HG3 LYS 117 2HG LYS 117 2.722 6.232 8.861 916 HD2 LYS 117 1HD LYS 117 3.280 7.011 11.108 917 HD3 LYS 117 2HD LYS 117 2.615 8.599 10.736 918 HE2 LYS 117 1HE LYS 117 0.406 7.656 10.473 919 HE3 LYS 117 2HE LYS 117 1.042 6.028 10.690 920 HZ1 LYS 117 1HZ LYS 117 0.006 6.879 12.707 921 HZ2 LYS 117 2HZ LYS 117 1.090 8.175 12.741 922 HZ3 LYS 117 3HZ LYS 117 1.655 6.593 12.949 923 H ALA 118 H ALA 118 6.873 6.922 7.483 924 HA ALA 118 HA ALA 118 8.012 9.506 7.028 925 HB1 ALA 118 1HB ALA 118 10.136 8.398 7.430 926 HB2 ALA 118 2HB ALA 118 9.340 6.826 7.340 927 HB3 ALA 118 3HB ALA 118 8.939 7.945 8.642 928 H SER 119 H SER 119 7.281 6.830 4.972 929 HA SER 119 HA SER 119 9.287 7.314 3.025 930 HB2 SER 119 1HB SER 119 8.094 5.769 1.613 931 HB3 SER 119 2HB SER 119 8.059 5.150 3.262 932 HG SER 119 HG SER 119 5.933 5.917 3.453 933 H ILE 120 H ILE 120 6.036 8.514 3.522 934 HA ILE 120 HA ILE 120 6.147 10.004 1.010 935 HB ILE 120 HB ILE 120 3.800 10.620 1.499 936 HG12 ILE 120 1HG1 ILE 120 4.008 8.704 3.825 937 HG13 ILE 120 2HG1 ILE 120 4.054 10.457 4.001 938 HG21 ILE 120 1HG2 ILE 120 4.254 8.666 0.151 939 HG22 ILE 120 2HG2 ILE 120 2.851 8.367 1.179 940 HG23 ILE 120 3HG2 ILE 120 4.417 7.675 1.600 941 HD11 ILE 120 1HD1 ILE 120 1.823 10.611 3.041 942 HD12 ILE 120 2HD1 ILE 120 1.846 9.579 4.472 943 HD13 ILE 120 3HD1 ILE 120 1.778 8.858 2.863 944 H LYS 121 H LYS 121 6.943 10.430 4.230 945 HA LYS 121 HA LYS 121 6.215 13.241 4.351 946 HB2 LYS 121 1HB LYS 121 6.067 11.489 6.268 947 HB3 LYS 121 2HB LYS 121 7.792 11.778 6.435 948 HG2 LYS 121 1HG LYS 121 6.588 13.163 7.995 949 HG3 LYS 121 2HG LYS 121 7.310 14.188 6.751 950 HD2 LYS 121 1HD LYS 121 5.209 14.418 5.628 951 HD3 LYS 121 2HD LYS 121 4.460 13.212 6.673 952 HE2 LYS 121 1HE LYS 121 5.588 15.823 7.661 953 HE3 LYS 121 2HE LYS 121 3.900 15.596 7.216 954 HZ1 LYS 121 1HZ LYS 121 3.669 13.951 8.935 955 HZ2 LYS 121 2HZ LYS 121 4.301 15.365 9.612 956 HZ3 LYS 121 3HZ LYS 121 5.312 14.046 9.315 957 H LYS 122 H LYS 122 7.583 14.824 3.829 958 HA LYS 122 HA LYS 122 10.429 14.147 3.579 959 HB2 LYS 122 1HB LYS 122 10.535 16.018 1.929 960 HB3 LYS 122 2HB LYS 122 9.595 14.650 1.404 961 HG2 LYS 122 1HG LYS 122 7.531 15.881 2.072 962 HG3 LYS 122 2HG LYS 122 8.543 17.284 2.418 963 HD2 LYS 122 1HD LYS 122 9.320 17.280 0.088 964 HD3 LYS 122 2HD LYS 122 8.273 15.902 -0.250 965 HE2 LYS 122 1HE LYS 122 7.161 17.880 -1.005 966 HE3 LYS 122 2HE LYS 122 6.326 17.301 0.435 967 HZ1 LYS 122 1HZ LYS 122 7.548 18.959 1.732 968 HZ2 LYS 122 2HZ LYS 122 6.606 19.679 0.527 969 HZ3 LYS 122 3HZ LYS 122 8.278 19.534 0.319 970 H ASP 123 H ASP 123 10.387 14.578 5.889 971 HA ASP 123 HA ASP 123 9.831 17.211 6.865 972 HB2 ASP 123 1HB ASP 123 9.538 15.222 8.286 973 HB3 ASP 123 2HB ASP 123 11.275 14.931 8.226 974 H21 ACD 201 H21 ACD 1 -4.673 4.776 1.295 975 H22 ACD 201 H22 ACD 1 -3.580 4.762 2.684 976 H31 ACD 201 H31 ACD 1 -2.076 6.355 1.400 977 H32 ACD 201 H32 ACD 1 -3.111 6.122 -0.007 978 H41 ACD 201 H41 ACD 1 -2.655 3.635 0.145 979 H42 ACD 201 H42 ACD 1 -1.212 4.604 -0.193 980 H5 ACD 201 H5 ACD 1 -1.832 3.109 2.403 981 H6 ACD 201 H6 ACD 1 0.389 3.794 2.960 982 H71 ACD 201 H71 ACD 1 0.811 4.844 0.271 983 H72 ACD 201 H72 ACD 1 -0.070 6.106 1.131 984 H8 ACD 201 H8 ACD 1 1.835 6.398 2.733 985 H9 ACD 201 H9 ACD 1 3.930 5.510 2.015 986 H101 ACD 201 H101 ACD 1 2.829 4.761 -0.553 987 H102 ACD 201 H102 ACD 1 2.322 3.458 0.525 988 H11 ACD 201 H11 ACD 1 5.311 4.239 0.404 989 H12 ACD 201 H12 ACD 1 5.545 1.901 0.046 990 H131 ACD 201 H131 ACD 1 2.572 2.053 -0.636 991 H132 ACD 201 H132 ACD 1 3.612 0.632 -0.766 992 H14 ACD 201 H14 ACD 1 2.503 1.688 1.936 993 H15 ACD 201 H15 ACD 1 2.404 -0.646 2.381 994 H161 ACD 201 H161 ACD 1 2.602 -1.385 -0.392 995 H162 ACD 201 H162 ACD 1 4.256 -0.916 0.015 996 H171 ACD 201 H171 ACD 1 4.391 -2.563 1.775 997 H172 ACD 201 H172 ACD 1 2.663 -2.905 1.667 998 H181 ACD 201 H181 ACD 1 4.693 -3.449 -0.540 999 H182 ACD 201 H182 ACD 1 2.966 -3.807 -0.623 1000 H191 ACD 201 H191 ACD 1 4.966 -4.995 1.350 1001 H192 ACD 201 H192 ACD 1 3.226 -5.288 1.407 1002 H201 ACD 201 H201 ACD 1 5.045 -5.981 -0.913 1003 H202 ACD 201 H202 ACD 1 3.336 -6.259 -0.864 1004 H203 ACD 201 H203 ACD 1 4.382 -7.099 0.232 Start of MODEL 19 1 H1 MET 1 1H MET 1 16.903 14.875 -15.447 2 H2 MET 1 2H MET 1 17.505 15.327 -13.937 3 H3 MET 1 3H MET 1 15.869 14.949 -14.113 4 HA MET 1 HA MET 1 16.408 12.672 -14.637 5 HB2 MET 1 1HB MET 1 19.249 13.574 -14.108 6 HB3 MET 1 2HB MET 1 18.747 11.901 -14.300 7 HG2 MET 1 1HG MET 1 18.011 12.408 -16.589 8 HG3 MET 1 2HG MET 1 18.579 14.064 -16.386 9 HE1 MET 1 1HE MET 1 21.185 12.417 -18.852 10 HE2 MET 1 2HE MET 1 20.035 13.735 -18.637 11 HE3 MET 1 3HE MET 1 19.458 12.073 -18.756 12 H GLU 2 H GLU 2 15.012 13.149 -12.740 13 HA GLU 2 HA GLU 2 16.384 12.364 -10.273 14 HB2 GLU 2 1HB GLU 2 14.325 14.559 -10.441 15 HB3 GLU 2 2HB GLU 2 15.042 13.935 -8.969 16 HG2 GLU 2 1HG GLU 2 17.226 14.762 -9.705 17 HG3 GLU 2 2HG GLU 2 16.469 15.412 -11.160 18 H PHE 3 H PHE 3 15.471 10.607 -9.509 19 HA PHE 3 HA PHE 3 12.991 9.579 -10.393 20 HB2 PHE 3 1HB PHE 3 14.711 8.102 -9.523 21 HB3 PHE 3 2HB PHE 3 14.643 8.897 -7.947 22 HD1 PHE 3 HD1 PHE 3 12.693 6.839 -10.326 23 HD2 PHE 3 HD2 PHE 3 13.146 8.176 -6.317 24 HE1 PHE 3 HE1 PHE 3 10.992 5.215 -9.600 25 HE2 PHE 3 HE2 PHE 3 11.443 6.557 -5.577 26 HZ PHE 3 HZ PHE 3 10.366 5.072 -7.222 27 H THR 4 H THR 4 11.015 10.146 -9.834 28 HA THR 4 HA THR 4 10.692 12.007 -7.590 29 HB THR 4 HB THR 4 8.347 11.518 -9.282 30 HG1 THR 4 HG1 THR 4 10.837 12.253 -10.390 31 HG21 THR 4 1HG2 THR 4 8.321 13.969 -9.305 32 HG22 THR 4 2HG2 THR 4 9.886 13.984 -8.491 33 HG23 THR 4 3HG2 THR 4 8.471 13.323 -7.673 34 H VAL 5 H VAL 5 9.926 11.326 -5.770 35 HA VAL 5 HA VAL 5 8.418 8.804 -5.643 36 HB VAL 5 HB VAL 5 9.134 8.517 -3.497 37 HG11 VAL 5 1HG1 VAL 5 11.220 10.407 -4.524 38 HG12 VAL 5 2HG1 VAL 5 11.146 8.662 -4.756 39 HG13 VAL 5 3HG1 VAL 5 11.414 9.325 -3.145 40 HG21 VAL 5 1HG2 VAL 5 9.566 10.267 -1.862 41 HG22 VAL 5 2HG2 VAL 5 7.976 10.474 -2.599 42 HG23 VAL 5 3HG2 VAL 5 9.322 11.500 -3.100 43 H SER 6 H SER 6 6.531 8.737 -4.257 44 HA SER 6 HA SER 6 4.852 11.054 -4.835 45 HB2 SER 6 1HB SER 6 4.080 8.302 -3.821 46 HB3 SER 6 2HB SER 6 2.971 9.554 -4.380 47 HG SER 6 HG SER 6 4.718 7.928 -5.848 48 H THR 7 H THR 7 5.313 12.542 -3.244 49 HA THR 7 HA THR 7 5.567 11.791 -0.493 50 HB THR 7 HB THR 7 5.699 14.188 -0.022 51 HG1 THR 7 HG1 THR 7 4.976 14.442 -2.776 52 HG21 THR 7 1HG2 THR 7 7.706 13.013 -0.791 53 HG22 THR 7 2HG2 THR 7 7.699 14.694 -1.324 54 HG23 THR 7 3HG2 THR 7 7.298 13.409 -2.461 55 H THR 8 H THR 8 4.187 13.552 0.990 56 HA THR 8 HA THR 8 1.694 12.311 1.219 57 HB THR 8 HB THR 8 2.392 15.013 2.361 58 HG1 THR 8 HG1 THR 8 3.859 12.948 2.658 59 HG21 THR 8 1HG2 THR 8 0.572 12.787 3.274 60 HG22 THR 8 2HG2 THR 8 0.087 14.384 2.703 61 HG23 THR 8 3HG2 THR 8 0.959 14.220 4.226 62 H GLU 9 H GLU 9 2.574 15.454 -0.170 63 HA GLU 9 HA GLU 9 -0.037 16.299 -0.758 64 HB2 GLU 9 1HB GLU 9 2.018 17.732 -0.773 65 HB3 GLU 9 2HB GLU 9 2.464 16.994 -2.300 66 HG2 GLU 9 1HG GLU 9 -0.143 18.418 -1.926 67 HG3 GLU 9 2HG GLU 9 1.333 19.272 -2.359 68 H ASP 10 H ASP 10 2.340 14.538 -2.736 69 HA ASP 10 HA ASP 10 0.755 14.266 -5.044 70 HB2 ASP 10 1HB ASP 10 2.832 12.315 -4.020 71 HB3 ASP 10 2HB ASP 10 2.192 12.396 -5.657 72 H LEU 11 H LEU 11 1.015 12.325 -2.125 73 HA LEU 11 HA LEU 11 -0.564 10.178 -2.984 74 HB2 LEU 11 1HB LEU 11 0.874 9.945 -1.082 75 HB3 LEU 11 2HB LEU 11 0.008 11.210 -0.205 76 HG LEU 11 HG LEU 11 -1.989 9.739 -0.186 77 HD11 LEU 11 1HD1 LEU 11 -0.107 7.673 -1.296 78 HD12 LEU 11 2HD1 LEU 11 -1.423 8.439 -2.182 79 HD13 LEU 11 3HD1 LEU 11 -1.781 7.417 -0.797 80 HD21 LEU 11 1HD2 LEU 11 -1.200 8.290 1.553 81 HD22 LEU 11 2HD2 LEU 11 -0.352 9.830 1.682 82 HD23 LEU 11 3HD2 LEU 11 0.459 8.431 0.978 83 H GLN 12 H GLN 12 -1.403 13.202 -1.342 84 HA GLN 12 HA GLN 12 -4.126 12.535 -0.894 85 HB2 GLN 12 1HB GLN 12 -2.833 15.248 -1.152 86 HB3 GLN 12 2HB GLN 12 -4.442 14.944 -0.511 87 HG2 GLN 12 1HG GLN 12 -3.495 13.715 1.343 88 HG3 GLN 12 2HG GLN 12 -1.880 13.909 0.669 89 HE21 GLN 12 1HE2 GLN 12 -2.467 16.685 -0.171 90 HE22 GLN 12 2HE2 GLN 12 -2.388 17.621 1.285 91 H ARG 13 H ARG 13 -2.349 13.617 -3.607 92 HA ARG 13 HA ARG 13 -4.509 14.643 -5.143 93 HB2 ARG 13 1HB ARG 13 -2.072 15.090 -5.527 94 HB3 ARG 13 2HB ARG 13 -1.919 13.444 -6.122 95 HG2 ARG 13 1HG ARG 13 -3.594 14.000 -7.882 96 HG3 ARG 13 2HG ARG 13 -3.527 15.683 -7.323 97 HD2 ARG 13 1HD ARG 13 -1.336 14.031 -8.552 98 HD3 ARG 13 2HD ARG 13 -2.019 15.546 -9.139 99 HE ARG 13 HE ARG 13 -1.002 16.533 -7.033 100 HH11 ARG 13 1HH1 ARG 13 0.385 13.823 -8.767 101 HH12 ARG 13 2HH1 ARG 13 1.980 14.075 -8.132 102 HH21 ARG 13 1HH2 ARG 13 1.113 16.857 -6.181 103 HH22 ARG 13 2HH2 ARG 13 2.392 15.773 -6.665 104 H TYR 14 H TYR 14 -2.650 11.613 -5.450 105 HA TYR 14 HA TYR 14 -4.342 10.381 -7.311 106 HB2 TYR 14 1HB TYR 14 -2.596 9.018 -5.251 107 HB3 TYR 14 2HB TYR 14 -3.227 8.299 -6.725 108 HD1 TYR 14 HD1 TYR 14 -0.326 9.463 -5.363 109 HD2 TYR 14 HD2 TYR 14 -2.683 9.960 -8.867 110 HE1 TYR 14 HE1 TYR 14 1.670 10.190 -6.594 111 HE2 TYR 14 HE2 TYR 14 -0.689 10.680 -10.112 112 HH TYR 14 HH TYR 14 2.483 10.340 -8.852 113 H ARG 15 H ARG 15 -4.407 10.380 -3.802 114 HA ARG 15 HA ARG 15 -6.176 8.232 -3.490 115 HB2 ARG 15 1HB ARG 15 -5.356 8.505 -1.449 116 HB3 ARG 15 2HB ARG 15 -4.811 10.128 -1.831 117 HG2 ARG 15 1HG ARG 15 -6.873 11.074 -1.093 118 HG3 ARG 15 2HG ARG 15 -7.623 9.477 -0.970 119 HD2 ARG 15 1HD ARG 15 -6.131 8.858 0.824 120 HD3 ARG 15 2HD ARG 15 -5.231 10.360 0.650 121 HE ARG 15 HE ARG 15 -7.729 11.222 1.189 122 HH11 ARG 15 1HH1 ARG 15 -5.691 8.808 2.707 123 HH12 ARG 15 2HH1 ARG 15 -6.247 9.171 4.309 124 HH21 ARG 15 1HH2 ARG 15 -8.493 11.679 3.289 125 HH22 ARG 15 2HH2 ARG 15 -7.872 10.787 4.640 126 H THR 16 H THR 16 -6.747 11.684 -3.886 127 HA THR 16 HA THR 16 -9.539 11.576 -3.367 128 HB THR 16 HB THR 16 -8.047 13.569 -5.073 129 HG1 THR 16 HG1 THR 16 -7.062 13.758 -3.135 130 HG21 THR 16 1HG2 THR 16 -10.512 13.625 -5.249 131 HG22 THR 16 2HG2 THR 16 -9.849 15.084 -4.510 132 HG23 THR 16 3HG2 THR 16 -10.608 13.850 -3.502 133 H GLU 17 H GLU 17 -7.584 11.425 -6.318 134 HA GLU 17 HA GLU 17 -9.630 11.306 -8.219 135 HB2 GLU 17 1HB GLU 17 -7.168 9.605 -8.489 136 HB3 GLU 17 2HB GLU 17 -8.039 10.477 -9.729 137 HG2 GLU 17 1HG GLU 17 -6.412 11.798 -7.577 138 HG3 GLU 17 2HG GLU 17 -5.849 11.454 -9.214 139 H CYS 18 H CYS 18 -8.010 8.626 -6.517 140 HA CYS 18 HA CYS 18 -9.601 6.602 -7.659 141 HB2 CYS 18 1HB CYS 18 -8.002 6.636 -5.102 142 HB3 CYS 18 2HB CYS 18 -8.797 5.197 -5.754 143 H VAL 19 H VAL 19 -9.996 8.537 -4.728 144 HA VAL 19 HA VAL 19 -12.183 7.165 -3.660 145 HB VAL 19 HB VAL 19 -11.182 9.969 -3.380 146 HG11 VAL 19 1HG1 VAL 19 -13.763 8.964 -2.187 147 HG12 VAL 19 2HG1 VAL 19 -13.614 10.200 -3.439 148 HG13 VAL 19 3HG1 VAL 19 -12.975 10.499 -1.821 149 HG21 VAL 19 1HG2 VAL 19 -11.054 9.262 -1.005 150 HG22 VAL 19 2HG2 VAL 19 -10.090 8.266 -2.093 151 HG23 VAL 19 3HG2 VAL 19 -11.637 7.667 -1.489 152 H SER 20 H SER 20 -12.097 10.000 -5.777 153 HA SER 20 HA SER 20 -14.885 10.250 -6.042 154 HB2 SER 20 1HB SER 20 -13.123 11.992 -6.535 155 HB3 SER 20 2HB SER 20 -12.797 11.137 -8.041 156 HG SER 20 HG SER 20 -15.106 12.556 -7.257 157 H SER 21 H SER 21 -12.504 8.395 -7.902 158 HA SER 21 HA SER 21 -14.318 7.794 -10.037 159 HB2 SER 21 1HB SER 21 -11.661 6.581 -9.262 160 HB3 SER 21 2HB SER 21 -12.536 6.202 -10.745 161 HG SER 21 HG SER 21 -12.044 8.896 -10.168 162 H LEU 22 H LEU 22 -13.078 5.943 -7.232 163 HA LEU 22 HA LEU 22 -14.575 3.616 -8.063 164 HB2 LEU 22 1HB LEU 22 -12.828 4.155 -5.668 165 HB3 LEU 22 2HB LEU 22 -13.642 2.615 -5.951 166 HG LEU 22 HG LEU 22 -11.622 3.860 -7.814 167 HD11 LEU 22 1HD1 LEU 22 -11.344 1.613 -5.821 168 HD12 LEU 22 2HD1 LEU 22 -10.577 3.198 -5.726 169 HD13 LEU 22 3HD1 LEU 22 -10.126 2.078 -7.011 170 HD21 LEU 22 1HD2 LEU 22 -13.204 2.445 -8.966 171 HD22 LEU 22 2HD2 LEU 22 -12.951 1.159 -7.786 172 HD23 LEU 22 3HD2 LEU 22 -11.638 1.638 -8.862 173 H ASN 23 H ASN 23 -15.718 6.286 -6.868 174 HA ASN 23 HA ASN 23 -17.543 6.924 -5.665 175 HB2 ASN 23 1HB ASN 23 -18.561 5.211 -7.153 176 HB3 ASN 23 2HB ASN 23 -18.321 4.013 -5.899 177 HD21 ASN 23 1HD2 ASN 23 -20.477 3.567 -5.688 178 HD22 ASN 23 2HD2 ASN 23 -21.610 4.683 -4.997 179 H ILE 24 H ILE 24 -15.233 6.285 -4.157 180 HA ILE 24 HA ILE 24 -15.904 4.721 -1.870 181 HB ILE 24 HB ILE 24 -13.766 6.845 -2.044 182 HG12 ILE 24 1HG1 ILE 24 -13.525 5.272 -3.930 183 HG13 ILE 24 2HG1 ILE 24 -12.229 5.068 -2.756 184 HG21 ILE 24 1HG2 ILE 24 -14.026 4.372 -0.333 185 HG22 ILE 24 2HG2 ILE 24 -14.241 6.037 0.204 186 HG23 ILE 24 3HG2 ILE 24 -12.656 5.483 -0.333 187 HD11 ILE 24 1HD1 ILE 24 -13.024 2.930 -3.588 188 HD12 ILE 24 2HD1 ILE 24 -14.656 3.308 -3.037 189 HD13 ILE 24 3HD1 ILE 24 -13.359 3.091 -1.861 190 HA PRO 25 HA PRO 25 -18.512 7.813 0.048 191 HB2 PRO 25 1HB PRO 25 -18.204 6.140 2.435 192 HB3 PRO 25 2HB PRO 25 -19.663 6.572 1.543 193 HG2 PRO 25 1HG PRO 25 -18.615 4.093 1.496 194 HG3 PRO 25 2HG PRO 25 -19.487 4.797 0.125 195 HD2 PRO 25 1HD PRO 25 -16.549 4.424 0.517 196 HD3 PRO 25 2HD PRO 25 -17.524 4.310 -0.970 197 H ALA 26 H ALA 26 -18.194 9.520 1.323 198 HA ALA 26 HA ALA 26 -15.627 10.378 1.992 199 HB1 ALA 26 1HB ALA 26 -16.729 12.221 3.128 200 HB2 ALA 26 2HB ALA 26 -18.253 11.333 3.116 201 HB3 ALA 26 3HB ALA 26 -17.533 11.868 1.598 202 H ASP 27 H ASP 27 -17.985 8.600 3.835 203 HA ASP 27 HA ASP 27 -17.010 8.854 6.415 204 HB2 ASP 27 1HB ASP 27 -19.068 7.681 5.928 205 HB3 ASP 27 2HB ASP 27 -18.190 6.421 5.068 206 H TYR 28 H TYR 28 -16.104 6.379 4.001 207 HA TYR 28 HA TYR 28 -14.038 5.239 5.482 208 HB2 TYR 28 1HB TYR 28 -14.692 5.331 2.560 209 HB3 TYR 28 2HB TYR 28 -13.169 4.615 3.091 210 HD1 TYR 28 HD1 TYR 28 -16.847 4.374 3.367 211 HD2 TYR 28 HD2 TYR 28 -13.124 2.442 4.077 212 HE1 TYR 28 HE1 TYR 28 -18.034 2.276 3.852 213 HE2 TYR 28 HE2 TYR 28 -14.301 0.343 4.568 214 HH TYR 28 HH TYR 28 -17.599 -0.121 3.862 215 H VAL 29 H VAL 29 -14.030 7.951 3.216 216 HA VAL 29 HA VAL 29 -11.275 8.377 3.031 217 HB VAL 29 HB VAL 29 -13.444 10.463 2.963 218 HG11 VAL 29 1HG1 VAL 29 -11.262 11.464 3.181 219 HG12 VAL 29 2HG1 VAL 29 -11.841 11.688 1.530 220 HG13 VAL 29 3HG1 VAL 29 -10.635 10.449 1.883 221 HG21 VAL 29 1HG2 VAL 29 -13.951 8.723 1.393 222 HG22 VAL 29 2HG2 VAL 29 -12.295 8.730 0.791 223 HG23 VAL 29 3HG2 VAL 29 -13.343 10.123 0.509 224 H GLU 30 H GLU 30 -13.654 9.567 5.358 225 HA GLU 30 HA GLU 30 -11.970 11.236 6.851 226 HB2 GLU 30 1HB GLU 30 -14.018 11.637 7.641 227 HB3 GLU 30 2HB GLU 30 -14.623 10.070 7.123 228 HG2 GLU 30 1HG GLU 30 -13.807 9.063 9.163 229 HG3 GLU 30 2HG GLU 30 -13.073 10.592 9.650 230 H LYS 31 H LYS 31 -12.627 7.793 7.025 231 HA LYS 31 HA LYS 31 -11.128 7.289 9.370 232 HB2 LYS 31 1HB LYS 31 -11.844 5.409 7.113 233 HB3 LYS 31 2HB LYS 31 -11.220 4.931 8.698 234 HG2 LYS 31 1HG LYS 31 -13.195 6.025 9.735 235 HG3 LYS 31 2HG LYS 31 -13.838 6.292 8.114 236 HD2 LYS 31 1HD LYS 31 -13.771 3.844 7.726 237 HD3 LYS 31 2HD LYS 31 -13.243 3.624 9.408 238 HE2 LYS 31 1HE LYS 31 -15.319 4.765 10.161 239 HE3 LYS 31 2HE LYS 31 -15.846 4.864 8.483 240 HZ1 LYS 31 1HZ LYS 31 -15.814 2.439 8.392 241 HZ2 LYS 31 2HZ LYS 31 -16.862 3.003 9.588 242 HZ3 LYS 31 3HZ LYS 31 -15.354 2.373 10.020 243 H PHE 32 H PHE 32 -10.328 6.970 5.920 244 HA PHE 32 HA PHE 32 -7.708 6.079 6.183 245 HB2 PHE 32 1HB PHE 32 -8.728 7.923 4.015 246 HB3 PHE 32 2HB PHE 32 -7.331 6.861 3.921 247 HD1 PHE 32 HD1 PHE 32 -8.704 4.471 5.284 248 HD2 PHE 32 HD2 PHE 32 -9.857 7.071 2.122 249 HE1 PHE 32 HE1 PHE 32 -10.110 2.695 4.337 250 HE2 PHE 32 HE2 PHE 32 -11.273 5.299 1.176 251 HZ PHE 32 HZ PHE 32 -11.400 3.103 2.283 252 H LYS 33 H LYS 33 -9.037 9.215 6.736 253 HA LYS 33 HA LYS 33 -6.720 10.801 6.421 254 HB2 LYS 33 1HB LYS 33 -9.261 11.420 6.765 255 HB3 LYS 33 2HB LYS 33 -8.808 11.433 8.464 256 HG2 LYS 33 1HG LYS 33 -7.132 13.114 8.060 257 HG3 LYS 33 2HG LYS 33 -7.465 13.063 6.322 258 HD2 LYS 33 1HD LYS 33 -9.793 13.778 6.799 259 HD3 LYS 33 2HD LYS 33 -9.365 13.931 8.504 260 HE2 LYS 33 1HE LYS 33 -8.087 15.446 6.232 261 HE3 LYS 33 2HE LYS 33 -9.306 16.089 7.329 262 HZ1 LYS 33 1HZ LYS 33 -7.054 16.736 7.959 263 HZ2 LYS 33 2HZ LYS 33 -6.627 15.114 8.147 264 HZ3 LYS 33 3HZ LYS 33 -7.786 15.802 9.161 265 H LYS 34 H LYS 34 -7.915 8.781 9.020 266 HA LYS 34 HA LYS 34 -5.632 9.594 10.681 267 HB2 LYS 34 1HB LYS 34 -8.254 8.289 11.398 268 HB3 LYS 34 2HB LYS 34 -6.911 8.392 12.529 269 HG2 LYS 34 1HG LYS 34 -8.367 10.700 11.255 270 HG3 LYS 34 2HG LYS 34 -8.520 10.155 12.926 271 HD2 LYS 34 1HD LYS 34 -6.106 10.643 13.248 272 HD3 LYS 34 2HD LYS 34 -6.062 11.308 11.613 273 HE2 LYS 34 1HE LYS 34 -6.308 13.091 13.231 274 HE3 LYS 34 2HE LYS 34 -7.764 12.953 12.248 275 HZ1 LYS 34 1HZ LYS 34 -8.835 11.763 14.039 276 HZ2 LYS 34 2HZ LYS 34 -8.276 13.257 14.593 277 HZ3 LYS 34 3HZ LYS 34 -7.434 11.846 14.982 278 H TRP 35 H TRP 35 -5.415 7.841 8.424 279 HA TRP 35 HA TRP 35 -4.700 5.816 7.721 280 HB2 TRP 35 1HB TRP 35 -3.418 5.916 10.450 281 HB3 TRP 35 2HB TRP 35 -2.972 4.765 9.182 282 HD1 TRP 35 HD1 TRP 35 -2.754 8.483 10.072 283 HE1 TRP 35 HE1 TRP 35 -0.952 9.587 8.603 284 HE3 TRP 35 HE3 TRP 35 -1.760 4.567 6.943 285 HZ2 TRP 35 HZ2 TRP 35 0.677 8.883 6.416 286 HZ3 TRP 35 HZ3 TRP 35 -0.070 4.865 5.191 287 HH2 TRP 35 HH2 TRP 35 1.129 6.971 4.927 288 H GLU 36 H GLU 36 -7.290 5.672 8.730 289 HA GLU 36 HA GLU 36 -7.365 3.052 10.049 290 HB2 GLU 36 1HB GLU 36 -9.512 5.134 9.669 291 HB3 GLU 36 2HB GLU 36 -9.781 3.556 10.390 292 HG2 GLU 36 1HG GLU 36 -8.301 4.108 12.213 293 HG3 GLU 36 2HG GLU 36 -7.915 5.649 11.454 294 H PHE 37 H PHE 37 -7.356 1.469 8.611 295 HA PHE 37 HA PHE 37 -8.986 1.777 6.174 296 HB2 PHE 37 1HB PHE 37 -6.568 -0.011 6.566 297 HB3 PHE 37 2HB PHE 37 -7.449 0.233 5.062 298 HD1 PHE 37 HD1 PHE 37 -5.184 1.784 7.503 299 HD2 PHE 37 HD2 PHE 37 -7.052 2.162 3.695 300 HE1 PHE 37 HE1 PHE 37 -3.690 3.659 6.958 301 HE2 PHE 37 HE2 PHE 37 -5.569 4.046 3.154 302 HZ PHE 37 HZ PHE 37 -3.885 4.798 4.786 303 HA PRO 38 HA PRO 38 -11.255 -1.478 8.535 304 HB2 PRO 38 1HB PRO 38 -13.202 -0.687 6.432 305 HB3 PRO 38 2HB PRO 38 -13.447 -0.950 8.170 306 HG2 PRO 38 1HG PRO 38 -13.410 1.517 7.206 307 HG3 PRO 38 2HG PRO 38 -12.597 1.138 8.736 308 HD2 PRO 38 1HD PRO 38 -11.395 1.511 6.006 309 HD3 PRO 38 2HD PRO 38 -10.817 2.109 7.593 310 H GLU 39 H GLU 39 -11.443 -3.555 8.001 311 HA GLU 39 HA GLU 39 -10.311 -4.423 5.521 312 HB2 GLU 39 1HB GLU 39 -9.858 -5.527 7.687 313 HB3 GLU 39 2HB GLU 39 -11.532 -6.052 7.751 314 HG2 GLU 39 1HG GLU 39 -11.243 -7.554 5.988 315 HG3 GLU 39 2HG GLU 39 -9.747 -6.782 5.461 316 H ASP 40 H ASP 40 -11.658 -3.794 3.945 317 HA ASP 40 HA ASP 40 -14.070 -5.323 3.477 318 HB2 ASP 40 1HB ASP 40 -14.900 -3.415 4.847 319 HB3 ASP 40 2HB ASP 40 -14.204 -2.295 3.682 320 H ASP 41 H ASP 41 -14.628 -5.354 1.319 321 HA ASP 41 HA ASP 41 -12.584 -5.197 -0.530 322 HB2 ASP 41 1HB ASP 41 -15.560 -5.148 -1.047 323 HB3 ASP 41 2HB ASP 41 -14.334 -5.415 -2.278 324 H THR 42 H THR 42 -14.881 -2.716 0.384 325 HA THR 42 HA THR 42 -14.585 -0.915 -1.734 326 HB THR 42 HB THR 42 -14.812 -0.124 1.165 327 HG1 THR 42 HG1 THR 42 -16.387 -1.669 0.878 328 HG21 THR 42 1HG2 THR 42 -15.853 1.109 -1.384 329 HG22 THR 42 2HG2 THR 42 -14.531 1.721 -0.388 330 HG23 THR 42 3HG2 THR 42 -16.179 1.710 0.243 331 H THR 43 H THR 43 -12.917 -0.871 1.396 332 HA THR 43 HA THR 43 -10.983 1.047 0.842 333 HB THR 43 HB THR 43 -10.630 -1.350 2.647 334 HG1 THR 43 HG1 THR 43 -11.546 0.231 4.234 335 HG21 THR 43 1HG2 THR 43 -9.478 1.437 2.654 336 HG22 THR 43 2HG2 THR 43 -8.607 -0.087 2.475 337 HG23 THR 43 3HG2 THR 43 -9.356 0.328 4.019 338 H MET 44 H MET 44 -11.095 -2.367 0.130 339 HA MET 44 HA MET 44 -8.327 -2.739 -0.309 340 HB2 MET 44 1HB MET 44 -10.677 -4.356 -1.271 341 HB3 MET 44 2HB MET 44 -9.003 -4.886 -1.317 342 HG2 MET 44 1HG MET 44 -8.904 -4.722 1.127 343 HG3 MET 44 2HG MET 44 -10.592 -4.229 1.150 344 HE1 MET 44 1HE MET 44 -11.139 -6.126 2.886 345 HE2 MET 44 2HE MET 44 -9.443 -6.613 2.877 346 HE3 MET 44 3HE MET 44 -10.708 -7.823 2.658 347 H CYS 45 H CYS 45 -11.042 -2.387 -2.616 348 HA CYS 45 HA CYS 45 -9.392 -2.402 -4.912 349 HB2 CYS 45 1HB CYS 45 -12.140 -1.186 -4.539 350 HB3 CYS 45 2HB CYS 45 -11.343 -1.419 -6.089 351 H TYR 46 H TYR 46 -10.331 0.075 -2.670 352 HA TYR 46 HA TYR 46 -9.535 2.326 -4.134 353 HB2 TYR 46 1HB TYR 46 -10.840 2.749 -2.244 354 HB3 TYR 46 2HB TYR 46 -9.854 1.717 -1.212 355 HD1 TYR 46 HD1 TYR 46 -8.403 2.724 0.261 356 HD2 TYR 46 HD2 TYR 46 -9.573 4.857 -3.230 357 HE1 TYR 46 HE1 TYR 46 -7.174 4.694 1.060 358 HE2 TYR 46 HE2 TYR 46 -8.340 6.832 -2.438 359 HH TYR 46 HH TYR 46 -6.398 6.729 0.516 360 H ILE 47 H ILE 47 -7.790 0.270 -1.839 361 HA ILE 47 HA ILE 47 -5.402 1.694 -1.792 362 HB ILE 47 HB ILE 47 -5.950 -1.221 -1.307 363 HG12 ILE 47 1HG1 ILE 47 -6.958 0.293 0.314 364 HG13 ILE 47 2HG1 ILE 47 -5.621 -0.568 1.070 365 HG21 ILE 47 1HG2 ILE 47 -3.642 -1.074 -1.990 366 HG22 ILE 47 2HG2 ILE 47 -3.712 -1.328 -0.246 367 HG23 ILE 47 3HG2 ILE 47 -3.365 0.276 -0.890 368 HD11 ILE 47 1HD1 ILE 47 -5.701 2.299 0.164 369 HD12 ILE 47 2HD1 ILE 47 -4.210 1.475 0.624 370 HD13 ILE 47 3HD1 ILE 47 -5.507 1.676 1.802 371 H LYS 48 H LYS 48 -6.434 -0.907 -4.025 372 HA LYS 48 HA LYS 48 -3.880 -1.144 -5.202 373 HB2 LYS 48 1HB LYS 48 -5.497 -1.887 -7.267 374 HB3 LYS 48 2HB LYS 48 -4.944 -2.964 -6.006 375 HG2 LYS 48 1HG LYS 48 -6.999 -2.903 -4.912 376 HG3 LYS 48 2HG LYS 48 -7.492 -1.416 -5.728 377 HD2 LYS 48 1HD LYS 48 -7.078 -4.063 -7.117 378 HD3 LYS 48 2HD LYS 48 -8.644 -3.462 -6.574 379 HE2 LYS 48 1HE LYS 48 -8.397 -1.507 -8.025 380 HE3 LYS 48 2HE LYS 48 -6.829 -2.098 -8.563 381 HZ1 LYS 48 1HZ LYS 48 -9.424 -3.476 -8.977 382 HZ2 LYS 48 2HZ LYS 48 -7.913 -4.031 -9.507 383 HZ3 LYS 48 3HZ LYS 48 -8.567 -2.610 -10.148 384 H CYS 49 H CYS 49 -6.757 0.747 -6.097 385 HA CYS 49 HA CYS 49 -5.812 1.830 -8.469 386 HB2 CYS 49 1HB CYS 49 -8.088 2.126 -7.882 387 HB3 CYS 49 2HB CYS 49 -7.684 2.992 -6.401 388 H VAL 50 H VAL 50 -5.379 2.991 -5.142 389 HA VAL 50 HA VAL 50 -3.989 5.345 -5.788 390 HB VAL 50 HB VAL 50 -3.966 3.696 -3.260 391 HG11 VAL 50 1HG1 VAL 50 -1.991 5.100 -3.333 392 HG12 VAL 50 2HG1 VAL 50 -3.148 5.740 -2.164 393 HG13 VAL 50 3HG1 VAL 50 -2.978 6.504 -3.745 394 HG21 VAL 50 1HG2 VAL 50 -5.482 5.522 -2.478 395 HG22 VAL 50 2HG2 VAL 50 -6.152 4.473 -3.727 396 HG23 VAL 50 3HG2 VAL 50 -5.556 6.075 -4.151 397 H PHE 51 H PHE 51 -2.898 2.137 -4.795 398 HA PHE 51 HA PHE 51 -0.149 2.690 -4.836 399 HB2 PHE 51 1HB PHE 51 -1.851 0.250 -4.754 400 HB3 PHE 51 2HB PHE 51 -0.146 0.042 -5.143 401 HD1 PHE 51 HD1 PHE 51 -1.289 2.703 -2.896 402 HD2 PHE 51 HD2 PHE 51 0.256 -1.257 -3.148 403 HE1 PHE 51 HE1 PHE 51 -0.793 2.744 -0.487 404 HE2 PHE 51 HE2 PHE 51 0.753 -1.218 -0.742 405 HZ PHE 51 HZ PHE 51 0.232 0.783 0.591 406 H ASN 52 H ASN 52 -2.424 1.993 -7.298 407 HA ASN 52 HA ASN 52 -0.572 1.070 -9.284 408 HB2 ASN 52 1HB ASN 52 -2.963 0.454 -9.343 409 HB3 ASN 52 2HB ASN 52 -3.392 2.150 -9.584 410 HD21 ASN 52 1HD2 ASN 52 -0.732 0.327 -11.040 411 HD22 ASN 52 2HD2 ASN 52 -1.289 0.492 -12.670 412 H LYS 53 H LYS 53 -2.197 4.112 -8.532 413 HA LYS 53 HA LYS 53 -1.137 5.518 -10.775 414 HB2 LYS 53 1HB LYS 53 -2.601 6.301 -8.283 415 HB3 LYS 53 2HB LYS 53 -1.913 7.540 -9.325 416 HG2 LYS 53 1HG LYS 53 -3.287 6.751 -11.180 417 HG3 LYS 53 2HG LYS 53 -3.924 5.451 -10.169 418 HD2 LYS 53 1HD LYS 53 -4.940 7.075 -8.677 419 HD3 LYS 53 2HD LYS 53 -4.247 8.402 -9.614 420 HE2 LYS 53 1HE LYS 53 -6.588 8.076 -10.188 421 HE3 LYS 53 2HE LYS 53 -5.550 7.707 -11.563 422 HZ1 LYS 53 1HZ LYS 53 -6.718 5.680 -9.733 423 HZ2 LYS 53 2HZ LYS 53 -5.811 5.369 -11.128 424 HZ3 LYS 53 3HZ LYS 53 -7.338 6.082 -11.255 425 H MET 54 H MET 54 -0.038 4.837 -7.576 426 HA MET 54 HA MET 54 2.009 6.884 -7.617 427 HB2 MET 54 1HB MET 54 1.278 4.717 -5.661 428 HB3 MET 54 2HB MET 54 2.704 5.733 -5.457 429 HG2 MET 54 1HG MET 54 1.407 7.665 -5.198 430 HG3 MET 54 2HG MET 54 -0.043 6.875 -5.806 431 HE1 MET 54 1HE MET 54 2.628 5.737 -3.000 432 HE2 MET 54 2HE MET 54 1.769 6.396 -1.606 433 HE3 MET 54 3HE MET 54 2.348 7.473 -2.876 434 H GLN 55 H GLN 55 1.687 4.178 -9.270 435 HA GLN 55 HA GLN 55 2.992 2.674 -10.284 436 HB2 GLN 55 1HB GLN 55 4.902 4.913 -9.773 437 HB3 GLN 55 2HB GLN 55 5.462 3.432 -10.561 438 HG2 GLN 55 1HG GLN 55 3.817 3.743 -12.310 439 HG3 GLN 55 2HG GLN 55 3.203 5.175 -11.495 440 HE21 GLN 55 1HE2 GLN 55 4.304 4.895 -14.165 441 HE22 GLN 55 2HE2 GLN 55 5.651 5.979 -14.255 442 H LEU 56 H LEU 56 2.434 1.791 -7.891 443 HA LEU 56 HA LEU 56 4.961 0.836 -6.770 444 HB2 LEU 56 1HB LEU 56 2.744 2.268 -5.513 445 HB3 LEU 56 2HB LEU 56 3.236 0.821 -4.621 446 HG LEU 56 HG LEU 56 5.023 3.114 -5.429 447 HD11 LEU 56 1HD1 LEU 56 3.813 2.366 -2.776 448 HD12 LEU 56 2HD1 LEU 56 3.485 3.817 -3.718 449 HD13 LEU 56 3HD1 LEU 56 5.072 3.573 -2.998 450 HD21 LEU 56 1HD2 LEU 56 6.603 2.012 -3.838 451 HD22 LEU 56 2HD2 LEU 56 6.323 1.117 -5.329 452 HD23 LEU 56 3HD2 LEU 56 5.530 0.613 -3.836 453 H PHE 57 H PHE 57 1.810 0.098 -7.873 454 HA PHE 57 HA PHE 57 2.238 -2.734 -7.265 455 HB2 PHE 57 1HB PHE 57 0.702 -2.020 -5.525 456 HB3 PHE 57 2HB PHE 57 -0.307 -1.185 -6.695 457 HD1 PHE 57 HD1 PHE 57 -1.951 -2.346 -7.968 458 HD2 PHE 57 HD2 PHE 57 0.723 -4.488 -5.437 459 HE1 PHE 57 HE1 PHE 57 -3.345 -4.359 -8.203 460 HE2 PHE 57 HE2 PHE 57 -0.668 -6.503 -5.671 461 HZ PHE 57 HZ PHE 57 -2.705 -6.440 -7.055 462 H ASP 58 H ASP 58 1.619 -4.074 -8.859 463 HA ASP 58 HA ASP 58 0.288 -2.887 -11.206 464 HB2 ASP 58 1HB ASP 58 2.668 -3.324 -11.660 465 HB3 ASP 58 2HB ASP 58 2.461 -5.000 -11.167 466 H ASP 59 H ASP 59 -1.270 -4.110 -12.196 467 HA ASP 59 HA ASP 59 -2.760 -5.826 -10.521 468 HB2 ASP 59 1HB ASP 59 -3.846 -4.440 -12.187 469 HB3 ASP 59 2HB ASP 59 -3.011 -5.273 -13.480 470 H THR 60 H THR 60 -0.266 -6.456 -12.823 471 HA THR 60 HA THR 60 -0.951 -9.287 -12.961 472 HB THR 60 HB THR 60 1.060 -7.594 -14.421 473 HG1 THR 60 HG1 THR 60 -1.293 -7.701 -14.973 474 HG21 THR 60 1HG2 THR 60 1.665 -9.581 -15.712 475 HG22 THR 60 2HG2 THR 60 0.648 -10.574 -14.668 476 HG23 THR 60 3HG2 THR 60 2.077 -9.774 -14.008 477 H GLU 61 H GLU 61 2.068 -7.427 -12.410 478 HA GLU 61 HA GLU 61 3.388 -9.671 -11.240 479 HB2 GLU 61 1HB GLU 61 4.325 -6.838 -10.949 480 HB3 GLU 61 2HB GLU 61 5.268 -8.313 -11.050 481 HG2 GLU 61 1HG GLU 61 4.620 -8.557 -13.395 482 HG3 GLU 61 2HG GLU 61 3.737 -7.037 -13.292 483 H GLY 62 H GLY 62 1.263 -7.341 -9.941 484 HA2 GLY 62 1HA GLY 62 0.531 -7.124 -7.741 485 HA3 GLY 62 2HA GLY 62 1.761 -8.297 -7.262 486 HA PRO 63 HA PRO 63 3.223 -4.383 -5.368 487 HB2 PRO 63 1HB PRO 63 4.845 -6.383 -3.893 488 HB3 PRO 63 2HB PRO 63 3.848 -5.059 -3.275 489 HG2 PRO 63 1HG PRO 63 3.073 -7.624 -3.065 490 HG3 PRO 63 2HG PRO 63 1.914 -6.308 -3.327 491 HD2 PRO 63 1HD PRO 63 2.984 -8.317 -5.269 492 HD3 PRO 63 2HD PRO 63 1.352 -7.607 -5.155 493 H LEU 64 H LEU 64 4.772 -3.284 -6.368 494 HA LEU 64 HA LEU 64 6.906 -4.681 -7.779 495 HB2 LEU 64 1HB LEU 64 6.403 -1.706 -7.640 496 HB3 LEU 64 2HB LEU 64 7.400 -2.564 -8.797 497 HG LEU 64 HG LEU 64 4.406 -2.857 -8.597 498 HD11 LEU 64 1HD1 LEU 64 6.084 -1.349 -10.596 499 HD12 LEU 64 2HD1 LEU 64 5.017 -0.636 -9.386 500 HD13 LEU 64 3HD1 LEU 64 4.343 -1.606 -10.696 501 HD21 LEU 64 1HD2 LEU 64 6.350 -3.853 -10.667 502 HD22 LEU 64 2HD2 LEU 64 4.602 -4.089 -10.662 503 HD23 LEU 64 3HD2 LEU 64 5.601 -4.840 -9.414 504 H VAL 65 H VAL 65 8.339 -5.398 -6.373 505 HA VAL 65 HA VAL 65 8.950 -4.432 -3.883 506 HB VAL 65 HB VAL 65 10.665 -6.066 -5.736 507 HG11 VAL 65 1HG1 VAL 65 10.979 -5.627 -2.769 508 HG12 VAL 65 2HG1 VAL 65 12.063 -5.030 -4.027 509 HG13 VAL 65 3HG1 VAL 65 11.905 -6.765 -3.748 510 HG21 VAL 65 1HG2 VAL 65 8.563 -7.112 -5.218 511 HG22 VAL 65 2HG2 VAL 65 8.789 -6.796 -3.500 512 HG23 VAL 65 3HG2 VAL 65 9.849 -7.933 -4.335 513 H ASP 66 H ASP 66 10.711 -3.732 -6.909 514 HA ASP 66 HA ASP 66 12.857 -2.398 -5.699 515 HB2 ASP 66 1HB ASP 66 12.869 -3.197 -8.023 516 HB3 ASP 66 2HB ASP 66 11.732 -1.926 -8.458 517 H ASN 67 H ASN 67 9.936 -1.017 -7.219 518 HA ASN 67 HA ASN 67 10.486 1.652 -6.529 519 HB2 ASN 67 1HB ASN 67 7.894 0.236 -7.138 520 HB3 ASN 67 2HB ASN 67 7.987 1.963 -6.831 521 HD21 ASN 67 1HD2 ASN 67 7.248 2.447 -8.876 522 HD22 ASN 67 2HD2 ASN 67 8.234 2.260 -10.289 523 H LEU 68 H LEU 68 8.957 -0.972 -4.825 524 HA LEU 68 HA LEU 68 7.797 0.471 -2.723 525 HB2 LEU 68 1HB LEU 68 8.671 -2.359 -3.096 526 HB3 LEU 68 2HB LEU 68 8.198 -1.806 -1.496 527 HG LEU 68 HG LEU 68 6.419 -1.454 -3.895 528 HD11 LEU 68 1HD1 LEU 68 5.249 -3.472 -3.227 529 HD12 LEU 68 2HD1 LEU 68 6.421 -3.747 -1.937 530 HD13 LEU 68 3HD1 LEU 68 6.926 -3.841 -3.624 531 HD21 LEU 68 1HD2 LEU 68 5.939 -0.074 -1.946 532 HD22 LEU 68 2HD2 LEU 68 5.890 -1.515 -0.932 533 HD23 LEU 68 3HD2 LEU 68 4.681 -1.284 -2.195 534 H VAL 69 H VAL 69 10.992 -1.013 -3.030 535 HA VAL 69 HA VAL 69 11.920 -0.248 -0.463 536 HB VAL 69 HB VAL 69 13.492 -0.878 -2.953 537 HG11 VAL 69 1HG1 VAL 69 14.311 -0.709 -0.062 538 HG12 VAL 69 2HG1 VAL 69 14.882 0.301 -1.391 539 HG13 VAL 69 3HG1 VAL 69 15.306 -1.410 -1.337 540 HG21 VAL 69 1HG2 VAL 69 13.684 -3.110 -2.058 541 HG22 VAL 69 2HG2 VAL 69 11.982 -2.678 -2.225 542 HG23 VAL 69 3HG2 VAL 69 12.748 -2.647 -0.636 543 H HIS 70 H HIS 70 12.300 1.208 -3.689 544 HA HIS 70 HA HIS 70 13.984 3.306 -2.795 545 HB2 HIS 70 1HB HIS 70 12.336 2.920 -5.282 546 HB3 HIS 70 2HB HIS 70 13.238 4.408 -4.997 547 HD1 HIS 70 HD1 HIS 70 15.785 4.322 -5.244 548 HD2 HIS 70 HD2 HIS 70 13.944 0.632 -5.738 549 HE1 HIS 70 HE1 HIS 70 17.563 2.796 -6.147 550 HE2 HIS 70 HE2 HIS 70 16.478 0.525 -6.222 551 H GLN 71 H GLN 71 10.648 2.806 -2.546 552 HA GLN 71 HA GLN 71 9.988 5.618 -2.143 553 HB2 GLN 71 1HB GLN 71 8.544 3.610 -3.163 554 HB3 GLN 71 2HB GLN 71 8.094 3.422 -1.477 555 HG2 GLN 71 1HG GLN 71 6.442 4.772 -2.454 556 HG3 GLN 71 2HG GLN 71 7.449 5.847 -1.488 557 HE21 GLN 71 1HE2 GLN 71 8.532 4.582 -4.543 558 HE22 GLN 71 2HE2 GLN 71 8.439 6.069 -5.414 559 H LEU 72 H LEU 72 9.662 2.605 -0.294 560 HA LEU 72 HA LEU 72 8.969 3.908 2.103 561 HB2 LEU 72 1HB LEU 72 9.827 1.083 1.539 562 HB3 LEU 72 2HB LEU 72 9.305 1.631 3.121 563 HG LEU 72 HG LEU 72 7.610 1.751 0.627 564 HD11 LEU 72 1HD1 LEU 72 6.377 -0.129 1.635 565 HD12 LEU 72 2HD1 LEU 72 7.591 -0.221 2.913 566 HD13 LEU 72 3HD1 LEU 72 8.043 -0.560 1.243 567 HD21 LEU 72 1HD2 LEU 72 6.915 3.420 2.188 568 HD22 LEU 72 2HD2 LEU 72 7.021 2.282 3.532 569 HD23 LEU 72 3HD2 LEU 72 5.779 2.073 2.296 570 H ALA 73 H ALA 73 12.042 2.553 0.961 571 HA ALA 73 HA ALA 73 13.387 2.844 3.456 572 HB1 ALA 73 1HB ALA 73 14.023 1.226 1.705 573 HB2 ALA 73 2HB ALA 73 15.368 2.222 2.270 574 HB3 ALA 73 3HB ALA 73 14.600 2.572 0.720 575 H HIS 74 H HIS 74 12.103 5.261 2.610 576 HA HIS 74 HA HIS 74 14.045 7.128 1.665 577 HB2 HIS 74 1HB HIS 74 11.594 7.450 1.372 578 HB3 HIS 74 2HB HIS 74 11.426 7.630 3.117 579 HD1 HIS 74 HD1 HIS 74 11.344 9.968 3.867 580 HD2 HIS 74 HD2 HIS 74 13.443 9.573 0.298 581 HE1 HIS 74 HE1 HIS 74 11.999 12.301 3.204 582 HE2 HIS 74 HE2 HIS 74 13.121 12.046 0.963 583 H GLY 75 H GLY 75 15.832 6.830 3.020 584 HA2 GLY 75 1HA GLY 75 17.102 7.898 4.701 585 HA3 GLY 75 2HA GLY 75 15.616 8.249 5.572 586 H ARG 76 H ARG 76 16.246 5.058 4.317 587 HA ARG 76 HA ARG 76 17.237 4.098 6.873 588 HB2 ARG 76 1HB ARG 76 14.482 3.649 5.920 589 HB3 ARG 76 2HB ARG 76 15.316 2.216 6.509 590 HG2 ARG 76 1HG ARG 76 15.862 3.640 8.573 591 HG3 ARG 76 2HG ARG 76 14.595 4.719 7.990 592 HD2 ARG 76 1HD ARG 76 13.034 2.820 7.979 593 HD3 ARG 76 2HD ARG 76 14.299 1.790 8.629 594 HE ARG 76 HE ARG 76 13.619 4.159 10.169 595 HH11 ARG 76 1HH1 ARG 76 13.250 0.710 9.713 596 HH12 ARG 76 2HH1 ARG 76 12.715 0.421 11.337 597 HH21 ARG 76 1HH2 ARG 76 12.883 3.785 12.306 598 HH22 ARG 76 2HH2 ARG 76 12.504 2.169 12.809 599 H ASP 77 H ASP 77 17.658 1.705 6.788 600 HA ASP 77 HA ASP 77 19.265 1.023 4.601 601 HB2 ASP 77 1HB ASP 77 18.059 -0.751 6.730 602 HB3 ASP 77 2HB ASP 77 19.320 -1.247 5.608 603 H ALA 78 H ALA 78 18.497 0.823 2.655 604 HA ALA 78 HA ALA 78 15.936 0.094 1.867 605 HB1 ALA 78 1HB ALA 78 17.522 1.260 0.442 606 HB2 ALA 78 2HB ALA 78 16.898 -0.185 -0.353 607 HB3 ALA 78 3HB ALA 78 18.515 -0.194 0.348 608 H GLU 79 H GLU 79 18.731 -1.902 2.538 609 HA GLU 79 HA GLU 79 17.821 -4.252 1.279 610 HB2 GLU 79 1HB GLU 79 19.758 -3.878 3.559 611 HB3 GLU 79 2HB GLU 79 19.482 -5.412 2.741 612 HG2 GLU 79 1HG GLU 79 20.134 -4.268 0.605 613 HG3 GLU 79 2HG GLU 79 20.634 -2.890 1.581 614 H GLU 80 H GLU 80 17.526 -3.123 4.645 615 HA GLU 80 HA GLU 80 16.090 -5.368 5.586 616 HB2 GLU 80 1HB GLU 80 17.094 -3.832 7.157 617 HB3 GLU 80 2HB GLU 80 16.115 -2.505 6.543 618 HG2 GLU 80 1HG GLU 80 14.104 -3.607 7.338 619 HG3 GLU 80 2HG GLU 80 15.060 -4.957 7.922 620 H VAL 81 H VAL 81 15.114 -2.272 4.224 621 HA VAL 81 HA VAL 81 12.361 -2.491 4.484 622 HB VAL 81 HB VAL 81 13.975 -1.102 2.356 623 HG11 VAL 81 1HG1 VAL 81 11.063 -0.783 3.076 624 HG12 VAL 81 2HG1 VAL 81 11.694 -1.436 1.565 625 HG13 VAL 81 3HG1 VAL 81 11.965 0.258 1.975 626 HG21 VAL 81 1HG2 VAL 81 13.466 0.874 3.758 627 HG22 VAL 81 2HG2 VAL 81 14.484 -0.324 4.546 628 HG23 VAL 81 3HG2 VAL 81 12.773 -0.213 4.961 629 H ARG 82 H ARG 82 14.424 -3.492 1.736 630 HA ARG 82 HA ARG 82 12.434 -4.569 0.111 631 HB2 ARG 82 1HB ARG 82 14.866 -4.224 -0.475 632 HB3 ARG 82 2HB ARG 82 15.210 -5.709 0.400 633 HG2 ARG 82 1HG ARG 82 13.714 -6.930 -1.095 634 HG3 ARG 82 2HG ARG 82 13.411 -5.443 -1.983 635 HD2 ARG 82 1HD ARG 82 15.807 -5.295 -2.505 636 HD3 ARG 82 2HD ARG 82 16.065 -6.827 -1.676 637 HE ARG 82 HE ARG 82 14.514 -7.798 -3.384 638 HH11 ARG 82 1HH1 ARG 82 16.381 -4.913 -4.092 639 HH12 ARG 82 2HH1 ARG 82 16.372 -5.182 -5.806 640 HH21 ARG 82 1HH2 ARG 82 14.505 -8.147 -5.631 641 HH22 ARG 82 2HH2 ARG 82 15.301 -7.013 -6.678 642 H THR 83 H THR 83 14.331 -6.077 2.683 643 HA THR 83 HA THR 83 13.356 -8.679 2.458 644 HB THR 83 HB THR 83 14.429 -7.106 4.794 645 HG1 THR 83 HG1 THR 83 15.457 -8.949 2.929 646 HG21 THR 83 1HG2 THR 83 12.970 -8.838 5.707 647 HG22 THR 83 2HG2 THR 83 14.664 -9.221 6.013 648 HG23 THR 83 3HG2 THR 83 13.790 -10.059 4.731 649 H GLU 84 H GLU 84 12.281 -6.061 4.620 650 HA GLU 84 HA GLU 84 10.148 -7.372 5.820 651 HB2 GLU 84 1HB GLU 84 10.664 -4.467 5.306 652 HB3 GLU 84 2HB GLU 84 9.212 -5.012 6.124 653 HG2 GLU 84 1HG GLU 84 12.013 -5.604 7.019 654 HG3 GLU 84 2HG GLU 84 10.990 -4.330 7.674 655 H VAL 85 H VAL 85 10.171 -5.419 2.856 656 HA VAL 85 HA VAL 85 7.446 -5.560 2.259 657 HB VAL 85 HB VAL 85 9.879 -5.333 0.492 658 HG11 VAL 85 1HG1 VAL 85 8.355 -4.764 -1.355 659 HG12 VAL 85 2HG1 VAL 85 6.984 -5.219 -0.340 660 HG13 VAL 85 3HG1 VAL 85 8.166 -6.436 -0.821 661 HG21 VAL 85 1HG2 VAL 85 9.391 -3.424 1.902 662 HG22 VAL 85 2HG2 VAL 85 7.732 -3.378 1.302 663 HG23 VAL 85 3HG2 VAL 85 9.076 -3.034 0.211 664 H LEU 86 H LEU 86 10.104 -7.698 1.227 665 HA LEU 86 HA LEU 86 8.606 -9.444 -0.341 666 HB2 LEU 86 1HB LEU 86 11.142 -9.882 1.227 667 HB3 LEU 86 2HB LEU 86 10.468 -11.073 0.117 668 HG LEU 86 HG LEU 86 11.203 -8.283 -0.733 669 HD11 LEU 86 1HD1 LEU 86 13.177 -9.402 0.160 670 HD12 LEU 86 2HD1 LEU 86 13.273 -9.236 -1.594 671 HD13 LEU 86 3HD1 LEU 86 12.863 -10.794 -0.876 672 HD21 LEU 86 1HD2 LEU 86 11.249 -9.351 -2.959 673 HD22 LEU 86 2HD2 LEU 86 9.658 -9.397 -2.203 674 HD23 LEU 86 3HD2 LEU 86 10.665 -10.843 -2.222 675 H LYS 87 H LYS 87 9.084 -9.319 3.112 676 HA LYS 87 HA LYS 87 8.041 -11.923 3.675 677 HB2 LYS 87 1HB LYS 87 8.533 -9.484 5.380 678 HB3 LYS 87 2HB LYS 87 7.847 -10.967 6.031 679 HG2 LYS 87 1HG LYS 87 9.809 -12.192 5.602 680 HG3 LYS 87 2HG LYS 87 10.461 -10.928 4.549 681 HD2 LYS 87 1HD LYS 87 11.570 -10.974 6.738 682 HD3 LYS 87 2HD LYS 87 10.729 -9.452 6.463 683 HE2 LYS 87 1HE LYS 87 8.832 -10.327 7.813 684 HE3 LYS 87 2HE LYS 87 9.800 -11.758 8.166 685 HZ1 LYS 87 1HZ LYS 87 11.446 -10.349 9.223 686 HZ2 LYS 87 2HZ LYS 87 9.934 -10.114 9.942 687 HZ3 LYS 87 3HZ LYS 87 10.541 -8.963 8.858 688 H CYS 88 H CYS 88 6.589 -9.144 2.587 689 HA CYS 88 HA CYS 88 3.989 -9.950 3.692 690 HB2 CYS 88 1HB CYS 88 5.103 -7.290 2.904 691 HB3 CYS 88 2HB CYS 88 3.351 -7.558 2.800 692 H VAL 89 H VAL 89 5.884 -9.874 0.880 693 HA VAL 89 HA VAL 89 3.677 -9.736 -0.992 694 HB VAL 89 HB VAL 89 6.577 -10.432 -1.473 695 HG11 VAL 89 1HG1 VAL 89 5.123 -11.302 -3.205 696 HG12 VAL 89 2HG1 VAL 89 6.057 -9.940 -3.825 697 HG13 VAL 89 3HG1 VAL 89 4.361 -9.725 -3.385 698 HG21 VAL 89 1HG2 VAL 89 6.803 -8.159 -2.324 699 HG22 VAL 89 2HG2 VAL 89 6.324 -8.157 -0.629 700 HG23 VAL 89 3HG2 VAL 89 5.131 -7.822 -1.882 701 H ASP 90 H ASP 90 2.575 -11.442 -1.747 702 HA ASP 90 HA ASP 90 3.822 -13.979 -2.127 703 HB2 ASP 90 1HB ASP 90 2.512 -15.345 -0.684 704 HB3 ASP 90 2HB ASP 90 3.115 -14.025 0.316 705 H LYS 91 H LYS 91 1.764 -15.612 -2.652 706 HA LYS 91 HA LYS 91 1.012 -14.588 -5.208 707 HB2 LYS 91 1HB LYS 91 0.007 -17.141 -3.968 708 HB3 LYS 91 2HB LYS 91 0.186 -16.748 -5.671 709 HG2 LYS 91 1HG LYS 91 2.622 -16.673 -5.371 710 HG3 LYS 91 2HG LYS 91 2.399 -17.190 -3.703 711 HD2 LYS 91 1HD LYS 91 2.873 -19.176 -4.814 712 HD3 LYS 91 2HD LYS 91 1.115 -19.178 -4.716 713 HE2 LYS 91 1HE LYS 91 2.697 -18.264 -7.118 714 HE3 LYS 91 2HE LYS 91 2.018 -19.877 -6.930 715 HZ1 LYS 91 1HZ LYS 91 -0.197 -18.769 -6.727 716 HZ2 LYS 91 2HZ LYS 91 0.530 -18.629 -8.244 717 HZ3 LYS 91 3HZ LYS 91 0.543 -17.317 -7.183 718 H ASN 92 H ASN 92 -1.009 -14.391 -6.111 719 HA ASN 92 HA ASN 92 -2.946 -13.169 -4.429 720 HB2 ASN 92 1HB ASN 92 -4.255 -13.171 -6.713 721 HB3 ASN 92 2HB ASN 92 -2.919 -12.078 -6.443 722 HD21 ASN 92 1HD2 ASN 92 -4.166 -14.684 -8.280 723 HD22 ASN 92 2HD2 ASN 92 -2.833 -14.867 -9.366 724 H THR 93 H THR 93 -3.119 -15.300 -3.212 725 HA THR 93 HA THR 93 -4.414 -17.547 -4.301 726 HB THR 93 HB THR 93 -4.829 -18.135 -1.882 727 HG1 THR 93 HG1 THR 93 -4.479 -16.641 -0.402 728 HG21 THR 93 1HG2 THR 93 -2.031 -17.292 -2.628 729 HG22 THR 93 2HG2 THR 93 -2.798 -18.819 -3.057 730 HG23 THR 93 3HG2 THR 93 -2.463 -18.447 -1.368 731 H ASP 94 H ASP 94 -5.700 -14.554 -3.078 732 HA ASP 94 HA ASP 94 -8.374 -15.588 -2.733 733 HB2 ASP 94 1HB ASP 94 -7.184 -12.826 -2.621 734 HB3 ASP 94 2HB ASP 94 -8.936 -13.056 -2.638 735 H ASN 95 H ASN 95 -6.499 -14.797 -5.341 736 HA ASN 95 HA ASN 95 -6.826 -14.424 -7.542 737 HB2 ASN 95 1HB ASN 95 -9.490 -15.689 -6.897 738 HB3 ASN 95 2HB ASN 95 -8.923 -15.366 -8.526 739 HD21 ASN 95 1HD2 ASN 95 -8.611 -17.350 -5.727 740 HD22 ASN 95 2HD2 ASN 95 -7.564 -18.541 -6.438 741 H ASN 96 H ASN 96 -7.618 -12.345 -5.602 742 HA ASN 96 HA ASN 96 -9.351 -10.754 -7.350 743 HB2 ASN 96 1HB ASN 96 -10.798 -11.547 -5.598 744 HB3 ASN 96 2HB ASN 96 -9.625 -11.141 -4.353 745 HD21 ASN 96 1HD2 ASN 96 -12.384 -10.396 -4.535 746 HD22 ASN 96 2HD2 ASN 96 -12.448 -8.667 -4.587 747 H ALA 97 H ALA 97 -8.304 -8.985 -7.920 748 HA ALA 97 HA ALA 97 -5.731 -8.365 -7.004 749 HB1 ALA 97 1HB ALA 97 -7.600 -6.614 -8.590 750 HB2 ALA 97 2HB ALA 97 -6.542 -7.855 -9.259 751 HB3 ALA 97 3HB ALA 97 -5.850 -6.440 -8.468 752 H CYS 98 H CYS 98 -8.874 -7.014 -6.129 753 HA CYS 98 HA CYS 98 -7.890 -4.735 -4.763 754 HB2 CYS 98 1HB CYS 98 -10.443 -6.274 -4.231 755 HB3 CYS 98 2HB CYS 98 -10.068 -4.660 -3.644 756 H HIS 99 H HIS 99 -8.556 -8.048 -3.704 757 HA HIS 99 HA HIS 99 -7.954 -7.422 -0.953 758 HB2 HIS 99 1HB HIS 99 -9.514 -9.295 -1.920 759 HB3 HIS 99 2HB HIS 99 -8.020 -10.218 -2.042 760 HD1 HIS 99 HD1 HIS 99 -10.744 -9.783 0.138 761 HD2 HIS 99 HD2 HIS 99 -6.641 -10.109 0.710 762 HE1 HIS 99 HE1 HIS 99 -10.450 -10.471 2.534 763 HE2 HIS 99 HE2 HIS 99 -7.963 -10.429 2.909 764 H TRP 100 H TRP 100 -6.259 -8.540 -3.748 765 HA TRP 100 HA TRP 100 -4.017 -9.691 -2.449 766 HB2 TRP 100 1HB TRP 100 -4.633 -10.132 -4.816 767 HB3 TRP 100 2HB TRP 100 -4.169 -8.481 -5.224 768 HD1 TRP 100 HD1 TRP 100 -1.848 -10.170 -2.791 769 HE1 TRP 100 HE1 TRP 100 0.321 -10.848 -3.995 770 HE3 TRP 100 HE3 TRP 100 -3.302 -9.347 -7.628 771 HZ2 TRP 100 HZ2 TRP 100 1.287 -11.022 -6.636 772 HZ3 TRP 100 HZ3 TRP 100 -1.696 -9.796 -9.431 773 HH2 TRP 100 HH2 TRP 100 0.549 -10.619 -8.952 774 H ALA 101 H ALA 101 -4.486 -6.528 -4.019 775 HA ALA 101 HA ALA 101 -2.007 -5.424 -3.285 776 HB1 ALA 101 1HB ALA 101 -4.631 -4.069 -3.887 777 HB2 ALA 101 2HB ALA 101 -3.356 -4.456 -5.041 778 HB3 ALA 101 3HB ALA 101 -3.072 -3.250 -3.784 779 H PHE 102 H PHE 102 -5.146 -5.466 -1.707 780 HA PHE 102 HA PHE 102 -4.511 -3.698 0.374 781 HB2 PHE 102 1HB PHE 102 -6.811 -4.278 -0.210 782 HB3 PHE 102 2HB PHE 102 -6.545 -5.928 0.349 783 HD1 PHE 102 HD1 PHE 102 -6.472 -2.391 1.482 784 HD2 PHE 102 HD2 PHE 102 -7.008 -6.470 2.580 785 HE1 PHE 102 HE1 PHE 102 -7.164 -1.690 3.736 786 HE2 PHE 102 HE2 PHE 102 -7.702 -5.775 4.834 787 HZ PHE 102 HZ PHE 102 -7.782 -3.380 5.415 788 H ARG 103 H ARG 103 -4.021 -7.150 -0.054 789 HA ARG 103 HA ARG 103 -3.486 -7.818 2.637 790 HB2 ARG 103 1HB ARG 103 -3.920 -9.509 0.866 791 HB3 ARG 103 2HB ARG 103 -2.358 -9.112 0.159 792 HG2 ARG 103 1HG ARG 103 -1.302 -9.722 2.344 793 HG3 ARG 103 2HG ARG 103 -2.878 -10.309 2.861 794 HD2 ARG 103 1HD ARG 103 -1.258 -11.343 0.526 795 HD3 ARG 103 2HD ARG 103 -1.491 -12.143 2.074 796 HE ARG 103 HE ARG 103 -4.014 -11.866 1.222 797 HH11 ARG 103 1HH1 ARG 103 -1.110 -12.974 -0.352 798 HH12 ARG 103 2HH1 ARG 103 -1.924 -14.151 -1.333 799 HH21 ARG 103 1HH2 ARG 103 -5.127 -13.435 -0.061 800 HH22 ARG 103 2HH2 ARG 103 -4.198 -14.456 -1.121 801 H GLY 104 H GLY 104 -1.388 -6.864 -0.055 802 HA2 GLY 104 1HA GLY 104 1.070 -7.150 1.285 803 HA3 GLY 104 2HA GLY 104 0.775 -6.087 -0.096 804 H PHE 105 H PHE 105 -1.095 -4.379 0.964 805 HA PHE 105 HA PHE 105 0.550 -2.567 2.361 806 HB2 PHE 105 1HB PHE 105 -1.081 -1.692 0.876 807 HB3 PHE 105 2HB PHE 105 -2.375 -2.572 1.673 808 HD1 PHE 105 HD1 PHE 105 -3.849 -1.064 2.627 809 HD2 PHE 105 HD2 PHE 105 0.339 -0.344 2.915 810 HE1 PHE 105 HE1 PHE 105 -4.287 0.914 4.010 811 HE2 PHE 105 HE2 PHE 105 -0.103 1.641 4.297 812 HZ PHE 105 HZ PHE 105 -2.413 2.271 4.849 813 H LYS 106 H LYS 106 -2.202 -4.551 3.325 814 HA LYS 106 HA LYS 106 -2.461 -3.541 5.933 815 HB2 LYS 106 1HB LYS 106 -4.364 -4.595 5.188 816 HB3 LYS 106 2HB LYS 106 -3.492 -5.938 4.465 817 HG2 LYS 106 1HG LYS 106 -4.717 -6.789 6.284 818 HG3 LYS 106 2HG LYS 106 -3.036 -6.723 6.816 819 HD2 LYS 106 1HD LYS 106 -3.451 -4.763 8.112 820 HD3 LYS 106 2HD LYS 106 -5.059 -4.568 7.407 821 HE2 LYS 106 1HE LYS 106 -4.206 -6.927 9.082 822 HE3 LYS 106 2HE LYS 106 -5.062 -5.522 9.715 823 HZ1 LYS 106 1HZ LYS 106 -6.087 -7.323 7.583 824 HZ2 LYS 106 2HZ LYS 106 -6.914 -6.019 8.270 825 HZ3 LYS 106 3HZ LYS 106 -6.551 -7.376 9.205 826 H CYS 107 H CYS 107 -0.710 -6.329 4.636 827 HA CYS 107 HA CYS 107 0.161 -7.410 7.061 828 HB2 CYS 107 1HB CYS 107 0.364 -8.765 5.141 829 HB3 CYS 107 2HB CYS 107 1.248 -7.534 4.249 830 H PHE 108 H PHE 108 1.549 -4.936 4.967 831 HA PHE 108 HA PHE 108 4.054 -4.878 6.339 832 HB2 PHE 108 1HB PHE 108 3.626 -4.319 3.901 833 HB3 PHE 108 2HB PHE 108 2.985 -2.777 4.467 834 HD1 PHE 108 HD1 PHE 108 4.472 -1.095 5.415 835 HD2 PHE 108 HD2 PHE 108 5.965 -4.818 3.985 836 HE1 PHE 108 HE1 PHE 108 6.755 -0.182 5.422 837 HE2 PHE 108 HE2 PHE 108 8.245 -3.908 3.996 838 HZ PHE 108 HZ PHE 108 8.642 -1.589 4.708 839 H GLN 109 H GLN 109 1.240 -2.704 6.202 840 HA GLN 109 HA GLN 109 2.336 -0.753 7.934 841 HB2 GLN 109 1HB GLN 109 0.141 0.229 7.967 842 HB3 GLN 109 2HB GLN 109 0.507 -0.300 6.334 843 HG2 GLN 109 1HG GLN 109 -1.517 -1.218 6.367 844 HG3 GLN 109 2HG GLN 109 -0.804 -2.466 7.394 845 HE21 GLN 109 1HE2 GLN 109 -2.727 -2.849 8.461 846 HE22 GLN 109 2HE2 GLN 109 -3.410 -1.735 9.592 847 H LYS 110 H LYS 110 1.195 -3.837 8.572 848 HA LYS 110 HA LYS 110 -0.099 -3.437 11.046 849 HB2 LYS 110 1HB LYS 110 -0.373 -5.469 9.714 850 HB3 LYS 110 2HB LYS 110 1.319 -5.865 9.954 851 HG2 LYS 110 1HG LYS 110 1.008 -6.279 12.245 852 HG3 LYS 110 2HG LYS 110 -0.610 -5.581 12.226 853 HD2 LYS 110 1HD LYS 110 -1.360 -7.398 10.754 854 HD3 LYS 110 2HD LYS 110 0.258 -8.099 10.812 855 HE2 LYS 110 1HE LYS 110 -1.329 -9.183 12.369 856 HE3 LYS 110 2HE LYS 110 0.069 -8.474 13.177 857 HZ1 LYS 110 1HZ LYS 110 -1.231 -6.639 13.891 858 HZ2 LYS 110 2HZ LYS 110 -2.106 -8.035 14.274 859 HZ3 LYS 110 3HZ LYS 110 -2.550 -7.103 12.939 860 H ASN 111 H ASN 111 3.281 -3.850 10.153 861 HA ASN 111 HA ASN 111 3.956 -3.385 12.978 862 HB2 ASN 111 1HB ASN 111 5.167 -5.254 13.135 863 HB3 ASN 111 2HB ASN 111 4.461 -5.755 11.608 864 HD21 ASN 111 1HD2 ASN 111 5.691 -5.729 9.766 865 HD22 ASN 111 2HD2 ASN 111 7.398 -5.448 9.778 866 H ASN 112 H ASN 112 4.333 -2.436 9.748 867 HA ASN 112 HA ASN 112 6.557 -0.669 10.530 868 HB2 ASN 112 1HB ASN 112 6.222 -2.198 7.947 869 HB3 ASN 112 2HB ASN 112 7.305 -0.810 8.109 870 HD21 ASN 112 1HD2 ASN 112 7.660 -3.774 7.644 871 HD22 ASN 112 2HD2 ASN 112 8.872 -4.240 8.792 872 H LEU 113 H LEU 113 4.197 0.395 10.919 873 HA LEU 113 HA LEU 113 3.162 1.622 8.508 874 HB2 LEU 113 1HB LEU 113 1.546 1.025 10.156 875 HB3 LEU 113 2HB LEU 113 2.397 1.908 11.406 876 HG LEU 113 HG LEU 113 1.858 4.020 10.193 877 HD11 LEU 113 1HD1 LEU 113 0.221 3.999 8.423 878 HD12 LEU 113 2HD1 LEU 113 0.109 2.241 8.509 879 HD13 LEU 113 3HD1 LEU 113 1.603 3.002 7.965 880 HD21 LEU 113 1HD2 LEU 113 0.482 3.212 12.058 881 HD22 LEU 113 2HD2 LEU 113 -0.520 2.313 10.918 882 HD23 LEU 113 3HD2 LEU 113 -0.482 4.076 10.859 883 H SER 114 H SER 114 5.182 2.482 11.215 884 HA SER 114 HA SER 114 5.237 5.270 10.899 885 HB2 SER 114 1HB SER 114 6.139 4.130 12.874 886 HB3 SER 114 2HB SER 114 7.406 3.400 11.891 887 HG SER 114 HG SER 114 8.312 5.169 12.812 888 H LEU 115 H LEU 115 7.024 2.697 9.296 889 HA LEU 115 HA LEU 115 8.886 4.319 7.934 890 HB2 LEU 115 1HB LEU 115 9.094 1.874 8.240 891 HB3 LEU 115 2HB LEU 115 7.762 1.644 7.127 892 HG LEU 115 HG LEU 115 9.101 2.681 5.331 893 HD11 LEU 115 1HD1 LEU 115 11.158 2.806 7.508 894 HD12 LEU 115 2HD1 LEU 115 10.535 4.129 6.525 895 HD13 LEU 115 3HD1 LEU 115 11.569 2.900 5.797 896 HD21 LEU 115 1HD2 LEU 115 9.089 0.248 5.641 897 HD22 LEU 115 2HD2 LEU 115 10.485 0.382 6.711 898 HD23 LEU 115 3HD2 LEU 115 10.631 0.823 5.009 899 H ILE 116 H ILE 116 5.621 3.287 7.263 900 HA ILE 116 HA ILE 116 5.538 4.056 4.543 901 HB ILE 116 HB ILE 116 3.263 3.778 6.521 902 HG12 ILE 116 1HG1 ILE 116 4.460 1.790 4.572 903 HG13 ILE 116 2HG1 ILE 116 4.580 1.723 6.336 904 HG21 ILE 116 1HG2 ILE 116 1.879 3.416 4.510 905 HG22 ILE 116 2HG2 ILE 116 3.270 3.822 3.506 906 HG23 ILE 116 3HG2 ILE 116 2.571 5.039 4.577 907 HD11 ILE 116 1HD1 ILE 116 2.157 1.322 4.615 908 HD12 ILE 116 2HD1 ILE 116 2.062 1.574 6.357 909 HD13 ILE 116 3HD1 ILE 116 2.922 0.175 5.713 910 H LYS 117 H LYS 117 4.795 5.677 7.571 911 HA LYS 117 HA LYS 117 3.756 8.050 6.433 912 HB2 LYS 117 1HB LYS 117 4.940 7.453 9.138 913 HB3 LYS 117 2HB LYS 117 4.283 9.029 8.712 914 HG2 LYS 117 1HG LYS 117 2.106 7.982 8.266 915 HG3 LYS 117 2HG LYS 117 2.763 6.418 8.739 916 HD2 LYS 117 1HD LYS 117 3.195 7.269 10.988 917 HD3 LYS 117 2HD LYS 117 2.584 8.856 10.519 918 HE2 LYS 117 1HE LYS 117 0.383 7.845 10.058 919 HE3 LYS 117 2HE LYS 117 1.007 6.283 10.583 920 HZ1 LYS 117 1HZ LYS 117 -0.216 7.351 12.348 921 HZ2 LYS 117 2HZ LYS 117 0.768 8.721 12.258 922 HZ3 LYS 117 3HZ LYS 117 1.419 7.248 12.775 923 H ALA 118 H ALA 118 6.991 7.005 7.350 924 HA ALA 118 HA ALA 118 8.250 9.533 6.893 925 HB1 ALA 118 1HB ALA 118 9.429 6.768 6.998 926 HB2 ALA 118 2HB ALA 118 9.197 7.847 8.374 927 HB3 ALA 118 3HB ALA 118 10.329 8.284 7.093 928 H SER 119 H SER 119 7.511 6.748 4.949 929 HA SER 119 HA SER 119 9.169 7.107 2.763 930 HB2 SER 119 1HB SER 119 7.739 5.131 3.124 931 HB3 SER 119 2HB SER 119 6.311 6.102 2.783 932 HG SER 119 HG SER 119 8.433 5.852 0.933 933 H ILE 120 H ILE 120 5.965 8.499 3.371 934 HA ILE 120 HA ILE 120 6.076 9.988 0.872 935 HB ILE 120 HB ILE 120 3.781 10.720 1.491 936 HG12 ILE 120 1HG1 ILE 120 4.038 8.755 3.765 937 HG13 ILE 120 2HG1 ILE 120 4.176 10.500 3.971 938 HG21 ILE 120 1HG2 ILE 120 2.729 8.528 1.159 939 HG22 ILE 120 2HG2 ILE 120 4.271 7.752 1.519 940 HG23 ILE 120 3HG2 ILE 120 4.110 8.771 0.090 941 HD11 ILE 120 1HD1 ILE 120 1.897 10.756 3.114 942 HD12 ILE 120 2HD1 ILE 120 1.964 9.748 4.556 943 HD13 ILE 120 3HD1 ILE 120 1.767 9.006 2.969 944 H LYS 121 H LYS 121 7.391 10.494 3.769 945 HA LYS 121 HA LYS 121 6.556 13.243 4.177 946 HB2 LYS 121 1HB LYS 121 6.902 11.786 6.113 947 HB3 LYS 121 2HB LYS 121 8.569 11.517 5.631 948 HG2 LYS 121 1HG LYS 121 8.484 13.107 7.445 949 HG3 LYS 121 2HG LYS 121 9.033 13.916 5.975 950 HD2 LYS 121 1HD LYS 121 6.792 14.815 5.626 951 HD3 LYS 121 2HD LYS 121 6.221 13.977 7.069 952 HE2 LYS 121 1HE LYS 121 8.340 16.120 6.991 953 HE3 LYS 121 2HE LYS 121 6.675 16.335 7.525 954 HZ1 LYS 121 1HZ LYS 121 8.722 14.601 8.798 955 HZ2 LYS 121 2HZ LYS 121 7.104 14.695 9.284 956 HZ3 LYS 121 3HZ LYS 121 8.107 16.050 9.414 957 H LYS 122 H LYS 122 7.499 14.860 3.090 958 HA LYS 122 HA LYS 122 10.096 14.594 1.877 959 HB2 LYS 122 1HB LYS 122 9.135 17.331 2.290 960 HB3 LYS 122 2HB LYS 122 9.668 16.538 0.834 961 HG2 LYS 122 1HG LYS 122 7.485 15.443 0.614 962 HG3 LYS 122 2HG LYS 122 6.930 16.299 2.051 963 HD2 LYS 122 1HD LYS 122 6.152 17.474 0.103 964 HD3 LYS 122 2HD LYS 122 7.395 18.446 0.890 965 HE2 LYS 122 1HE LYS 122 9.039 17.684 -0.738 966 HE3 LYS 122 2HE LYS 122 7.827 16.658 -1.501 967 HZ1 LYS 122 1HZ LYS 122 8.126 18.723 -2.710 968 HZ2 LYS 122 2HZ LYS 122 7.722 19.619 -1.337 969 HZ3 LYS 122 3HZ LYS 122 6.564 18.634 -2.072 970 H ASP 123 H ASP 123 11.621 14.193 3.327 971 HA ASP 123 HA ASP 123 11.699 15.703 5.812 972 HB2 ASP 123 1HB ASP 123 11.937 13.205 5.780 973 HB3 ASP 123 2HB ASP 123 13.478 13.420 4.959 974 H21 ACD 201 H21 ACD 1 -4.658 4.795 1.486 975 H22 ACD 201 H22 ACD 1 -3.542 5.106 2.823 976 H31 ACD 201 H31 ACD 1 -2.164 6.535 1.368 977 H32 ACD 201 H32 ACD 1 -3.290 6.313 0.032 978 H41 ACD 201 H41 ACD 1 -2.813 3.845 0.077 979 H42 ACD 201 H42 ACD 1 -1.364 4.809 -0.254 980 H5 ACD 201 H5 ACD 1 -1.957 3.250 2.322 981 H6 ACD 201 H6 ACD 1 0.315 3.828 2.807 982 H71 ACD 201 H71 ACD 1 0.743 4.891 0.146 983 H72 ACD 201 H72 ACD 1 -0.147 6.163 0.980 984 H8 ACD 201 H8 ACD 1 1.740 6.484 2.596 985 H9 ACD 201 H9 ACD 1 3.846 5.604 1.905 986 H101 ACD 201 H101 ACD 1 2.774 4.813 -0.665 987 H102 ACD 201 H102 ACD 1 2.287 3.509 0.424 988 H11 ACD 201 H11 ACD 1 5.266 4.366 0.278 989 H12 ACD 201 H12 ACD 1 5.572 2.021 0.045 990 H131 ACD 201 H131 ACD 1 2.581 2.034 -0.598 991 H132 ACD 201 H132 ACD 1 3.676 0.655 -0.704 992 H14 ACD 201 H14 ACD 1 2.600 1.752 1.993 993 H15 ACD 201 H15 ACD 1 2.538 -0.581 2.484 994 H161 ACD 201 H161 ACD 1 2.703 -1.304 -0.322 995 H162 ACD 201 H162 ACD 1 4.365 -0.903 0.129 996 H171 ACD 201 H171 ACD 1 4.396 -2.575 1.871 997 H172 ACD 201 H172 ACD 1 2.660 -2.850 1.721 998 H181 ACD 201 H181 ACD 1 4.719 -3.436 -0.447 999 H182 ACD 201 H182 ACD 1 2.983 -3.727 -0.579 1000 H191 ACD 201 H191 ACD 1 4.907 -5.043 1.390 1001 H192 ACD 201 H192 ACD 1 3.156 -5.246 1.450 1002 H201 ACD 201 H201 ACD 1 4.933 -5.983 -0.883 1003 H202 ACD 201 H202 ACD 1 3.215 -6.167 -0.850 1004 H203 ACD 201 H203 ACD 1 4.204 -7.093 0.227 Start of MODEL 20 1 H1 MET 1 1H MET 1 15.410 12.717 -18.354 2 H2 MET 1 2H MET 1 16.198 11.816 -17.158 3 H3 MET 1 3H MET 1 16.168 13.501 -17.065 4 HA MET 1 HA MET 1 13.808 13.508 -16.743 5 HB2 MET 1 1HB MET 1 12.619 11.360 -16.388 6 HB3 MET 1 2HB MET 1 13.219 11.534 -18.030 7 HG2 MET 1 1HG MET 1 15.080 10.064 -17.532 8 HG3 MET 1 2HG MET 1 14.549 9.931 -15.856 9 HE1 MET 1 1HE MET 1 14.600 7.294 -16.005 10 HE2 MET 1 2HE MET 1 15.154 7.399 -17.676 11 HE3 MET 1 3HE MET 1 13.786 6.367 -17.265 12 H GLU 2 H GLU 2 13.539 14.122 -14.702 13 HA GLU 2 HA GLU 2 15.323 13.146 -12.659 14 HB2 GLU 2 1HB GLU 2 13.066 15.136 -12.552 15 HB3 GLU 2 2HB GLU 2 14.123 14.752 -11.203 16 HG2 GLU 2 1HG GLU 2 15.036 15.872 -13.834 17 HG3 GLU 2 2HG GLU 2 14.757 16.818 -12.372 18 H PHE 3 H PHE 3 14.947 11.343 -11.608 19 HA PHE 3 HA PHE 3 12.514 9.936 -11.709 20 HB2 PHE 3 1HB PHE 3 14.634 8.794 -11.323 21 HB3 PHE 3 2HB PHE 3 14.817 9.617 -9.770 22 HD1 PHE 3 HD1 PHE 3 13.953 8.650 -7.830 23 HD2 PHE 3 HD2 PHE 3 12.624 7.275 -11.628 24 HE1 PHE 3 HE1 PHE 3 12.745 6.805 -6.735 25 HE2 PHE 3 HE2 PHE 3 11.408 5.431 -10.541 26 HZ PHE 3 HZ PHE 3 11.468 5.196 -8.090 27 H THR 4 H THR 4 10.727 10.766 -10.918 28 HA THR 4 HA THR 4 10.809 12.201 -8.362 29 HB THR 4 HB THR 4 8.226 12.107 -9.729 30 HG1 THR 4 HG1 THR 4 10.552 12.837 -11.120 31 HG21 THR 4 1HG2 THR 4 8.768 13.595 -7.869 32 HG22 THR 4 2HG2 THR 4 8.320 14.501 -9.313 33 HG23 THR 4 3HG2 THR 4 10.015 14.363 -8.849 34 H VAL 5 H VAL 5 10.475 11.023 -6.658 35 HA VAL 5 HA VAL 5 8.935 8.577 -6.682 36 HB VAL 5 HB VAL 5 9.572 8.266 -4.488 37 HG11 VAL 5 1HG1 VAL 5 11.858 8.894 -4.201 38 HG12 VAL 5 2HG1 VAL 5 11.697 10.164 -5.411 39 HG13 VAL 5 3HG1 VAL 5 11.552 8.473 -5.885 40 HG21 VAL 5 1HG2 VAL 5 9.935 11.229 -4.048 41 HG22 VAL 5 2HG2 VAL 5 9.965 9.951 -2.829 42 HG23 VAL 5 3HG2 VAL 5 8.460 10.349 -3.655 43 H SER 6 H SER 6 6.960 8.243 -5.693 44 HA SER 6 HA SER 6 5.057 10.274 -6.110 45 HB2 SER 6 1HB SER 6 4.787 7.707 -4.523 46 HB3 SER 6 2HB SER 6 3.453 8.690 -5.135 47 HG SER 6 HG SER 6 4.564 6.736 -6.394 48 H THR 7 H THR 7 5.051 12.081 -4.937 49 HA THR 7 HA THR 7 5.941 12.050 -2.181 50 HB THR 7 HB THR 7 5.775 14.499 -2.309 51 HG1 THR 7 HG1 THR 7 4.671 13.937 -4.890 52 HG21 THR 7 1HG2 THR 7 7.487 14.869 -4.010 53 HG22 THR 7 2HG2 THR 7 7.128 13.300 -4.729 54 HG23 THR 7 3HG2 THR 7 7.816 13.391 -3.108 55 H THR 8 H THR 8 4.638 13.694 -0.720 56 HA THR 8 HA THR 8 2.174 12.558 -0.075 57 HB THR 8 HB THR 8 2.652 15.392 0.653 58 HG1 THR 8 HG1 THR 8 4.279 13.647 2.054 59 HG21 THR 8 1HG2 THR 8 0.911 14.069 1.745 60 HG22 THR 8 2HG2 THR 8 2.161 14.523 2.902 61 HG23 THR 8 3HG2 THR 8 2.114 12.885 2.250 62 H GLU 9 H GLU 9 3.047 15.446 -1.880 63 HA GLU 9 HA GLU 9 0.583 16.556 -2.413 64 HB2 GLU 9 1HB GLU 9 2.779 17.557 -2.971 65 HB3 GLU 9 2HB GLU 9 2.958 16.400 -4.280 66 HG2 GLU 9 1HG GLU 9 2.259 18.468 -5.208 67 HG3 GLU 9 2HG GLU 9 0.901 17.348 -5.304 68 H ASP 10 H ASP 10 2.293 14.005 -4.173 69 HA ASP 10 HA ASP 10 0.333 13.751 -6.219 70 HB2 ASP 10 1HB ASP 10 2.364 11.682 -5.340 71 HB3 ASP 10 2HB ASP 10 1.479 11.719 -6.864 72 H LEU 11 H LEU 11 0.910 12.138 -3.141 73 HA LEU 11 HA LEU 11 -0.936 10.061 -3.529 74 HB2 LEU 11 1HB LEU 11 0.815 9.917 -1.864 75 HB3 LEU 11 2HB LEU 11 0.092 11.242 -0.942 76 HG LEU 11 HG LEU 11 -1.914 9.792 -0.606 77 HD11 LEU 11 1HD1 LEU 11 -1.735 7.414 -1.062 78 HD12 LEU 11 2HD1 LEU 11 -0.159 7.665 -1.809 79 HD13 LEU 11 3HD1 LEU 11 -1.606 8.349 -2.551 80 HD21 LEU 11 1HD2 LEU 11 -0.893 8.364 1.083 81 HD22 LEU 11 2HD2 LEU 11 -0.167 9.973 1.104 82 HD23 LEU 11 3HD2 LEU 11 0.694 8.627 0.360 83 H GLN 12 H GLN 12 -1.278 13.309 -2.193 84 HA GLN 12 HA GLN 12 -3.939 12.919 -1.249 85 HB2 GLN 12 1HB GLN 12 -2.528 15.497 -1.953 86 HB3 GLN 12 2HB GLN 12 -4.034 15.368 -1.057 87 HG2 GLN 12 1HG GLN 12 -2.698 13.987 0.629 88 HG3 GLN 12 2HG GLN 12 -1.267 14.613 -0.191 89 HE21 GLN 12 1HE2 GLN 12 -0.796 16.822 -0.057 90 HE22 GLN 12 2HE2 GLN 12 -1.525 17.838 1.138 91 H ARG 13 H ARG 13 -2.530 13.587 -4.285 92 HA ARG 13 HA ARG 13 -4.852 14.656 -5.569 93 HB2 ARG 13 1HB ARG 13 -2.547 15.070 -6.344 94 HB3 ARG 13 2HB ARG 13 -2.381 13.366 -6.737 95 HG2 ARG 13 1HG ARG 13 -4.207 13.599 -8.377 96 HG3 ARG 13 2HG ARG 13 -4.260 15.335 -8.018 97 HD2 ARG 13 1HD ARG 13 -2.003 13.757 -9.237 98 HD3 ARG 13 2HD ARG 13 -2.926 15.067 -9.970 99 HE ARG 13 HE ARG 13 -1.863 16.558 -8.308 100 HH11 ARG 13 1HH1 ARG 13 -0.323 13.508 -9.098 101 HH12 ARG 13 2HH1 ARG 13 1.249 14.015 -8.556 102 HH21 ARG 13 1HH2 ARG 13 0.209 17.228 -7.617 103 HH22 ARG 13 2HH2 ARG 13 1.548 16.129 -7.739 104 H TYR 14 H TYR 14 -3.208 11.503 -5.607 105 HA TYR 14 HA TYR 14 -5.006 10.202 -7.330 106 HB2 TYR 14 1HB TYR 14 -3.366 8.891 -5.153 107 HB3 TYR 14 2HB TYR 14 -3.996 8.140 -6.611 108 HD1 TYR 14 HD1 TYR 14 -3.286 10.175 -8.651 109 HD2 TYR 14 HD2 TYR 14 -1.043 8.644 -5.373 110 HE1 TYR 14 HE1 TYR 14 -1.200 10.680 -9.845 111 HE2 TYR 14 HE2 TYR 14 1.047 9.152 -6.562 112 HH TYR 14 HH TYR 14 1.834 9.499 -8.847 113 H ARG 15 H ARG 15 -5.053 10.758 -3.885 114 HA ARG 15 HA ARG 15 -6.923 8.937 -3.036 115 HB2 ARG 15 1HB ARG 15 -6.043 11.612 -2.156 116 HB3 ARG 15 2HB ARG 15 -7.617 11.123 -1.562 117 HG2 ARG 15 1HG ARG 15 -6.480 8.977 -0.790 118 HG3 ARG 15 2HG ARG 15 -4.954 9.799 -1.129 119 HD2 ARG 15 1HD ARG 15 -5.452 11.514 0.480 120 HD3 ARG 15 2HD ARG 15 -7.083 10.886 0.716 121 HE ARG 15 HE ARG 15 -5.555 8.766 1.360 122 HH11 ARG 15 1HH1 ARG 15 -5.343 12.122 2.368 123 HH12 ARG 15 2HH1 ARG 15 -4.745 11.726 3.948 124 HH21 ARG 15 1HH2 ARG 15 -4.805 8.248 3.409 125 HH22 ARG 15 2HH2 ARG 15 -4.446 9.518 4.547 126 H THR 16 H THR 16 -7.466 12.093 -4.530 127 HA THR 16 HA THR 16 -10.260 12.132 -4.297 128 HB THR 16 HB THR 16 -8.299 13.537 -6.082 129 HG1 THR 16 HG1 THR 16 -10.031 14.395 -3.983 130 HG21 THR 16 1HG2 THR 16 -10.174 14.991 -6.842 131 HG22 THR 16 2HG2 THR 16 -11.303 13.839 -6.126 132 HG23 THR 16 3HG2 THR 16 -10.262 13.341 -7.461 133 H GLU 17 H GLU 17 -8.173 11.222 -7.041 134 HA GLU 17 HA GLU 17 -10.286 10.733 -8.835 135 HB2 GLU 17 1HB GLU 17 -7.710 9.229 -9.097 136 HB3 GLU 17 2HB GLU 17 -8.696 9.969 -10.338 137 HG2 GLU 17 1HG GLU 17 -8.018 12.199 -9.473 138 HG3 GLU 17 2HG GLU 17 -6.876 11.377 -8.406 139 H CYS 18 H CYS 18 -8.555 8.575 -6.625 140 HA CYS 18 HA CYS 18 -9.866 6.220 -7.535 141 HB2 CYS 18 1HB CYS 18 -8.434 6.780 -4.928 142 HB3 CYS 18 2HB CYS 18 -8.976 5.187 -5.470 143 H VAL 19 H VAL 19 -10.545 8.612 -5.059 144 HA VAL 19 HA VAL 19 -12.621 7.193 -3.787 145 HB VAL 19 HB VAL 19 -11.771 10.060 -3.796 146 HG11 VAL 19 1HG1 VAL 19 -14.215 10.158 -3.892 147 HG12 VAL 19 2HG1 VAL 19 -13.611 10.649 -2.307 148 HG13 VAL 19 3HG1 VAL 19 -14.314 9.046 -2.524 149 HG21 VAL 19 1HG2 VAL 19 -12.151 7.953 -1.670 150 HG22 VAL 19 2HG2 VAL 19 -11.621 9.608 -1.365 151 HG23 VAL 19 3HG2 VAL 19 -10.619 8.526 -2.334 152 H SER 20 H SER 20 -12.685 9.777 -6.206 153 HA SER 20 HA SER 20 -15.489 9.804 -6.477 154 HB2 SER 20 1HB SER 20 -13.966 11.661 -7.112 155 HB3 SER 20 2HB SER 20 -13.400 10.699 -8.476 156 HG SER 20 HG SER 20 -15.729 12.127 -8.168 157 H SER 21 H SER 21 -12.962 8.021 -8.215 158 HA SER 21 HA SER 21 -14.698 7.121 -10.299 159 HB2 SER 21 1HB SER 21 -12.258 7.314 -10.605 160 HB3 SER 21 2HB SER 21 -12.009 6.043 -9.408 161 HG SER 21 HG SER 21 -13.563 5.658 -11.747 162 H LEU 22 H LEU 22 -13.471 5.656 -7.290 163 HA LEU 22 HA LEU 22 -14.839 3.176 -7.906 164 HB2 LEU 22 1HB LEU 22 -13.093 4.046 -5.613 165 HB3 LEU 22 2HB LEU 22 -13.861 2.458 -5.688 166 HG LEU 22 HG LEU 22 -11.991 3.490 -7.813 167 HD11 LEU 22 1HD1 LEU 22 -11.388 1.680 -5.480 168 HD12 LEU 22 2HD1 LEU 22 -10.825 3.341 -5.657 169 HD13 LEU 22 3HD1 LEU 22 -10.274 2.099 -6.784 170 HD21 LEU 22 1HD2 LEU 22 -13.521 1.734 -8.513 171 HD22 LEU 22 2HD2 LEU 22 -13.022 0.740 -7.141 172 HD23 LEU 22 3HD2 LEU 22 -11.869 1.127 -8.418 173 H ASN 23 H ASN 23 -16.079 5.917 -6.978 174 HA ASN 23 HA ASN 23 -17.874 6.641 -5.774 175 HB2 ASN 23 1HB ASN 23 -18.915 4.863 -7.158 176 HB3 ASN 23 2HB ASN 23 -18.666 3.726 -5.851 177 HD21 ASN 23 1HD2 ASN 23 -20.864 3.321 -5.696 178 HD22 ASN 23 2HD2 ASN 23 -21.964 4.465 -4.998 179 H ILE 24 H ILE 24 -15.612 6.202 -4.228 180 HA ILE 24 HA ILE 24 -16.169 4.650 -1.908 181 HB ILE 24 HB ILE 24 -14.197 6.922 -2.155 182 HG12 ILE 24 1HG1 ILE 24 -13.838 5.255 -3.947 183 HG13 ILE 24 2HG1 ILE 24 -12.528 5.236 -2.770 184 HG21 ILE 24 1HG2 ILE 24 -14.338 4.549 -0.297 185 HG22 ILE 24 2HG2 ILE 24 -14.606 6.240 0.128 186 HG23 ILE 24 3HG2 ILE 24 -13.005 5.701 -0.374 187 HD11 ILE 24 1HD1 ILE 24 -13.500 3.239 -1.741 188 HD12 ILE 24 2HD1 ILE 24 -13.131 2.993 -3.449 189 HD13 ILE 24 3HD1 ILE 24 -14.796 3.268 -2.939 190 HA PRO 25 HA PRO 25 -19.049 7.611 -0.152 191 HB2 PRO 25 1HB PRO 25 -18.861 5.861 2.193 192 HB3 PRO 25 2HB PRO 25 -20.265 6.282 1.215 193 HG2 PRO 25 1HG PRO 25 -19.135 3.838 1.164 194 HG3 PRO 25 2HG PRO 25 -19.943 4.562 -0.237 195 HD2 PRO 25 1HD PRO 25 -17.024 4.266 0.326 196 HD3 PRO 25 2HD PRO 25 -17.900 4.176 -1.221 197 H ALA 26 H ALA 26 -18.922 9.220 1.276 198 HA ALA 26 HA ALA 26 -16.446 10.308 1.844 199 HB1 ALA 26 1HB ALA 26 -19.076 10.929 3.176 200 HB2 ALA 26 2HB ALA 26 -18.524 11.582 1.632 201 HB3 ALA 26 3HB ALA 26 -17.661 11.981 3.118 202 H ASP 27 H ASP 27 -18.524 8.353 3.921 203 HA ASP 27 HA ASP 27 -17.249 8.883 6.352 204 HB2 ASP 27 1HB ASP 27 -18.345 7.015 7.267 205 HB3 ASP 27 2HB ASP 27 -19.436 7.649 6.047 206 H TYR 28 H TYR 28 -16.468 6.464 3.858 207 HA TYR 28 HA TYR 28 -14.343 5.300 5.287 208 HB2 TYR 28 1HB TYR 28 -15.066 5.404 2.376 209 HB3 TYR 28 2HB TYR 28 -13.562 4.645 2.900 210 HD1 TYR 28 HD1 TYR 28 -17.223 4.467 3.004 211 HD2 TYR 28 HD2 TYR 28 -13.601 2.509 4.048 212 HE1 TYR 28 HE1 TYR 28 -18.480 2.406 3.461 213 HE2 TYR 28 HE2 TYR 28 -14.849 0.442 4.518 214 HH TYR 28 HH TYR 28 -18.087 -0.003 3.574 215 H VAL 29 H VAL 29 -14.536 8.019 3.062 216 HA VAL 29 HA VAL 29 -11.824 8.521 2.678 217 HB VAL 29 HB VAL 29 -14.060 10.533 2.824 218 HG11 VAL 29 1HG1 VAL 29 -12.604 11.862 1.326 219 HG12 VAL 29 2HG1 VAL 29 -11.325 10.670 1.574 220 HG13 VAL 29 3HG1 VAL 29 -11.915 11.626 2.932 221 HG21 VAL 29 1HG2 VAL 29 -14.116 10.268 0.368 222 HG22 VAL 29 2HG2 VAL 29 -14.583 8.807 1.236 223 HG23 VAL 29 3HG2 VAL 29 -12.976 8.929 0.520 224 H GLU 30 H GLU 30 -14.022 9.725 5.210 225 HA GLU 30 HA GLU 30 -12.157 11.347 6.570 226 HB2 GLU 30 1HB GLU 30 -14.351 9.851 7.981 227 HB3 GLU 30 2HB GLU 30 -13.664 11.428 8.348 228 HG2 GLU 30 1HG GLU 30 -14.619 12.276 6.233 229 HG3 GLU 30 2HG GLU 30 -15.453 10.737 6.049 230 H LYS 31 H LYS 31 -12.753 7.907 6.685 231 HA LYS 31 HA LYS 31 -11.229 7.383 9.026 232 HB2 LYS 31 1HB LYS 31 -11.932 5.553 6.727 233 HB3 LYS 31 2HB LYS 31 -11.226 5.041 8.267 234 HG2 LYS 31 1HG LYS 31 -13.207 5.955 9.428 235 HG3 LYS 31 2HG LYS 31 -13.918 6.318 7.854 236 HD2 LYS 31 1HD LYS 31 -13.806 3.933 7.265 237 HD3 LYS 31 2HD LYS 31 -13.133 3.581 8.869 238 HE2 LYS 31 1HE LYS 31 -15.560 3.134 8.766 239 HE3 LYS 31 2HE LYS 31 -15.168 4.397 9.931 240 HZ1 LYS 31 1HZ LYS 31 -15.765 6.036 8.183 241 HZ2 LYS 31 2HZ LYS 31 -17.059 5.079 8.699 242 HZ3 LYS 31 3HZ LYS 31 -16.317 4.758 7.215 243 H PHE 32 H PHE 32 -10.444 7.242 5.567 244 HA PHE 32 HA PHE 32 -7.855 6.227 5.814 245 HB2 PHE 32 1HB PHE 32 -8.843 8.113 3.673 246 HB3 PHE 32 2HB PHE 32 -7.479 7.008 3.552 247 HD1 PHE 32 HD1 PHE 32 -8.778 4.624 4.879 248 HD2 PHE 32 HD2 PHE 32 -10.160 7.315 1.887 249 HE1 PHE 32 HE1 PHE 32 -10.264 2.880 4.003 250 HE2 PHE 32 HE2 PHE 32 -11.650 5.565 1.006 251 HZ PHE 32 HZ PHE 32 -11.701 3.342 2.063 252 H LYS 33 H LYS 33 -9.057 9.519 5.994 253 HA LYS 33 HA LYS 33 -6.540 10.826 6.003 254 HB2 LYS 33 1HB LYS 33 -8.878 11.852 5.669 255 HB3 LYS 33 2HB LYS 33 -9.004 11.823 7.427 256 HG2 LYS 33 1HG LYS 33 -8.299 13.999 6.828 257 HG3 LYS 33 2HG LYS 33 -6.894 13.166 7.513 258 HD2 LYS 33 1HD LYS 33 -6.077 12.697 5.253 259 HD3 LYS 33 2HD LYS 33 -7.476 13.528 4.572 260 HE2 LYS 33 1HE LYS 33 -5.603 15.027 4.537 261 HE3 LYS 33 2HE LYS 33 -6.754 15.592 5.746 262 HZ1 LYS 33 1HZ LYS 33 -5.375 14.555 7.461 263 HZ2 LYS 33 2HZ LYS 33 -4.515 15.720 6.588 264 HZ3 LYS 33 3HZ LYS 33 -4.257 14.077 6.283 265 H LYS 34 H LYS 34 -8.150 8.910 8.316 266 HA LYS 34 HA LYS 34 -6.461 9.937 10.488 267 HB2 LYS 34 1HB LYS 34 -9.068 8.424 10.500 268 HB3 LYS 34 2HB LYS 34 -8.065 8.538 11.941 269 HG2 LYS 34 1HG LYS 34 -9.130 10.911 10.428 270 HG3 LYS 34 2HG LYS 34 -9.931 10.183 11.820 271 HD2 LYS 34 1HD LYS 34 -7.895 10.616 13.162 272 HD3 LYS 34 2HD LYS 34 -7.185 11.432 11.769 273 HE2 LYS 34 1HE LYS 34 -8.141 13.044 13.328 274 HE3 LYS 34 2HE LYS 34 -9.003 13.063 11.791 275 HZ1 LYS 34 1HZ LYS 34 -10.526 13.135 13.667 276 HZ2 LYS 34 2HZ LYS 34 -9.909 11.678 14.258 277 HZ3 LYS 34 3HZ LYS 34 -10.739 11.708 12.787 278 H TRP 35 H TRP 35 -5.912 7.970 8.225 279 HA TRP 35 HA TRP 35 -4.823 6.023 7.837 280 HB2 TRP 35 1HB TRP 35 -3.904 6.603 10.645 281 HB3 TRP 35 2HB TRP 35 -3.266 5.260 9.689 282 HD1 TRP 35 HD1 TRP 35 -3.125 9.048 10.025 283 HE1 TRP 35 HE1 TRP 35 -1.205 9.944 8.561 284 HE3 TRP 35 HE3 TRP 35 -1.960 4.757 7.484 285 HZ2 TRP 35 HZ2 TRP 35 0.555 8.966 6.599 286 HZ3 TRP 35 HZ3 TRP 35 -0.147 4.829 5.826 287 HH2 TRP 35 HH2 TRP 35 1.088 6.885 5.391 288 H GLU 36 H GLU 36 -7.459 5.606 8.433 289 HA GLU 36 HA GLU 36 -7.347 3.043 9.859 290 HB2 GLU 36 1HB GLU 36 -9.613 5.031 9.787 291 HB3 GLU 36 2HB GLU 36 -9.768 3.385 10.387 292 HG2 GLU 36 1HG GLU 36 -7.961 3.933 12.036 293 HG3 GLU 36 2HG GLU 36 -8.113 5.610 11.520 294 H PHE 37 H PHE 37 -7.397 1.512 8.420 295 HA PHE 37 HA PHE 37 -9.077 1.852 6.025 296 HB2 PHE 37 1HB PHE 37 -6.657 0.052 6.339 297 HB3 PHE 37 2HB PHE 37 -7.520 0.400 4.848 298 HD1 PHE 37 HD1 PHE 37 -5.321 1.843 7.440 299 HD2 PHE 37 HD2 PHE 37 -7.019 2.331 3.563 300 HE1 PHE 37 HE1 PHE 37 -3.799 3.728 7.015 301 HE2 PHE 37 HE2 PHE 37 -5.502 4.217 3.138 302 HZ PHE 37 HZ PHE 37 -3.888 4.918 4.864 303 HA PRO 38 HA PRO 38 -11.341 -1.447 8.295 304 HB2 PRO 38 1HB PRO 38 -13.157 -0.874 6.010 305 HB3 PRO 38 2HB PRO 38 -13.524 -1.052 7.737 306 HG2 PRO 38 1HG PRO 38 -13.523 1.357 6.643 307 HG3 PRO 38 2HG PRO 38 -12.800 1.101 8.243 308 HD2 PRO 38 1HD PRO 38 -11.431 1.374 5.581 309 HD3 PRO 38 2HD PRO 38 -10.992 2.094 7.158 310 H GLU 39 H GLU 39 -11.649 -3.568 7.823 311 HA GLU 39 HA GLU 39 -10.275 -4.551 5.481 312 HB2 GLU 39 1HB GLU 39 -9.940 -5.508 7.762 313 HB3 GLU 39 2HB GLU 39 -11.592 -6.102 7.714 314 HG2 GLU 39 1HG GLU 39 -11.092 -7.644 6.007 315 HG3 GLU 39 2HG GLU 39 -9.544 -6.872 5.658 316 H ASP 40 H ASP 40 -11.831 -3.655 4.014 317 HA ASP 40 HA ASP 40 -14.138 -5.388 3.557 318 HB2 ASP 40 1HB ASP 40 -15.734 -3.859 4.003 319 HB3 ASP 40 2HB ASP 40 -14.486 -2.930 4.822 320 H ASP 41 H ASP 41 -15.034 -5.121 1.362 321 HA ASP 41 HA ASP 41 -13.004 -5.155 -0.554 322 HB2 ASP 41 1HB ASP 41 -15.985 -4.842 -0.907 323 HB3 ASP 41 2HB ASP 41 -14.867 -5.003 -2.255 324 H THR 42 H THR 42 -15.189 -2.529 0.340 325 HA THR 42 HA THR 42 -14.702 -0.757 -1.751 326 HB THR 42 HB THR 42 -15.085 0.083 1.112 327 HG1 THR 42 HG1 THR 42 -16.691 -1.345 0.914 328 HG21 THR 42 1HG2 THR 42 -16.444 1.863 0.042 329 HG22 THR 42 2HG2 THR 42 -15.939 1.246 -1.532 330 HG23 THR 42 3HG2 THR 42 -14.742 1.907 -0.417 331 H THR 43 H THR 43 -13.188 -0.770 1.470 332 HA THR 43 HA THR 43 -11.224 1.151 0.986 333 HB THR 43 HB THR 43 -11.065 -1.236 2.835 334 HG1 THR 43 HG1 THR 43 -12.892 -0.011 3.350 335 HG21 THR 43 1HG2 THR 43 -9.559 0.267 4.150 336 HG22 THR 43 2HG2 THR 43 -9.559 1.378 2.778 337 HG23 THR 43 3HG2 THR 43 -8.894 -0.245 2.600 338 H MET 44 H MET 44 -11.242 -2.301 0.335 339 HA MET 44 HA MET 44 -8.464 -2.566 -0.106 340 HB2 MET 44 1HB MET 44 -10.777 -4.263 -1.024 341 HB3 MET 44 2HB MET 44 -9.087 -4.729 -1.180 342 HG2 MET 44 1HG MET 44 -8.869 -4.605 1.271 343 HG3 MET 44 2HG MET 44 -10.583 -4.218 1.379 344 HE1 MET 44 1HE MET 44 -9.344 -6.586 3.029 345 HE2 MET 44 2HE MET 44 -10.567 -7.833 2.766 346 HE3 MET 44 3HE MET 44 -11.055 -6.155 3.025 347 H CYS 45 H CYS 45 -11.206 -2.132 -2.331 348 HA CYS 45 HA CYS 45 -9.589 -2.135 -4.663 349 HB2 CYS 45 1HB CYS 45 -12.363 -1.012 -4.228 350 HB3 CYS 45 2HB CYS 45 -11.577 -1.157 -5.795 351 H TYR 46 H TYR 46 -10.463 0.317 -2.364 352 HA TYR 46 HA TYR 46 -9.659 2.574 -3.833 353 HB2 TYR 46 1HB TYR 46 -10.888 2.998 -1.884 354 HB3 TYR 46 2HB TYR 46 -9.882 1.940 -0.900 355 HD1 TYR 46 HD1 TYR 46 -8.195 2.851 0.415 356 HD2 TYR 46 HD2 TYR 46 -9.784 5.159 -2.790 357 HE1 TYR 46 HE1 TYR 46 -6.910 4.795 1.189 358 HE2 TYR 46 HE2 TYR 46 -8.502 7.112 -2.021 359 HH TYR 46 HH TYR 46 -6.072 6.877 0.441 360 H ILE 47 H ILE 47 -7.917 0.333 -1.738 361 HA ILE 47 HA ILE 47 -5.458 1.675 -1.759 362 HB ILE 47 HB ILE 47 -6.118 -1.211 -1.235 363 HG12 ILE 47 1HG1 ILE 47 -6.996 0.360 0.414 364 HG13 ILE 47 2HG1 ILE 47 -5.678 -0.567 1.123 365 HG21 ILE 47 1HG2 ILE 47 -3.854 -1.435 -0.278 366 HG22 ILE 47 2HG2 ILE 47 -3.458 0.174 -0.887 367 HG23 ILE 47 3HG2 ILE 47 -3.823 -1.129 -2.017 368 HD11 ILE 47 1HD1 ILE 47 -5.445 1.684 1.833 369 HD12 ILE 47 2HD1 ILE 47 -5.626 2.292 0.190 370 HD13 ILE 47 3HD1 ILE 47 -4.179 1.390 0.641 371 H LYS 48 H LYS 48 -6.736 -0.849 -3.949 372 HA LYS 48 HA LYS 48 -4.291 -1.304 -5.252 373 HB2 LYS 48 1HB LYS 48 -6.033 -1.767 -7.293 374 HB3 LYS 48 2HB LYS 48 -5.633 -2.947 -6.064 375 HG2 LYS 48 1HG LYS 48 -7.707 -2.892 -5.224 376 HG3 LYS 48 2HG LYS 48 -7.812 -1.140 -5.335 377 HD2 LYS 48 1HD LYS 48 -9.470 -2.195 -6.774 378 HD3 LYS 48 2HD LYS 48 -8.279 -1.315 -7.728 379 HE2 LYS 48 1HE LYS 48 -7.135 -3.392 -8.256 380 HE3 LYS 48 2HE LYS 48 -8.256 -4.291 -7.234 381 HZ1 LYS 48 1HZ LYS 48 -8.810 -4.426 -9.604 382 HZ2 LYS 48 2HZ LYS 48 -9.026 -2.749 -9.651 383 HZ3 LYS 48 3HZ LYS 48 -10.051 -3.705 -8.708 384 H CYS 49 H CYS 49 -6.977 0.883 -6.045 385 HA CYS 49 HA CYS 49 -5.942 1.942 -8.398 386 HB2 CYS 49 1HB CYS 49 -8.204 2.363 -7.872 387 HB3 CYS 49 2HB CYS 49 -7.808 3.115 -6.329 388 H VAL 50 H VAL 50 -5.589 3.164 -5.059 389 HA VAL 50 HA VAL 50 -4.034 5.394 -5.709 390 HB VAL 50 HB VAL 50 -4.356 3.838 -3.156 391 HG11 VAL 50 1HG1 VAL 50 -2.136 4.851 -3.122 392 HG12 VAL 50 2HG1 VAL 50 -3.224 5.676 -2.005 393 HG13 VAL 50 3HG1 VAL 50 -2.835 6.412 -3.558 394 HG21 VAL 50 1HG2 VAL 50 -5.321 6.540 -4.062 395 HG22 VAL 50 2HG2 VAL 50 -5.621 5.821 -2.478 396 HG23 VAL 50 3HG2 VAL 50 -6.292 5.073 -3.928 397 H PHE 51 H PHE 51 -3.114 2.141 -4.662 398 HA PHE 51 HA PHE 51 -0.351 2.610 -4.512 399 HB2 PHE 51 1HB PHE 51 -2.132 0.259 -4.458 400 HB3 PHE 51 2HB PHE 51 -0.483 -0.055 -4.965 401 HD1 PHE 51 HD1 PHE 51 0.191 -1.351 -3.120 402 HD2 PHE 51 HD2 PHE 51 -1.466 2.522 -2.516 403 HE1 PHE 51 HE1 PHE 51 0.903 -1.417 -0.769 404 HE2 PHE 51 HE2 PHE 51 -0.755 2.460 -0.162 405 HZ PHE 51 HZ PHE 51 0.432 0.491 0.713 406 H ASN 52 H ASN 52 -2.461 1.869 -7.154 407 HA ASN 52 HA ASN 52 -0.401 1.028 -8.969 408 HB2 ASN 52 1HB ASN 52 -2.760 0.321 -9.237 409 HB3 ASN 52 2HB ASN 52 -3.218 2.000 -9.551 410 HD21 ASN 52 1HD2 ASN 52 -0.321 0.335 -10.695 411 HD22 ASN 52 2HD2 ASN 52 -0.715 0.433 -12.375 412 H LYS 53 H LYS 53 -2.183 3.991 -8.320 413 HA LYS 53 HA LYS 53 -1.035 5.520 -10.417 414 HB2 LYS 53 1HB LYS 53 -2.560 6.162 -7.919 415 HB3 LYS 53 2HB LYS 53 -1.870 7.457 -8.891 416 HG2 LYS 53 1HG LYS 53 -3.225 6.827 -10.774 417 HG3 LYS 53 2HG LYS 53 -3.780 5.370 -9.945 418 HD2 LYS 53 1HD LYS 53 -4.909 6.736 -8.273 419 HD3 LYS 53 2HD LYS 53 -4.315 8.205 -9.052 420 HE2 LYS 53 1HE LYS 53 -6.054 6.164 -10.418 421 HE3 LYS 53 2HE LYS 53 -6.678 7.598 -9.607 422 HZ1 LYS 53 1HZ LYS 53 -4.786 7.592 -11.897 423 HZ2 LYS 53 2HZ LYS 53 -5.390 8.973 -11.118 424 HZ3 LYS 53 3HZ LYS 53 -6.437 7.955 -11.979 425 H MET 54 H MET 54 -0.056 4.686 -7.221 426 HA MET 54 HA MET 54 1.943 6.752 -6.997 427 HB2 MET 54 1HB MET 54 1.277 4.329 -5.327 428 HB3 MET 54 2HB MET 54 2.623 5.397 -4.962 429 HG2 MET 54 1HG MET 54 -0.091 6.554 -5.299 430 HG3 MET 54 2HG MET 54 0.289 5.689 -3.813 431 HE1 MET 54 1HE MET 54 2.929 7.804 -2.081 432 HE2 MET 54 2HE MET 54 3.084 6.270 -2.937 433 HE3 MET 54 3HE MET 54 1.677 6.571 -1.914 434 H GLN 55 H GLN 55 1.736 4.180 -8.907 435 HA GLN 55 HA GLN 55 3.099 2.756 -9.972 436 HB2 GLN 55 1HB GLN 55 4.765 5.150 -9.489 437 HB3 GLN 55 2HB GLN 55 5.593 3.706 -10.065 438 HG2 GLN 55 1HG GLN 55 3.260 5.063 -11.386 439 HG3 GLN 55 2HG GLN 55 4.942 5.180 -11.890 440 HE21 GLN 55 1HE2 GLN 55 2.650 4.215 -13.381 441 HE22 GLN 55 2HE2 GLN 55 3.012 2.584 -13.830 442 H LEU 56 H LEU 56 2.601 1.847 -7.537 443 HA LEU 56 HA LEU 56 5.180 0.890 -6.558 444 HB2 LEU 56 1HB LEU 56 3.021 2.300 -5.162 445 HB3 LEU 56 2HB LEU 56 3.622 0.877 -4.297 446 HG LEU 56 HG LEU 56 5.275 3.207 -5.272 447 HD11 LEU 56 1HD1 LEU 56 4.337 2.486 -2.502 448 HD12 LEU 56 2HD1 LEU 56 3.833 3.884 -3.447 449 HD13 LEU 56 3HD1 LEU 56 5.495 3.753 -2.887 450 HD21 LEU 56 1HD2 LEU 56 6.628 1.237 -5.234 451 HD22 LEU 56 2HD2 LEU 56 5.979 0.768 -3.663 452 HD23 LEU 56 3HD2 LEU 56 7.010 2.190 -3.801 453 H PHE 57 H PHE 57 1.975 0.187 -7.499 454 HA PHE 57 HA PHE 57 2.466 -2.659 -7.065 455 HB2 PHE 57 1HB PHE 57 1.050 -2.041 -5.174 456 HB3 PHE 57 2HB PHE 57 -0.072 -1.219 -6.248 457 HD1 PHE 57 HD1 PHE 57 1.161 -4.504 -5.146 458 HD2 PHE 57 HD2 PHE 57 -1.739 -2.415 -7.466 459 HE1 PHE 57 HE1 PHE 57 -0.163 -6.567 -5.351 460 HE2 PHE 57 HE2 PHE 57 -3.063 -4.476 -7.672 461 HZ PHE 57 HZ PHE 57 -2.274 -6.556 -6.615 462 H ASP 58 H ASP 58 1.815 -3.887 -8.723 463 HA ASP 58 HA ASP 58 0.161 -2.626 -10.809 464 HB2 ASP 58 1HB ASP 58 2.453 -2.994 -11.611 465 HB3 ASP 58 2HB ASP 58 2.365 -4.685 -11.132 466 H ASP 59 H ASP 59 -1.528 -3.895 -11.659 467 HA ASP 59 HA ASP 59 -2.513 -5.786 -9.720 468 HB2 ASP 59 1HB ASP 59 -4.589 -5.623 -10.772 469 HB3 ASP 59 2HB ASP 59 -3.893 -4.036 -11.012 470 H THR 60 H THR 60 -0.530 -6.079 -12.367 471 HA THR 60 HA THR 60 -1.304 -8.872 -12.792 472 HB THR 60 HB THR 60 0.364 -6.974 -14.418 473 HG1 THR 60 HG1 THR 60 -2.168 -8.101 -14.562 474 HG21 THR 60 1HG2 THR 60 1.492 -9.162 -14.378 475 HG22 THR 60 2HG2 THR 60 0.833 -8.783 -15.970 476 HG23 THR 60 3HG2 THR 60 -0.002 -9.929 -14.919 477 H GLU 61 H GLU 61 1.749 -6.985 -12.561 478 HA GLU 61 HA GLU 61 3.235 -9.322 -11.809 479 HB2 GLU 61 1HB GLU 61 4.248 -6.511 -11.534 480 HB3 GLU 61 2HB GLU 61 5.138 -7.984 -11.886 481 HG2 GLU 61 1HG GLU 61 4.013 -8.102 -14.075 482 HG3 GLU 61 2HG GLU 61 3.255 -6.551 -13.729 483 H GLY 62 H GLY 62 1.375 -7.104 -10.038 484 HA2 GLY 62 1HA GLY 62 0.895 -7.223 -7.761 485 HA3 GLY 62 2HA GLY 62 2.259 -8.326 -7.562 486 HA PRO 63 HA PRO 63 3.462 -4.388 -5.444 487 HB2 PRO 63 1HB PRO 63 5.129 -6.375 -4.005 488 HB3 PRO 63 2HB PRO 63 4.087 -5.096 -3.362 489 HG2 PRO 63 1HG PRO 63 3.389 -7.684 -3.230 490 HG3 PRO 63 2HG PRO 63 2.190 -6.401 -3.476 491 HD2 PRO 63 1HD PRO 63 3.349 -8.327 -5.452 492 HD3 PRO 63 2HD PRO 63 1.697 -7.671 -5.344 493 H LEU 64 H LEU 64 4.961 -3.226 -6.432 494 HA LEU 64 HA LEU 64 7.116 -4.517 -7.885 495 HB2 LEU 64 1HB LEU 64 6.624 -1.552 -7.603 496 HB3 LEU 64 2HB LEU 64 7.548 -2.375 -8.843 497 HG LEU 64 HG LEU 64 4.561 -2.646 -8.504 498 HD11 LEU 64 1HD1 LEU 64 6.148 -1.037 -10.499 499 HD12 LEU 64 2HD1 LEU 64 5.133 -0.392 -9.209 500 HD13 LEU 64 3HD1 LEU 64 4.404 -1.291 -10.537 501 HD21 LEU 64 1HD2 LEU 64 4.620 -3.777 -10.631 502 HD22 LEU 64 2HD2 LEU 64 5.701 -4.595 -9.493 503 HD23 LEU 64 3HD2 LEU 64 6.366 -3.540 -10.742 504 H VAL 65 H VAL 65 8.411 -5.336 -6.347 505 HA VAL 65 HA VAL 65 8.998 -4.360 -3.863 506 HB VAL 65 HB VAL 65 10.721 -6.096 -5.608 507 HG11 VAL 65 1HG1 VAL 65 10.842 -5.640 -2.627 508 HG12 VAL 65 2HG1 VAL 65 12.053 -5.144 -3.811 509 HG13 VAL 65 3HG1 VAL 65 11.759 -6.857 -3.515 510 HG21 VAL 65 1HG2 VAL 65 8.635 -6.717 -3.533 511 HG22 VAL 65 2HG2 VAL 65 9.714 -7.914 -4.251 512 HG23 VAL 65 3HG2 VAL 65 8.553 -7.054 -5.262 513 H ASP 66 H ASP 66 10.912 -3.824 -6.829 514 HA ASP 66 HA ASP 66 13.058 -2.554 -5.555 515 HB2 ASP 66 1HB ASP 66 13.192 -3.382 -7.840 516 HB3 ASP 66 2HB ASP 66 12.069 -2.133 -8.372 517 H ASN 67 H ASN 67 10.233 -1.078 -7.186 518 HA ASN 67 HA ASN 67 10.833 1.580 -6.532 519 HB2 ASN 67 1HB ASN 67 8.217 0.196 -7.087 520 HB3 ASN 67 2HB ASN 67 8.305 1.910 -6.713 521 HD21 ASN 67 1HD2 ASN 67 7.505 2.492 -8.684 522 HD22 ASN 67 2HD2 ASN 67 8.435 2.389 -10.140 523 H LEU 68 H LEU 68 9.221 -0.962 -4.771 524 HA LEU 68 HA LEU 68 8.140 0.544 -2.682 525 HB2 LEU 68 1HB LEU 68 8.889 -2.325 -3.039 526 HB3 LEU 68 2HB LEU 68 8.442 -1.747 -1.442 527 HG LEU 68 HG LEU 68 6.669 -1.293 -3.825 528 HD11 LEU 68 1HD1 LEU 68 5.419 -3.286 -3.200 529 HD12 LEU 68 2HD1 LEU 68 6.612 -3.655 -1.952 530 HD13 LEU 68 3HD1 LEU 68 7.071 -3.701 -3.653 531 HD21 LEU 68 1HD2 LEU 68 4.947 -1.109 -2.115 532 HD22 LEU 68 2HD2 LEU 68 6.255 0.038 -1.825 533 HD23 LEU 68 3HD2 LEU 68 6.147 -1.436 -0.864 534 H VAL 69 H VAL 69 11.327 -0.920 -3.069 535 HA VAL 69 HA VAL 69 12.266 -0.195 -0.470 536 HB VAL 69 HB VAL 69 13.847 -0.841 -2.953 537 HG11 VAL 69 1HG1 VAL 69 14.619 -0.772 -0.043 538 HG12 VAL 69 2HG1 VAL 69 15.218 0.282 -1.326 539 HG13 VAL 69 3HG1 VAL 69 15.624 -1.434 -1.335 540 HG21 VAL 69 1HG2 VAL 69 13.022 -2.648 -0.692 541 HG22 VAL 69 2HG2 VAL 69 13.969 -3.095 -2.112 542 HG23 VAL 69 3HG2 VAL 69 12.281 -2.621 -2.292 543 H HIS 70 H HIS 70 12.579 1.232 -3.712 544 HA HIS 70 HA HIS 70 14.267 3.370 -3.030 545 HB2 HIS 70 1HB HIS 70 12.271 2.944 -5.227 546 HB3 HIS 70 2HB HIS 70 13.013 4.524 -5.018 547 HD1 HIS 70 HD1 HIS 70 15.396 4.818 -5.812 548 HD2 HIS 70 HD2 HIS 70 14.089 0.877 -6.008 549 HE1 HIS 70 HE1 HIS 70 17.140 3.594 -7.138 550 HE2 HIS 70 HE2 HIS 70 16.255 1.248 -7.370 551 H GLN 71 H GLN 71 10.875 2.910 -2.564 552 HA GLN 71 HA GLN 71 10.349 5.714 -1.999 553 HB2 GLN 71 1HB GLN 71 8.771 4.082 -3.200 554 HB3 GLN 71 2HB GLN 71 8.463 3.401 -1.606 555 HG2 GLN 71 1HG GLN 71 6.723 4.924 -2.057 556 HG3 GLN 71 2HG GLN 71 7.768 5.661 -0.846 557 HE21 GLN 71 1HE2 GLN 71 7.151 7.736 -1.309 558 HE22 GLN 71 2HE2 GLN 71 7.563 8.536 -2.777 559 H LEU 72 H LEU 72 9.927 2.648 -0.250 560 HA LEU 72 HA LEU 72 9.268 3.892 2.184 561 HB2 LEU 72 1HB LEU 72 10.107 1.077 1.542 562 HB3 LEU 72 2HB LEU 72 9.628 1.586 3.148 563 HG LEU 72 HG LEU 72 7.864 1.773 0.707 564 HD11 LEU 72 1HD1 LEU 72 8.325 -0.556 1.263 565 HD12 LEU 72 2HD1 LEU 72 6.662 -0.137 1.679 566 HD13 LEU 72 3HD1 LEU 72 7.886 -0.255 2.943 567 HD21 LEU 72 1HD2 LEU 72 7.195 3.394 2.310 568 HD22 LEU 72 2HD2 LEU 72 7.376 2.249 3.640 569 HD23 LEU 72 3HD2 LEU 72 6.084 2.032 2.458 570 H ALA 73 H ALA 73 12.317 2.427 1.062 571 HA ALA 73 HA ALA 73 13.593 2.647 3.604 572 HB1 ALA 73 1HB ALA 73 15.566 1.858 2.469 573 HB2 ALA 73 2HB ALA 73 14.821 2.178 0.902 574 HB3 ALA 73 3HB ALA 73 14.157 0.931 1.955 575 H HIS 74 H HIS 74 12.595 5.200 2.644 576 HA HIS 74 HA HIS 74 14.827 6.750 1.736 577 HB2 HIS 74 1HB HIS 74 12.441 7.385 1.287 578 HB3 HIS 74 2HB HIS 74 12.264 7.754 3.004 579 HD1 HIS 74 HD1 HIS 74 13.000 10.035 3.767 580 HD2 HIS 74 HD2 HIS 74 14.306 9.133 -0.081 581 HE1 HIS 74 HE1 HIS 74 14.027 12.154 2.881 582 HE2 HIS 74 HE2 HIS 74 14.699 11.615 0.512 583 H GLY 75 H GLY 75 16.526 6.625 3.089 584 HA2 GLY 75 1HA GLY 75 17.778 7.560 4.826 585 HA3 GLY 75 2HA GLY 75 16.284 8.070 5.594 586 H ARG 76 H ARG 76 16.574 4.809 4.514 587 HA ARG 76 HA ARG 76 17.436 3.855 7.121 588 HB2 ARG 76 1HB ARG 76 14.692 3.549 6.041 589 HB3 ARG 76 2HB ARG 76 15.391 2.136 6.823 590 HG2 ARG 76 1HG ARG 76 15.948 3.966 8.677 591 HG3 ARG 76 2HG ARG 76 14.520 4.719 7.964 592 HD2 ARG 76 1HD ARG 76 13.825 3.305 9.782 593 HD3 ARG 76 2HD ARG 76 13.320 2.569 8.260 594 HE ARG 76 HE ARG 76 15.868 1.674 9.291 595 HH11 ARG 76 1HH1 ARG 76 12.414 1.111 9.242 596 HH12 ARG 76 2HH1 ARG 76 12.562 -0.590 9.554 597 HH21 ARG 76 1HH2 ARG 76 16.072 -0.549 9.697 598 HH22 ARG 76 2HH2 ARG 76 14.649 -1.548 9.799 599 H ASP 77 H ASP 77 17.661 1.389 7.066 600 HA ASP 77 HA ASP 77 19.326 0.689 4.916 601 HB2 ASP 77 1HB ASP 77 19.564 -0.282 7.154 602 HB3 ASP 77 2HB ASP 77 18.033 -1.132 6.951 603 H ALA 78 H ALA 78 18.777 0.246 2.972 604 HA ALA 78 HA ALA 78 16.144 -0.217 2.091 605 HB1 ALA 78 1HB ALA 78 17.858 0.875 0.744 606 HB2 ALA 78 2HB ALA 78 17.154 -0.502 -0.100 607 HB3 ALA 78 3HB ALA 78 18.747 -0.645 0.644 608 H GLU 79 H GLU 79 18.745 -2.377 2.940 609 HA GLU 79 HA GLU 79 17.780 -4.626 1.499 610 HB2 GLU 79 1HB GLU 79 19.685 -4.465 3.830 611 HB3 GLU 79 2HB GLU 79 19.362 -5.929 2.909 612 HG2 GLU 79 1HG GLU 79 20.093 -4.637 0.862 613 HG3 GLU 79 2HG GLU 79 20.683 -3.403 1.974 614 H GLU 80 H GLU 80 17.490 -3.626 4.909 615 HA GLU 80 HA GLU 80 15.880 -5.807 5.700 616 HB2 GLU 80 1HB GLU 80 16.961 -4.337 7.329 617 HB3 GLU 80 2HB GLU 80 15.957 -2.992 6.802 618 HG2 GLU 80 1HG GLU 80 13.976 -4.121 7.578 619 HG3 GLU 80 2HG GLU 80 14.910 -5.544 8.000 620 H VAL 81 H VAL 81 15.097 -2.588 4.449 621 HA VAL 81 HA VAL 81 12.326 -2.714 4.588 622 HB VAL 81 HB VAL 81 14.091 -1.311 2.593 623 HG11 VAL 81 1HG1 VAL 81 11.881 -1.558 1.619 624 HG12 VAL 81 2HG1 VAL 81 12.132 0.112 2.128 625 HG13 VAL 81 3HG1 VAL 81 11.138 -0.969 3.107 626 HG21 VAL 81 1HG2 VAL 81 13.524 0.645 3.997 627 HG22 VAL 81 2HG2 VAL 81 14.461 -0.591 4.830 628 HG23 VAL 81 3HG2 VAL 81 12.726 -0.450 5.126 629 H ARG 82 H ARG 82 14.433 -3.606 1.839 630 HA ARG 82 HA ARG 82 12.508 -4.582 0.098 631 HB2 ARG 82 1HB ARG 82 14.952 -4.262 -0.368 632 HB3 ARG 82 2HB ARG 82 15.257 -5.756 0.506 633 HG2 ARG 82 1HG ARG 82 13.763 -6.922 -1.099 634 HG3 ARG 82 2HG ARG 82 13.679 -5.426 -2.022 635 HD2 ARG 82 1HD ARG 82 16.129 -5.462 -2.252 636 HD3 ARG 82 2HD ARG 82 16.167 -7.002 -1.398 637 HE ARG 82 HE ARG 82 14.421 -7.222 -3.585 638 HH11 ARG 82 1HH1 ARG 82 17.844 -6.862 -2.934 639 HH12 ARG 82 2HH1 ARG 82 18.330 -7.700 -4.372 640 HH21 ARG 82 1HH2 ARG 82 15.061 -8.315 -5.467 641 HH22 ARG 82 2HH2 ARG 82 16.748 -8.513 -5.820 642 H THR 83 H THR 83 14.198 -6.192 2.731 643 HA THR 83 HA THR 83 13.234 -8.793 2.272 644 HB THR 83 HB THR 83 14.376 -7.394 4.679 645 HG1 THR 83 HG1 THR 83 15.827 -7.888 3.032 646 HG21 THR 83 1HG2 THR 83 13.582 -10.304 4.499 647 HG22 THR 83 2HG2 THR 83 12.867 -9.088 5.558 648 HG23 THR 83 3HG2 THR 83 14.544 -9.585 5.791 649 H GLU 84 H GLU 84 12.192 -6.292 4.587 650 HA GLU 84 HA GLU 84 10.061 -7.614 5.755 651 HB2 GLU 84 1HB GLU 84 10.456 -4.684 5.215 652 HB3 GLU 84 2HB GLU 84 9.092 -5.304 6.127 653 HG2 GLU 84 1HG GLU 84 11.986 -5.653 6.842 654 HG3 GLU 84 2HG GLU 84 10.872 -4.509 7.581 655 H VAL 85 H VAL 85 10.087 -5.661 2.801 656 HA VAL 85 HA VAL 85 7.363 -5.804 2.191 657 HB VAL 85 HB VAL 85 9.804 -5.558 0.433 658 HG11 VAL 85 1HG1 VAL 85 8.305 -4.949 -1.402 659 HG12 VAL 85 2HG1 VAL 85 6.915 -5.355 -0.393 660 HG13 VAL 85 3HG1 VAL 85 8.050 -6.614 -0.877 661 HG21 VAL 85 1HG2 VAL 85 9.366 -3.666 1.868 662 HG22 VAL 85 2HG2 VAL 85 7.696 -3.590 1.303 663 HG23 VAL 85 3HG2 VAL 85 9.022 -3.243 0.191 664 H LEU 86 H LEU 86 10.044 -7.857 1.059 665 HA LEU 86 HA LEU 86 8.580 -9.552 -0.576 666 HB2 LEU 86 1HB LEU 86 11.152 -9.983 0.930 667 HB3 LEU 86 2HB LEU 86 10.496 -11.156 -0.209 668 HG LEU 86 HG LEU 86 11.095 -8.316 -0.988 669 HD11 LEU 86 1HD1 LEU 86 12.886 -10.729 -1.210 670 HD12 LEU 86 2HD1 LEU 86 13.136 -9.352 -0.136 671 HD13 LEU 86 3HD1 LEU 86 13.208 -9.131 -1.886 672 HD21 LEU 86 1HD2 LEU 86 11.168 -9.322 -3.239 673 HD22 LEU 86 2HD2 LEU 86 9.594 -9.492 -2.464 674 HD23 LEU 86 3HD2 LEU 86 10.694 -10.868 -2.536 675 H LYS 87 H LYS 87 9.083 -9.624 2.877 676 HA LYS 87 HA LYS 87 8.404 -12.258 3.463 677 HB2 LYS 87 1HB LYS 87 8.052 -9.692 4.990 678 HB3 LYS 87 2HB LYS 87 7.491 -11.221 5.648 679 HG2 LYS 87 1HG LYS 87 9.760 -12.116 5.520 680 HG3 LYS 87 2HG LYS 87 10.325 -10.572 4.858 681 HD2 LYS 87 1HD LYS 87 9.606 -9.443 6.909 682 HD3 LYS 87 2HD LYS 87 9.045 -10.979 7.561 683 HE2 LYS 87 1HE LYS 87 11.284 -11.848 7.581 684 HE3 LYS 87 2HE LYS 87 11.891 -10.412 6.758 685 HZ1 LYS 87 1HZ LYS 87 12.311 -10.373 9.155 686 HZ2 LYS 87 2HZ LYS 87 10.647 -10.419 9.453 687 HZ3 LYS 87 3HZ LYS 87 11.330 -9.082 8.665 688 H CYS 88 H CYS 88 6.361 -9.618 2.461 689 HA CYS 88 HA CYS 88 4.055 -11.392 2.859 690 HB2 CYS 88 1HB CYS 88 4.365 -8.514 3.512 691 HB3 CYS 88 2HB CYS 88 2.776 -9.090 2.959 692 H VAL 89 H VAL 89 5.932 -10.439 0.481 693 HA VAL 89 HA VAL 89 3.941 -9.668 -1.440 694 HB VAL 89 HB VAL 89 6.752 -10.707 -1.805 695 HG11 VAL 89 1HG1 VAL 89 4.801 -9.640 -3.835 696 HG12 VAL 89 2HG1 VAL 89 5.457 -11.275 -3.763 697 HG13 VAL 89 3HG1 VAL 89 6.515 -9.915 -4.143 698 HG21 VAL 89 1HG2 VAL 89 5.572 -7.945 -2.049 699 HG22 VAL 89 2HG2 VAL 89 7.237 -8.382 -2.437 700 HG23 VAL 89 3HG2 VAL 89 6.654 -8.517 -0.778 701 H ASP 90 H ASP 90 2.330 -11.088 -1.607 702 HA ASP 90 HA ASP 90 3.003 -13.908 -2.084 703 HB2 ASP 90 1HB ASP 90 0.641 -12.657 -0.712 704 HB3 ASP 90 2HB ASP 90 0.539 -14.287 -1.382 705 H LYS 91 H LYS 91 0.821 -14.925 -3.162 706 HA LYS 91 HA LYS 91 0.729 -13.569 -5.765 707 HB2 LYS 91 1HB LYS 91 -0.123 -16.403 -5.184 708 HB3 LYS 91 2HB LYS 91 0.311 -15.686 -6.732 709 HG2 LYS 91 1HG LYS 91 2.621 -15.487 -6.015 710 HG3 LYS 91 2HG LYS 91 2.201 -16.204 -4.460 711 HD2 LYS 91 1HD LYS 91 1.533 -18.263 -5.579 712 HD3 LYS 91 2HD LYS 91 1.902 -17.544 -7.146 713 HE2 LYS 91 1HE LYS 91 3.735 -18.948 -6.506 714 HE3 LYS 91 2HE LYS 91 4.256 -17.269 -6.402 715 HZ1 LYS 91 1HZ LYS 91 5.019 -18.493 -4.496 716 HZ2 LYS 91 2HZ LYS 91 3.452 -19.001 -4.128 717 HZ3 LYS 91 3HZ LYS 91 3.864 -17.366 -3.996 718 H ASN 92 H ASN 92 -1.277 -13.791 -7.008 719 HA ASN 92 HA ASN 92 -3.483 -12.759 -5.486 720 HB2 ASN 92 1HB ASN 92 -2.833 -11.948 -7.762 721 HB3 ASN 92 2HB ASN 92 -3.367 -13.489 -8.414 722 HD21 ASN 92 1HD2 ASN 92 -4.793 -12.247 -9.724 723 HD22 ASN 92 2HD2 ASN 92 -6.301 -11.683 -9.089 724 H THR 93 H THR 93 -3.546 -14.809 -4.207 725 HA THR 93 HA THR 93 -4.693 -17.151 -5.397 726 HB THR 93 HB THR 93 -4.872 -17.922 -3.026 727 HG1 THR 93 HG1 THR 93 -4.073 -16.573 -1.400 728 HG21 THR 93 1HG2 THR 93 -2.860 -18.375 -4.279 729 HG22 THR 93 2HG2 THR 93 -2.439 -17.974 -2.614 730 HG23 THR 93 3HG2 THR 93 -2.221 -16.778 -3.891 731 H ASP 94 H ASP 94 -5.974 -14.211 -4.269 732 HA ASP 94 HA ASP 94 -8.562 -15.362 -3.582 733 HB2 ASP 94 1HB ASP 94 -7.641 -13.551 -2.175 734 HB3 ASP 94 2HB ASP 94 -7.662 -12.470 -3.572 735 H ASN 95 H ASN 95 -6.948 -14.230 -6.268 736 HA ASN 95 HA ASN 95 -7.502 -13.834 -8.413 737 HB2 ASN 95 1HB ASN 95 -10.149 -14.972 -7.543 738 HB3 ASN 95 2HB ASN 95 -9.791 -14.516 -9.198 739 HD21 ASN 95 1HD2 ASN 95 -10.069 -16.603 -9.926 740 HD22 ASN 95 2HD2 ASN 95 -8.910 -17.859 -9.614 741 H ASN 96 H ASN 96 -7.932 -11.818 -6.282 742 HA ASN 96 HA ASN 96 -9.433 -9.918 -7.907 743 HB2 ASN 96 1HB ASN 96 -11.139 -10.587 -6.392 744 HB3 ASN 96 2HB ASN 96 -10.031 -10.594 -5.022 745 HD21 ASN 96 1HD2 ASN 96 -11.344 -9.252 -3.836 746 HD22 ASN 96 2HD2 ASN 96 -11.543 -7.569 -4.188 747 H ALA 97 H ALA 97 -8.275 -8.131 -8.141 748 HA ALA 97 HA ALA 97 -5.734 -7.868 -6.936 749 HB1 ALA 97 1HB ALA 97 -7.279 -5.806 -8.492 750 HB2 ALA 97 2HB ALA 97 -6.256 -7.057 -9.194 751 HB3 ALA 97 3HB ALA 97 -5.544 -5.802 -8.181 752 H CYS 98 H CYS 98 -8.874 -6.641 -6.055 753 HA CYS 98 HA CYS 98 -7.970 -4.495 -4.432 754 HB2 CYS 98 1HB CYS 98 -10.509 -6.105 -4.115 755 HB3 CYS 98 2HB CYS 98 -10.181 -4.533 -3.400 756 H HIS 99 H HIS 99 -8.622 -7.905 -3.735 757 HA HIS 99 HA HIS 99 -8.021 -7.593 -0.937 758 HB2 HIS 99 1HB HIS 99 -9.572 -9.344 -2.019 759 HB3 HIS 99 2HB HIS 99 -8.102 -10.208 -2.445 760 HD1 HIS 99 HD1 HIS 99 -10.595 -10.594 -0.164 761 HD2 HIS 99 HD2 HIS 99 -6.482 -10.237 0.331 762 HE1 HIS 99 HE1 HIS 99 -10.089 -11.626 2.071 763 HE2 HIS 99 HE2 HIS 99 -7.585 -11.536 2.275 764 H TRP 100 H TRP 100 -6.312 -8.437 -3.842 765 HA TRP 100 HA TRP 100 -4.067 -9.687 -2.670 766 HB2 TRP 100 1HB TRP 100 -4.706 -9.866 -5.072 767 HB3 TRP 100 2HB TRP 100 -4.202 -8.193 -5.302 768 HD1 TRP 100 HD1 TRP 100 -1.815 -9.922 -3.046 769 HE1 TRP 100 HE1 TRP 100 0.293 -10.626 -4.346 770 HE3 TRP 100 HE3 TRP 100 -3.506 -9.179 -7.811 771 HZ2 TRP 100 HZ2 TRP 100 1.121 -10.856 -7.026 772 HZ3 TRP 100 HZ3 TRP 100 -1.998 -9.666 -9.685 773 HH2 TRP 100 HH2 TRP 100 0.268 -10.486 -9.309 774 H ALA 101 H ALA 101 -4.507 -6.379 -3.915 775 HA ALA 101 HA ALA 101 -1.978 -5.431 -3.109 776 HB1 ALA 101 1HB ALA 101 -3.325 -4.341 -4.833 777 HB2 ALA 101 2HB ALA 101 -2.878 -3.210 -3.556 778 HB3 ALA 101 3HB ALA 101 -4.509 -3.877 -3.615 779 H PHE 102 H PHE 102 -5.115 -5.533 -1.538 780 HA PHE 102 HA PHE 102 -4.455 -3.829 0.604 781 HB2 PHE 102 1HB PHE 102 -6.768 -4.378 -0.062 782 HB3 PHE 102 2HB PHE 102 -6.540 -6.012 0.560 783 HD1 PHE 102 HD1 PHE 102 -6.454 -2.435 1.545 784 HD2 PHE 102 HD2 PHE 102 -7.005 -6.462 2.818 785 HE1 PHE 102 HE1 PHE 102 -7.172 -1.634 3.755 786 HE2 PHE 102 HE2 PHE 102 -7.726 -5.663 5.031 787 HZ PHE 102 HZ PHE 102 -7.808 -3.245 5.503 788 H ARG 103 H ARG 103 -3.996 -7.237 0.003 789 HA ARG 103 HA ARG 103 -3.473 -8.107 2.635 790 HB2 ARG 103 1HB ARG 103 -3.864 -9.647 0.723 791 HB3 ARG 103 2HB ARG 103 -2.317 -9.153 0.049 792 HG2 ARG 103 1HG ARG 103 -1.210 -9.991 2.109 793 HG3 ARG 103 2HG ARG 103 -2.772 -10.602 2.640 794 HD2 ARG 103 1HD ARG 103 -1.329 -11.442 0.112 795 HD3 ARG 103 2HD ARG 103 -1.379 -12.354 1.613 796 HE ARG 103 HE ARG 103 -3.963 -12.158 1.114 797 HH11 ARG 103 1HH1 ARG 103 -1.326 -12.850 -1.065 798 HH12 ARG 103 2HH1 ARG 103 -2.254 -13.901 -2.079 799 HH21 ARG 103 1HH2 ARG 103 -5.204 -13.565 -0.209 800 HH22 ARG 103 2HH2 ARG 103 -4.458 -14.340 -1.571 801 H GLY 104 H GLY 104 -1.363 -6.887 0.071 802 HA2 GLY 104 1HA GLY 104 1.070 -7.216 1.493 803 HA3 GLY 104 2HA GLY 104 0.816 -6.172 0.090 804 H PHE 105 H PHE 105 -1.065 -4.420 1.041 805 HA PHE 105 HA PHE 105 0.570 -2.591 2.418 806 HB2 PHE 105 1HB PHE 105 -1.042 -1.720 0.912 807 HB3 PHE 105 2HB PHE 105 -2.353 -2.577 1.707 808 HD1 PHE 105 HD1 PHE 105 -3.822 -1.080 2.681 809 HD2 PHE 105 HD2 PHE 105 0.365 -0.318 2.896 810 HE1 PHE 105 HE1 PHE 105 -4.259 0.923 4.034 811 HE2 PHE 105 HE2 PHE 105 -0.075 1.691 4.247 812 HZ PHE 105 HZ PHE 105 -2.384 2.310 4.821 813 H LYS 106 H LYS 106 -2.121 -4.622 3.435 814 HA LYS 106 HA LYS 106 -2.471 -3.524 5.995 815 HB2 LYS 106 1HB LYS 106 -4.286 -4.771 5.392 816 HB3 LYS 106 2HB LYS 106 -3.327 -6.036 4.627 817 HG2 LYS 106 1HG LYS 106 -2.674 -6.789 6.918 818 HG3 LYS 106 2HG LYS 106 -3.825 -5.611 7.564 819 HD2 LYS 106 1HD LYS 106 -5.648 -6.707 6.413 820 HD3 LYS 106 2HD LYS 106 -4.528 -7.829 5.640 821 HE2 LYS 106 1HE LYS 106 -3.932 -8.733 7.839 822 HE3 LYS 106 2HE LYS 106 -5.062 -7.616 8.603 823 HZ1 LYS 106 1HZ LYS 106 -6.874 -8.673 7.417 824 HZ2 LYS 106 2HZ LYS 106 -6.017 -9.815 8.330 825 HZ3 LYS 106 3HZ LYS 106 -5.791 -9.734 6.656 826 H CYS 107 H CYS 107 -0.568 -6.308 4.883 827 HA CYS 107 HA CYS 107 0.338 -7.134 7.396 828 HB2 CYS 107 1HB CYS 107 0.680 -8.672 5.676 829 HB3 CYS 107 2HB CYS 107 1.400 -7.473 4.605 830 H PHE 108 H PHE 108 1.793 -4.916 5.035 831 HA PHE 108 HA PHE 108 4.232 -4.691 6.436 832 HB2 PHE 108 1HB PHE 108 3.782 -4.224 3.970 833 HB3 PHE 108 2HB PHE 108 3.168 -2.656 4.493 834 HD1 PHE 108 HD1 PHE 108 6.103 -4.728 3.971 835 HD2 PHE 108 HD2 PHE 108 4.700 -1.004 5.491 836 HE1 PHE 108 HE1 PHE 108 8.400 -3.863 3.973 837 HE2 PHE 108 HE2 PHE 108 7.003 -0.138 5.492 838 HZ PHE 108 HZ PHE 108 8.855 -1.569 4.732 839 H GLN 109 H GLN 109 1.342 -2.628 6.296 840 HA GLN 109 HA GLN 109 2.401 -0.579 7.935 841 HB2 GLN 109 1HB GLN 109 0.147 0.274 8.058 842 HB3 GLN 109 2HB GLN 109 0.484 -0.251 6.418 843 HG2 GLN 109 1HG GLN 109 -1.513 -1.233 6.556 844 HG3 GLN 109 2HG GLN 109 -0.667 -2.480 7.477 845 HE21 GLN 109 1HE2 GLN 109 -3.447 -1.656 7.613 846 HE22 GLN 109 2HE2 GLN 109 -3.726 -1.172 9.246 847 H LYS 110 H LYS 110 0.989 -3.645 8.635 848 HA LYS 110 HA LYS 110 0.055 -3.129 11.247 849 HB2 LYS 110 1HB LYS 110 -0.644 -5.054 9.880 850 HB3 LYS 110 2HB LYS 110 0.979 -5.709 9.981 851 HG2 LYS 110 1HG LYS 110 0.762 -5.998 12.359 852 HG3 LYS 110 2HG LYS 110 -0.848 -5.278 12.320 853 HD2 LYS 110 1HD LYS 110 -1.642 -7.090 10.901 854 HD3 LYS 110 2HD LYS 110 -0.023 -7.787 10.857 855 HE2 LYS 110 1HE LYS 110 -0.129 -8.119 13.297 856 HE3 LYS 110 2HE LYS 110 -1.775 -7.485 13.297 857 HZ1 LYS 110 1HZ LYS 110 -2.419 -9.298 11.824 858 HZ2 LYS 110 2HZ LYS 110 -1.783 -9.885 13.274 859 HZ3 LYS 110 3HZ LYS 110 -0.847 -9.914 11.870 860 H ASN 111 H ASN 111 3.204 -3.855 9.943 861 HA ASN 111 HA ASN 111 4.257 -4.059 12.690 862 HB2 ASN 111 1HB ASN 111 5.426 -5.259 10.173 863 HB3 ASN 111 2HB ASN 111 6.099 -5.390 11.794 864 HD21 ASN 111 1HD2 ASN 111 5.035 -6.672 13.331 865 HD22 ASN 111 2HD2 ASN 111 3.906 -7.893 12.864 866 H ASN 112 H ASN 112 4.498 -2.431 9.631 867 HA ASN 112 HA ASN 112 6.692 -0.792 10.699 868 HB2 ASN 112 1HB ASN 112 6.575 -2.018 7.934 869 HB3 ASN 112 2HB ASN 112 7.736 -0.782 8.437 870 HD21 ASN 112 1HD2 ASN 112 7.878 -3.709 7.596 871 HD22 ASN 112 2HD2 ASN 112 8.905 -4.425 8.788 872 H LEU 113 H LEU 113 4.429 0.344 11.026 873 HA LEU 113 HA LEU 113 3.419 1.641 8.646 874 HB2 LEU 113 1HB LEU 113 1.817 1.015 10.305 875 HB3 LEU 113 2HB LEU 113 2.675 1.890 11.553 876 HG LEU 113 HG LEU 113 2.112 4.008 10.351 877 HD11 LEU 113 1HD1 LEU 113 1.803 2.990 8.128 878 HD12 LEU 113 2HD1 LEU 113 0.422 3.971 8.627 879 HD13 LEU 113 3HD1 LEU 113 0.333 2.213 8.714 880 HD21 LEU 113 1HD2 LEU 113 -0.237 4.017 11.055 881 HD22 LEU 113 2HD2 LEU 113 0.797 3.232 12.251 882 HD23 LEU 113 3HD2 LEU 113 -0.202 2.257 11.173 883 H SER 114 H SER 114 5.608 2.340 11.222 884 HA SER 114 HA SER 114 5.605 5.165 11.059 885 HB2 SER 114 1HB SER 114 6.595 3.867 12.955 886 HB3 SER 114 2HB SER 114 7.906 3.370 11.885 887 HG SER 114 HG SER 114 7.248 6.030 12.639 888 H LEU 115 H LEU 115 7.328 2.650 9.313 889 HA LEU 115 HA LEU 115 9.114 4.351 7.928 890 HB2 LEU 115 1HB LEU 115 9.398 1.906 8.207 891 HB3 LEU 115 2HB LEU 115 8.055 1.652 7.110 892 HG LEU 115 HG LEU 115 9.351 2.765 5.316 893 HD11 LEU 115 1HD1 LEU 115 11.491 2.807 7.426 894 HD12 LEU 115 2HD1 LEU 115 10.771 4.192 6.610 895 HD13 LEU 115 3HD1 LEU 115 11.788 3.067 5.710 896 HD21 LEU 115 1HD2 LEU 115 10.779 0.455 6.628 897 HD22 LEU 115 2HD2 LEU 115 10.892 0.931 4.933 898 HD23 LEU 115 3HD2 LEU 115 9.367 0.324 5.579 899 H ILE 116 H ILE 116 5.847 3.246 7.330 900 HA ILE 116 HA ILE 116 5.646 4.125 4.649 901 HB ILE 116 HB ILE 116 3.462 3.736 6.712 902 HG12 ILE 116 1HG1 ILE 116 4.529 1.892 4.557 903 HG13 ILE 116 2HG1 ILE 116 4.760 1.700 6.301 904 HG21 ILE 116 1HG2 ILE 116 1.952 3.544 4.777 905 HG22 ILE 116 2HG2 ILE 116 3.285 3.986 3.710 906 HG23 ILE 116 3HG2 ILE 116 2.682 5.147 4.894 907 HD11 ILE 116 1HD1 ILE 116 2.305 1.468 6.531 908 HD12 ILE 116 2HD1 ILE 116 3.054 0.199 5.561 909 HD13 ILE 116 3HD1 ILE 116 2.179 1.511 4.774 910 H LYS 117 H LYS 117 4.859 5.600 7.760 911 HA LYS 117 HA LYS 117 3.886 8.050 6.772 912 HB2 LYS 117 1HB LYS 117 5.147 7.284 9.396 913 HB3 LYS 117 2HB LYS 117 4.540 8.903 9.078 914 HG2 LYS 117 1HG LYS 117 2.304 8.050 8.769 915 HG3 LYS 117 2HG LYS 117 2.872 6.390 8.932 916 HD2 LYS 117 1HD LYS 117 3.529 6.816 11.237 917 HD3 LYS 117 2HD LYS 117 3.057 8.507 11.081 918 HE2 LYS 117 1HE LYS 117 1.159 6.192 10.741 919 HE3 LYS 117 2HE LYS 117 1.396 7.046 12.262 920 HZ1 LYS 117 1HZ LYS 117 -0.524 7.871 11.059 921 HZ2 LYS 117 2HZ LYS 117 0.443 8.276 9.731 922 HZ3 LYS 117 3HZ LYS 117 0.651 9.077 11.204 923 H ALA 118 H ALA 118 7.105 6.958 7.726 924 HA ALA 118 HA ALA 118 8.482 9.385 7.408 925 HB1 ALA 118 1HB ALA 118 9.540 6.597 7.025 926 HB2 ALA 118 2HB ALA 118 9.356 7.407 8.578 927 HB3 ALA 118 3HB ALA 118 10.484 8.045 7.382 928 H SER 119 H SER 119 7.744 6.795 5.149 929 HA SER 119 HA SER 119 9.346 7.553 3.017 930 HB2 SER 119 1HB SER 119 8.150 5.411 3.145 931 HB3 SER 119 2HB SER 119 6.616 6.249 2.922 932 HG SER 119 HG SER 119 8.755 5.971 1.085 933 H ILE 120 H ILE 120 5.973 8.518 3.708 934 HA ILE 120 HA ILE 120 6.078 10.344 1.443 935 HB ILE 120 HB ILE 120 3.717 10.816 1.892 936 HG12 ILE 120 1HG1 ILE 120 3.869 8.702 4.040 937 HG13 ILE 120 2HG1 ILE 120 3.891 10.432 4.382 938 HG21 ILE 120 1HG2 ILE 120 4.383 7.880 1.777 939 HG22 ILE 120 2HG2 ILE 120 4.320 8.989 0.407 940 HG23 ILE 120 3HG2 ILE 120 2.848 8.605 1.301 941 HD11 ILE 120 1HD1 ILE 120 1.707 10.666 3.324 942 HD12 ILE 120 2HD1 ILE 120 1.669 9.519 4.660 943 HD13 ILE 120 3HD1 ILE 120 1.682 8.936 2.999 944 H LYS 121 H LYS 121 7.068 10.514 4.568 945 HA LYS 121 HA LYS 121 6.288 13.142 5.270 946 HB2 LYS 121 1HB LYS 121 7.324 11.617 6.889 947 HB3 LYS 121 2HB LYS 121 8.814 11.616 5.958 948 HG2 LYS 121 1HG LYS 121 9.100 14.002 6.412 949 HG3 LYS 121 2HG LYS 121 7.593 14.007 7.325 950 HD2 LYS 121 1HD LYS 121 9.203 13.845 8.989 951 HD3 LYS 121 2HD LYS 121 8.714 12.169 8.754 952 HE2 LYS 121 1HE LYS 121 11.086 13.364 7.343 953 HE3 LYS 121 2HE LYS 121 11.213 12.654 8.948 954 HZ1 LYS 121 1HZ LYS 121 10.406 11.277 6.446 955 HZ2 LYS 121 2HZ LYS 121 10.315 10.576 7.982 956 HZ3 LYS 121 3HZ LYS 121 11.813 11.025 7.347 957 H LYS 122 H LYS 122 6.864 15.033 4.360 958 HA LYS 122 HA LYS 122 9.362 15.326 2.975 959 HB2 LYS 122 1HB LYS 122 7.169 14.339 1.514 960 HB3 LYS 122 2HB LYS 122 7.361 16.008 1.036 961 HG2 LYS 122 1HG LYS 122 9.425 15.664 0.108 962 HG3 LYS 122 2HG LYS 122 9.780 14.293 1.155 963 HD2 LYS 122 1HD LYS 122 7.754 14.259 -1.075 964 HD3 LYS 122 2HD LYS 122 9.410 13.672 -1.223 965 HE2 LYS 122 1HE LYS 122 7.256 12.604 0.601 966 HE3 LYS 122 2HE LYS 122 7.937 11.808 -0.815 967 HZ1 LYS 122 1HZ LYS 122 10.101 11.797 0.347 968 HZ2 LYS 122 2HZ LYS 122 8.917 10.882 1.139 969 HZ3 LYS 122 3HZ LYS 122 9.343 12.413 1.729 970 H ASP 123 H ASP 123 10.025 17.264 3.305 971 HA ASP 123 HA ASP 123 8.149 19.394 3.940 972 HB2 ASP 123 1HB ASP 123 10.199 20.657 4.589 973 HB3 ASP 123 2HB ASP 123 10.007 19.148 5.472 974 H21 ACD 201 H21 ACD 1 -4.240 4.527 1.576 975 H22 ACD 201 H22 ACD 1 -3.152 5.196 2.800 976 H31 ACD 201 H31 ACD 1 -1.924 6.454 1.131 977 H32 ACD 201 H32 ACD 1 -3.105 6.075 -0.115 978 H41 ACD 201 H41 ACD 1 -2.495 3.676 -0.003 979 H42 ACD 201 H42 ACD 1 -1.068 4.672 -0.342 980 H5 ACD 201 H5 ACD 1 -1.644 3.141 2.241 981 H6 ACD 201 H6 ACD 1 0.561 3.872 2.800 982 H71 ACD 201 H71 ACD 1 0.981 4.965 0.130 983 H72 ACD 201 H72 ACD 1 0.040 6.189 0.983 984 H8 ACD 201 H8 ACD 1 1.903 6.592 2.568 985 H9 ACD 201 H9 ACD 1 4.024 5.648 2.020 986 H101 ACD 201 H101 ACD 1 3.003 4.722 -0.537 987 H102 ACD 201 H102 ACD 1 2.517 3.478 0.618 988 H11 ACD 201 H11 ACD 1 5.481 4.347 0.538 989 H12 ACD 201 H12 ACD 1 5.812 2.010 0.264 990 H131 ACD 201 H131 ACD 1 2.851 2.026 -0.506 991 H132 ACD 201 H132 ACD 1 3.958 0.655 -0.602 992 H14 ACD 201 H14 ACD 1 2.807 1.681 2.091 993 H15 ACD 201 H15 ACD 1 2.645 -0.663 2.492 994 H161 ACD 201 H161 ACD 1 2.850 -1.311 -0.326 995 H162 ACD 201 H162 ACD 1 4.515 -0.976 0.161 996 H171 ACD 201 H171 ACD 1 4.467 -2.701 1.853 997 H172 ACD 201 H172 ACD 1 2.725 -2.911 1.681 998 H181 ACD 201 H181 ACD 1 4.781 -3.512 -0.489 999 H182 ACD 201 H182 ACD 1 3.038 -3.754 -0.631 1000 H191 ACD 201 H191 ACD 1 4.918 -5.168 1.319 1001 H192 ACD 201 H192 ACD 1 3.163 -5.321 1.366 1002 H201 ACD 201 H201 ACD 1 4.179 -7.175 0.108 1003 H202 ACD 201 H202 ACD 1 4.920 -6.061 -0.989 1004 H203 ACD 201 H203 ACD 1 3.199 -6.214 -0.943 Start of MODEL 21 1 H1 MET 1 1H MET 1 15.603 7.371 -18.054 2 H2 MET 1 2H MET 1 16.398 7.824 -16.632 3 H3 MET 1 3H MET 1 15.233 8.842 -17.310 4 HA MET 1 HA MET 1 13.501 7.280 -16.862 5 HB2 MET 1 1HB MET 1 15.741 5.612 -15.703 6 HB3 MET 1 2HB MET 1 14.034 5.267 -15.483 7 HG2 MET 1 1HG MET 1 15.482 5.329 -18.120 8 HG3 MET 1 2HG MET 1 15.034 3.880 -17.222 9 HE1 MET 1 1HE MET 1 14.234 4.313 -20.282 10 HE2 MET 1 2HE MET 1 12.564 3.748 -20.247 11 HE3 MET 1 3HE MET 1 13.804 2.889 -19.334 12 H GLU 2 H GLU 2 12.665 8.825 -15.574 13 HA GLU 2 HA GLU 2 14.028 9.431 -13.050 14 HB2 GLU 2 1HB GLU 2 11.777 10.900 -14.415 15 HB3 GLU 2 2HB GLU 2 12.598 11.404 -12.949 16 HG2 GLU 2 1HG GLU 2 14.690 11.605 -14.231 17 HG3 GLU 2 2HG GLU 2 13.794 11.192 -15.692 18 H PHE 3 H PHE 3 13.333 8.540 -11.268 19 HA PHE 3 HA PHE 3 10.556 7.622 -11.097 20 HB2 PHE 3 1HB PHE 3 12.234 5.972 -10.469 21 HB3 PHE 3 2HB PHE 3 12.924 7.087 -9.284 22 HD1 PHE 3 HD1 PHE 3 12.034 7.242 -7.111 23 HD2 PHE 3 HD2 PHE 3 9.928 5.101 -10.120 24 HE1 PHE 3 HE1 PHE 3 10.495 6.364 -5.402 25 HE2 PHE 3 HE2 PHE 3 8.384 4.220 -8.418 26 HZ PHE 3 HZ PHE 3 8.666 4.852 -6.056 27 H THR 4 H THR 4 9.113 8.674 -9.916 28 HA THR 4 HA THR 4 10.056 10.892 -8.210 29 HB THR 4 HB THR 4 7.211 10.864 -8.956 30 HG1 THR 4 HG1 THR 4 9.289 11.117 -10.902 31 HG21 THR 4 1HG2 THR 4 7.669 13.231 -9.341 32 HG22 THR 4 2HG2 THR 4 9.389 12.935 -9.093 33 HG23 THR 4 3HG2 THR 4 8.253 12.698 -7.767 34 H VAL 5 H VAL 5 9.843 10.607 -6.118 35 HA VAL 5 HA VAL 5 8.203 8.455 -5.081 36 HB VAL 5 HB VAL 5 9.241 8.696 -3.066 37 HG11 VAL 5 1HG1 VAL 5 11.235 10.128 -4.780 38 HG12 VAL 5 2HG1 VAL 5 10.970 8.386 -4.740 39 HG13 VAL 5 3HG1 VAL 5 11.557 9.221 -3.304 40 HG21 VAL 5 1HG2 VAL 5 10.081 10.789 -2.095 41 HG22 VAL 5 2HG2 VAL 5 8.370 10.891 -2.506 42 HG23 VAL 5 3HG2 VAL 5 9.573 11.655 -3.545 43 H SER 6 H SER 6 6.348 8.612 -3.992 44 HA SER 6 HA SER 6 4.819 11.026 -4.522 45 HB2 SER 6 1HB SER 6 3.904 8.392 -3.346 46 HB3 SER 6 2HB SER 6 2.874 9.670 -3.985 47 HG SER 6 HG SER 6 4.689 8.975 -5.828 48 H THR 7 H THR 7 5.232 12.583 -3.013 49 HA THR 7 HA THR 7 5.479 11.961 -0.213 50 HB THR 7 HB THR 7 5.504 14.399 0.132 51 HG1 THR 7 HG1 THR 7 4.919 14.456 -2.671 52 HG21 THR 7 1HG2 THR 7 7.229 13.537 -2.193 53 HG22 THR 7 2HG2 THR 7 7.586 13.260 -0.488 54 HG23 THR 7 3HG2 THR 7 7.537 14.904 -1.123 55 H THR 8 H THR 8 3.994 13.453 1.297 56 HA THR 8 HA THR 8 1.429 12.407 1.262 57 HB THR 8 HB THR 8 2.134 15.069 2.484 58 HG1 THR 8 HG1 THR 8 2.418 12.774 4.018 59 HG21 THR 8 1HG2 THR 8 -0.213 14.453 2.631 60 HG22 THR 8 2HG2 THR 8 0.542 14.328 4.221 61 HG23 THR 8 3HG2 THR 8 0.224 12.872 3.279 62 H GLU 9 H GLU 9 2.635 15.463 -0.023 63 HA GLU 9 HA GLU 9 0.194 16.632 -0.716 64 HB2 GLU 9 1HB GLU 9 2.895 16.979 -2.007 65 HB3 GLU 9 2HB GLU 9 1.523 18.059 -2.204 66 HG2 GLU 9 1HG GLU 9 1.575 18.557 0.184 67 HG3 GLU 9 2HG GLU 9 2.961 17.487 0.371 68 H ASP 10 H ASP 10 2.231 14.331 -2.384 69 HA ASP 10 HA ASP 10 0.733 14.452 -4.845 70 HB2 ASP 10 1HB ASP 10 2.712 12.343 -3.949 71 HB3 ASP 10 2HB ASP 10 2.124 12.613 -5.586 72 H LEU 11 H LEU 11 0.889 12.440 -1.993 73 HA LEU 11 HA LEU 11 -0.629 10.292 -2.926 74 HB2 LEU 11 1HB LEU 11 0.761 10.099 -0.971 75 HB3 LEU 11 2HB LEU 11 -0.219 11.292 -0.108 76 HG LEU 11 HG LEU 11 -2.133 9.695 -0.263 77 HD11 LEU 11 1HD1 LEU 11 -1.690 7.387 -0.837 78 HD12 LEU 11 2HD1 LEU 11 -0.017 7.787 -1.230 79 HD13 LEU 11 3HD1 LEU 11 -1.335 8.441 -2.203 80 HD21 LEU 11 1HD2 LEU 11 -0.675 9.891 1.733 81 HD22 LEU 11 2HD2 LEU 11 0.311 8.571 1.099 82 HD23 LEU 11 3HD2 LEU 11 -1.374 8.287 1.533 83 H GLN 12 H GLN 12 -1.577 13.318 -1.380 84 HA GLN 12 HA GLN 12 -4.265 12.615 -0.882 85 HB2 GLN 12 1HB GLN 12 -4.642 14.888 -0.372 86 HB3 GLN 12 2HB GLN 12 -2.974 14.582 0.084 87 HG2 GLN 12 1HG GLN 12 -2.279 15.559 -2.101 88 HG3 GLN 12 2HG GLN 12 -3.958 16.018 -2.362 89 HE21 GLN 12 1HE2 GLN 12 -1.614 17.696 -2.131 90 HE22 GLN 12 2HE2 GLN 12 -1.902 18.763 -0.802 91 H ARG 13 H ARG 13 -2.611 13.633 -3.733 92 HA ARG 13 HA ARG 13 -4.877 14.448 -5.246 93 HB2 ARG 13 1HB ARG 13 -2.600 15.110 -5.855 94 HB3 ARG 13 2HB ARG 13 -2.178 13.430 -6.151 95 HG2 ARG 13 1HG ARG 13 -3.876 13.363 -7.949 96 HG3 ARG 13 2HG ARG 13 -4.158 15.095 -7.686 97 HD2 ARG 13 1HD ARG 13 -1.792 15.526 -8.192 98 HD3 ARG 13 2HD ARG 13 -1.558 13.808 -8.511 99 HE ARG 13 HE ARG 13 -3.666 14.865 -10.097 100 HH11 ARG 13 1HH1 ARG 13 -0.171 14.721 -9.861 101 HH12 ARG 13 2HH1 ARG 13 0.077 15.017 -11.552 102 HH21 ARG 13 1HH2 ARG 13 -3.338 15.233 -12.316 103 HH22 ARG 13 2HH2 ARG 13 -1.720 15.306 -12.951 104 H TYR 14 H TYR 14 -2.908 11.487 -5.258 105 HA TYR 14 HA TYR 14 -4.520 10.065 -7.074 106 HB2 TYR 14 1HB TYR 14 -2.781 8.848 -4.923 107 HB3 TYR 14 2HB TYR 14 -3.249 8.128 -6.456 108 HD1 TYR 14 HD1 TYR 14 -2.729 10.180 -8.410 109 HD2 TYR 14 HD2 TYR 14 -0.466 9.141 -4.958 110 HE1 TYR 14 HE1 TYR 14 -0.706 11.087 -9.470 111 HE2 TYR 14 HE2 TYR 14 1.562 10.052 -6.007 112 HH TYR 14 HH TYR 14 1.494 12.027 -8.726 113 H ARG 15 H ARG 15 -4.596 10.401 -3.594 114 HA ARG 15 HA ARG 15 -6.372 8.352 -2.997 115 HB2 ARG 15 1HB ARG 15 -5.662 9.096 -1.011 116 HB3 ARG 15 2HB ARG 15 -5.277 10.685 -1.645 117 HG2 ARG 15 1HG ARG 15 -7.684 11.299 -1.386 118 HG3 ARG 15 2HG ARG 15 -7.964 9.711 -0.662 119 HD2 ARG 15 1HD ARG 15 -6.178 11.903 0.411 120 HD3 ARG 15 2HD ARG 15 -7.700 11.341 1.103 121 HE ARG 15 HE ARG 15 -6.165 9.101 1.063 122 HH11 ARG 15 1HH1 ARG 15 -5.686 12.336 2.346 123 HH12 ARG 15 2HH1 ARG 15 -4.624 11.802 3.610 124 HH21 ARG 15 1HH2 ARG 15 -4.783 8.407 2.731 125 HH22 ARG 15 2HH2 ARG 15 -4.115 9.583 3.833 126 H THR 16 H THR 16 -6.976 11.749 -3.818 127 HA THR 16 HA THR 16 -9.789 11.610 -3.578 128 HB THR 16 HB THR 16 -8.054 13.532 -5.129 129 HG1 THR 16 HG1 THR 16 -7.536 14.015 -3.114 130 HG21 THR 16 1HG2 THR 16 -10.918 13.834 -4.216 131 HG22 THR 16 2HG2 THR 16 -10.402 13.556 -5.880 132 HG23 THR 16 3HG2 THR 16 -9.955 15.051 -5.055 133 H GLU 17 H GLU 17 -7.579 11.381 -6.341 134 HA GLU 17 HA GLU 17 -9.496 11.214 -8.356 135 HB2 GLU 17 1HB GLU 17 -6.646 10.670 -8.095 136 HB3 GLU 17 2HB GLU 17 -7.423 9.644 -9.275 137 HG2 GLU 17 1HG GLU 17 -6.546 11.621 -10.345 138 HG3 GLU 17 2HG GLU 17 -8.309 11.621 -10.417 139 H CYS 18 H CYS 18 -8.058 8.645 -6.393 140 HA CYS 18 HA CYS 18 -9.483 6.561 -7.723 141 HB2 CYS 18 1HB CYS 18 -8.041 6.618 -5.070 142 HB3 CYS 18 2HB CYS 18 -8.784 5.169 -5.764 143 H VAL 19 H VAL 19 -10.074 8.562 -4.893 144 HA VAL 19 HA VAL 19 -12.291 7.202 -3.881 145 HB VAL 19 HB VAL 19 -11.366 10.037 -3.680 146 HG11 VAL 19 1HG1 VAL 19 -13.221 10.567 -2.192 147 HG12 VAL 19 2HG1 VAL 19 -13.955 9.001 -2.537 148 HG13 VAL 19 3HG1 VAL 19 -13.793 10.204 -3.822 149 HG21 VAL 19 1HG2 VAL 19 -11.286 9.435 -1.278 150 HG22 VAL 19 2HG2 VAL 19 -10.263 8.427 -2.294 151 HG23 VAL 19 3HG2 VAL 19 -11.804 7.804 -1.708 152 H SER 20 H SER 20 -12.145 9.976 -6.061 153 HA SER 20 HA SER 20 -14.888 10.219 -6.533 154 HB2 SER 20 1HB SER 20 -13.301 11.979 -7.053 155 HB3 SER 20 2HB SER 20 -12.506 10.958 -8.248 156 HG SER 20 HG SER 20 -15.173 11.938 -8.367 157 H SER 21 H SER 21 -12.465 8.173 -8.075 158 HA SER 21 HA SER 21 -14.145 7.517 -10.313 159 HB2 SER 21 1HB SER 21 -11.640 7.604 -10.394 160 HB3 SER 21 2HB SER 21 -11.606 6.154 -9.395 161 HG SER 21 HG SER 21 -12.787 6.407 -11.969 162 H LEU 22 H LEU 22 -13.026 5.779 -7.391 163 HA LEU 22 HA LEU 22 -14.534 3.433 -8.148 164 HB2 LEU 22 1HB LEU 22 -12.789 4.098 -5.791 165 HB3 LEU 22 2HB LEU 22 -13.664 2.570 -5.926 166 HG LEU 22 HG LEU 22 -11.678 3.531 -7.978 167 HD11 LEU 22 1HD1 LEU 22 -10.135 1.907 -6.949 168 HD12 LEU 22 2HD1 LEU 22 -11.299 1.662 -5.644 169 HD13 LEU 22 3HD1 LEU 22 -10.536 3.235 -5.860 170 HD21 LEU 22 1HD2 LEU 22 -12.856 0.813 -7.429 171 HD22 LEU 22 2HD2 LEU 22 -11.732 1.234 -8.723 172 HD23 LEU 22 3HD2 LEU 22 -13.365 1.899 -8.722 173 H ASN 23 H ASN 23 -15.645 6.187 -7.092 174 HA ASN 23 HA ASN 23 -17.440 6.933 -5.904 175 HB2 ASN 23 1HB ASN 23 -18.268 4.058 -6.257 176 HB3 ASN 23 2HB ASN 23 -19.311 5.295 -5.587 177 HD21 ASN 23 1HD2 ASN 23 -20.108 6.911 -6.907 178 HD22 ASN 23 2HD2 ASN 23 -20.077 6.777 -8.637 179 H ILE 24 H ILE 24 -15.184 6.259 -4.368 180 HA ILE 24 HA ILE 24 -15.902 4.781 -2.054 181 HB ILE 24 HB ILE 24 -13.770 6.903 -2.227 182 HG12 ILE 24 1HG1 ILE 24 -13.520 5.292 -4.100 183 HG13 ILE 24 2HG1 ILE 24 -12.208 5.162 -2.930 184 HG21 ILE 24 1HG2 ILE 24 -14.053 4.447 -0.501 185 HG22 ILE 24 2HG2 ILE 24 -14.267 6.120 0.017 186 HG23 ILE 24 3HG2 ILE 24 -12.678 5.550 -0.493 187 HD11 ILE 24 1HD1 ILE 24 -14.584 3.327 -3.140 188 HD12 ILE 24 2HD1 ILE 24 -13.265 3.180 -1.976 189 HD13 ILE 24 3HD1 ILE 24 -12.948 2.982 -3.702 190 HA PRO 25 HA PRO 25 -18.525 7.942 -0.228 191 HB2 PRO 25 1HB PRO 25 -18.185 6.277 2.170 192 HB3 PRO 25 2HB PRO 25 -19.660 6.759 1.332 193 HG2 PRO 25 1HG PRO 25 -18.695 4.248 1.243 194 HG3 PRO 25 2HG PRO 25 -19.595 4.984 -0.092 195 HD2 PRO 25 1HD PRO 25 -16.669 4.475 0.167 196 HD3 PRO 25 2HD PRO 25 -17.702 4.468 -1.282 197 H ALA 26 H ALA 26 -18.129 9.683 0.958 198 HA ALA 26 HA ALA 26 -15.521 10.492 1.522 199 HB1 ALA 26 1HB ALA 26 -17.396 12.008 1.098 200 HB2 ALA 26 2HB ALA 26 -16.537 12.420 2.584 201 HB3 ALA 26 3HB ALA 26 -18.086 11.579 2.662 202 H ASP 27 H ASP 27 -17.931 8.989 3.567 203 HA ASP 27 HA ASP 27 -16.818 9.359 6.078 204 HB2 ASP 27 1HB ASP 27 -18.431 7.112 4.911 205 HB3 ASP 27 2HB ASP 27 -17.841 7.031 6.566 206 H TYR 28 H TYR 28 -16.086 6.782 3.720 207 HA TYR 28 HA TYR 28 -14.128 5.516 5.280 208 HB2 TYR 28 1HB TYR 28 -14.816 5.523 2.379 209 HB3 TYR 28 2HB TYR 28 -13.276 4.825 2.874 210 HD1 TYR 28 HD1 TYR 28 -16.863 4.343 2.733 211 HD2 TYR 28 HD2 TYR 28 -13.258 2.898 4.465 212 HE1 TYR 28 HE1 TYR 28 -17.985 2.233 3.291 213 HE2 TYR 28 HE2 TYR 28 -14.375 0.784 5.032 214 HH TYR 28 HH TYR 28 -17.268 -0.175 3.711 215 H VAL 29 H VAL 29 -13.981 8.211 3.042 216 HA VAL 29 HA VAL 29 -11.216 8.415 2.716 217 HB VAL 29 HB VAL 29 -13.249 10.637 2.739 218 HG11 VAL 29 1HG1 VAL 29 -11.623 11.769 1.246 219 HG12 VAL 29 2HG1 VAL 29 -10.470 10.476 1.588 220 HG13 VAL 29 3HG1 VAL 29 -11.021 11.536 2.886 221 HG21 VAL 29 1HG2 VAL 29 -13.226 10.291 0.281 222 HG22 VAL 29 2HG2 VAL 29 -13.897 8.936 1.189 223 HG23 VAL 29 3HG2 VAL 29 -12.260 8.839 0.545 224 H GLU 30 H GLU 30 -13.353 9.851 5.171 225 HA GLU 30 HA GLU 30 -11.384 11.334 6.551 226 HB2 GLU 30 1HB GLU 30 -13.755 10.087 7.917 227 HB3 GLU 30 2HB GLU 30 -12.950 11.617 8.252 228 HG2 GLU 30 1HG GLU 30 -13.739 12.467 6.085 229 HG3 GLU 30 2HG GLU 30 -14.657 10.982 5.873 230 H LYS 31 H LYS 31 -12.276 7.963 6.675 231 HA LYS 31 HA LYS 31 -10.800 7.283 9.003 232 HB2 LYS 31 1HB LYS 31 -11.541 5.557 6.633 233 HB3 LYS 31 2HB LYS 31 -10.887 4.970 8.169 234 HG2 LYS 31 1HG LYS 31 -12.874 5.893 9.315 235 HG3 LYS 31 2HG LYS 31 -13.534 6.336 7.740 236 HD2 LYS 31 1HD LYS 31 -13.431 3.966 7.056 237 HD3 LYS 31 2HD LYS 31 -12.840 3.551 8.676 238 HE2 LYS 31 1HE LYS 31 -15.469 4.942 8.167 239 HE3 LYS 31 2HE LYS 31 -15.307 3.192 8.332 240 HZ1 LYS 31 1HZ LYS 31 -15.941 4.211 10.418 241 HZ2 LYS 31 2HZ LYS 31 -14.575 5.206 10.389 242 HZ3 LYS 31 3HZ LYS 31 -14.398 3.531 10.548 243 H PHE 32 H PHE 32 -10.048 7.011 5.541 244 HA PHE 32 HA PHE 32 -7.507 5.921 5.770 245 HB2 PHE 32 1HB PHE 32 -8.424 7.823 3.613 246 HB3 PHE 32 2HB PHE 32 -7.142 6.623 3.486 247 HD1 PHE 32 HD1 PHE 32 -8.644 4.398 4.945 248 HD2 PHE 32 HD2 PHE 32 -9.762 7.051 1.814 249 HE1 PHE 32 HE1 PHE 32 -10.269 2.746 4.131 250 HE2 PHE 32 HE2 PHE 32 -11.391 5.400 0.996 251 HZ PHE 32 HZ PHE 32 -11.644 3.241 2.151 252 H LYS 33 H LYS 33 -8.508 9.298 5.716 253 HA LYS 33 HA LYS 33 -5.928 10.447 5.685 254 HB2 LYS 33 1HB LYS 33 -8.290 11.490 5.268 255 HB3 LYS 33 2HB LYS 33 -8.273 11.761 7.008 256 HG2 LYS 33 1HG LYS 33 -6.296 13.103 6.852 257 HG3 LYS 33 2HG LYS 33 -6.133 12.730 5.127 258 HD2 LYS 33 1HD LYS 33 -8.249 13.868 4.679 259 HD3 LYS 33 2HD LYS 33 -8.435 14.221 6.397 260 HE2 LYS 33 1HE LYS 33 -6.426 15.585 6.357 261 HE3 LYS 33 2HE LYS 33 -6.166 15.184 4.659 262 HZ1 LYS 33 1HZ LYS 33 -8.479 16.691 5.754 263 HZ2 LYS 33 2HZ LYS 33 -8.258 16.286 4.128 264 HZ3 LYS 33 3HZ LYS 33 -7.184 17.350 4.886 265 H LYS 34 H LYS 34 -7.683 8.861 8.165 266 HA LYS 34 HA LYS 34 -5.866 9.950 10.215 267 HB2 LYS 34 1HB LYS 34 -7.536 9.755 11.780 268 HB3 LYS 34 2HB LYS 34 -8.510 10.010 10.352 269 HG2 LYS 34 1HG LYS 34 -8.670 7.476 10.181 270 HG3 LYS 34 2HG LYS 34 -8.044 7.447 11.830 271 HD2 LYS 34 1HD LYS 34 -10.563 8.804 10.869 272 HD3 LYS 34 2HD LYS 34 -10.456 7.371 11.893 273 HE2 LYS 34 1HE LYS 34 -9.465 8.662 13.671 274 HE3 LYS 34 2HE LYS 34 -9.389 10.089 12.643 275 HZ1 LYS 34 1HZ LYS 34 -11.880 8.744 13.537 276 HZ2 LYS 34 2HZ LYS 34 -11.798 10.126 12.563 277 HZ3 LYS 34 3HZ LYS 34 -11.260 10.186 14.166 278 H TRP 35 H TRP 35 -5.655 7.740 8.124 279 HA TRP 35 HA TRP 35 -4.500 5.826 7.870 280 HB2 TRP 35 1HB TRP 35 -3.672 6.428 10.706 281 HB3 TRP 35 2HB TRP 35 -2.994 5.098 9.756 282 HD1 TRP 35 HD1 TRP 35 -2.747 8.824 10.278 283 HE1 TRP 35 HE1 TRP 35 -0.867 9.782 8.802 284 HE3 TRP 35 HE3 TRP 35 -1.824 4.714 7.383 285 HZ2 TRP 35 HZ2 TRP 35 0.789 8.905 6.697 286 HZ3 TRP 35 HZ3 TRP 35 -0.078 4.855 5.662 287 HH2 TRP 35 HH2 TRP 35 1.206 6.902 5.321 288 H GLU 36 H GLU 36 -7.165 5.519 8.386 289 HA GLU 36 HA GLU 36 -7.184 2.968 9.840 290 HB2 GLU 36 1HB GLU 36 -9.243 5.136 9.772 291 HB3 GLU 36 2HB GLU 36 -9.699 3.469 10.099 292 HG2 GLU 36 1HG GLU 36 -7.713 5.091 11.664 293 HG3 GLU 36 2HG GLU 36 -9.372 4.751 12.145 294 H PHE 37 H PHE 37 -7.316 1.364 8.487 295 HA PHE 37 HA PHE 37 -8.983 1.671 6.074 296 HB2 PHE 37 1HB PHE 37 -6.548 -0.113 6.330 297 HB3 PHE 37 2HB PHE 37 -7.447 0.250 4.859 298 HD1 PHE 37 HD1 PHE 37 -6.990 2.225 3.600 299 HD2 PHE 37 HD2 PHE 37 -5.168 1.631 7.401 300 HE1 PHE 37 HE1 PHE 37 -5.488 4.124 3.174 301 HE2 PHE 37 HE2 PHE 37 -3.655 3.524 6.975 302 HZ PHE 37 HZ PHE 37 -3.815 4.776 4.863 303 HA PRO 38 HA PRO 38 -11.059 -1.596 8.571 304 HB2 PRO 38 1HB PRO 38 -13.149 -0.923 6.576 305 HB3 PRO 38 2HB PRO 38 -13.270 -1.087 8.338 306 HG2 PRO 38 1HG PRO 38 -13.339 1.319 7.225 307 HG3 PRO 38 2HG PRO 38 -12.428 1.043 8.723 308 HD2 PRO 38 1HD PRO 38 -11.395 1.257 5.905 309 HD3 PRO 38 2HD PRO 38 -10.741 1.973 7.412 310 H GLU 39 H GLU 39 -11.608 -3.678 8.074 311 HA GLU 39 HA GLU 39 -10.559 -4.775 5.653 312 HB2 GLU 39 1HB GLU 39 -10.474 -5.924 7.855 313 HB3 GLU 39 2HB GLU 39 -12.219 -6.114 7.791 314 HG2 GLU 39 1HG GLU 39 -12.017 -7.509 5.820 315 HG3 GLU 39 2HG GLU 39 -10.268 -7.272 5.816 316 H ASP 40 H ASP 40 -11.739 -3.784 4.057 317 HA ASP 40 HA ASP 40 -14.437 -4.768 3.596 318 HB2 ASP 40 1HB ASP 40 -15.247 -2.888 4.636 319 HB3 ASP 40 2HB ASP 40 -13.782 -1.959 4.345 320 H ASP 41 H ASP 41 -14.930 -4.919 1.478 321 HA ASP 41 HA ASP 41 -12.781 -5.095 -0.318 322 HB2 ASP 41 1HB ASP 41 -15.755 -5.286 -0.682 323 HB3 ASP 41 2HB ASP 41 -14.651 -5.419 -2.041 324 H THR 42 H THR 42 -15.157 -2.546 0.174 325 HA THR 42 HA THR 42 -14.580 -0.991 -2.095 326 HB THR 42 HB THR 42 -15.380 -0.077 0.678 327 HG1 THR 42 HG1 THR 42 -17.362 -0.591 0.098 328 HG21 THR 42 1HG2 THR 42 -15.488 1.330 -1.986 329 HG22 THR 42 2HG2 THR 42 -14.511 1.783 -0.589 330 HG23 THR 42 3HG2 THR 42 -16.269 1.907 -0.514 331 H THR 43 H THR 43 -13.272 -0.764 1.206 332 HA THR 43 HA THR 43 -11.264 1.105 0.789 333 HB THR 43 HB THR 43 -11.172 -1.294 2.630 334 HG1 THR 43 HG1 THR 43 -13.054 0.071 2.904 335 HG21 THR 43 1HG2 THR 43 -8.997 -0.283 2.495 336 HG22 THR 43 2HG2 THR 43 -9.728 0.216 4.022 337 HG23 THR 43 3HG2 THR 43 -9.683 1.331 2.655 338 H MET 44 H MET 44 -11.312 -2.332 0.087 339 HA MET 44 HA MET 44 -8.526 -2.662 -0.219 340 HB2 MET 44 1HB MET 44 -10.782 -4.311 -1.351 341 HB3 MET 44 2HB MET 44 -9.097 -4.806 -1.290 342 HG2 MET 44 1HG MET 44 -9.147 -4.741 1.135 343 HG3 MET 44 2HG MET 44 -10.814 -4.183 1.098 344 HE1 MET 44 1HE MET 44 -11.238 -7.765 2.507 345 HE2 MET 44 2HE MET 44 -11.594 -6.050 2.719 346 HE3 MET 44 3HE MET 44 -9.932 -6.628 2.849 347 H CYS 45 H CYS 45 -11.119 -2.233 -2.638 348 HA CYS 45 HA CYS 45 -9.353 -2.217 -4.852 349 HB2 CYS 45 1HB CYS 45 -12.149 -1.099 -4.567 350 HB3 CYS 45 2HB CYS 45 -11.256 -1.106 -6.080 351 H TYR 46 H TYR 46 -10.383 0.242 -2.608 352 HA TYR 46 HA TYR 46 -9.518 2.499 -4.007 353 HB2 TYR 46 1HB TYR 46 -10.822 2.891 -2.095 354 HB3 TYR 46 2HB TYR 46 -9.802 1.879 -1.072 355 HD1 TYR 46 HD1 TYR 46 -8.219 2.902 0.293 356 HD2 TYR 46 HD2 TYR 46 -9.699 5.024 -3.090 357 HE1 TYR 46 HE1 TYR 46 -6.987 4.902 1.015 358 HE2 TYR 46 HE2 TYR 46 -8.471 7.025 -2.372 359 HH TYR 46 HH TYR 46 -6.169 6.957 0.233 360 H ILE 47 H ILE 47 -7.826 0.478 -1.621 361 HA ILE 47 HA ILE 47 -5.338 1.727 -1.742 362 HB ILE 47 HB ILE 47 -6.045 -1.139 -1.145 363 HG12 ILE 47 1HG1 ILE 47 -6.938 0.463 0.456 364 HG13 ILE 47 2HG1 ILE 47 -5.628 -0.446 1.205 365 HG21 ILE 47 1HG2 ILE 47 -3.786 -1.333 -0.143 366 HG22 ILE 47 2HG2 ILE 47 -3.379 0.239 -0.835 367 HG23 ILE 47 3HG2 ILE 47 -3.754 -1.120 -1.894 368 HD11 ILE 47 1HD1 ILE 47 -5.378 1.803 1.867 369 HD12 ILE 47 2HD1 ILE 47 -5.592 2.393 0.222 370 HD13 ILE 47 3HD1 ILE 47 -4.127 1.507 0.659 371 H LYS 48 H LYS 48 -6.743 -0.808 -3.726 372 HA LYS 48 HA LYS 48 -4.503 -1.568 -5.192 373 HB2 LYS 48 1HB LYS 48 -6.726 -2.707 -5.179 374 HB3 LYS 48 2HB LYS 48 -7.355 -1.404 -6.175 375 HG2 LYS 48 1HG LYS 48 -5.582 -1.999 -7.867 376 HG3 LYS 48 2HG LYS 48 -5.275 -3.441 -6.895 377 HD2 LYS 48 1HD LYS 48 -7.526 -4.208 -7.214 378 HD3 LYS 48 2HD LYS 48 -7.973 -2.701 -8.015 379 HE2 LYS 48 1HE LYS 48 -5.913 -4.647 -9.040 380 HE3 LYS 48 2HE LYS 48 -7.589 -4.583 -9.581 381 HZ1 LYS 48 1HZ LYS 48 -5.937 -3.398 -11.010 382 HZ2 LYS 48 2HZ LYS 48 -5.755 -2.266 -9.763 383 HZ3 LYS 48 3HZ LYS 48 -7.257 -2.459 -10.511 384 H CYS 49 H CYS 49 -7.032 0.795 -6.039 385 HA CYS 49 HA CYS 49 -5.909 1.704 -8.415 386 HB2 CYS 49 1HB CYS 49 -8.157 2.231 -7.956 387 HB3 CYS 49 2HB CYS 49 -7.761 3.041 -6.442 388 H VAL 50 H VAL 50 -5.512 2.984 -5.115 389 HA VAL 50 HA VAL 50 -3.976 5.214 -5.771 390 HB VAL 50 HB VAL 50 -4.131 3.602 -3.230 391 HG11 VAL 50 1HG1 VAL 50 -3.108 5.538 -2.116 392 HG12 VAL 50 2HG1 VAL 50 -2.822 6.279 -3.691 393 HG13 VAL 50 3HG1 VAL 50 -2.005 4.775 -3.261 394 HG21 VAL 50 1HG2 VAL 50 -5.370 6.194 -4.103 395 HG22 VAL 50 2HG2 VAL 50 -5.482 5.523 -2.476 396 HG23 VAL 50 3HG2 VAL 50 -6.196 4.660 -3.839 397 H PHE 51 H PHE 51 -3.041 1.955 -4.790 398 HA PHE 51 HA PHE 51 -0.267 2.381 -4.803 399 HB2 PHE 51 1HB PHE 51 -2.089 0.042 -4.716 400 HB3 PHE 51 2HB PHE 51 -0.426 -0.271 -5.202 401 HD1 PHE 51 HD1 PHE 51 0.157 -1.572 -3.299 402 HD2 PHE 51 HD2 PHE 51 -1.409 2.355 -2.810 403 HE1 PHE 51 HE1 PHE 51 0.807 -1.612 -0.930 404 HE2 PHE 51 HE2 PHE 51 -0.757 2.323 -0.439 405 HZ PHE 51 HZ PHE 51 0.352 0.338 0.503 406 H ASN 52 H ASN 52 -2.554 1.827 -7.302 407 HA ASN 52 HA ASN 52 -0.660 0.882 -9.257 408 HB2 ASN 52 1HB ASN 52 -3.072 0.259 -9.304 409 HB3 ASN 52 2HB ASN 52 -3.474 1.943 -9.655 410 HD21 ASN 52 1HD2 ASN 52 -0.748 0.103 -10.950 411 HD22 ASN 52 2HD2 ASN 52 -1.284 0.137 -12.591 412 H LYS 53 H LYS 53 -2.335 3.919 -8.537 413 HA LYS 53 HA LYS 53 -1.239 5.360 -10.732 414 HB2 LYS 53 1HB LYS 53 -2.769 6.054 -8.275 415 HB3 LYS 53 2HB LYS 53 -1.948 7.351 -9.128 416 HG2 LYS 53 1HG LYS 53 -3.928 5.455 -10.387 417 HG3 LYS 53 2HG LYS 53 -4.328 7.061 -9.774 418 HD2 LYS 53 1HD LYS 53 -2.776 8.072 -11.369 419 HD3 LYS 53 2HD LYS 53 -2.324 6.472 -11.958 420 HE2 LYS 53 1HE LYS 53 -5.090 7.666 -12.099 421 HE3 LYS 53 2HE LYS 53 -3.940 7.610 -13.432 422 HZ1 LYS 53 1HZ LYS 53 -5.452 5.812 -13.669 423 HZ2 LYS 53 2HZ LYS 53 -5.221 5.305 -12.073 424 HZ3 LYS 53 3HZ LYS 53 -3.968 5.152 -13.199 425 H MET 54 H MET 54 -0.103 4.611 -7.559 426 HA MET 54 HA MET 54 1.935 6.671 -7.606 427 HB2 MET 54 1HB MET 54 1.197 4.517 -5.641 428 HB3 MET 54 2HB MET 54 2.632 5.522 -5.440 429 HG2 MET 54 1HG MET 54 1.342 7.472 -5.225 430 HG3 MET 54 2HG MET 54 -0.116 6.666 -5.792 431 HE1 MET 54 1HE MET 54 1.737 6.405 -1.609 432 HE2 MET 54 2HE MET 54 2.287 7.403 -2.953 433 HE3 MET 54 3HE MET 54 2.605 5.669 -2.957 434 H GLN 55 H GLN 55 1.646 3.967 -9.270 435 HA GLN 55 HA GLN 55 2.981 2.462 -10.264 436 HB2 GLN 55 1HB GLN 55 4.818 4.728 -9.724 437 HB3 GLN 55 2HB GLN 55 5.527 3.218 -10.290 438 HG2 GLN 55 1HG GLN 55 3.370 4.790 -11.673 439 HG3 GLN 55 2HG GLN 55 5.076 4.782 -12.107 440 HE21 GLN 55 1HE2 GLN 55 2.853 4.064 -13.761 441 HE22 GLN 55 2HE2 GLN 55 3.070 2.411 -14.222 442 H LEU 56 H LEU 56 2.336 1.658 -7.790 443 HA LEU 56 HA LEU 56 4.849 0.692 -6.660 444 HB2 LEU 56 1HB LEU 56 2.599 2.107 -5.415 445 HB3 LEU 56 2HB LEU 56 3.168 0.708 -4.492 446 HG LEU 56 HG LEU 56 4.800 3.088 -5.384 447 HD11 LEU 56 1HD1 LEU 56 4.935 3.594 -2.986 448 HD12 LEU 56 2HD1 LEU 56 3.852 2.248 -2.649 449 HD13 LEU 56 3HD1 LEU 56 3.273 3.632 -3.569 450 HD21 LEU 56 1HD2 LEU 56 6.235 1.181 -5.366 451 HD22 LEU 56 2HD2 LEU 56 5.557 0.626 -3.836 452 HD23 LEU 56 3HD2 LEU 56 6.534 2.092 -3.886 453 H PHE 57 H PHE 57 1.827 -0.111 -7.927 454 HA PHE 57 HA PHE 57 2.231 -2.916 -7.213 455 HB2 PHE 57 1HB PHE 57 0.591 -2.184 -5.581 456 HB3 PHE 57 2HB PHE 57 -0.372 -1.405 -6.827 457 HD1 PHE 57 HD1 PHE 57 0.698 -4.658 -5.459 458 HD2 PHE 57 HD2 PHE 57 -1.952 -2.629 -8.105 459 HE1 PHE 57 HE1 PHE 57 -0.636 -6.711 -5.698 460 HE2 PHE 57 HE2 PHE 57 -3.284 -4.680 -8.349 461 HZ PHE 57 HZ PHE 57 -2.628 -6.722 -7.144 462 H ASP 58 H ASP 58 1.812 -4.284 -8.827 463 HA ASP 58 HA ASP 58 0.586 -3.219 -11.293 464 HB2 ASP 58 1HB ASP 58 2.963 -3.603 -11.635 465 HB3 ASP 58 2HB ASP 58 2.838 -5.223 -10.962 466 H ASP 59 H ASP 59 -0.948 -4.486 -12.281 467 HA ASP 59 HA ASP 59 -2.450 -6.168 -10.582 468 HB2 ASP 59 1HB ASP 59 -2.651 -5.697 -13.552 469 HB3 ASP 59 2HB ASP 59 -3.809 -6.632 -12.633 470 H THR 60 H THR 60 0.142 -6.870 -12.719 471 HA THR 60 HA THR 60 -0.529 -9.713 -12.755 472 HB THR 60 HB THR 60 1.507 -8.091 -14.260 473 HG1 THR 60 HG1 THR 60 -0.789 -9.592 -15.019 474 HG21 THR 60 1HG2 THR 60 2.528 -10.231 -13.699 475 HG22 THR 60 2HG2 THR 60 2.147 -10.154 -15.419 476 HG23 THR 60 3HG2 THR 60 1.117 -11.083 -14.329 477 H GLU 61 H GLU 61 2.440 -7.777 -12.226 478 HA GLU 61 HA GLU 61 3.768 -9.954 -10.929 479 HB2 GLU 61 1HB GLU 61 4.659 -7.090 -10.821 480 HB3 GLU 61 2HB GLU 61 5.627 -8.554 -10.795 481 HG2 GLU 61 1HG GLU 61 5.048 -9.001 -13.107 482 HG3 GLU 61 2HG GLU 61 4.072 -7.536 -13.147 483 H GLY 62 H GLY 62 1.571 -7.628 -9.801 484 HA2 GLY 62 1HA GLY 62 0.747 -7.389 -7.638 485 HA3 GLY 62 2HA GLY 62 2.031 -8.464 -7.074 486 HA PRO 63 HA PRO 63 3.211 -4.393 -5.298 487 HB2 PRO 63 1HB PRO 63 4.892 -6.261 -3.723 488 HB3 PRO 63 2HB PRO 63 3.829 -4.959 -3.170 489 HG2 PRO 63 1HG PRO 63 3.166 -7.553 -2.892 490 HG3 PRO 63 2HG PRO 63 1.955 -6.295 -3.198 491 HD2 PRO 63 1HD PRO 63 3.107 -8.328 -5.057 492 HD3 PRO 63 2HD PRO 63 1.461 -7.646 -5.002 493 H LEU 64 H LEU 64 4.693 -3.277 -6.368 494 HA LEU 64 HA LEU 64 6.886 -4.610 -7.717 495 HB2 LEU 64 1HB LEU 64 6.231 -1.662 -7.618 496 HB3 LEU 64 2HB LEU 64 7.353 -2.452 -8.709 497 HG LEU 64 HG LEU 64 4.398 -3.030 -8.670 498 HD11 LEU 64 1HD1 LEU 64 4.768 -0.735 -9.376 499 HD12 LEU 64 2HD1 LEU 64 4.310 -1.737 -10.751 500 HD13 LEU 64 3HD1 LEU 64 5.994 -1.269 -10.526 501 HD21 LEU 64 1HD2 LEU 64 6.572 -3.750 -10.628 502 HD22 LEU 64 2HD2 LEU 64 4.862 -4.156 -10.769 503 HD23 LEU 64 3HD2 LEU 64 5.826 -4.846 -9.464 504 H VAL 65 H VAL 65 8.241 -5.310 -6.231 505 HA VAL 65 HA VAL 65 8.932 -4.228 -3.819 506 HB VAL 65 HB VAL 65 10.603 -5.944 -5.634 507 HG11 VAL 65 1HG1 VAL 65 10.944 -5.374 -2.691 508 HG12 VAL 65 2HG1 VAL 65 12.028 -4.862 -3.986 509 HG13 VAL 65 3HG1 VAL 65 11.846 -6.577 -3.613 510 HG21 VAL 65 1HG2 VAL 65 8.518 -6.979 -5.075 511 HG22 VAL 65 2HG2 VAL 65 8.723 -6.569 -3.373 512 HG23 VAL 65 3HG2 VAL 65 9.794 -7.748 -4.131 513 H ASP 66 H ASP 66 10.558 -3.680 -6.934 514 HA ASP 66 HA ASP 66 12.777 -2.293 -5.931 515 HB2 ASP 66 1HB ASP 66 11.410 -2.088 -8.612 516 HB3 ASP 66 2HB ASP 66 12.948 -1.322 -8.231 517 H ASN 67 H ASN 67 9.776 -0.946 -7.325 518 HA ASN 67 HA ASN 67 10.380 1.731 -6.707 519 HB2 ASN 67 1HB ASN 67 7.775 0.327 -7.246 520 HB3 ASN 67 2HB ASN 67 7.868 2.051 -6.923 521 HD21 ASN 67 1HD2 ASN 67 7.049 2.501 -8.975 522 HD22 ASN 67 2HD2 ASN 67 8.028 2.354 -10.398 523 H LEU 68 H LEU 68 8.859 -0.838 -4.910 524 HA LEU 68 HA LEU 68 7.796 0.645 -2.788 525 HB2 LEU 68 1HB LEU 68 8.640 -2.198 -3.138 526 HB3 LEU 68 2HB LEU 68 8.227 -1.613 -1.534 527 HG LEU 68 HG LEU 68 6.358 -1.280 -3.862 528 HD11 LEU 68 1HD1 LEU 68 6.906 -3.671 -3.596 529 HD12 LEU 68 2HD1 LEU 68 5.229 -3.304 -3.199 530 HD13 LEU 68 3HD1 LEU 68 6.403 -3.575 -1.909 531 HD21 LEU 68 1HD2 LEU 68 5.948 -1.350 -0.879 532 HD22 LEU 68 2HD2 LEU 68 4.689 -1.118 -2.093 533 HD23 LEU 68 3HD2 LEU 68 5.954 0.092 -1.893 534 H VAL 69 H VAL 69 10.992 -0.830 -3.197 535 HA VAL 69 HA VAL 69 12.019 -0.004 -0.687 536 HB VAL 69 HB VAL 69 13.493 -0.625 -3.242 537 HG11 VAL 69 1HG1 VAL 69 14.438 -0.437 -0.390 538 HG12 VAL 69 2HG1 VAL 69 14.902 0.615 -1.729 539 HG13 VAL 69 3HG1 VAL 69 15.393 -1.079 -1.727 540 HG21 VAL 69 1HG2 VAL 69 12.872 -2.381 -0.875 541 HG22 VAL 69 2HG2 VAL 69 13.794 -2.842 -2.307 542 HG23 VAL 69 3HG2 VAL 69 12.077 -2.464 -2.449 543 H HIS 70 H HIS 70 12.126 1.429 -3.935 544 HA HIS 70 HA HIS 70 13.739 3.638 -3.349 545 HB2 HIS 70 1HB HIS 70 11.630 3.129 -5.407 546 HB3 HIS 70 2HB HIS 70 12.283 4.751 -5.225 547 HD1 HIS 70 HD1 HIS 70 14.496 5.231 -6.284 548 HD2 HIS 70 HD2 HIS 70 13.608 1.171 -6.213 549 HE1 HIS 70 HE1 HIS 70 16.233 4.132 -7.729 550 HE2 HIS 70 HE2 HIS 70 15.772 1.667 -7.535 551 H GLN 71 H GLN 71 10.357 3.086 -2.744 552 HA GLN 71 HA GLN 71 9.855 5.851 -2.015 553 HB2 GLN 71 1HB GLN 71 8.180 4.329 -3.182 554 HB3 GLN 71 2HB GLN 71 8.012 3.495 -1.640 555 HG2 GLN 71 1HG GLN 71 6.230 5.077 -1.873 556 HG3 GLN 71 2HG GLN 71 7.318 5.596 -0.587 557 HE21 GLN 71 1HE2 GLN 71 6.731 7.731 -0.688 558 HE22 GLN 71 2HE2 GLN 71 7.153 8.755 -2.011 559 H LEU 72 H LEU 72 9.555 2.717 -0.352 560 HA LEU 72 HA LEU 72 9.008 3.873 2.147 561 HB2 LEU 72 1HB LEU 72 9.879 1.098 1.393 562 HB3 LEU 72 2HB LEU 72 9.493 1.561 3.038 563 HG LEU 72 HG LEU 72 7.578 1.734 0.714 564 HD11 LEU 72 1HD1 LEU 72 6.477 -0.200 1.758 565 HD12 LEU 72 2HD1 LEU 72 7.779 -0.291 2.947 566 HD13 LEU 72 3HD1 LEU 72 8.120 -0.585 1.242 567 HD21 LEU 72 1HD2 LEU 72 7.228 2.163 3.677 568 HD22 LEU 72 2HD2 LEU 72 5.894 1.984 2.536 569 HD23 LEU 72 3HD2 LEU 72 7.002 3.348 2.388 570 H ALA 73 H ALA 73 12.040 2.600 0.799 571 HA ALA 73 HA ALA 73 13.486 2.910 3.244 572 HB1 ALA 73 1HB ALA 73 14.556 2.558 0.459 573 HB2 ALA 73 2HB ALA 73 14.051 1.249 1.525 574 HB3 ALA 73 3HB ALA 73 15.420 2.272 1.972 575 H HIS 74 H HIS 74 12.160 5.317 2.391 576 HA HIS 74 HA HIS 74 14.017 7.168 1.284 577 HB2 HIS 74 1HB HIS 74 11.519 7.462 1.271 578 HB3 HIS 74 2HB HIS 74 11.592 7.762 3.007 579 HD1 HIS 74 HD1 HIS 74 12.294 10.069 3.766 580 HD2 HIS 74 HD2 HIS 74 12.619 9.543 -0.343 581 HE1 HIS 74 HE1 HIS 74 12.685 12.361 2.821 582 HE2 HIS 74 HE2 HIS 74 12.705 12.042 0.320 583 H GLY 75 H GLY 75 15.935 6.973 2.446 584 HA2 GLY 75 1HA GLY 75 17.376 7.921 4.022 585 HA3 GLY 75 2HA GLY 75 15.980 8.429 4.962 586 H ARG 76 H ARG 76 16.333 5.144 3.839 587 HA ARG 76 HA ARG 76 17.333 4.259 6.426 588 HB2 ARG 76 1HB ARG 76 14.549 3.921 5.525 589 HB3 ARG 76 2HB ARG 76 15.310 2.464 6.152 590 HG2 ARG 76 1HG ARG 76 15.922 3.785 8.191 591 HG3 ARG 76 2HG ARG 76 14.905 5.087 7.575 592 HD2 ARG 76 1HD ARG 76 12.977 3.687 7.638 593 HD3 ARG 76 2HD ARG 76 13.943 2.274 8.048 594 HE ARG 76 HE ARG 76 14.133 4.434 9.948 595 HH11 ARG 76 1HH1 ARG 76 12.383 1.551 9.007 596 HH12 ARG 76 2HH1 ARG 76 11.716 1.281 10.584 597 HH21 ARG 76 1HH2 ARG 76 13.249 4.078 12.040 598 HH22 ARG 76 2HH2 ARG 76 12.204 2.717 12.306 599 H ASP 77 H ASP 77 17.720 1.877 6.441 600 HA ASP 77 HA ASP 77 19.346 1.161 4.282 601 HB2 ASP 77 1HB ASP 77 18.188 -0.603 6.446 602 HB3 ASP 77 2HB ASP 77 19.538 -1.023 5.397 603 H ALA 78 H ALA 78 18.643 0.807 2.347 604 HA ALA 78 HA ALA 78 16.041 0.125 1.601 605 HB1 ALA 78 1HB ALA 78 16.952 -0.109 -0.634 606 HB2 ALA 78 2HB ALA 78 18.586 -0.159 0.026 607 HB3 ALA 78 3HB ALA 78 17.618 1.308 0.175 608 H GLU 79 H GLU 79 18.894 -1.889 2.058 609 HA GLU 79 HA GLU 79 17.906 -4.207 0.793 610 HB2 GLU 79 1HB GLU 79 19.971 -3.891 2.966 611 HB3 GLU 79 2HB GLU 79 19.651 -5.403 2.127 612 HG2 GLU 79 1HG GLU 79 20.205 -4.246 -0.010 613 HG3 GLU 79 2HG GLU 79 20.705 -2.848 0.938 614 H GLU 80 H GLU 80 17.692 -3.053 4.112 615 HA GLU 80 HA GLU 80 16.375 -5.343 5.152 616 HB2 GLU 80 1HB GLU 80 16.416 -2.472 6.082 617 HB3 GLU 80 2HB GLU 80 15.709 -3.798 6.994 618 HG2 GLU 80 1HG GLU 80 18.593 -3.463 6.234 619 HG3 GLU 80 2HG GLU 80 17.898 -3.312 7.840 620 H VAL 81 H VAL 81 15.259 -2.218 3.942 621 HA VAL 81 HA VAL 81 12.527 -2.513 4.289 622 HB VAL 81 HB VAL 81 14.047 -1.042 2.145 623 HG11 VAL 81 1HG1 VAL 81 11.772 -1.391 1.380 624 HG12 VAL 81 2HG1 VAL 81 12.000 0.293 1.856 625 HG13 VAL 81 3HG1 VAL 81 11.145 -0.820 2.926 626 HG21 VAL 81 1HG2 VAL 81 12.913 -0.246 4.805 627 HG22 VAL 81 2HG2 VAL 81 13.498 0.899 3.598 628 HG23 VAL 81 3HG2 VAL 81 14.606 -0.269 4.311 629 H ARG 82 H ARG 82 14.494 -3.346 1.434 630 HA ARG 82 HA ARG 82 12.588 -4.413 -0.238 631 HB2 ARG 82 1HB ARG 82 15.033 -4.091 -0.699 632 HB3 ARG 82 2HB ARG 82 15.341 -5.564 0.209 633 HG2 ARG 82 1HG ARG 82 13.827 -6.751 -1.395 634 HG3 ARG 82 2HG ARG 82 13.824 -5.274 -2.357 635 HD2 ARG 82 1HD ARG 82 16.298 -5.392 -2.443 636 HD3 ARG 82 2HD ARG 82 16.214 -6.947 -1.620 637 HE ARG 82 HE ARG 82 14.645 -6.818 -4.033 638 HH11 ARG 82 1HH1 ARG 82 17.799 -7.493 -2.680 639 HH12 ARG 82 2HH1 ARG 82 18.301 -8.486 -4.011 640 HH21 ARG 82 1HH2 ARG 82 15.296 -8.114 -5.784 641 HH22 ARG 82 2HH2 ARG 82 16.872 -8.838 -5.786 642 H THR 83 H THR 83 14.273 -5.941 2.443 643 HA THR 83 HA THR 83 13.328 -8.565 1.978 644 HB THR 83 HB THR 83 14.577 -7.204 4.354 645 HG1 THR 83 HG1 THR 83 16.161 -7.544 2.970 646 HG21 THR 83 1HG2 THR 83 14.873 -9.416 5.364 647 HG22 THR 83 2HG2 THR 83 13.920 -10.140 4.068 648 HG23 THR 83 3HG2 THR 83 13.163 -9.015 5.198 649 H GLU 84 H GLU 84 12.435 -6.139 4.454 650 HA GLU 84 HA GLU 84 10.352 -7.526 5.639 651 HB2 GLU 84 1HB GLU 84 10.568 -4.538 5.251 652 HB3 GLU 84 2HB GLU 84 9.565 -5.358 6.441 653 HG2 GLU 84 1HG GLU 84 11.618 -6.321 7.424 654 HG3 GLU 84 2HG GLU 84 12.566 -5.341 6.312 655 H VAL 85 H VAL 85 10.280 -5.426 2.776 656 HA VAL 85 HA VAL 85 7.521 -5.476 2.309 657 HB VAL 85 HB VAL 85 9.878 -5.201 0.452 658 HG11 VAL 85 1HG1 VAL 85 8.289 -4.550 -1.311 659 HG12 VAL 85 2HG1 VAL 85 6.955 -5.040 -0.264 660 HG13 VAL 85 3HG1 VAL 85 8.110 -6.242 -0.839 661 HG21 VAL 85 1HG2 VAL 85 7.767 -3.270 1.400 662 HG22 VAL 85 2HG2 VAL 85 9.099 -2.891 0.305 663 HG23 VAL 85 3HG2 VAL 85 9.434 -3.359 1.972 664 H LEU 86 H LEU 86 10.079 -7.618 1.053 665 HA LEU 86 HA LEU 86 8.488 -9.268 -0.513 666 HB2 LEU 86 1HB LEU 86 11.078 -9.783 0.932 667 HB3 LEU 86 2HB LEU 86 10.335 -10.964 -0.145 668 HG LEU 86 HG LEU 86 11.026 -8.178 -1.041 669 HD11 LEU 86 1HD1 LEU 86 12.706 -10.663 -1.299 670 HD12 LEU 86 2HD1 LEU 86 13.043 -9.318 -0.210 671 HD13 LEU 86 3HD1 LEU 86 13.077 -9.069 -1.958 672 HD21 LEU 86 1HD2 LEU 86 10.991 -9.279 -3.257 673 HD22 LEU 86 2HD2 LEU 86 9.431 -9.317 -2.433 674 HD23 LEU 86 3HD2 LEU 86 10.444 -10.761 -2.473 675 H LYS 87 H LYS 87 9.083 -9.341 2.941 676 HA LYS 87 HA LYS 87 7.971 -11.919 3.414 677 HB2 LYS 87 1HB LYS 87 8.419 -9.540 5.214 678 HB3 LYS 87 2HB LYS 87 7.715 -11.045 5.788 679 HG2 LYS 87 1HG LYS 87 9.727 -12.252 5.164 680 HG3 LYS 87 2HG LYS 87 10.439 -10.757 4.532 681 HD2 LYS 87 1HD LYS 87 11.278 -11.279 6.772 682 HD3 LYS 87 2HD LYS 87 10.356 -9.775 6.767 683 HE2 LYS 87 1HE LYS 87 8.407 -10.967 7.645 684 HE3 LYS 87 2HE LYS 87 9.320 -12.474 7.636 685 HZ1 LYS 87 1HZ LYS 87 10.843 -11.517 9.246 686 HZ2 LYS 87 2HZ LYS 87 9.260 -11.485 9.836 687 HZ3 LYS 87 3HZ LYS 87 9.971 -10.069 9.248 688 H CYS 88 H CYS 88 6.595 -8.917 2.637 689 HA CYS 88 HA CYS 88 3.975 -9.752 3.662 690 HB2 CYS 88 1HB CYS 88 5.182 -7.082 3.088 691 HB3 CYS 88 2HB CYS 88 3.419 -7.271 2.994 692 H VAL 89 H VAL 89 5.818 -9.616 0.863 693 HA VAL 89 HA VAL 89 3.709 -9.265 -1.026 694 HB VAL 89 HB VAL 89 6.424 -10.555 -1.335 695 HG11 VAL 89 1HG1 VAL 89 6.049 -10.209 -3.761 696 HG12 VAL 89 2HG1 VAL 89 4.388 -9.738 -3.395 697 HG13 VAL 89 3HG1 VAL 89 4.936 -11.376 -3.045 698 HG21 VAL 89 1HG2 VAL 89 6.626 -8.225 -0.774 699 HG22 VAL 89 2HG2 VAL 89 5.427 -7.789 -1.989 700 HG23 VAL 89 3HG2 VAL 89 6.992 -8.433 -2.487 701 H ASP 90 H ASP 90 2.033 -10.598 -0.779 702 HA ASP 90 HA ASP 90 2.550 -13.443 -0.306 703 HB2 ASP 90 1HB ASP 90 1.031 -11.909 1.213 704 HB3 ASP 90 2HB ASP 90 -0.170 -12.228 -0.040 705 H LYS 91 H LYS 91 0.760 -14.869 -1.254 706 HA LYS 91 HA LYS 91 0.793 -14.422 -4.127 707 HB2 LYS 91 1HB LYS 91 -0.394 -16.796 -2.724 708 HB3 LYS 91 2HB LYS 91 0.299 -16.700 -4.337 709 HG2 LYS 91 1HG LYS 91 2.509 -16.426 -3.376 710 HG3 LYS 91 2HG LYS 91 1.819 -16.515 -1.756 711 HD2 LYS 91 1HD LYS 91 1.013 -18.777 -2.227 712 HD3 LYS 91 2HD LYS 91 1.714 -18.687 -3.844 713 HE2 LYS 91 1HE LYS 91 3.248 -18.507 -1.254 714 HE3 LYS 91 2HE LYS 91 3.139 -19.934 -2.280 715 HZ1 LYS 91 1HZ LYS 91 5.182 -18.781 -2.709 716 HZ2 LYS 91 2HZ LYS 91 4.366 -17.331 -3.007 717 HZ3 LYS 91 3HZ LYS 91 4.184 -18.633 -4.066 718 H ASN 92 H ASN 92 -1.047 -14.527 -5.446 719 HA ASN 92 HA ASN 92 -3.402 -13.325 -4.247 720 HB2 ASN 92 1HB ASN 92 -2.408 -12.533 -6.423 721 HB3 ASN 92 2HB ASN 92 -2.928 -14.051 -7.140 722 HD21 ASN 92 1HD2 ASN 92 -4.131 -12.728 -8.607 723 HD22 ASN 92 2HD2 ASN 92 -5.678 -12.101 -8.147 724 H THR 93 H THR 93 -3.593 -15.437 -3.020 725 HA THR 93 HA THR 93 -4.572 -17.741 -4.392 726 HB THR 93 HB THR 93 -5.168 -18.529 -2.084 727 HG1 THR 93 HG1 THR 93 -5.158 -17.121 -0.499 728 HG21 THR 93 1HG2 THR 93 -2.372 -17.481 -2.438 729 HG22 THR 93 2HG2 THR 93 -2.992 -18.991 -3.099 730 HG23 THR 93 3HG2 THR 93 -2.868 -18.778 -1.355 731 H ASP 94 H ASP 94 -6.060 -14.931 -2.948 732 HA ASP 94 HA ASP 94 -8.684 -16.160 -2.962 733 HB2 ASP 94 1HB ASP 94 -9.487 -14.074 -2.004 734 HB3 ASP 94 2HB ASP 94 -8.060 -14.638 -1.130 735 H ASN 95 H ASN 95 -6.728 -14.659 -5.158 736 HA ASN 95 HA ASN 95 -6.977 -14.077 -7.310 737 HB2 ASN 95 1HB ASN 95 -9.519 -15.617 -6.932 738 HB3 ASN 95 2HB ASN 95 -9.045 -14.945 -8.480 739 HD21 ASN 95 1HD2 ASN 95 -8.430 -17.364 -6.104 740 HD22 ASN 95 2HD2 ASN 95 -7.300 -18.289 -7.045 741 H ASN 96 H ASN 96 -7.807 -12.155 -5.323 742 HA ASN 96 HA ASN 96 -9.509 -10.553 -7.102 743 HB2 ASN 96 1HB ASN 96 -10.898 -11.160 -5.213 744 HB3 ASN 96 2HB ASN 96 -9.649 -10.660 -4.073 745 HD21 ASN 96 1HD2 ASN 96 -12.105 -9.630 -6.294 746 HD22 ASN 96 2HD2 ASN 96 -12.169 -7.980 -5.774 747 H ALA 97 H ALA 97 -8.308 -8.948 -7.874 748 HA ALA 97 HA ALA 97 -5.693 -8.474 -6.977 749 HB1 ALA 97 1HB ALA 97 -7.350 -6.721 -8.775 750 HB2 ALA 97 2HB ALA 97 -6.431 -8.134 -9.293 751 HB3 ALA 97 3HB ALA 97 -5.593 -6.727 -8.638 752 H CYS 98 H CYS 98 -8.713 -6.797 -6.270 753 HA CYS 98 HA CYS 98 -7.565 -4.525 -5.026 754 HB2 CYS 98 1HB CYS 98 -10.202 -5.866 -4.387 755 HB3 CYS 98 2HB CYS 98 -9.721 -4.255 -3.876 756 H HIS 99 H HIS 99 -8.449 -7.728 -3.776 757 HA HIS 99 HA HIS 99 -7.771 -7.001 -1.074 758 HB2 HIS 99 1HB HIS 99 -9.535 -8.646 -1.484 759 HB3 HIS 99 2HB HIS 99 -8.389 -9.700 -2.301 760 HD1 HIS 99 HD1 HIS 99 -7.163 -11.355 -0.892 761 HD2 HIS 99 HD2 HIS 99 -9.026 -8.407 1.386 762 HE1 HIS 99 HE1 HIS 99 -6.850 -12.042 1.511 763 HE2 HIS 99 HE2 HIS 99 -8.132 -10.336 2.848 764 H TRP 100 H TRP 100 -6.176 -8.413 -3.791 765 HA TRP 100 HA TRP 100 -3.998 -9.590 -2.443 766 HB2 TRP 100 1HB TRP 100 -4.561 -10.034 -4.819 767 HB3 TRP 100 2HB TRP 100 -4.045 -8.397 -5.231 768 HD1 TRP 100 HD1 TRP 100 -1.760 -9.914 -2.719 769 HE1 TRP 100 HE1 TRP 100 0.399 -10.724 -3.854 770 HE3 TRP 100 HE3 TRP 100 -3.249 -9.598 -7.596 771 HZ2 TRP 100 HZ2 TRP 100 1.341 -11.183 -6.479 772 HZ3 TRP 100 HZ3 TRP 100 -1.666 -10.242 -9.356 773 HH2 TRP 100 HH2 TRP 100 0.579 -11.017 -8.817 774 H ALA 101 H ALA 101 -4.295 -6.433 -4.063 775 HA ALA 101 HA ALA 101 -1.837 -5.367 -3.233 776 HB1 ALA 101 1HB ALA 101 -2.809 -3.188 -3.777 777 HB2 ALA 101 2HB ALA 101 -4.416 -3.913 -3.829 778 HB3 ALA 101 3HB ALA 101 -3.199 -4.384 -5.015 779 H PHE 102 H PHE 102 -4.995 -5.448 -1.738 780 HA PHE 102 HA PHE 102 -4.410 -3.718 0.406 781 HB2 PHE 102 1HB PHE 102 -6.683 -4.206 -0.358 782 HB3 PHE 102 2HB PHE 102 -6.524 -5.863 0.213 783 HD1 PHE 102 HD1 PHE 102 -7.203 -6.390 2.384 784 HD2 PHE 102 HD2 PHE 102 -6.381 -2.337 1.373 785 HE1 PHE 102 HE1 PHE 102 -8.053 -5.673 4.577 786 HE2 PHE 102 HE2 PHE 102 -7.223 -1.615 3.568 787 HZ PHE 102 HZ PHE 102 -8.060 -3.283 5.173 788 H ARG 103 H ARG 103 -3.967 -7.138 -0.133 789 HA ARG 103 HA ARG 103 -3.579 -7.896 2.581 790 HB2 ARG 103 1HB ARG 103 -4.181 -9.522 0.815 791 HB3 ARG 103 2HB ARG 103 -2.623 -9.253 0.054 792 HG2 ARG 103 1HG ARG 103 -1.620 -10.705 1.381 793 HG3 ARG 103 2HG ARG 103 -2.286 -9.938 2.817 794 HD2 ARG 103 1HD ARG 103 -2.889 -12.332 2.568 795 HD3 ARG 103 2HD ARG 103 -4.271 -11.257 2.686 796 HE ARG 103 HE ARG 103 -4.395 -11.487 0.180 797 HH11 ARG 103 1HH1 ARG 103 -2.867 -13.959 2.130 798 HH12 ARG 103 2HH1 ARG 103 -3.326 -15.257 1.081 799 HH21 ARG 103 1HH2 ARG 103 -5.051 -13.228 -1.199 800 HH22 ARG 103 2HH2 ARG 103 -4.545 -14.849 -0.802 801 H GLY 104 H GLY 104 -1.422 -6.925 -0.042 802 HA2 GLY 104 1HA GLY 104 1.014 -7.346 1.361 803 HA3 GLY 104 2HA GLY 104 0.786 -6.277 -0.029 804 H PHE 105 H PHE 105 -1.028 -4.483 0.941 805 HA PHE 105 HA PHE 105 0.622 -2.701 2.348 806 HB2 PHE 105 1HB PHE 105 -0.994 -1.801 0.869 807 HB3 PHE 105 2HB PHE 105 -2.301 -2.679 1.645 808 HD1 PHE 105 HD1 PHE 105 -3.786 -1.191 2.606 809 HD2 PHE 105 HD2 PHE 105 0.394 -0.433 2.905 810 HE1 PHE 105 HE1 PHE 105 -4.248 0.793 3.975 811 HE2 PHE 105 HE2 PHE 105 -0.071 1.560 4.273 812 HZ PHE 105 HZ PHE 105 -2.389 2.171 4.812 813 H LYS 106 H LYS 106 -2.115 -4.690 3.347 814 HA LYS 106 HA LYS 106 -2.365 -3.603 5.933 815 HB2 LYS 106 1HB LYS 106 -4.293 -4.617 5.245 816 HB3 LYS 106 2HB LYS 106 -3.470 -5.996 4.525 817 HG2 LYS 106 1HG LYS 106 -3.104 -6.931 6.737 818 HG3 LYS 106 2HG LYS 106 -3.820 -5.492 7.474 819 HD2 LYS 106 1HD LYS 106 -5.953 -5.980 6.458 820 HD3 LYS 106 2HD LYS 106 -5.262 -7.338 5.572 821 HE2 LYS 106 1HE LYS 106 -5.329 -7.165 8.578 822 HE3 LYS 106 2HE LYS 106 -6.585 -7.946 7.619 823 HZ1 LYS 106 1HZ LYS 106 -4.942 -9.477 6.760 824 HZ2 LYS 106 2HZ LYS 106 -4.945 -9.524 8.450 825 HZ3 LYS 106 3HZ LYS 106 -3.714 -8.705 7.629 826 H CYS 107 H CYS 107 -0.627 -6.403 4.676 827 HA CYS 107 HA CYS 107 0.233 -7.483 7.102 828 HB2 CYS 107 1HB CYS 107 0.491 -8.807 5.165 829 HB3 CYS 107 2HB CYS 107 1.375 -7.549 4.310 830 H PHE 108 H PHE 108 1.558 -4.932 5.075 831 HA PHE 108 HA PHE 108 4.081 -4.886 6.411 832 HB2 PHE 108 1HB PHE 108 3.593 -4.284 3.987 833 HB3 PHE 108 2HB PHE 108 3.010 -2.738 4.604 834 HD1 PHE 108 HD1 PHE 108 5.925 -4.863 4.041 835 HD2 PHE 108 HD2 PHE 108 4.564 -1.118 5.535 836 HE1 PHE 108 HE1 PHE 108 8.234 -4.027 4.038 837 HE2 PHE 108 HE2 PHE 108 6.873 -0.276 5.530 838 HZ PHE 108 HZ PHE 108 8.711 -1.732 4.776 839 H GLN 109 H GLN 109 1.245 -2.696 6.383 840 HA GLN 109 HA GLN 109 2.418 -0.799 8.129 841 HB2 GLN 109 1HB GLN 109 0.168 0.113 8.370 842 HB3 GLN 109 2HB GLN 109 0.561 -0.199 6.683 843 HG2 GLN 109 1HG GLN 109 -0.953 -1.881 6.493 844 HG3 GLN 109 2HG GLN 109 -0.882 -2.300 8.208 845 HE21 GLN 109 1HE2 GLN 109 -3.104 -2.286 8.445 846 HE22 GLN 109 2HE2 GLN 109 -4.039 -0.829 8.420 847 H LYS 110 H LYS 110 1.003 -3.861 8.669 848 HA LYS 110 HA LYS 110 -0.025 -3.545 11.260 849 HB2 LYS 110 1HB LYS 110 -0.417 -5.507 9.788 850 HB3 LYS 110 2HB LYS 110 1.253 -5.985 10.024 851 HG2 LYS 110 1HG LYS 110 0.856 -6.242 12.406 852 HG3 LYS 110 2HG LYS 110 -0.832 -5.800 12.172 853 HD2 LYS 110 1HD LYS 110 -0.992 -7.743 10.574 854 HD3 LYS 110 2HD LYS 110 0.611 -8.226 11.124 855 HE2 LYS 110 1HE LYS 110 -1.094 -9.452 12.338 856 HE3 LYS 110 2HE LYS 110 -0.238 -8.362 13.427 857 HZ1 LYS 110 1HZ LYS 110 -2.564 -8.226 13.865 858 HZ2 LYS 110 2HZ LYS 110 -2.927 -7.939 12.242 859 HZ3 LYS 110 3HZ LYS 110 -2.094 -6.776 13.141 860 H ASN 111 H ASN 111 3.219 -4.011 10.045 861 HA ASN 111 HA ASN 111 4.220 -4.167 12.815 862 HB2 ASN 111 1HB ASN 111 5.515 -5.231 10.298 863 HB3 ASN 111 2HB ASN 111 6.187 -5.321 11.923 864 HD21 ASN 111 1HD2 ASN 111 3.797 -6.569 9.737 865 HD22 ASN 111 2HD2 ASN 111 3.358 -7.938 10.693 866 H ASN 112 H ASN 112 4.406 -2.520 9.766 867 HA ASN 112 HA ASN 112 6.532 -0.800 10.841 868 HB2 ASN 112 1HB ASN 112 6.458 -2.121 8.126 869 HB3 ASN 112 2HB ASN 112 7.515 -0.761 8.523 870 HD21 ASN 112 1HD2 ASN 112 7.892 -3.710 7.859 871 HD22 ASN 112 2HD2 ASN 112 9.035 -4.230 9.050 872 H LEU 113 H LEU 113 4.319 0.344 11.185 873 HA LEU 113 HA LEU 113 3.292 1.609 8.798 874 HB2 LEU 113 1HB LEU 113 1.709 1.031 10.507 875 HB3 LEU 113 2HB LEU 113 2.587 1.954 11.707 876 HG LEU 113 HG LEU 113 2.020 4.023 10.420 877 HD11 LEU 113 1HD1 LEU 113 0.314 3.917 8.711 878 HD12 LEU 113 2HD1 LEU 113 0.229 2.164 8.871 879 HD13 LEU 113 3HD1 LEU 113 1.693 2.921 8.244 880 HD21 LEU 113 1HD2 LEU 113 -0.322 4.078 11.136 881 HD22 LEU 113 2HD2 LEU 113 0.711 3.334 12.358 882 HD23 LEU 113 3HD2 LEU 113 -0.300 2.325 11.325 883 H SER 114 H SER 114 5.543 2.273 11.319 884 HA SER 114 HA SER 114 5.669 5.083 11.137 885 HB2 SER 114 1HB SER 114 7.911 3.177 11.858 886 HB3 SER 114 2HB SER 114 7.810 4.886 12.273 887 HG SER 114 HG SER 114 5.911 4.380 13.487 888 H LEU 115 H LEU 115 7.316 2.512 9.352 889 HA LEU 115 HA LEU 115 9.068 4.183 7.904 890 HB2 LEU 115 1HB LEU 115 9.332 1.741 8.132 891 HB3 LEU 115 2HB LEU 115 7.925 1.510 7.113 892 HG LEU 115 HG LEU 115 9.135 2.638 5.256 893 HD11 LEU 115 1HD1 LEU 115 10.661 3.983 6.553 894 HD12 LEU 115 2HD1 LEU 115 11.569 2.909 5.487 895 HD13 LEU 115 3HD1 LEU 115 11.418 2.530 7.203 896 HD21 LEU 115 1HD2 LEU 115 10.547 0.256 6.450 897 HD22 LEU 115 2HD2 LEU 115 10.632 0.778 4.767 898 HD23 LEU 115 3HD2 LEU 115 9.106 0.203 5.436 899 H ILE 116 H ILE 116 5.771 3.126 7.388 900 HA ILE 116 HA ILE 116 5.527 3.991 4.707 901 HB ILE 116 HB ILE 116 3.365 3.638 6.798 902 HG12 ILE 116 1HG1 ILE 116 4.446 1.723 4.713 903 HG13 ILE 116 2HG1 ILE 116 4.659 1.590 6.466 904 HG21 ILE 116 1HG2 ILE 116 1.858 3.369 4.872 905 HG22 ILE 116 2HG2 ILE 116 3.189 3.780 3.792 906 HG23 ILE 116 3HG2 ILE 116 2.580 4.978 4.935 907 HD11 ILE 116 1HD1 ILE 116 2.171 1.411 6.649 908 HD12 ILE 116 2HD1 ILE 116 2.961 0.069 5.821 909 HD13 ILE 116 3HD1 ILE 116 2.119 1.305 4.889 910 H LYS 117 H LYS 117 4.848 5.482 7.818 911 HA LYS 117 HA LYS 117 3.729 7.882 6.892 912 HB2 LYS 117 1HB LYS 117 5.188 7.144 9.418 913 HB3 LYS 117 2HB LYS 117 4.548 8.760 9.152 914 HG2 LYS 117 1HG LYS 117 2.305 7.897 8.996 915 HG3 LYS 117 2HG LYS 117 2.889 6.237 9.091 916 HD2 LYS 117 1HD LYS 117 3.586 6.522 11.345 917 HD3 LYS 117 2HD LYS 117 3.363 8.268 11.267 918 HE2 LYS 117 1HE LYS 117 1.134 6.259 10.992 919 HE3 LYS 117 2HE LYS 117 1.572 7.042 12.510 920 HZ1 LYS 117 1HZ LYS 117 0.697 8.456 10.048 921 HZ2 LYS 117 2HZ LYS 117 1.069 9.179 11.530 922 HZ3 LYS 117 3HZ LYS 117 -0.270 8.158 11.402 923 H ALA 118 H ALA 118 7.062 7.006 7.709 924 HA ALA 118 HA ALA 118 8.171 9.571 7.166 925 HB1 ALA 118 1HB ALA 118 10.302 8.462 7.398 926 HB2 ALA 118 2HB ALA 118 9.522 6.886 7.255 927 HB3 ALA 118 3HB ALA 118 9.195 7.909 8.652 928 H SER 119 H SER 119 7.533 6.743 5.255 929 HA SER 119 HA SER 119 9.215 7.105 3.094 930 HB2 SER 119 1HB SER 119 7.875 5.090 3.428 931 HB3 SER 119 2HB SER 119 6.397 5.997 3.118 932 HG SER 119 HG SER 119 8.510 5.788 1.244 933 H ILE 120 H ILE 120 6.012 8.524 3.659 934 HA ILE 120 HA ILE 120 6.148 9.917 1.100 935 HB ILE 120 HB ILE 120 3.850 10.697 1.651 936 HG12 ILE 120 1HG1 ILE 120 4.049 8.819 4.011 937 HG13 ILE 120 2HG1 ILE 120 4.172 10.573 4.143 938 HG21 ILE 120 1HG2 ILE 120 2.784 8.514 1.371 939 HG22 ILE 120 2HG2 ILE 120 4.297 7.725 1.817 940 HG23 ILE 120 3HG2 ILE 120 4.205 8.683 0.340 941 HD11 ILE 120 1HD1 ILE 120 1.800 9.016 3.150 942 HD12 ILE 120 2HD1 ILE 120 1.917 10.774 3.191 943 HD13 ILE 120 3HD1 ILE 120 1.943 9.854 4.694 944 H LYS 121 H LYS 121 7.408 10.466 4.024 945 HA LYS 121 HA LYS 121 6.733 13.288 4.259 946 HB2 LYS 121 1HB LYS 121 6.889 11.860 6.263 947 HB3 LYS 121 2HB LYS 121 8.568 11.516 5.887 948 HG2 LYS 121 1HG LYS 121 8.457 13.154 7.643 949 HG3 LYS 121 2HG LYS 121 9.091 13.912 6.181 950 HD2 LYS 121 1HD LYS 121 6.998 14.969 5.735 951 HD3 LYS 121 2HD LYS 121 6.200 14.052 7.015 952 HE2 LYS 121 1HE LYS 121 6.712 16.387 7.661 953 HE3 LYS 121 2HE LYS 121 7.484 15.192 8.702 954 HZ1 LYS 121 1HZ LYS 121 8.815 16.620 6.465 955 HZ2 LYS 121 2HZ LYS 121 9.547 15.522 7.521 956 HZ3 LYS 121 3HZ LYS 121 8.983 17.005 8.101 957 H LYS 122 H LYS 122 7.806 14.729 3.099 958 HA LYS 122 HA LYS 122 9.469 15.938 2.120 959 HB2 LYS 122 1HB LYS 122 10.690 14.907 4.363 960 HB3 LYS 122 2HB LYS 122 11.735 14.375 3.068 961 HG2 LYS 122 1HG LYS 122 12.480 16.499 3.997 962 HG3 LYS 122 2HG LYS 122 12.052 16.628 2.293 963 HD2 LYS 122 1HD LYS 122 9.830 17.523 2.992 964 HD3 LYS 122 2HD LYS 122 10.409 17.524 4.656 965 HE2 LYS 122 1HE LYS 122 12.129 19.100 4.119 966 HE3 LYS 122 2HE LYS 122 11.765 18.986 2.399 967 HZ1 LYS 122 1HZ LYS 122 9.953 20.072 4.483 968 HZ2 LYS 122 2HZ LYS 122 9.592 19.952 2.838 969 HZ3 LYS 122 3HZ LYS 122 10.826 20.983 3.359 970 H ASP 123 H ASP 123 10.458 15.996 0.229 971 HA ASP 123 HA ASP 123 10.711 13.502 -1.247 972 HB2 ASP 123 1HB ASP 123 9.630 15.410 -2.347 973 HB3 ASP 123 2HB ASP 123 11.093 16.365 -2.148 974 H21 ACD 201 H21 ACD 1 -4.588 4.646 1.178 975 H22 ACD 201 H22 ACD 1 -3.546 4.713 2.605 976 H31 ACD 201 H31 ACD 1 -2.074 6.348 1.387 977 H32 ACD 201 H32 ACD 1 -3.072 6.139 -0.050 978 H41 ACD 201 H41 ACD 1 -2.545 3.670 -0.004 979 H42 ACD 201 H42 ACD 1 -1.116 4.691 -0.241 980 H5 ACD 201 H5 ACD 1 -1.761 3.026 2.237 981 H6 ACD 201 H6 ACD 1 0.385 3.812 2.956 982 H71 ACD 201 H71 ACD 1 0.793 5.087 0.337 983 H72 ACD 201 H72 ACD 1 -0.126 6.234 1.313 984 H8 ACD 201 H8 ACD 1 1.788 6.553 2.837 985 H9 ACD 201 H9 ACD 1 3.874 5.559 2.243 986 H101 ACD 201 H101 ACD 1 2.764 4.726 -0.324 987 H102 ACD 201 H102 ACD 1 2.308 3.456 0.813 988 H11 ACD 201 H11 ACD 1 5.268 4.310 0.659 989 H12 ACD 201 H12 ACD 1 5.568 1.985 0.292 990 H131 ACD 201 H131 ACD 1 2.599 2.063 -0.409 991 H132 ACD 201 H132 ACD 1 3.677 0.667 -0.525 992 H14 ACD 201 H14 ACD 1 2.558 1.710 2.176 993 H15 ACD 201 H15 ACD 1 2.433 -0.628 2.599 994 H161 ACD 201 H161 ACD 1 2.631 -1.302 -0.207 995 H162 ACD 201 H162 ACD 1 4.293 -0.923 0.259 996 H171 ACD 201 H171 ACD 1 4.291 -2.614 1.981 997 H172 ACD 201 H172 ACD 1 2.554 -2.876 1.808 998 H181 ACD 201 H181 ACD 1 4.600 -3.410 -0.388 999 H182 ACD 201 H182 ACD 1 2.873 -3.778 -0.456 1000 H191 ACD 201 H191 ACD 1 4.904 -4.987 1.472 1001 H192 ACD 201 H192 ACD 1 3.167 -5.289 1.548 1002 H201 ACD 201 H201 ACD 1 3.255 -6.224 -0.737 1003 H202 ACD 201 H202 ACD 1 4.318 -7.076 0.329 1004 H203 ACD 201 H203 ACD 1 4.960 -5.935 -0.803 Start of MODEL 22 1 H1 MET 1 1H MET 1 12.596 14.306 -16.827 2 H2 MET 1 2H MET 1 11.240 13.336 -16.560 3 H3 MET 1 3H MET 1 11.972 13.363 -18.082 4 HA MET 1 HA MET 1 12.543 11.351 -16.924 5 HB2 MET 1 1HB MET 1 14.812 13.329 -17.196 6 HB3 MET 1 2HB MET 1 15.031 11.598 -16.989 7 HG2 MET 1 1HG MET 1 13.629 12.942 -19.288 8 HG3 MET 1 2HG MET 1 15.254 12.259 -19.316 9 HE1 MET 1 1HE MET 1 15.779 9.700 -19.050 10 HE2 MET 1 2HE MET 1 14.557 8.440 -18.890 11 HE3 MET 1 3HE MET 1 14.830 9.575 -17.569 12 H GLU 2 H GLU 2 12.181 13.949 -14.925 13 HA GLU 2 HA GLU 2 13.933 13.053 -12.806 14 HB2 GLU 2 1HB GLU 2 13.636 15.434 -13.121 15 HB3 GLU 2 2HB GLU 2 11.901 15.274 -12.909 16 HG2 GLU 2 1HG GLU 2 12.180 14.668 -10.610 17 HG3 GLU 2 2HG GLU 2 13.933 14.639 -10.791 18 H PHE 3 H PHE 3 13.381 11.301 -11.762 19 HA PHE 3 HA PHE 3 10.705 10.437 -11.362 20 HB2 PHE 3 1HB PHE 3 12.567 8.848 -11.387 21 HB3 PHE 3 2HB PHE 3 13.248 9.604 -9.942 22 HD1 PHE 3 HD1 PHE 3 12.262 9.229 -7.769 23 HD2 PHE 3 HD2 PHE 3 10.633 7.424 -11.258 24 HE1 PHE 3 HE1 PHE 3 10.965 7.689 -6.357 25 HE2 PHE 3 HE2 PHE 3 9.330 5.877 -9.852 26 HZ PHE 3 HZ PHE 3 9.494 6.010 -7.399 27 H THR 4 H THR 4 9.327 11.476 -10.136 28 HA THR 4 HA THR 4 10.303 12.884 -7.750 29 HB THR 4 HB THR 4 7.491 13.269 -8.430 30 HG1 THR 4 HG1 THR 4 9.466 13.513 -10.390 31 HG21 THR 4 1HG2 THR 4 8.728 14.630 -6.832 32 HG22 THR 4 2HG2 THR 4 8.126 15.610 -8.167 33 HG23 THR 4 3HG2 THR 4 9.827 15.145 -8.110 34 H VAL 5 H VAL 5 10.084 11.913 -5.898 35 HA VAL 5 HA VAL 5 8.512 9.536 -5.566 36 HB VAL 5 HB VAL 5 9.478 9.286 -3.507 37 HG11 VAL 5 1HG1 VAL 5 11.397 11.282 -4.652 38 HG12 VAL 5 2HG1 VAL 5 11.256 9.600 -5.158 39 HG13 VAL 5 3HG1 VAL 5 11.749 9.986 -3.510 40 HG21 VAL 5 1HG2 VAL 5 10.121 11.094 -1.973 41 HG22 VAL 5 2HG2 VAL 5 8.418 11.188 -2.418 42 HG23 VAL 5 3HG2 VAL 5 9.585 12.284 -3.159 43 H SER 6 H SER 6 6.630 9.246 -4.469 44 HA SER 6 HA SER 6 4.827 11.456 -4.609 45 HB2 SER 6 1HB SER 6 3.222 9.658 -3.670 46 HB3 SER 6 2HB SER 6 3.902 9.414 -5.280 47 HG SER 6 HG SER 6 4.012 7.736 -3.330 48 H THR 7 H THR 7 5.126 12.988 -3.078 49 HA THR 7 HA THR 7 5.661 12.342 -0.332 50 HB THR 7 HB THR 7 5.436 14.735 0.096 51 HG1 THR 7 HG1 THR 7 4.629 14.911 -2.648 52 HG21 THR 7 1HG2 THR 7 6.931 14.253 -2.482 53 HG22 THR 7 2HG2 THR 7 7.541 13.872 -0.874 54 HG23 THR 7 3HG2 THR 7 7.224 15.548 -1.323 55 H THR 8 H THR 8 4.152 13.611 1.320 56 HA THR 8 HA THR 8 1.733 12.297 1.526 57 HB THR 8 HB THR 8 2.216 15.045 2.667 58 HG1 THR 8 HG1 THR 8 3.056 12.670 3.962 59 HG21 THR 8 1HG2 THR 8 0.960 14.110 4.579 60 HG22 THR 8 2HG2 THR 8 0.747 12.608 3.676 61 HG23 THR 8 3HG2 THR 8 0.022 14.102 3.087 62 H GLU 9 H GLU 9 2.447 15.459 0.117 63 HA GLU 9 HA GLU 9 -0.225 16.226 -0.337 64 HB2 GLU 9 1HB GLU 9 2.290 17.116 -1.743 65 HB3 GLU 9 2HB GLU 9 0.728 17.914 -1.851 66 HG2 GLU 9 1HG GLU 9 0.811 18.269 0.602 67 HG3 GLU 9 2HG GLU 9 2.451 17.624 0.590 68 H ASP 10 H ASP 10 2.182 14.640 -2.406 69 HA ASP 10 HA ASP 10 0.584 14.520 -4.735 70 HB2 ASP 10 1HB ASP 10 2.750 12.575 -3.897 71 HB3 ASP 10 2HB ASP 10 2.073 12.758 -5.513 72 H LEU 11 H LEU 11 1.017 12.366 -1.997 73 HA LEU 11 HA LEU 11 -0.437 10.205 -2.950 74 HB2 LEU 11 1HB LEU 11 0.962 9.979 -1.027 75 HB3 LEU 11 2HB LEU 11 0.004 11.156 -0.120 76 HG LEU 11 HG LEU 11 -1.907 9.558 -0.236 77 HD11 LEU 11 1HD1 LEU 11 -1.143 8.348 -2.240 78 HD12 LEU 11 2HD1 LEU 11 -1.521 7.275 -0.895 79 HD13 LEU 11 3HD1 LEU 11 0.161 7.638 -1.288 80 HD21 LEU 11 1HD2 LEU 11 -1.129 8.195 1.544 81 HD22 LEU 11 2HD2 LEU 11 -0.286 9.736 1.681 82 HD23 LEU 11 3HD2 LEU 11 0.542 8.332 1.007 83 H GLN 12 H GLN 12 -1.518 13.058 -1.136 84 HA GLN 12 HA GLN 12 -4.165 12.171 -0.713 85 HB2 GLN 12 1HB GLN 12 -3.016 14.960 -0.832 86 HB3 GLN 12 2HB GLN 12 -4.664 14.603 -0.343 87 HG2 GLN 12 1HG GLN 12 -3.775 13.231 1.510 88 HG3 GLN 12 2HG GLN 12 -2.146 13.725 1.047 89 HE21 GLN 12 1HE2 GLN 12 -3.630 14.159 3.523 90 HE22 GLN 12 2HE2 GLN 12 -3.660 15.873 3.762 91 H ARG 13 H ARG 13 -2.602 13.755 -3.377 92 HA ARG 13 HA ARG 13 -4.885 14.567 -4.812 93 HB2 ARG 13 1HB ARG 13 -2.645 15.395 -5.320 94 HB3 ARG 13 2HB ARG 13 -2.138 13.782 -5.796 95 HG2 ARG 13 1HG ARG 13 -3.617 13.812 -7.690 96 HG3 ARG 13 2HG ARG 13 -4.303 15.361 -7.165 97 HD2 ARG 13 1HD ARG 13 -2.683 15.656 -8.973 98 HD3 ARG 13 2HD ARG 13 -2.150 16.437 -7.487 99 HE ARG 13 HE ARG 13 -1.091 13.885 -8.520 100 HH11 ARG 13 1HH1 ARG 13 -0.701 16.845 -6.680 101 HH12 ARG 13 2HH1 ARG 13 0.983 16.577 -6.372 102 HH21 ARG 13 1HH2 ARG 13 1.142 13.533 -8.099 103 HH22 ARG 13 2HH2 ARG 13 2.027 14.697 -7.153 104 H TYR 14 H TYR 14 -2.910 11.615 -4.975 105 HA TYR 14 HA TYR 14 -4.382 10.429 -7.074 106 HB2 TYR 14 1HB TYR 14 -2.726 8.981 -4.999 107 HB3 TYR 14 2HB TYR 14 -3.166 8.400 -6.601 108 HD1 TYR 14 HD1 TYR 14 -0.400 9.234 -4.982 109 HD2 TYR 14 HD2 TYR 14 -2.597 10.637 -8.343 110 HE1 TYR 14 HE1 TYR 14 1.652 10.220 -5.908 111 HE2 TYR 14 HE2 TYR 14 -0.548 11.614 -9.279 112 HH TYR 14 HH TYR 14 2.528 10.879 -8.165 113 H ARG 15 H ARG 15 -4.706 10.297 -3.568 114 HA ARG 15 HA ARG 15 -6.554 8.160 -3.484 115 HB2 ARG 15 1HB ARG 15 -6.646 10.379 -1.472 116 HB3 ARG 15 2HB ARG 15 -6.939 8.671 -1.246 117 HG2 ARG 15 1HG ARG 15 -4.506 8.266 -1.630 118 HG3 ARG 15 2HG ARG 15 -4.281 10.019 -1.627 119 HD2 ARG 15 1HD ARG 15 -5.335 8.310 0.625 120 HD3 ARG 15 2HD ARG 15 -3.795 9.163 0.575 121 HE ARG 15 HE ARG 15 -5.695 11.114 0.273 122 HH11 ARG 15 1HH1 ARG 15 -5.129 8.571 2.614 123 HH12 ARG 15 2HH1 ARG 15 -5.680 9.517 3.965 124 HH21 ARG 15 1HH2 ARG 15 -6.469 12.354 2.033 125 HH22 ARG 15 2HH2 ARG 15 -6.452 11.672 3.626 126 H THR 16 H THR 16 -6.929 11.601 -3.997 127 HA THR 16 HA THR 16 -9.715 11.719 -3.593 128 HB THR 16 HB THR 16 -7.945 13.468 -5.309 129 HG1 THR 16 HG1 THR 16 -7.274 13.516 -3.154 130 HG21 THR 16 1HG2 THR 16 -9.694 15.168 -5.019 131 HG22 THR 16 2HG2 THR 16 -10.692 13.990 -4.164 132 HG23 THR 16 3HG2 THR 16 -10.306 13.748 -5.869 133 H GLU 17 H GLU 17 -7.741 11.278 -6.514 134 HA GLU 17 HA GLU 17 -9.873 11.096 -8.328 135 HB2 GLU 17 1HB GLU 17 -7.014 10.506 -8.361 136 HB3 GLU 17 2HB GLU 17 -7.938 9.443 -9.396 137 HG2 GLU 17 1HG GLU 17 -7.179 11.317 -10.681 138 HG3 GLU 17 2HG GLU 17 -8.929 11.422 -10.494 139 H CYS 18 H CYS 18 -8.167 8.577 -6.499 140 HA CYS 18 HA CYS 18 -9.625 6.396 -7.526 141 HB2 CYS 18 1HB CYS 18 -8.179 6.711 -4.889 142 HB3 CYS 18 2HB CYS 18 -8.844 5.186 -5.492 143 H VAL 19 H VAL 19 -10.253 8.633 -4.909 144 HA VAL 19 HA VAL 19 -12.368 7.231 -3.713 145 HB VAL 19 HB VAL 19 -11.486 10.086 -3.646 146 HG11 VAL 19 1HG1 VAL 19 -13.312 10.651 -2.140 147 HG12 VAL 19 2HG1 VAL 19 -14.025 9.057 -2.386 148 HG13 VAL 19 3HG1 VAL 19 -13.928 10.196 -3.732 149 HG21 VAL 19 1HG2 VAL 19 -11.879 7.945 -1.559 150 HG22 VAL 19 2HG2 VAL 19 -11.298 9.581 -1.241 151 HG23 VAL 19 3HG2 VAL 19 -10.343 8.485 -2.238 152 H SER 20 H SER 20 -12.349 9.870 -6.072 153 HA SER 20 HA SER 20 -15.133 9.958 -6.436 154 HB2 SER 20 1HB SER 20 -13.545 11.756 -7.070 155 HB3 SER 20 2HB SER 20 -12.965 10.746 -8.392 156 HG SER 20 HG SER 20 -15.598 11.753 -8.045 157 H SER 21 H SER 21 -12.614 8.090 -8.078 158 HA SER 21 HA SER 21 -14.276 7.233 -10.229 159 HB2 SER 21 1HB SER 21 -11.686 6.082 -9.173 160 HB3 SER 21 2HB SER 21 -12.413 5.703 -10.735 161 HG SER 21 HG SER 21 -11.490 8.252 -9.860 162 H LEU 22 H LEU 22 -13.236 5.715 -7.177 163 HA LEU 22 HA LEU 22 -14.732 3.316 -7.832 164 HB2 LEU 22 1HB LEU 22 -12.959 4.055 -5.509 165 HB3 LEU 22 2HB LEU 22 -13.786 2.500 -5.646 166 HG LEU 22 HG LEU 22 -11.854 3.524 -7.718 167 HD11 LEU 22 1HD1 LEU 22 -11.353 1.669 -5.396 168 HD12 LEU 22 2HD1 LEU 22 -10.685 3.289 -5.595 169 HD13 LEU 22 3HD1 LEU 22 -10.217 1.999 -6.704 170 HD21 LEU 22 1HD2 LEU 22 -12.915 0.766 -7.137 171 HD22 LEU 22 2HD2 LEU 22 -11.822 1.222 -8.447 172 HD23 LEU 22 3HD2 LEU 22 -13.480 1.823 -8.430 173 H ASN 23 H ASN 23 -15.779 6.132 -6.889 174 HA ASN 23 HA ASN 23 -17.496 6.987 -5.658 175 HB2 ASN 23 1HB ASN 23 -18.445 4.163 -6.060 176 HB3 ASN 23 2HB ASN 23 -19.428 5.393 -5.293 177 HD21 ASN 23 1HD2 ASN 23 -20.204 7.111 -6.505 178 HD22 ASN 23 2HD2 ASN 23 -20.231 7.068 -8.239 179 H ILE 24 H ILE 24 -15.286 6.250 -4.111 180 HA ILE 24 HA ILE 24 -15.968 4.775 -1.807 181 HB ILE 24 HB ILE 24 -13.924 6.987 -1.991 182 HG12 ILE 24 1HG1 ILE 24 -13.600 5.348 -3.820 183 HG13 ILE 24 2HG1 ILE 24 -12.300 5.273 -2.634 184 HG21 ILE 24 1HG2 ILE 24 -12.786 5.696 -0.228 185 HG22 ILE 24 2HG2 ILE 24 -14.153 4.580 -0.189 186 HG23 ILE 24 3HG2 ILE 24 -14.376 6.269 0.269 187 HD11 ILE 24 1HD1 ILE 24 -14.622 3.369 -2.834 188 HD12 ILE 24 2HD1 ILE 24 -13.305 3.276 -1.663 189 HD13 ILE 24 3HD1 ILE 24 -12.974 3.062 -3.383 190 HA PRO 25 HA PRO 25 -18.809 7.769 -0.024 191 HB2 PRO 25 1HB PRO 25 -18.554 6.024 2.331 192 HB3 PRO 25 2HB PRO 25 -19.991 6.472 1.410 193 HG2 PRO 25 1HG PRO 25 -18.932 4.014 1.294 194 HG3 PRO 25 2HG PRO 25 -19.722 4.777 -0.098 195 HD2 PRO 25 1HD PRO 25 -16.807 4.413 0.467 196 HD3 PRO 25 2HD PRO 25 -17.685 4.331 -1.081 197 H ALA 26 H ALA 26 -18.692 9.397 1.416 198 HA ALA 26 HA ALA 26 -16.223 10.447 2.117 199 HB1 ALA 26 1HB ALA 26 -18.283 11.755 1.878 200 HB2 ALA 26 2HB ALA 26 -17.465 12.090 3.404 201 HB3 ALA 26 3HB ALA 26 -18.893 11.053 3.376 202 H ASP 27 H ASP 27 -18.306 8.302 3.907 203 HA ASP 27 HA ASP 27 -17.249 8.483 6.467 204 HB2 ASP 27 1HB ASP 27 -19.171 7.093 5.961 205 HB3 ASP 27 2HB ASP 27 -18.180 6.022 4.979 206 H TYR 28 H TYR 28 -16.235 6.229 3.897 207 HA TYR 28 HA TYR 28 -14.020 5.243 5.271 208 HB2 TYR 28 1HB TYR 28 -14.841 5.231 2.392 209 HB3 TYR 28 2HB TYR 28 -13.294 4.540 2.886 210 HD1 TYR 28 HD1 TYR 28 -16.957 4.288 3.250 211 HD2 TYR 28 HD2 TYR 28 -13.206 2.436 4.035 212 HE1 TYR 28 HE1 TYR 28 -18.116 2.222 3.900 213 HE2 TYR 28 HE2 TYR 28 -14.359 0.367 4.684 214 HH TYR 28 HH TYR 28 -16.545 -0.339 5.500 215 H VAL 29 H VAL 29 -14.324 7.909 2.959 216 HA VAL 29 HA VAL 29 -11.614 8.490 2.612 217 HB VAL 29 HB VAL 29 -13.867 10.486 2.702 218 HG11 VAL 29 1HG1 VAL 29 -12.424 11.757 1.151 219 HG12 VAL 29 2HG1 VAL 29 -11.157 10.551 1.390 220 HG13 VAL 29 3HG1 VAL 29 -11.699 11.543 2.743 221 HG21 VAL 29 1HG2 VAL 29 -14.479 8.763 1.179 222 HG22 VAL 29 2HG2 VAL 29 -12.863 8.739 0.474 223 HG23 VAL 29 3HG2 VAL 29 -13.911 10.137 0.231 224 H GLU 30 H GLU 30 -13.914 9.560 5.072 225 HA GLU 30 HA GLU 30 -12.177 11.312 6.437 226 HB2 GLU 30 1HB GLU 30 -14.208 11.795 7.206 227 HB3 GLU 30 2HB GLU 30 -14.847 10.221 6.756 228 HG2 GLU 30 1HG GLU 30 -13.951 9.312 8.855 229 HG3 GLU 30 2HG GLU 30 -13.403 10.930 9.293 230 H LYS 31 H LYS 31 -12.801 7.867 6.686 231 HA LYS 31 HA LYS 31 -11.259 7.343 8.996 232 HB2 LYS 31 1HB LYS 31 -11.852 5.556 6.635 233 HB3 LYS 31 2HB LYS 31 -11.104 5.028 8.146 234 HG2 LYS 31 1HG LYS 31 -13.143 5.803 9.344 235 HG3 LYS 31 2HG LYS 31 -13.882 6.110 7.771 236 HD2 LYS 31 1HD LYS 31 -13.567 3.748 7.171 237 HD3 LYS 31 2HD LYS 31 -12.849 3.453 8.767 238 HE2 LYS 31 1HE LYS 31 -15.652 4.474 8.304 239 HE3 LYS 31 2HE LYS 31 -15.237 2.792 8.647 240 HZ1 LYS 31 1HZ LYS 31 -14.177 3.642 10.738 241 HZ2 LYS 31 2HZ LYS 31 -15.865 3.773 10.676 242 HZ3 LYS 31 3HZ LYS 31 -14.904 5.140 10.422 243 H PHE 32 H PHE 32 -10.399 7.413 5.558 244 HA PHE 32 HA PHE 32 -7.738 6.532 5.935 245 HB2 PHE 32 1HB PHE 32 -8.804 8.162 3.629 246 HB3 PHE 32 2HB PHE 32 -7.370 7.139 3.627 247 HD1 PHE 32 HD1 PHE 32 -9.996 7.122 1.869 248 HD2 PHE 32 HD2 PHE 32 -8.586 4.803 5.148 249 HE1 PHE 32 HE1 PHE 32 -11.372 5.226 1.120 250 HE2 PHE 32 HE2 PHE 32 -9.963 2.906 4.404 251 HZ PHE 32 HZ PHE 32 -11.352 3.114 2.382 252 H LYS 33 H LYS 33 -9.239 9.459 6.608 253 HA LYS 33 HA LYS 33 -6.933 11.165 6.395 254 HB2 LYS 33 1HB LYS 33 -9.415 11.857 6.373 255 HB3 LYS 33 2HB LYS 33 -9.360 11.632 8.119 256 HG2 LYS 33 1HG LYS 33 -7.610 13.292 8.308 257 HG3 LYS 33 2HG LYS 33 -7.621 13.519 6.553 258 HD2 LYS 33 1HD LYS 33 -9.879 14.350 6.627 259 HD3 LYS 33 2HD LYS 33 -10.011 13.966 8.343 260 HE2 LYS 33 1HE LYS 33 -8.129 15.983 7.127 261 HE3 LYS 33 2HE LYS 33 -9.629 16.356 7.973 262 HZ1 LYS 33 1HZ LYS 33 -8.686 15.312 9.964 263 HZ2 LYS 33 2HZ LYS 33 -7.762 16.628 9.443 264 HZ3 LYS 33 3HZ LYS 33 -7.232 15.054 9.142 265 H LYS 34 H LYS 34 -8.198 8.901 8.657 266 HA LYS 34 HA LYS 34 -6.345 9.803 10.777 267 HB2 LYS 34 1HB LYS 34 -7.821 8.906 12.376 268 HB3 LYS 34 2HB LYS 34 -8.901 9.563 11.168 269 HG2 LYS 34 1HG LYS 34 -9.214 7.377 10.170 270 HG3 LYS 34 2HG LYS 34 -8.106 6.670 11.343 271 HD2 LYS 34 1HD LYS 34 -10.577 8.143 12.195 272 HD3 LYS 34 2HD LYS 34 -10.623 6.435 11.760 273 HE2 LYS 34 1HE LYS 34 -8.710 6.165 13.453 274 HE3 LYS 34 2HE LYS 34 -9.183 7.761 14.033 275 HZ1 LYS 34 1HZ LYS 34 -10.943 5.370 13.879 276 HZ2 LYS 34 2HZ LYS 34 -11.416 6.903 14.427 277 HZ3 LYS 34 3HZ LYS 34 -10.269 6.013 15.294 278 H TRP 35 H TRP 35 -6.156 7.942 8.278 279 HA TRP 35 HA TRP 35 -5.221 5.987 7.631 280 HB2 TRP 35 1HB TRP 35 -3.774 6.398 10.247 281 HB3 TRP 35 2HB TRP 35 -3.347 5.135 9.086 282 HD1 TRP 35 HD1 TRP 35 -3.575 8.986 9.286 283 HE1 TRP 35 HE1 TRP 35 -1.825 9.990 7.697 284 HE3 TRP 35 HE3 TRP 35 -1.845 4.667 7.152 285 HZ2 TRP 35 HZ2 TRP 35 0.038 9.080 5.797 286 HZ3 TRP 35 HZ3 TRP 35 -0.074 4.828 5.456 287 HH2 TRP 35 HH2 TRP 35 0.849 6.982 4.790 288 H GLU 36 H GLU 36 -7.660 5.476 8.427 289 HA GLU 36 HA GLU 36 -7.430 2.980 9.965 290 HB2 GLU 36 1HB GLU 36 -8.796 4.654 11.136 291 HB3 GLU 36 2HB GLU 36 -9.821 4.810 9.720 292 HG2 GLU 36 1HG GLU 36 -10.530 2.507 9.967 293 HG3 GLU 36 2HG GLU 36 -9.488 2.324 11.374 294 H PHE 37 H PHE 37 -7.446 1.353 8.608 295 HA PHE 37 HA PHE 37 -9.078 1.565 6.163 296 HB2 PHE 37 1HB PHE 37 -6.599 -0.132 6.581 297 HB3 PHE 37 2HB PHE 37 -7.462 0.108 5.065 298 HD1 PHE 37 HD1 PHE 37 -5.313 1.712 7.585 299 HD2 PHE 37 HD2 PHE 37 -7.101 2.062 3.736 300 HE1 PHE 37 HE1 PHE 37 -3.900 3.668 7.107 301 HE2 PHE 37 HE2 PHE 37 -5.699 4.021 3.262 302 HZ PHE 37 HZ PHE 37 -4.092 4.826 4.944 303 HA PRO 38 HA PRO 38 -11.191 -1.743 8.548 304 HB2 PRO 38 1HB PRO 38 -13.352 -0.975 6.693 305 HB3 PRO 38 2HB PRO 38 -13.369 -1.116 8.460 306 HG2 PRO 38 1HG PRO 38 -13.446 1.276 7.286 307 HG3 PRO 38 2HG PRO 38 -12.510 1.007 8.769 308 HD2 PRO 38 1HD PRO 38 -11.528 1.145 5.925 309 HD3 PRO 38 2HD PRO 38 -10.843 1.889 7.403 310 H GLU 39 H GLU 39 -11.785 -3.773 7.957 311 HA GLU 39 HA GLU 39 -10.831 -4.740 5.444 312 HB2 GLU 39 1HB GLU 39 -10.604 -6.040 7.506 313 HB3 GLU 39 2HB GLU 39 -12.352 -6.158 7.630 314 HG2 GLU 39 1HG GLU 39 -12.412 -7.412 5.536 315 HG3 GLU 39 2HG GLU 39 -10.655 -7.304 5.426 316 H ASP 40 H ASP 40 -12.031 -3.836 3.875 317 HA ASP 40 HA ASP 40 -14.634 -4.981 3.341 318 HB2 ASP 40 1HB ASP 40 -15.165 -2.953 4.727 319 HB3 ASP 40 2HB ASP 40 -14.332 -1.962 3.533 320 H ASP 41 H ASP 41 -15.079 -4.956 1.139 321 HA ASP 41 HA ASP 41 -12.822 -4.953 -0.531 322 HB2 ASP 41 1HB ASP 41 -15.754 -4.976 -1.269 323 HB3 ASP 41 2HB ASP 41 -14.446 -5.189 -2.425 324 H THR 42 H THR 42 -15.097 -2.443 0.239 325 HA THR 42 HA THR 42 -14.611 -0.637 -1.845 326 HB THR 42 HB THR 42 -15.096 -0.018 1.075 327 HG1 THR 42 HG1 THR 42 -16.837 -1.168 0.489 328 HG21 THR 42 1HG2 THR 42 -14.353 1.934 -0.124 329 HG22 THR 42 2HG2 THR 42 -16.084 2.067 0.188 330 HG23 THR 42 3HG2 THR 42 -15.507 1.620 -1.419 331 H THR 43 H THR 43 -13.064 -0.790 1.358 332 HA THR 43 HA THR 43 -11.056 1.099 0.913 333 HB THR 43 HB THR 43 -10.843 -1.329 2.694 334 HG1 THR 43 HG1 THR 43 -11.734 0.327 4.259 335 HG21 THR 43 1HG2 THR 43 -9.636 1.435 2.849 336 HG22 THR 43 2HG2 THR 43 -8.777 -0.069 2.524 337 HG23 THR 43 3HG2 THR 43 -9.503 0.208 4.108 338 H MET 44 H MET 44 -11.244 -2.308 0.145 339 HA MET 44 HA MET 44 -8.478 -2.747 -0.198 340 HB2 MET 44 1HB MET 44 -10.815 -4.275 -1.328 341 HB3 MET 44 2HB MET 44 -9.154 -4.849 -1.299 342 HG2 MET 44 1HG MET 44 -9.182 -4.796 1.141 343 HG3 MET 44 2HG MET 44 -10.839 -4.207 1.111 344 HE1 MET 44 1HE MET 44 -11.226 -7.841 2.468 345 HE2 MET 44 2HE MET 44 -11.556 -6.130 2.749 346 HE3 MET 44 3HE MET 44 -9.896 -6.726 2.786 347 H CYS 45 H CYS 45 -11.076 -2.267 -2.595 348 HA CYS 45 HA CYS 45 -9.325 -2.221 -4.815 349 HB2 CYS 45 1HB CYS 45 -12.105 -1.068 -4.499 350 HB3 CYS 45 2HB CYS 45 -11.234 -1.147 -6.025 351 H TYR 46 H TYR 46 -10.363 0.210 -2.549 352 HA TYR 46 HA TYR 46 -9.514 2.503 -3.892 353 HB2 TYR 46 1HB TYR 46 -10.805 2.847 -1.973 354 HB3 TYR 46 2HB TYR 46 -9.815 1.767 -0.995 355 HD1 TYR 46 HD1 TYR 46 -8.275 2.679 0.464 356 HD2 TYR 46 HD2 TYR 46 -9.603 5.016 -2.839 357 HE1 TYR 46 HE1 TYR 46 -7.036 4.611 1.340 358 HE2 TYR 46 HE2 TYR 46 -8.364 6.952 -1.968 359 HH TYR 46 HH TYR 46 -6.226 6.681 0.808 360 H ILE 47 H ILE 47 -7.792 0.439 -1.573 361 HA ILE 47 HA ILE 47 -5.328 1.736 -1.660 362 HB ILE 47 HB ILE 47 -5.994 -1.148 -1.106 363 HG12 ILE 47 1HG1 ILE 47 -6.924 0.431 0.505 364 HG13 ILE 47 2HG1 ILE 47 -5.625 -0.493 1.254 365 HG21 ILE 47 1HG2 ILE 47 -3.744 -1.316 -0.085 366 HG22 ILE 47 2HG2 ILE 47 -3.355 0.266 -0.763 367 HG23 ILE 47 3HG2 ILE 47 -3.703 -1.092 -1.834 368 HD11 ILE 47 1HD1 ILE 47 -5.536 2.359 0.300 369 HD12 ILE 47 2HD1 ILE 47 -4.114 1.454 0.821 370 HD13 ILE 47 3HD1 ILE 47 -5.426 1.765 1.957 371 H LYS 48 H LYS 48 -6.657 -0.823 -3.691 372 HA LYS 48 HA LYS 48 -4.315 -1.459 -5.081 373 HB2 LYS 48 1HB LYS 48 -6.460 -2.780 -5.045 374 HB3 LYS 48 2HB LYS 48 -7.134 -1.609 -6.163 375 HG2 LYS 48 1HG LYS 48 -4.589 -3.011 -6.847 376 HG3 LYS 48 2HG LYS 48 -6.131 -3.844 -7.041 377 HD2 LYS 48 1HD LYS 48 -6.917 -2.089 -8.528 378 HD3 LYS 48 2HD LYS 48 -5.424 -1.182 -8.281 379 HE2 LYS 48 1HE LYS 48 -4.139 -2.909 -9.356 380 HE3 LYS 48 2HE LYS 48 -5.557 -3.950 -9.467 381 HZ1 LYS 48 1HZ LYS 48 -6.573 -2.372 -10.970 382 HZ2 LYS 48 2HZ LYS 48 -5.067 -2.849 -11.571 383 HZ3 LYS 48 3HZ LYS 48 -5.243 -1.337 -10.841 384 H CYS 49 H CYS 49 -6.959 0.774 -5.898 385 HA CYS 49 HA CYS 49 -5.942 1.740 -8.295 386 HB2 CYS 49 1HB CYS 49 -8.173 2.260 -7.737 387 HB3 CYS 49 2HB CYS 49 -7.718 3.040 -6.224 388 H VAL 50 H VAL 50 -5.465 3.019 -5.001 389 HA VAL 50 HA VAL 50 -3.957 5.256 -5.707 390 HB VAL 50 HB VAL 50 -4.047 3.665 -3.148 391 HG11 VAL 50 1HG1 VAL 50 -3.040 5.621 -2.064 392 HG12 VAL 50 2HG1 VAL 50 -2.803 6.368 -3.646 393 HG13 VAL 50 3HG1 VAL 50 -1.948 4.880 -3.234 394 HG21 VAL 50 1HG2 VAL 50 -5.388 6.185 -4.065 395 HG22 VAL 50 2HG2 VAL 50 -5.400 5.616 -2.396 396 HG23 VAL 50 3HG2 VAL 50 -6.149 4.647 -3.665 397 H PHE 51 H PHE 51 -2.985 2.020 -4.698 398 HA PHE 51 HA PHE 51 -0.213 2.507 -4.709 399 HB2 PHE 51 1HB PHE 51 -1.990 0.135 -4.528 400 HB3 PHE 51 2HB PHE 51 -0.317 -0.160 -4.991 401 HD1 PHE 51 HD1 PHE 51 -1.432 2.509 -2.698 402 HD2 PHE 51 HD2 PHE 51 0.336 -1.347 -3.051 403 HE1 PHE 51 HE1 PHE 51 -0.812 2.578 -0.319 404 HE2 PHE 51 HE2 PHE 51 0.959 -1.280 -0.674 405 HZ PHE 51 HZ PHE 51 0.387 0.684 0.695 406 H ASN 52 H ASN 52 -2.496 1.700 -7.174 407 HA ASN 52 HA ASN 52 -0.543 0.699 -9.045 408 HB2 ASN 52 1HB ASN 52 -2.895 -0.097 -9.042 409 HB3 ASN 52 2HB ASN 52 -3.422 1.524 -9.515 410 HD21 ASN 52 1HD2 ASN 52 -0.552 -0.173 -10.697 411 HD22 ASN 52 2HD2 ASN 52 -1.093 -0.295 -12.335 412 H LYS 53 H LYS 53 -2.303 3.706 -8.492 413 HA LYS 53 HA LYS 53 -1.396 4.960 -10.877 414 HB2 LYS 53 1HB LYS 53 -2.760 5.947 -8.396 415 HB3 LYS 53 2HB LYS 53 -2.151 7.091 -9.584 416 HG2 LYS 53 1HG LYS 53 -4.184 4.916 -10.064 417 HG3 LYS 53 2HG LYS 53 -4.509 6.644 -9.946 418 HD2 LYS 53 1HD LYS 53 -2.805 5.314 -12.059 419 HD3 LYS 53 2HD LYS 53 -4.465 5.860 -12.275 420 HE2 LYS 53 1HE LYS 53 -2.158 7.657 -11.535 421 HE3 LYS 53 2HE LYS 53 -2.764 7.433 -13.174 422 HZ1 LYS 53 1HZ LYS 53 -4.418 8.420 -10.921 423 HZ2 LYS 53 2HZ LYS 53 -4.852 8.365 -12.552 424 HZ3 LYS 53 3HZ LYS 53 -3.642 9.428 -12.033 425 H MET 54 H MET 54 -0.183 4.752 -7.602 426 HA MET 54 HA MET 54 1.920 6.658 -8.099 427 HB2 MET 54 1HB MET 54 1.257 4.831 -5.813 428 HB3 MET 54 2HB MET 54 2.814 5.650 -5.883 429 HG2 MET 54 1HG MET 54 1.509 7.800 -6.122 430 HG3 MET 54 2HG MET 54 0.078 6.860 -5.720 431 HE1 MET 54 1HE MET 54 -0.077 5.405 -3.483 432 HE2 MET 54 2HE MET 54 1.037 5.559 -2.128 433 HE3 MET 54 3HE MET 54 1.559 4.762 -3.612 434 H GLN 55 H GLN 55 1.397 3.795 -9.367 435 HA GLN 55 HA GLN 55 2.566 2.121 -10.276 436 HB2 GLN 55 1HB GLN 55 4.396 4.446 -10.411 437 HB3 GLN 55 2HB GLN 55 5.037 2.865 -10.875 438 HG2 GLN 55 1HG GLN 55 3.305 2.629 -12.537 439 HG3 GLN 55 2HG GLN 55 2.547 4.121 -12.000 440 HE21 GLN 55 1HE2 GLN 55 5.200 2.725 -13.746 441 HE22 GLN 55 2HE2 GLN 55 5.723 4.183 -14.522 442 H LEU 56 H LEU 56 2.320 1.688 -7.700 443 HA LEU 56 HA LEU 56 4.951 0.785 -6.797 444 HB2 LEU 56 1HB LEU 56 2.782 2.216 -5.437 445 HB3 LEU 56 2HB LEU 56 3.406 0.844 -4.511 446 HG LEU 56 HG LEU 56 5.030 3.151 -5.592 447 HD11 LEU 56 1HD1 LEU 56 5.239 3.814 -3.233 448 HD12 LEU 56 2HD1 LEU 56 4.110 2.537 -2.786 449 HD13 LEU 56 3HD1 LEU 56 3.568 3.877 -3.793 450 HD21 LEU 56 1HD2 LEU 56 6.382 1.174 -5.463 451 HD22 LEU 56 2HD2 LEU 56 5.765 0.810 -3.852 452 HD23 LEU 56 3HD2 LEU 56 6.788 2.224 -4.106 453 H PHE 57 H PHE 57 1.798 -0.076 -7.692 454 HA PHE 57 HA PHE 57 2.350 -2.877 -7.110 455 HB2 PHE 57 1HB PHE 57 0.924 -2.218 -5.247 456 HB3 PHE 57 2HB PHE 57 -0.223 -1.463 -6.346 457 HD1 PHE 57 HD1 PHE 57 -1.846 -2.758 -7.533 458 HD2 PHE 57 HD2 PHE 57 1.090 -4.664 -5.107 459 HE1 PHE 57 HE1 PHE 57 -3.109 -4.863 -7.665 460 HE2 PHE 57 HE2 PHE 57 -0.171 -6.771 -5.236 461 HZ PHE 57 HZ PHE 57 -2.271 -6.871 -6.513 462 H ASP 58 H ASP 58 1.620 -4.244 -8.647 463 HA ASP 58 HA ASP 58 -0.030 -3.147 -10.825 464 HB2 ASP 58 1HB ASP 58 2.266 -3.278 -11.630 465 HB3 ASP 58 2HB ASP 58 2.411 -4.933 -11.044 466 H ASP 59 H ASP 59 -1.489 -4.656 -11.782 467 HA ASP 59 HA ASP 59 -2.349 -6.655 -9.890 468 HB2 ASP 59 1HB ASP 59 -4.299 -6.925 -11.255 469 HB3 ASP 59 2HB ASP 59 -3.952 -5.213 -11.145 470 H THR 60 H THR 60 -0.210 -6.675 -12.486 471 HA THR 60 HA THR 60 -0.624 -9.513 -13.018 472 HB THR 60 HB THR 60 1.127 -7.434 -14.316 473 HG1 THR 60 HG1 THR 60 -0.766 -7.276 -15.288 474 HG21 THR 60 1HG2 THR 60 0.999 -10.382 -14.959 475 HG22 THR 60 2HG2 THR 60 2.373 -9.536 -14.245 476 HG23 THR 60 3HG2 THR 60 1.858 -9.155 -15.888 477 H GLU 61 H GLU 61 2.239 -7.446 -12.347 478 HA GLU 61 HA GLU 61 3.740 -9.704 -11.388 479 HB2 GLU 61 1HB GLU 61 4.547 -6.839 -10.995 480 HB3 GLU 61 2HB GLU 61 5.559 -8.259 -11.197 481 HG2 GLU 61 1HG GLU 61 4.667 -8.426 -13.536 482 HG3 GLU 61 2HG GLU 61 3.968 -6.829 -13.290 483 H GLY 62 H GLY 62 1.585 -7.488 -9.944 484 HA2 GLY 62 1HA GLY 62 0.860 -7.443 -7.732 485 HA3 GLY 62 2HA GLY 62 2.195 -8.514 -7.303 486 HA PRO 63 HA PRO 63 3.347 -4.487 -5.489 487 HB2 PRO 63 1HB PRO 63 5.068 -5.603 -3.653 488 HB3 PRO 63 2HB PRO 63 3.338 -5.353 -3.382 489 HG2 PRO 63 1HG PRO 63 4.814 -7.821 -4.135 490 HG3 PRO 63 2HG PRO 63 3.420 -7.630 -3.066 491 HD2 PRO 63 1HD PRO 63 3.256 -8.567 -5.606 492 HD3 PRO 63 2HD PRO 63 1.927 -7.694 -4.812 493 H LEU 64 H LEU 64 4.806 -3.294 -6.473 494 HA LEU 64 HA LEU 64 6.978 -4.532 -7.930 495 HB2 LEU 64 1HB LEU 64 6.390 -1.583 -7.657 496 HB3 LEU 64 2HB LEU 64 7.366 -2.365 -8.882 497 HG LEU 64 HG LEU 64 4.385 -2.730 -8.589 498 HD11 LEU 64 1HD1 LEU 64 5.962 -1.143 -10.612 499 HD12 LEU 64 2HD1 LEU 64 4.963 -0.470 -9.323 500 HD13 LEU 64 3HD1 LEU 64 4.217 -1.400 -10.621 501 HD21 LEU 64 1HD2 LEU 64 5.586 -4.665 -9.517 502 HD22 LEU 64 2HD2 LEU 64 6.260 -3.620 -10.769 503 HD23 LEU 64 3HD2 LEU 64 4.517 -3.892 -10.693 504 H VAL 65 H VAL 65 8.317 -5.311 -6.406 505 HA VAL 65 HA VAL 65 9.059 -4.271 -3.992 506 HB VAL 65 HB VAL 65 10.666 -5.994 -5.864 507 HG11 VAL 65 1HG1 VAL 65 11.976 -6.655 -3.909 508 HG12 VAL 65 2HG1 VAL 65 11.111 -5.471 -2.926 509 HG13 VAL 65 3HG1 VAL 65 12.152 -4.932 -4.246 510 HG21 VAL 65 1HG2 VAL 65 9.881 -7.800 -4.364 511 HG22 VAL 65 2HG2 VAL 65 8.578 -6.993 -5.232 512 HG23 VAL 65 3HG2 VAL 65 8.867 -6.619 -3.534 513 H ASP 66 H ASP 66 10.659 -3.722 -7.117 514 HA ASP 66 HA ASP 66 12.900 -2.364 -6.170 515 HB2 ASP 66 1HB ASP 66 12.786 -3.175 -8.429 516 HB3 ASP 66 2HB ASP 66 11.445 -2.100 -8.799 517 H ASN 67 H ASN 67 9.831 -0.964 -7.365 518 HA ASN 67 HA ASN 67 10.546 1.705 -6.718 519 HB2 ASN 67 1HB ASN 67 7.879 0.408 -7.255 520 HB3 ASN 67 2HB ASN 67 8.046 2.118 -6.888 521 HD21 ASN 67 1HD2 ASN 67 7.283 2.779 -8.866 522 HD22 ASN 67 2HD2 ASN 67 8.190 2.587 -10.327 523 H LEU 68 H LEU 68 8.929 -0.871 -5.001 524 HA LEU 68 HA LEU 68 7.863 0.567 -2.868 525 HB2 LEU 68 1HB LEU 68 8.730 -2.267 -3.244 526 HB3 LEU 68 2HB LEU 68 8.269 -1.710 -1.642 527 HG LEU 68 HG LEU 68 6.465 -1.377 -4.028 528 HD11 LEU 68 1HD1 LEU 68 7.001 -3.762 -3.743 529 HD12 LEU 68 2HD1 LEU 68 5.319 -3.402 -3.352 530 HD13 LEU 68 3HD1 LEU 68 6.492 -3.660 -2.058 531 HD21 LEU 68 1HD2 LEU 68 6.014 0.003 -2.057 532 HD22 LEU 68 2HD2 LEU 68 5.943 -1.452 -1.064 533 HD23 LEU 68 3HD2 LEU 68 4.744 -1.189 -2.330 534 H VAL 69 H VAL 69 11.007 -1.067 -3.109 535 HA VAL 69 HA VAL 69 11.963 -0.188 -0.587 536 HB VAL 69 HB VAL 69 13.501 -1.053 -3.028 537 HG11 VAL 69 1HG1 VAL 69 14.938 0.149 -1.518 538 HG12 VAL 69 2HG1 VAL 69 15.292 -1.574 -1.399 539 HG13 VAL 69 3HG1 VAL 69 14.333 -0.780 -0.148 540 HG21 VAL 69 1HG2 VAL 69 13.575 -3.234 -1.989 541 HG22 VAL 69 2HG2 VAL 69 11.901 -2.726 -2.211 542 HG23 VAL 69 3HG2 VAL 69 12.648 -2.634 -0.614 543 H HIS 70 H HIS 70 12.129 1.128 -3.853 544 HA HIS 70 HA HIS 70 14.023 3.140 -3.381 545 HB2 HIS 70 1HB HIS 70 13.133 2.331 -5.617 546 HB3 HIS 70 2HB HIS 70 11.714 3.323 -5.319 547 HD1 HIS 70 HD1 HIS 70 14.964 3.427 -6.855 548 HD2 HIS 70 HD2 HIS 70 12.479 6.191 -4.996 549 HE1 HIS 70 HE1 HIS 70 15.810 5.683 -7.568 550 HE2 HIS 70 HE2 HIS 70 14.403 7.337 -6.289 551 H GLN 71 H GLN 71 10.619 2.940 -2.725 552 HA GLN 71 HA GLN 71 10.367 5.781 -2.128 553 HB2 GLN 71 1HB GLN 71 8.585 4.291 -3.266 554 HB3 GLN 71 2HB GLN 71 8.281 3.667 -1.648 555 HG2 GLN 71 1HG GLN 71 6.698 5.412 -2.207 556 HG3 GLN 71 2HG GLN 71 7.725 5.885 -0.855 557 HE21 GLN 71 1HE2 GLN 71 7.314 8.073 -1.201 558 HE22 GLN 71 2HE2 GLN 71 7.999 8.933 -2.526 559 H LEU 72 H LEU 72 9.806 2.725 -0.403 560 HA LEU 72 HA LEU 72 9.299 3.920 2.076 561 HB2 LEU 72 1HB LEU 72 10.139 1.115 1.390 562 HB3 LEU 72 2HB LEU 72 9.674 1.614 3.000 563 HG LEU 72 HG LEU 72 7.878 1.772 0.578 564 HD11 LEU 72 1HD1 LEU 72 6.727 -0.161 1.548 565 HD12 LEU 72 2HD1 LEU 72 7.944 -0.248 2.822 566 HD13 LEU 72 3HD1 LEU 72 8.400 -0.550 1.145 567 HD21 LEU 72 1HD2 LEU 72 6.106 2.009 2.327 568 HD22 LEU 72 2HD2 LEU 72 7.205 3.383 2.203 569 HD23 LEU 72 3HD2 LEU 72 7.392 2.221 3.518 570 H ALA 73 H ALA 73 12.293 2.514 0.773 571 HA ALA 73 HA ALA 73 13.710 2.760 3.238 572 HB1 ALA 73 1HB ALA 73 15.618 1.958 2.021 573 HB2 ALA 73 2HB ALA 73 14.808 2.275 0.487 574 HB3 ALA 73 3HB ALA 73 14.189 1.027 1.567 575 H HIS 74 H HIS 74 12.617 5.284 2.297 576 HA HIS 74 HA HIS 74 14.721 6.927 1.289 577 HB2 HIS 74 1HB HIS 74 12.288 7.526 1.155 578 HB3 HIS 74 2HB HIS 74 12.296 7.786 2.896 579 HD1 HIS 74 HD1 HIS 74 12.158 9.738 0.087 580 HD2 HIS 74 HD2 HIS 74 14.761 9.752 3.325 581 HE1 HIS 74 HE1 HIS 74 13.126 12.058 0.169 582 HE2 HIS 74 HE2 HIS 74 14.771 12.016 2.076 583 H GLY 75 H GLY 75 16.578 6.834 2.436 584 HA2 GLY 75 1HA GLY 75 18.028 7.532 4.095 585 HA3 GLY 75 2HA GLY 75 16.653 8.185 4.973 586 H ARG 76 H ARG 76 16.803 4.871 3.884 587 HA ARG 76 HA ARG 76 17.552 3.918 6.524 588 HB2 ARG 76 1HB ARG 76 14.825 3.659 5.350 589 HB3 ARG 76 2HB ARG 76 15.451 2.309 6.297 590 HG2 ARG 76 1HG ARG 76 15.864 3.939 8.149 591 HG3 ARG 76 2HG ARG 76 15.007 5.150 7.195 592 HD2 ARG 76 1HD ARG 76 13.069 3.570 7.121 593 HD3 ARG 76 2HD ARG 76 13.925 2.567 8.288 594 HE ARG 76 HE ARG 76 13.579 5.329 9.070 595 HH11 ARG 76 1HH1 ARG 76 12.275 2.083 9.203 596 HH12 ARG 76 2HH1 ARG 76 11.268 2.412 10.575 597 HH21 ARG 76 1HH2 ARG 76 12.254 5.764 10.862 598 HH22 ARG 76 2HH2 ARG 76 11.256 4.508 11.523 599 H ASP 77 H ASP 77 17.845 1.516 6.515 600 HA ASP 77 HA ASP 77 19.451 0.818 4.305 601 HB2 ASP 77 1HB ASP 77 18.462 -0.848 6.618 602 HB3 ASP 77 2HB ASP 77 19.620 -1.416 5.417 603 H ALA 78 H ALA 78 18.696 0.447 2.418 604 HA ALA 78 HA ALA 78 16.151 -0.350 1.683 605 HB1 ALA 78 1HB ALA 78 17.072 -0.707 -0.517 606 HB2 ALA 78 2HB ALA 78 18.702 -0.777 0.152 607 HB3 ALA 78 3HB ALA 78 17.789 0.731 0.212 608 H GLU 79 H GLU 79 18.960 -2.305 2.472 609 HA GLU 79 HA GLU 79 18.115 -4.762 1.432 610 HB2 GLU 79 1HB GLU 79 19.848 -4.129 3.812 611 HB3 GLU 79 2HB GLU 79 19.562 -5.769 3.250 612 HG2 GLU 79 1HG GLU 79 20.448 -5.026 1.012 613 HG3 GLU 79 2HG GLU 79 20.964 -3.541 1.808 614 H GLU 80 H GLU 80 17.589 -3.380 4.667 615 HA GLU 80 HA GLU 80 16.053 -5.559 5.628 616 HB2 GLU 80 1HB GLU 80 16.269 -2.689 6.509 617 HB3 GLU 80 2HB GLU 80 15.275 -3.875 7.346 618 HG2 GLU 80 1HG GLU 80 17.381 -5.247 7.591 619 HG3 GLU 80 2HG GLU 80 18.253 -3.823 7.041 620 H VAL 81 H VAL 81 15.213 -2.415 4.249 621 HA VAL 81 HA VAL 81 12.455 -2.530 4.456 622 HB VAL 81 HB VAL 81 14.130 -1.253 2.300 623 HG11 VAL 81 1HG1 VAL 81 12.183 0.208 1.928 624 HG12 VAL 81 2HG1 VAL 81 11.244 -0.792 3.041 625 HG13 VAL 81 3HG1 VAL 81 11.840 -1.475 1.528 626 HG21 VAL 81 1HG2 VAL 81 14.725 -0.429 4.442 627 HG22 VAL 81 2HG2 VAL 81 13.033 -0.269 4.914 628 HG23 VAL 81 3HG2 VAL 81 13.706 0.783 3.670 629 H ARG 82 H ARG 82 14.490 -3.610 1.725 630 HA ARG 82 HA ARG 82 12.481 -4.623 0.085 631 HB2 ARG 82 1HB ARG 82 14.902 -4.306 -0.493 632 HB3 ARG 82 2HB ARG 82 15.250 -5.777 0.404 633 HG2 ARG 82 1HG ARG 82 13.800 -7.034 -1.088 634 HG3 ARG 82 2HG ARG 82 13.468 -5.563 -1.997 635 HD2 ARG 82 1HD ARG 82 15.938 -5.368 -2.378 636 HD3 ARG 82 2HD ARG 82 16.097 -6.985 -1.699 637 HE ARG 82 HE ARG 82 14.430 -7.585 -3.570 638 HH11 ARG 82 1HH1 ARG 82 16.987 -5.208 -3.792 639 HH12 ARG 82 2HH1 ARG 82 17.145 -5.349 -5.511 640 HH21 ARG 82 1HH2 ARG 82 14.626 -7.775 -5.838 641 HH22 ARG 82 2HH2 ARG 82 15.788 -6.802 -6.683 642 H THR 83 H THR 83 14.277 -6.119 2.707 643 HA THR 83 HA THR 83 13.334 -8.740 2.423 644 HB THR 83 HB THR 83 14.452 -7.178 4.739 645 HG1 THR 83 HG1 THR 83 16.005 -7.700 3.298 646 HG21 THR 83 1HG2 THR 83 12.958 -8.854 5.704 647 HG22 THR 83 2HG2 THR 83 14.648 -9.272 5.995 648 HG23 THR 83 3HG2 THR 83 13.735 -10.110 4.742 649 H GLU 84 H GLU 84 12.279 -6.158 4.650 650 HA GLU 84 HA GLU 84 10.142 -7.549 5.773 651 HB2 GLU 84 1HB GLU 84 10.441 -4.566 5.459 652 HB3 GLU 84 2HB GLU 84 9.375 -5.392 6.589 653 HG2 GLU 84 1HG GLU 84 11.462 -6.487 7.515 654 HG3 GLU 84 2HG GLU 84 12.367 -5.292 6.594 655 H VAL 85 H VAL 85 10.235 -5.480 2.896 656 HA VAL 85 HA VAL 85 7.491 -5.501 2.319 657 HB VAL 85 HB VAL 85 9.921 -5.317 0.546 658 HG11 VAL 85 1HG1 VAL 85 8.190 -6.371 -0.785 659 HG12 VAL 85 2HG1 VAL 85 8.405 -4.694 -1.298 660 HG13 VAL 85 3HG1 VAL 85 7.028 -5.143 -0.286 661 HG21 VAL 85 1HG2 VAL 85 9.166 -3.000 0.283 662 HG22 VAL 85 2HG2 VAL 85 9.468 -3.414 1.972 663 HG23 VAL 85 3HG2 VAL 85 7.812 -3.327 1.368 664 H LEU 86 H LEU 86 10.073 -7.715 1.257 665 HA LEU 86 HA LEU 86 8.536 -9.366 -0.361 666 HB2 LEU 86 1HB LEU 86 11.029 -9.933 1.233 667 HB3 LEU 86 2HB LEU 86 10.322 -11.082 0.099 668 HG LEU 86 HG LEU 86 11.161 -8.311 -0.709 669 HD11 LEU 86 1HD1 LEU 86 13.212 -9.319 -1.559 670 HD12 LEU 86 2HD1 LEU 86 12.747 -10.870 -0.857 671 HD13 LEU 86 3HD1 LEU 86 13.093 -9.493 0.192 672 HD21 LEU 86 1HD2 LEU 86 11.181 -9.337 -2.945 673 HD22 LEU 86 2HD2 LEU 86 9.588 -9.387 -2.194 674 HD23 LEU 86 3HD2 LEU 86 10.586 -10.839 -2.239 675 H LYS 87 H LYS 87 8.950 -9.366 3.110 676 HA LYS 87 HA LYS 87 7.831 -11.942 3.592 677 HB2 LYS 87 1HB LYS 87 8.225 -9.516 5.343 678 HB3 LYS 87 2HB LYS 87 7.500 -11.002 5.942 679 HG2 LYS 87 1HG LYS 87 9.490 -12.232 5.558 680 HG3 LYS 87 2HG LYS 87 10.213 -10.896 4.645 681 HD2 LYS 87 1HD LYS 87 11.140 -11.073 6.905 682 HD3 LYS 87 2HD LYS 87 10.299 -9.548 6.667 683 HE2 LYS 87 1HE LYS 87 8.349 -10.438 7.842 684 HE3 LYS 87 2HE LYS 87 9.188 -11.973 8.066 685 HZ1 LYS 87 1HZ LYS 87 10.117 -9.363 9.141 686 HZ2 LYS 87 2HZ LYS 87 10.834 -10.870 9.413 687 HZ3 LYS 87 3HZ LYS 87 9.299 -10.543 10.037 688 H CYS 88 H CYS 88 6.484 -9.014 2.620 689 HA CYS 88 HA CYS 88 3.812 -9.802 3.545 690 HB2 CYS 88 1HB CYS 88 5.038 -7.154 2.846 691 HB3 CYS 88 2HB CYS 88 3.276 -7.359 2.817 692 H VAL 89 H VAL 89 5.796 -9.925 0.876 693 HA VAL 89 HA VAL 89 3.825 -9.391 -1.157 694 HB VAL 89 HB VAL 89 6.597 -10.568 -1.343 695 HG11 VAL 89 1HG1 VAL 89 4.667 -9.749 -3.501 696 HG12 VAL 89 2HG1 VAL 89 5.301 -11.366 -3.198 697 HG13 VAL 89 3HG1 VAL 89 6.375 -10.091 -3.775 698 HG21 VAL 89 1HG2 VAL 89 6.599 -8.242 -0.641 699 HG22 VAL 89 2HG2 VAL 89 5.562 -7.810 -2.001 700 HG23 VAL 89 3HG2 VAL 89 7.203 -8.388 -2.291 701 H ASP 90 H ASP 90 2.213 -10.782 -1.360 702 HA ASP 90 HA ASP 90 2.773 -13.661 -1.215 703 HB2 ASP 90 1HB ASP 90 0.117 -12.218 -1.052 704 HB3 ASP 90 2HB ASP 90 0.327 -13.966 -0.954 705 H LYS 91 H LYS 91 1.453 -15.006 -2.723 706 HA LYS 91 HA LYS 91 1.629 -13.964 -5.436 707 HB2 LYS 91 1HB LYS 91 0.704 -16.720 -4.644 708 HB3 LYS 91 2HB LYS 91 1.418 -16.192 -6.163 709 HG2 LYS 91 1HG LYS 91 3.540 -15.784 -4.976 710 HG3 LYS 91 2HG LYS 91 2.816 -16.474 -3.529 711 HD2 LYS 91 1HD LYS 91 2.870 -18.004 -6.104 712 HD3 LYS 91 2HD LYS 91 4.272 -17.982 -5.040 713 HE2 LYS 91 1HE LYS 91 3.016 -19.934 -4.525 714 HE3 LYS 91 2HE LYS 91 2.785 -18.799 -3.201 715 HZ1 LYS 91 1HZ LYS 91 0.739 -19.953 -3.953 716 HZ2 LYS 91 2HZ LYS 91 0.854 -19.133 -5.426 717 HZ3 LYS 91 3HZ LYS 91 0.627 -18.271 -3.990 718 H ASN 92 H ASN 92 -0.137 -14.227 -6.947 719 HA ASN 92 HA ASN 92 -2.602 -13.268 -5.798 720 HB2 ASN 92 1HB ASN 92 -1.665 -12.386 -7.941 721 HB3 ASN 92 2HB ASN 92 -2.018 -13.943 -8.678 722 HD21 ASN 92 1HD2 ASN 92 -3.373 -12.860 -10.165 723 HD22 ASN 92 2HD2 ASN 92 -4.967 -12.346 -9.722 724 H THR 93 H THR 93 -2.922 -15.292 -4.567 725 HA THR 93 HA THR 93 -4.102 -17.469 -6.099 726 HB THR 93 HB THR 93 -4.484 -18.493 -3.866 727 HG1 THR 93 HG1 THR 93 -4.618 -16.966 -2.346 728 HG21 THR 93 1HG2 THR 93 -2.120 -18.845 -3.313 729 HG22 THR 93 2HG2 THR 93 -1.683 -17.484 -4.350 730 HG23 THR 93 3HG2 THR 93 -2.410 -18.931 -5.050 731 H ASP 94 H ASP 94 -5.013 -14.561 -4.607 732 HA ASP 94 HA ASP 94 -7.676 -15.243 -3.841 733 HB2 ASP 94 1HB ASP 94 -6.534 -12.499 -4.413 734 HB3 ASP 94 2HB ASP 94 -7.981 -12.865 -3.465 735 H ASN 95 H ASN 95 -6.162 -14.062 -6.716 736 HA ASN 95 HA ASN 95 -6.852 -13.640 -8.811 737 HB2 ASN 95 1HB ASN 95 -9.197 -15.248 -7.870 738 HB3 ASN 95 2HB ASN 95 -9.166 -14.533 -9.473 739 HD21 ASN 95 1HD2 ASN 95 -7.750 -16.888 -7.361 740 HD22 ASN 95 2HD2 ASN 95 -6.897 -17.767 -8.590 741 H ASN 96 H ASN 96 -7.549 -11.862 -6.464 742 HA ASN 96 HA ASN 96 -9.131 -10.017 -8.089 743 HB2 ASN 96 1HB ASN 96 -9.717 -9.437 -5.348 744 HB3 ASN 96 2HB ASN 96 -10.837 -9.855 -6.638 745 HD21 ASN 96 1HD2 ASN 96 -11.588 -11.965 -6.789 746 HD22 ASN 96 2HD2 ASN 96 -11.380 -13.106 -5.508 747 H ALA 97 H ALA 97 -7.970 -8.277 -8.415 748 HA ALA 97 HA ALA 97 -5.449 -7.881 -7.262 749 HB1 ALA 97 1HB ALA 97 -7.132 -5.882 -8.762 750 HB2 ALA 97 2HB ALA 97 -6.068 -7.083 -9.494 751 HB3 ALA 97 3HB ALA 97 -5.391 -5.796 -8.498 752 H CYS 98 H CYS 98 -8.603 -6.618 -6.387 753 HA CYS 98 HA CYS 98 -7.702 -4.483 -4.760 754 HB2 CYS 98 1HB CYS 98 -10.254 -6.082 -4.481 755 HB3 CYS 98 2HB CYS 98 -9.929 -4.512 -3.758 756 H HIS 99 H HIS 99 -8.389 -7.889 -4.030 757 HA HIS 99 HA HIS 99 -7.929 -7.486 -1.211 758 HB2 HIS 99 1HB HIS 99 -9.532 -9.196 -2.221 759 HB3 HIS 99 2HB HIS 99 -8.109 -10.142 -2.640 760 HD1 HIS 99 HD1 HIS 99 -7.670 -11.930 -0.970 761 HD2 HIS 99 HD2 HIS 99 -9.381 -8.554 0.774 762 HE1 HIS 99 HE1 HIS 99 -7.946 -12.479 1.466 763 HE2 HIS 99 HE2 HIS 99 -9.132 -10.497 2.458 764 H TRP 100 H TRP 100 -6.127 -8.436 -3.988 765 HA TRP 100 HA TRP 100 -3.968 -9.726 -2.689 766 HB2 TRP 100 1HB TRP 100 -4.506 -9.909 -5.129 767 HB3 TRP 100 2HB TRP 100 -3.928 -8.258 -5.345 768 HD1 TRP 100 HD1 TRP 100 -1.729 -10.024 -2.946 769 HE1 TRP 100 HE1 TRP 100 0.412 -10.835 -4.119 770 HE3 TRP 100 HE3 TRP 100 -3.143 -9.337 -7.817 771 HZ2 TRP 100 HZ2 TRP 100 1.373 -11.160 -6.747 772 HZ3 TRP 100 HZ3 TRP 100 -1.556 -9.922 -9.597 773 HH2 TRP 100 HH2 TRP 100 0.655 -10.817 -9.081 774 H ALA 101 H ALA 101 -4.294 -6.433 -4.015 775 HA ALA 101 HA ALA 101 -1.818 -5.466 -3.087 776 HB1 ALA 101 1HB ALA 101 -2.716 -3.247 -3.567 777 HB2 ALA 101 2HB ALA 101 -4.336 -3.928 -3.703 778 HB3 ALA 101 3HB ALA 101 -3.093 -4.378 -4.867 779 H PHE 102 H PHE 102 -5.014 -5.566 -1.670 780 HA PHE 102 HA PHE 102 -4.525 -3.763 0.423 781 HB2 PHE 102 1HB PHE 102 -6.769 -4.344 -0.322 782 HB3 PHE 102 2HB PHE 102 -6.561 -5.986 0.277 783 HD1 PHE 102 HD1 PHE 102 -6.484 -2.440 1.403 784 HD2 PHE 102 HD2 PHE 102 -7.266 -6.497 2.442 785 HE1 PHE 102 HE1 PHE 102 -7.341 -1.714 3.592 786 HE2 PHE 102 HE2 PHE 102 -8.123 -5.775 4.629 787 HZ PHE 102 HZ PHE 102 -8.162 -3.381 5.208 788 H ARG 103 H ARG 103 -4.031 -7.244 0.116 789 HA ARG 103 HA ARG 103 -3.609 -7.665 2.910 790 HB2 ARG 103 1HB ARG 103 -4.280 -9.466 1.295 791 HB3 ARG 103 2HB ARG 103 -2.642 -9.414 0.659 792 HG2 ARG 103 1HG ARG 103 -1.718 -10.082 2.758 793 HG3 ARG 103 2HG ARG 103 -3.287 -9.957 3.539 794 HD2 ARG 103 1HD ARG 103 -2.598 -12.284 3.044 795 HD3 ARG 103 2HD ARG 103 -4.119 -11.829 2.292 796 HE ARG 103 HE ARG 103 -1.542 -11.933 0.848 797 HH11 ARG 103 1HH1 ARG 103 -4.985 -12.559 1.048 798 HH12 ARG 103 2HH1 ARG 103 -5.119 -13.098 -0.598 799 HH21 ARG 103 1HH2 ARG 103 -1.728 -12.684 -1.330 800 HH22 ARG 103 2HH2 ARG 103 -3.286 -13.168 -1.940 801 H GLY 104 H GLY 104 -1.566 -6.916 0.161 802 HA2 GLY 104 1HA GLY 104 0.943 -7.268 1.439 803 HA3 GLY 104 2HA GLY 104 0.631 -6.235 0.039 804 H PHE 105 H PHE 105 -1.098 -4.395 0.993 805 HA PHE 105 HA PHE 105 0.580 -2.608 2.363 806 HB2 PHE 105 1HB PHE 105 -1.031 -1.688 0.901 807 HB3 PHE 105 2HB PHE 105 -2.345 -2.555 1.681 808 HD1 PHE 105 HD1 PHE 105 -3.803 -1.073 2.695 809 HD2 PHE 105 HD2 PHE 105 0.386 -0.330 2.901 810 HE1 PHE 105 HE1 PHE 105 -4.226 0.904 4.090 811 HE2 PHE 105 HE2 PHE 105 -0.038 1.653 4.293 812 HZ PHE 105 HZ PHE 105 -2.342 2.271 4.892 813 H LYS 106 H LYS 106 -2.233 -4.472 3.402 814 HA LYS 106 HA LYS 106 -2.422 -3.412 5.989 815 HB2 LYS 106 1HB LYS 106 -4.344 -4.472 5.362 816 HB3 LYS 106 2HB LYS 106 -3.508 -5.820 4.602 817 HG2 LYS 106 1HG LYS 106 -2.971 -6.670 6.875 818 HG3 LYS 106 2HG LYS 106 -3.943 -5.352 7.543 819 HD2 LYS 106 1HD LYS 106 -5.913 -6.180 6.416 820 HD3 LYS 106 2HD LYS 106 -4.964 -7.430 5.609 821 HE2 LYS 106 1HE LYS 106 -5.358 -7.188 8.587 822 HE3 LYS 106 2HE LYS 106 -6.237 -8.295 7.536 823 HZ1 LYS 106 1HZ LYS 106 -4.120 -9.336 6.963 824 HZ2 LYS 106 2HZ LYS 106 -4.421 -9.419 8.623 825 HZ3 LYS 106 3HZ LYS 106 -3.306 -8.299 8.024 826 H CYS 107 H CYS 107 -0.691 -6.218 4.725 827 HA CYS 107 HA CYS 107 0.217 -7.282 7.138 828 HB2 CYS 107 1HB CYS 107 0.416 -8.611 5.199 829 HB3 CYS 107 2HB CYS 107 1.293 -7.369 4.319 830 H PHE 108 H PHE 108 1.610 -4.837 5.004 831 HA PHE 108 HA PHE 108 4.084 -4.719 6.410 832 HB2 PHE 108 1HB PHE 108 3.645 -4.206 3.949 833 HB3 PHE 108 2HB PHE 108 3.052 -2.639 4.501 834 HD1 PHE 108 HD1 PHE 108 5.975 -4.788 4.071 835 HD2 PHE 108 HD2 PHE 108 4.594 -0.984 5.391 836 HE1 PHE 108 HE1 PHE 108 8.283 -3.950 4.066 837 HE2 PHE 108 HE2 PHE 108 6.903 -0.142 5.382 838 HZ PHE 108 HZ PHE 108 8.749 -1.625 4.717 839 H GLN 109 H GLN 109 1.219 -2.603 6.246 840 HA GLN 109 HA GLN 109 2.303 -0.567 7.874 841 HB2 GLN 109 1HB GLN 109 0.077 0.350 7.967 842 HB3 GLN 109 2HB GLN 109 0.417 -0.199 6.335 843 HG2 GLN 109 1HG GLN 109 -1.573 -1.179 6.430 844 HG3 GLN 109 2HG GLN 109 -0.806 -2.381 7.475 845 HE21 GLN 109 1HE2 GLN 109 -3.573 -1.455 7.416 846 HE22 GLN 109 2HE2 GLN 109 -3.911 -0.854 9.000 847 H LYS 110 H LYS 110 0.683 -3.546 8.634 848 HA LYS 110 HA LYS 110 -0.164 -2.870 11.246 849 HB2 LYS 110 1HB LYS 110 -1.045 -4.761 9.891 850 HB3 LYS 110 2HB LYS 110 0.490 -5.584 10.100 851 HG2 LYS 110 1HG LYS 110 0.152 -5.782 12.443 852 HG3 LYS 110 2HG LYS 110 -1.299 -4.787 12.372 853 HD2 LYS 110 1HD LYS 110 -2.337 -6.506 10.911 854 HD3 LYS 110 2HD LYS 110 -0.907 -7.513 11.143 855 HE2 LYS 110 1HE LYS 110 -1.324 -7.578 13.542 856 HE3 LYS 110 2HE LYS 110 -2.725 -6.529 13.341 857 HZ1 LYS 110 1HZ LYS 110 -3.738 -8.260 11.958 858 HZ2 LYS 110 2HZ LYS 110 -3.428 -8.801 13.528 859 HZ3 LYS 110 3HZ LYS 110 -2.418 -9.274 12.256 860 H ASN 111 H ASN 111 2.895 -3.595 9.924 861 HA ASN 111 HA ASN 111 3.986 -4.045 12.624 862 HB2 ASN 111 1HB ASN 111 5.052 -5.073 9.987 863 HB3 ASN 111 2HB ASN 111 5.843 -5.261 11.550 864 HD21 ASN 111 1HD2 ASN 111 3.163 -6.253 9.557 865 HD22 ASN 111 2HD2 ASN 111 2.725 -7.629 10.503 866 H ASN 112 H ASN 112 4.251 -2.267 9.631 867 HA ASN 112 HA ASN 112 6.422 -0.664 10.805 868 HB2 ASN 112 1HB ASN 112 6.352 -1.908 8.056 869 HB3 ASN 112 2HB ASN 112 7.416 -0.558 8.475 870 HD21 ASN 112 1HD2 ASN 112 7.753 -3.515 7.780 871 HD22 ASN 112 2HD2 ASN 112 8.881 -4.072 8.974 872 H LEU 113 H LEU 113 4.065 0.428 11.060 873 HA LEU 113 HA LEU 113 3.143 1.754 8.690 874 HB2 LEU 113 1HB LEU 113 1.536 1.184 10.374 875 HB3 LEU 113 2HB LEU 113 2.397 2.113 11.586 876 HG LEU 113 HG LEU 113 1.849 4.178 10.301 877 HD11 LEU 113 1HD1 LEU 113 0.213 4.076 8.527 878 HD12 LEU 113 2HD1 LEU 113 0.121 2.323 8.673 879 HD13 LEU 113 3HD1 LEU 113 1.609 3.082 8.105 880 HD21 LEU 113 1HD2 LEU 113 0.469 3.493 12.181 881 HD22 LEU 113 2HD2 LEU 113 -0.480 2.449 11.125 882 HD23 LEU 113 3HD2 LEU 113 -0.535 4.200 10.913 883 H SER 114 H SER 114 5.199 2.579 11.402 884 HA SER 114 HA SER 114 5.306 5.378 10.965 885 HB2 SER 114 1HB SER 114 6.046 4.214 13.061 886 HB3 SER 114 2HB SER 114 7.448 3.609 12.183 887 HG SER 114 HG SER 114 7.973 5.493 13.323 888 H LEU 115 H LEU 115 7.005 2.652 9.572 889 HA LEU 115 HA LEU 115 8.996 4.132 8.195 890 HB2 LEU 115 1HB LEU 115 9.280 1.777 8.600 891 HB3 LEU 115 2HB LEU 115 7.819 1.395 7.711 892 HG LEU 115 HG LEU 115 8.892 2.125 5.626 893 HD11 LEU 115 1HD1 LEU 115 11.290 2.570 7.381 894 HD12 LEU 115 2HD1 LEU 115 10.375 3.810 6.526 895 HD13 LEU 115 3HD1 LEU 115 11.298 2.611 5.618 896 HD21 LEU 115 1HD2 LEU 115 9.065 -0.221 6.385 897 HD22 LEU 115 2HD2 LEU 115 10.606 0.168 7.151 898 HD23 LEU 115 3HD2 LEU 115 10.436 0.288 5.400 899 H ILE 116 H ILE 116 5.713 3.160 7.455 900 HA ILE 116 HA ILE 116 5.760 3.835 4.704 901 HB ILE 116 HB ILE 116 3.417 3.649 6.611 902 HG12 ILE 116 1HG1 ILE 116 4.576 1.648 4.654 903 HG13 ILE 116 2HG1 ILE 116 4.659 1.552 6.420 904 HG21 ILE 116 1HG2 ILE 116 3.458 3.695 3.596 905 HG22 ILE 116 2HG2 ILE 116 2.846 4.973 4.647 906 HG23 ILE 116 3HG2 ILE 116 2.039 3.404 4.603 907 HD11 ILE 116 1HD1 ILE 116 2.950 0.082 5.695 908 HD12 ILE 116 2HD1 ILE 116 2.233 1.321 4.669 909 HD13 ILE 116 3HD1 ILE 116 2.157 1.480 6.425 910 H LYS 117 H LYS 117 4.768 5.565 7.618 911 HA LYS 117 HA LYS 117 3.844 7.892 6.322 912 HB2 LYS 117 1HB LYS 117 4.794 7.366 9.125 913 HB3 LYS 117 2HB LYS 117 4.206 8.941 8.606 914 HG2 LYS 117 1HG LYS 117 2.055 7.961 8.025 915 HG3 LYS 117 2HG LYS 117 2.631 6.368 8.508 916 HD2 LYS 117 1HD LYS 117 2.875 7.092 10.793 917 HD3 LYS 117 2HD LYS 117 2.477 8.754 10.350 918 HE2 LYS 117 1HE LYS 117 0.230 8.027 9.682 919 HE3 LYS 117 2HE LYS 117 0.637 6.374 10.142 920 HZ1 LYS 117 1HZ LYS 117 0.613 8.698 11.991 921 HZ2 LYS 117 2HZ LYS 117 0.906 7.088 12.414 922 HZ3 LYS 117 3HZ LYS 117 -0.621 7.550 11.862 923 H ALA 118 H ALA 118 6.991 6.916 7.546 924 HA ALA 118 HA ALA 118 8.319 9.386 7.112 925 HB1 ALA 118 1HB ALA 118 10.358 8.097 7.365 926 HB2 ALA 118 2HB ALA 118 9.444 6.598 7.190 927 HB3 ALA 118 3HB ALA 118 9.175 7.637 8.589 928 H SER 119 H SER 119 7.652 6.601 5.118 929 HA SER 119 HA SER 119 9.410 7.013 3.020 930 HB2 SER 119 1HB SER 119 8.050 4.989 3.295 931 HB3 SER 119 2HB SER 119 6.597 5.907 2.904 932 HG SER 119 HG SER 119 8.817 5.680 1.157 933 H ILE 120 H ILE 120 6.155 8.347 3.487 934 HA ILE 120 HA ILE 120 6.319 9.804 0.981 935 HB ILE 120 HB ILE 120 4.042 10.640 1.622 936 HG12 ILE 120 1HG1 ILE 120 4.257 8.598 3.834 937 HG13 ILE 120 2HG1 ILE 120 4.416 10.335 4.088 938 HG21 ILE 120 1HG2 ILE 120 4.275 8.753 0.146 939 HG22 ILE 120 2HG2 ILE 120 2.934 8.458 1.255 940 HG23 ILE 120 3HG2 ILE 120 4.487 7.667 1.518 941 HD11 ILE 120 1HD1 ILE 120 1.989 8.927 3.008 942 HD12 ILE 120 2HD1 ILE 120 2.149 10.661 3.278 943 HD13 ILE 120 3HD1 ILE 120 2.190 9.552 4.645 944 H LYS 121 H LYS 121 7.560 10.328 3.955 945 HA LYS 121 HA LYS 121 6.831 13.092 4.266 946 HB2 LYS 121 1HB LYS 121 7.304 11.679 6.221 947 HB3 LYS 121 2HB LYS 121 8.967 11.484 5.675 948 HG2 LYS 121 1HG LYS 121 9.333 13.884 5.907 949 HG3 LYS 121 2HG LYS 121 7.660 14.091 6.419 950 HD2 LYS 121 1HD LYS 121 8.114 12.625 8.359 951 HD3 LYS 121 2HD LYS 121 9.808 12.547 7.862 952 HE2 LYS 121 1HE LYS 121 9.485 14.226 9.607 953 HE3 LYS 121 2HE LYS 121 9.992 14.972 8.093 954 HZ1 LYS 121 1HZ LYS 121 8.216 16.238 9.089 955 HZ2 LYS 121 2HZ LYS 121 7.220 14.875 9.152 956 HZ3 LYS 121 3HZ LYS 121 7.660 15.529 7.658 957 H LYS 122 H LYS 122 7.698 14.702 3.219 958 HA LYS 122 HA LYS 122 10.545 14.858 2.764 959 HB2 LYS 122 1HB LYS 122 8.990 13.865 0.670 960 HB3 LYS 122 2HB LYS 122 9.180 15.564 0.305 961 HG2 LYS 122 1HG LYS 122 11.613 15.341 0.503 962 HG3 LYS 122 2HG LYS 122 11.412 13.612 0.791 963 HD2 LYS 122 1HD LYS 122 10.497 13.282 -1.388 964 HD3 LYS 122 2HD LYS 122 10.400 15.020 -1.672 965 HE2 LYS 122 1HE LYS 122 12.928 13.413 -1.325 966 HE3 LYS 122 2HE LYS 122 12.301 14.037 -2.849 967 HZ1 LYS 122 1HZ LYS 122 13.220 15.655 -0.535 968 HZ2 LYS 122 2HZ LYS 122 12.542 16.290 -1.947 969 HZ3 LYS 122 3HZ LYS 122 14.020 15.477 -2.013 970 H ASP 123 H ASP 123 11.136 16.827 3.228 971 HA ASP 123 HA ASP 123 9.503 19.084 2.428 972 HB2 ASP 123 1HB ASP 123 8.702 18.435 4.702 973 HB3 ASP 123 2HB ASP 123 10.328 18.714 5.310 974 H21 ACD 201 H21 ACD 1 -4.110 4.525 2.277 975 H22 ACD 201 H22 ACD 1 -2.755 5.088 3.265 976 H31 ACD 201 H31 ACD 1 -1.887 6.405 1.401 977 H32 ACD 201 H32 ACD 1 -3.295 6.035 0.415 978 H41 ACD 201 H41 ACD 1 -2.678 3.680 0.304 979 H42 ACD 201 H42 ACD 1 -1.262 4.641 -0.134 980 H5 ACD 201 H5 ACD 1 -1.603 2.977 2.397 981 H6 ACD 201 H6 ACD 1 0.658 3.631 2.789 982 H71 ACD 201 H71 ACD 1 0.936 4.864 0.199 983 H72 ACD 201 H72 ACD 1 0.000 6.042 1.118 984 H8 ACD 201 H8 ACD 1 1.908 6.407 2.682 985 H9 ACD 201 H9 ACD 1 4.034 5.598 1.964 986 H101 ACD 201 H101 ACD 1 2.987 4.822 -0.611 987 H102 ACD 201 H102 ACD 1 2.504 3.497 0.454 988 H11 ACD 201 H11 ACD 1 5.474 4.377 0.348 989 H12 ACD 201 H12 ACD 1 5.792 2.040 0.062 990 H131 ACD 201 H131 ACD 1 2.824 2.060 -0.642 991 H132 ACD 201 H132 ACD 1 3.915 0.674 -0.705 992 H14 ACD 201 H14 ACD 1 2.777 1.793 1.959 993 H15 ACD 201 H15 ACD 1 2.644 -0.537 2.446 994 H161 ACD 201 H161 ACD 1 2.870 -1.254 -0.358 995 H162 ACD 201 H162 ACD 1 4.527 -0.908 0.147 996 H171 ACD 201 H171 ACD 1 4.461 -2.594 1.864 997 H172 ACD 201 H172 ACD 1 2.716 -2.790 1.696 998 H181 ACD 201 H181 ACD 1 4.751 -3.454 -0.469 999 H182 ACD 201 H182 ACD 1 3.006 -3.699 -0.581 1000 H191 ACD 201 H191 ACD 1 4.899 -5.038 1.400 1001 H192 ACD 201 H192 ACD 1 3.141 -5.216 1.436 1002 H201 ACD 201 H201 ACD 1 4.931 -5.990 -0.879 1003 H202 ACD 201 H202 ACD 1 3.211 -6.169 -0.836 1004 H203 ACD 201 H203 ACD 1 4.201 -7.085 0.245 Start of MODEL 23 1 H1 MET 1 1H MET 1 17.325 13.839 -13.591 2 H2 MET 1 2H MET 1 18.581 13.030 -12.804 3 H3 MET 1 3H MET 1 18.860 13.775 -14.294 4 HA MET 1 HA MET 1 19.785 15.091 -12.533 5 HB2 MET 1 1HB MET 1 17.350 16.231 -13.899 6 HB3 MET 1 2HB MET 1 18.435 17.216 -12.928 7 HG2 MET 1 1HG MET 1 20.291 16.616 -14.407 8 HG3 MET 1 2HG MET 1 19.191 15.651 -15.387 9 HE1 MET 1 1HE MET 1 20.084 18.840 -17.569 10 HE2 MET 1 2HE MET 1 20.210 17.084 -17.456 11 HE3 MET 1 3HE MET 1 21.141 18.106 -16.363 12 H GLU 2 H GLU 2 16.322 14.476 -12.093 13 HA GLU 2 HA GLU 2 16.679 14.525 -9.237 14 HB2 GLU 2 1HB GLU 2 14.934 16.216 -8.816 15 HB3 GLU 2 2HB GLU 2 16.334 16.908 -9.624 16 HG2 GLU 2 1HG GLU 2 15.181 16.954 -11.715 17 HG3 GLU 2 2HG GLU 2 13.806 16.090 -11.030 18 H PHE 3 H PHE 3 15.407 13.070 -8.334 19 HA PHE 3 HA PHE 3 13.113 12.088 -9.880 20 HB2 PHE 3 1HB PHE 3 14.817 10.394 -9.446 21 HB3 PHE 3 2HB PHE 3 14.707 10.702 -7.710 22 HD1 PHE 3 HD1 PHE 3 12.912 9.379 -10.642 23 HD2 PHE 3 HD2 PHE 3 13.009 9.709 -6.405 24 HE1 PHE 3 HE1 PHE 3 11.131 7.685 -10.474 25 HE2 PHE 3 HE2 PHE 3 11.231 8.016 -6.224 26 HZ PHE 3 HZ PHE 3 10.290 7.001 -8.262 27 H THR 4 H THR 4 11.167 12.514 -9.143 28 HA THR 4 HA THR 4 10.916 13.540 -6.427 29 HB THR 4 HB THR 4 9.458 14.058 -8.949 30 HG1 THR 4 HG1 THR 4 10.258 15.914 -8.453 31 HG21 THR 4 1HG2 THR 4 7.604 13.202 -7.643 32 HG22 THR 4 2HG2 THR 4 7.494 14.959 -7.727 33 HG23 THR 4 3HG2 THR 4 8.089 14.181 -6.259 34 H VAL 5 H VAL 5 9.751 12.551 -4.918 35 HA VAL 5 HA VAL 5 8.439 10.004 -5.620 36 HB VAL 5 HB VAL 5 8.945 9.170 -3.547 37 HG11 VAL 5 1HG1 VAL 5 11.034 9.574 -4.586 38 HG12 VAL 5 2HG1 VAL 5 11.197 9.852 -2.853 39 HG13 VAL 5 3HG1 VAL 5 11.086 11.221 -3.960 40 HG21 VAL 5 1HG2 VAL 5 9.176 11.943 -2.381 41 HG22 VAL 5 2HG2 VAL 5 9.231 10.417 -1.496 42 HG23 VAL 5 3HG2 VAL 5 7.739 10.927 -2.285 43 H SER 6 H SER 6 6.383 9.560 -4.869 44 HA SER 6 HA SER 6 4.606 11.763 -4.784 45 HB2 SER 6 1HB SER 6 2.931 9.909 -4.201 46 HB3 SER 6 2HB SER 6 3.781 9.764 -5.741 47 HG SER 6 HG SER 6 4.508 8.474 -3.317 48 H THR 7 H THR 7 5.067 13.085 -3.052 49 HA THR 7 HA THR 7 5.389 12.075 -0.387 50 HB THR 7 HB THR 7 5.398 14.431 0.304 51 HG1 THR 7 HG1 THR 7 4.669 14.881 -2.424 52 HG21 THR 7 1HG2 THR 7 7.037 13.955 -2.186 53 HG22 THR 7 2HG2 THR 7 7.467 13.441 -0.555 54 HG23 THR 7 3HG2 THR 7 7.368 15.158 -0.940 55 H THR 8 H THR 8 3.993 13.613 1.259 56 HA THR 8 HA THR 8 1.542 12.441 1.582 57 HB THR 8 HB THR 8 2.297 15.228 2.461 58 HG1 THR 8 HG1 THR 8 3.363 12.846 3.084 59 HG21 THR 8 1HG2 THR 8 0.760 14.741 4.341 60 HG22 THR 8 2HG2 THR 8 0.296 13.245 3.528 61 HG23 THR 8 3HG2 THR 8 -0.050 14.802 2.775 62 H GLU 9 H GLU 9 2.092 15.707 0.229 63 HA GLU 9 HA GLU 9 -0.576 16.262 -0.351 64 HB2 GLU 9 1HB GLU 9 1.932 17.288 -1.676 65 HB3 GLU 9 2HB GLU 9 0.327 17.947 -1.951 66 HG2 GLU 9 1HG GLU 9 0.152 18.587 0.365 67 HG3 GLU 9 2HG GLU 9 1.712 17.846 0.711 68 H ASP 10 H ASP 10 1.944 14.797 -2.373 69 HA ASP 10 HA ASP 10 0.418 14.594 -4.730 70 HB2 ASP 10 1HB ASP 10 2.616 12.715 -3.829 71 HB3 ASP 10 2HB ASP 10 2.013 12.925 -5.471 72 H LEU 11 H LEU 11 0.860 12.431 -1.985 73 HA LEU 11 HA LEU 11 -0.645 10.287 -2.941 74 HB2 LEU 11 1HB LEU 11 0.766 9.959 -1.058 75 HB3 LEU 11 2HB LEU 11 -0.071 11.202 -0.122 76 HG LEU 11 HG LEU 11 -2.094 9.757 -0.148 77 HD11 LEU 11 1HD1 LEU 11 -1.530 8.501 -2.184 78 HD12 LEU 11 2HD1 LEU 11 -1.924 7.454 -0.822 79 HD13 LEU 11 3HD1 LEU 11 -0.241 7.687 -1.297 80 HD21 LEU 11 1HD2 LEU 11 0.342 8.393 0.984 81 HD22 LEU 11 2HD2 LEU 11 -1.321 8.247 1.555 82 HD23 LEU 11 3HD2 LEU 11 -0.462 9.777 1.723 83 H GLN 12 H GLN 12 -1.598 13.089 -0.987 84 HA GLN 12 HA GLN 12 -4.271 12.343 -0.557 85 HB2 GLN 12 1HB GLN 12 -2.972 15.065 -0.703 86 HB3 GLN 12 2HB GLN 12 -4.640 14.816 -0.215 87 HG2 GLN 12 1HG GLN 12 -3.927 13.543 1.707 88 HG3 GLN 12 2HG GLN 12 -2.249 13.638 1.183 89 HE21 GLN 12 1HE2 GLN 12 -4.907 15.351 2.611 90 HE22 GLN 12 2HE2 GLN 12 -3.999 16.725 3.143 91 H ARG 13 H ARG 13 -2.672 13.933 -3.197 92 HA ARG 13 HA ARG 13 -4.960 14.869 -4.561 93 HB2 ARG 13 1HB ARG 13 -2.650 15.696 -4.899 94 HB3 ARG 13 2HB ARG 13 -2.237 14.169 -5.664 95 HG2 ARG 13 1HG ARG 13 -3.732 14.607 -7.483 96 HG3 ARG 13 2HG ARG 13 -4.348 16.062 -6.673 97 HD2 ARG 13 1HD ARG 13 -2.751 16.664 -8.391 98 HD3 ARG 13 2HD ARG 13 -2.118 17.058 -6.796 99 HE ARG 13 HE ARG 13 -1.261 14.762 -8.437 100 HH11 ARG 13 1HH1 ARG 13 -0.643 17.110 -5.905 101 HH12 ARG 13 2HH1 ARG 13 1.036 16.703 -5.763 102 HH21 ARG 13 1HH2 ARG 13 0.969 14.230 -8.240 103 HH22 ARG 13 2HH2 ARG 13 1.949 15.057 -7.064 104 H TYR 14 H TYR 14 -3.084 11.862 -4.749 105 HA TYR 14 HA TYR 14 -4.497 10.809 -6.990 106 HB2 TYR 14 1HB TYR 14 -2.914 9.332 -4.877 107 HB3 TYR 14 2HB TYR 14 -3.447 8.676 -6.416 108 HD1 TYR 14 HD1 TYR 14 -2.824 10.908 -8.253 109 HD2 TYR 14 HD2 TYR 14 -0.575 9.283 -5.023 110 HE1 TYR 14 HE1 TYR 14 -0.748 11.672 -9.321 111 HE2 TYR 14 HE2 TYR 14 1.506 10.056 -6.083 112 HH TYR 14 HH TYR 14 2.318 10.628 -8.348 113 H ARG 15 H ARG 15 -4.929 10.587 -3.510 114 HA ARG 15 HA ARG 15 -6.815 8.490 -3.534 115 HB2 ARG 15 1HB ARG 15 -6.796 10.662 -1.451 116 HB3 ARG 15 2HB ARG 15 -7.240 8.976 -1.278 117 HG2 ARG 15 1HG ARG 15 -4.849 8.390 -1.776 118 HG3 ARG 15 2HG ARG 15 -4.487 10.108 -1.614 119 HD2 ARG 15 1HD ARG 15 -5.751 8.380 0.509 120 HD3 ARG 15 2HD ARG 15 -4.058 8.859 0.464 121 HE ARG 15 HE ARG 15 -5.651 11.168 0.413 122 HH11 ARG 15 1HH1 ARG 15 -4.914 8.492 2.546 123 HH12 ARG 15 2HH1 ARG 15 -5.017 9.454 3.989 124 HH21 ARG 15 1HH2 ARG 15 -5.826 12.428 2.321 125 HH22 ARG 15 2HH2 ARG 15 -5.530 11.691 3.862 126 H THR 16 H THR 16 -7.062 11.903 -4.088 127 HA THR 16 HA THR 16 -9.819 12.231 -3.827 128 HB THR 16 HB THR 16 -7.732 13.615 -5.491 129 HG1 THR 16 HG1 THR 16 -7.585 14.815 -3.768 130 HG21 THR 16 1HG2 THR 16 -9.388 15.350 -6.020 131 HG22 THR 16 2HG2 THR 16 -10.651 14.359 -5.288 132 HG23 THR 16 3HG2 THR 16 -9.816 13.795 -6.738 133 H GLU 17 H GLU 17 -7.849 11.405 -6.671 134 HA GLU 17 HA GLU 17 -10.055 11.275 -8.446 135 HB2 GLU 17 1HB GLU 17 -7.554 9.734 -9.017 136 HB3 GLU 17 2HB GLU 17 -8.543 10.693 -10.098 137 HG2 GLU 17 1HG GLU 17 -7.732 12.735 -8.903 138 HG3 GLU 17 2HG GLU 17 -6.574 11.701 -8.065 139 H CYS 18 H CYS 18 -8.322 8.817 -6.563 140 HA CYS 18 HA CYS 18 -9.696 6.606 -7.684 141 HB2 CYS 18 1HB CYS 18 -8.225 6.901 -5.061 142 HB3 CYS 18 2HB CYS 18 -8.930 5.382 -5.631 143 H VAL 19 H VAL 19 -10.410 8.765 -5.027 144 HA VAL 19 HA VAL 19 -12.485 7.242 -3.890 145 HB VAL 19 HB VAL 19 -11.675 10.110 -3.703 146 HG11 VAL 19 1HG1 VAL 19 -14.206 8.988 -2.511 147 HG12 VAL 19 2HG1 VAL 19 -14.111 10.193 -3.800 148 HG13 VAL 19 3HG1 VAL 19 -13.518 10.579 -2.181 149 HG21 VAL 19 1HG2 VAL 19 -10.504 8.480 -2.358 150 HG22 VAL 19 2HG2 VAL 19 -12.029 7.880 -1.707 151 HG23 VAL 19 3HG2 VAL 19 -11.486 9.514 -1.321 152 H SER 20 H SER 20 -12.527 9.972 -6.130 153 HA SER 20 HA SER 20 -15.325 10.024 -6.455 154 HB2 SER 20 1HB SER 20 -13.663 11.867 -6.942 155 HB3 SER 20 2HB SER 20 -13.266 11.014 -8.432 156 HG SER 20 HG SER 20 -15.342 11.341 -9.164 157 H SER 21 H SER 21 -12.824 8.126 -8.021 158 HA SER 21 HA SER 21 -14.500 7.418 -10.267 159 HB2 SER 21 1HB SER 21 -11.804 6.356 -9.403 160 HB3 SER 21 2HB SER 21 -12.589 6.031 -10.951 161 HG SER 21 HG SER 21 -11.338 8.345 -10.017 162 H LEU 22 H LEU 22 -13.212 5.760 -7.370 163 HA LEU 22 HA LEU 22 -14.625 3.336 -8.069 164 HB2 LEU 22 1HB LEU 22 -12.892 4.108 -5.729 165 HB3 LEU 22 2HB LEU 22 -13.700 2.543 -5.841 166 HG LEU 22 HG LEU 22 -11.764 3.557 -7.917 167 HD11 LEU 22 1HD1 LEU 22 -10.143 2.022 -6.871 168 HD12 LEU 22 2HD1 LEU 22 -11.287 1.739 -5.558 169 HD13 LEU 22 3HD1 LEU 22 -10.599 3.345 -5.798 170 HD21 LEU 22 1HD2 LEU 22 -13.371 1.843 -8.634 171 HD22 LEU 22 2HD2 LEU 22 -12.824 0.801 -7.317 172 HD23 LEU 22 3HD2 LEU 22 -11.713 1.243 -8.616 173 H ASN 23 H ASN 23 -15.846 6.050 -7.109 174 HA ASN 23 HA ASN 23 -17.646 6.783 -5.925 175 HB2 ASN 23 1HB ASN 23 -18.420 3.876 -6.169 176 HB3 ASN 23 2HB ASN 23 -19.491 5.146 -5.616 177 HD21 ASN 23 1HD2 ASN 23 -20.946 4.909 -7.254 178 HD22 ASN 23 2HD2 ASN 23 -20.599 5.347 -8.896 179 H ILE 24 H ILE 24 -15.379 6.186 -4.368 180 HA ILE 24 HA ILE 24 -16.050 4.756 -2.008 181 HB ILE 24 HB ILE 24 -13.988 6.942 -2.270 182 HG12 ILE 24 1HG1 ILE 24 -13.680 5.278 -4.077 183 HG13 ILE 24 2HG1 ILE 24 -12.370 5.216 -2.902 184 HG21 ILE 24 1HG2 ILE 24 -14.179 4.555 -0.438 185 HG22 ILE 24 2HG2 ILE 24 -14.435 6.242 0.009 186 HG23 ILE 24 3HG2 ILE 24 -12.834 5.696 -0.493 187 HD11 ILE 24 1HD1 ILE 24 -13.381 3.238 -1.888 188 HD12 ILE 24 2HD1 ILE 24 -13.048 2.994 -3.604 189 HD13 ILE 24 3HD1 ILE 24 -14.697 3.313 -3.061 190 HA PRO 25 HA PRO 25 -18.745 7.902 -0.265 191 HB2 PRO 25 1HB PRO 25 -18.367 6.386 2.218 192 HB3 PRO 25 2HB PRO 25 -19.849 6.733 1.325 193 HG2 PRO 25 1HG PRO 25 -18.752 4.279 1.414 194 HG3 PRO 25 2HG PRO 25 -19.656 4.882 0.015 195 HD2 PRO 25 1HD PRO 25 -16.707 4.588 0.386 196 HD3 PRO 25 2HD PRO 25 -17.696 4.367 -1.078 197 H ALA 26 H ALA 26 -18.431 9.707 0.879 198 HA ALA 26 HA ALA 26 -15.912 10.661 1.559 199 HB1 ALA 26 1HB ALA 26 -18.564 11.522 2.707 200 HB2 ALA 26 2HB ALA 26 -17.884 12.073 1.177 201 HB3 ALA 26 3HB ALA 26 -17.076 12.469 2.694 202 H ASP 27 H ASP 27 -18.304 8.994 3.498 203 HA ASP 27 HA ASP 27 -17.326 9.150 6.049 204 HB2 ASP 27 1HB ASP 27 -19.328 7.954 5.633 205 HB3 ASP 27 2HB ASP 27 -18.525 6.824 4.553 206 H TYR 28 H TYR 28 -16.345 6.692 3.643 207 HA TYR 28 HA TYR 28 -14.293 5.564 5.149 208 HB2 TYR 28 1HB TYR 28 -14.958 5.638 2.245 209 HB3 TYR 28 2HB TYR 28 -13.394 4.990 2.738 210 HD1 TYR 28 HD1 TYR 28 -13.228 2.775 3.506 211 HD2 TYR 28 HD2 TYR 28 -17.050 4.626 3.300 212 HE1 TYR 28 HE1 TYR 28 -14.291 0.624 4.020 213 HE2 TYR 28 HE2 TYR 28 -18.127 2.471 3.805 214 HH TYR 28 HH TYR 28 -16.176 -0.420 4.523 215 H VAL 29 H VAL 29 -14.295 8.324 2.979 216 HA VAL 29 HA VAL 29 -11.543 8.678 2.682 217 HB VAL 29 HB VAL 29 -13.686 10.791 2.713 218 HG11 VAL 29 1HG1 VAL 29 -12.100 12.043 1.284 219 HG12 VAL 29 2HG1 VAL 29 -10.890 10.797 1.600 220 HG13 VAL 29 3HG1 VAL 29 -11.503 11.787 2.924 221 HG21 VAL 29 1HG2 VAL 29 -14.218 9.088 1.117 222 HG22 VAL 29 2HG2 VAL 29 -12.567 9.092 0.501 223 HG23 VAL 29 3HG2 VAL 29 -13.605 10.497 0.248 224 H GLU 30 H GLU 30 -13.770 9.960 5.147 225 HA GLU 30 HA GLU 30 -11.832 11.523 6.513 226 HB2 GLU 30 1HB GLU 30 -14.185 10.285 7.903 227 HB3 GLU 30 2HB GLU 30 -13.425 11.851 8.166 228 HG2 GLU 30 1HG GLU 30 -14.230 12.511 5.896 229 HG3 GLU 30 2HG GLU 30 -15.191 11.036 5.891 230 H LYS 31 H LYS 31 -12.749 8.164 6.679 231 HA LYS 31 HA LYS 31 -11.412 7.491 9.072 232 HB2 LYS 31 1HB LYS 31 -11.979 5.752 6.666 233 HB3 LYS 31 2HB LYS 31 -11.463 5.176 8.244 234 HG2 LYS 31 1HG LYS 31 -13.520 6.181 9.213 235 HG3 LYS 31 2HG LYS 31 -14.048 6.546 7.570 236 HD2 LYS 31 1HD LYS 31 -13.839 4.116 7.038 237 HD3 LYS 31 2HD LYS 31 -13.498 3.827 8.757 238 HE2 LYS 31 1HE LYS 31 -15.999 5.152 7.702 239 HE3 LYS 31 2HE LYS 31 -15.882 3.450 8.148 240 HZ1 LYS 31 1HZ LYS 31 -16.821 4.759 9.933 241 HZ2 LYS 31 2HZ LYS 31 -15.461 5.760 9.967 242 HZ3 LYS 31 3HZ LYS 31 -15.323 4.132 10.406 243 H PHE 32 H PHE 32 -10.393 7.310 5.672 244 HA PHE 32 HA PHE 32 -7.867 6.220 6.075 245 HB2 PHE 32 1HB PHE 32 -8.652 8.163 3.902 246 HB3 PHE 32 2HB PHE 32 -7.304 7.031 3.858 247 HD1 PHE 32 HD1 PHE 32 -9.918 7.433 2.058 248 HD2 PHE 32 HD2 PHE 32 -8.679 4.632 5.012 249 HE1 PHE 32 HE1 PHE 32 -11.383 5.728 1.056 250 HE2 PHE 32 HE2 PHE 32 -10.138 2.926 4.013 251 HZ PHE 32 HZ PHE 32 -11.490 3.467 2.028 252 H LYS 33 H LYS 33 -8.962 9.533 6.316 253 HA LYS 33 HA LYS 33 -6.497 10.853 6.479 254 HB2 LYS 33 1HB LYS 33 -8.905 11.821 6.436 255 HB3 LYS 33 2HB LYS 33 -8.863 11.593 8.182 256 HG2 LYS 33 1HG LYS 33 -6.921 13.031 8.359 257 HG3 LYS 33 2HG LYS 33 -6.908 13.247 6.601 258 HD2 LYS 33 1HD LYS 33 -9.167 14.246 6.750 259 HD3 LYS 33 2HD LYS 33 -9.097 14.094 8.506 260 HE2 LYS 33 1HE LYS 33 -7.177 15.695 6.818 261 HE3 LYS 33 2HE LYS 33 -8.536 16.364 7.717 262 HZ1 LYS 33 1HZ LYS 33 -7.516 15.572 9.764 263 HZ2 LYS 33 2HZ LYS 33 -6.482 16.618 8.934 264 HZ3 LYS 33 3HZ LYS 33 -6.204 14.953 8.895 265 H LYS 34 H LYS 34 -8.342 9.049 8.865 266 HA LYS 34 HA LYS 34 -6.396 9.616 10.963 267 HB2 LYS 34 1HB LYS 34 -8.985 8.059 10.956 268 HB3 LYS 34 2HB LYS 34 -7.951 8.219 12.368 269 HG2 LYS 34 1HG LYS 34 -8.364 10.553 12.500 270 HG3 LYS 34 2HG LYS 34 -9.135 10.568 10.911 271 HD2 LYS 34 1HD LYS 34 -10.819 10.647 12.663 272 HD3 LYS 34 2HD LYS 34 -10.924 9.123 11.781 273 HE2 LYS 34 1HE LYS 34 -9.370 8.229 13.657 274 HE3 LYS 34 2HE LYS 34 -9.920 9.645 14.550 275 HZ1 LYS 34 1HZ LYS 34 -11.301 7.776 15.067 276 HZ2 LYS 34 2HZ LYS 34 -11.613 7.479 13.431 277 HZ3 LYS 34 3HZ LYS 34 -12.215 8.882 14.170 278 H TRP 35 H TRP 35 -5.906 7.894 8.512 279 HA TRP 35 HA TRP 35 -5.115 5.879 7.859 280 HB2 TRP 35 1HB TRP 35 -3.906 6.127 10.613 281 HB3 TRP 35 2HB TRP 35 -3.425 4.885 9.448 282 HD1 TRP 35 HD1 TRP 35 -3.282 8.681 10.014 283 HE1 TRP 35 HE1 TRP 35 -1.441 9.678 8.508 284 HE3 TRP 35 HE3 TRP 35 -2.094 4.505 7.302 285 HZ2 TRP 35 HZ2 TRP 35 0.272 8.810 6.449 286 HZ3 TRP 35 HZ3 TRP 35 -0.351 4.680 5.581 287 HH2 TRP 35 HH2 TRP 35 0.812 6.778 5.160 288 H GLU 36 H GLU 36 -7.719 5.662 8.706 289 HA GLU 36 HA GLU 36 -7.821 3.055 10.051 290 HB2 GLU 36 1HB GLU 36 -9.968 5.112 9.546 291 HB3 GLU 36 2HB GLU 36 -10.302 3.498 10.141 292 HG2 GLU 36 1HG GLU 36 -8.873 3.999 12.106 293 HG3 GLU 36 2HG GLU 36 -8.720 5.647 11.507 294 H PHE 37 H PHE 37 -7.777 1.411 8.675 295 HA PHE 37 HA PHE 37 -9.187 1.716 6.105 296 HB2 PHE 37 1HB PHE 37 -6.842 -0.098 6.728 297 HB3 PHE 37 2HB PHE 37 -7.610 0.094 5.156 298 HD1 PHE 37 HD1 PHE 37 -5.525 1.735 7.701 299 HD2 PHE 37 HD2 PHE 37 -7.101 1.962 3.752 300 HE1 PHE 37 HE1 PHE 37 -3.996 3.595 7.199 301 HE2 PHE 37 HE2 PHE 37 -5.582 3.825 3.252 302 HZ PHE 37 HZ PHE 37 -4.025 4.644 4.972 303 HA PRO 38 HA PRO 38 -11.786 -1.380 8.325 304 HB2 PRO 38 1HB PRO 38 -13.489 -0.597 6.019 305 HB3 PRO 38 2HB PRO 38 -13.905 -0.776 7.735 306 HG2 PRO 38 1HG PRO 38 -13.664 1.641 6.685 307 HG3 PRO 38 2HG PRO 38 -13.014 1.293 8.298 308 HD2 PRO 38 1HD PRO 38 -11.547 1.507 5.682 309 HD3 PRO 38 2HD PRO 38 -11.094 2.137 7.298 310 H GLU 39 H GLU 39 -12.218 -3.460 7.837 311 HA GLU 39 HA GLU 39 -10.877 -4.548 5.528 312 HB2 GLU 39 1HB GLU 39 -10.632 -5.577 7.751 313 HB3 GLU 39 2HB GLU 39 -12.348 -5.956 7.757 314 HG2 GLU 39 1HG GLU 39 -11.999 -7.352 5.743 315 HG3 GLU 39 2HG GLU 39 -10.270 -7.039 5.872 316 H ASP 40 H ASP 40 -12.299 -3.653 3.947 317 HA ASP 40 HA ASP 40 -14.290 -5.580 3.175 318 HB2 ASP 40 1HB ASP 40 -16.127 -4.020 2.865 319 HB3 ASP 40 2HB ASP 40 -15.635 -4.024 4.551 320 H ASP 41 H ASP 41 -15.172 -5.025 0.989 321 HA ASP 41 HA ASP 41 -12.882 -5.022 -0.645 322 HB2 ASP 41 1HB ASP 41 -14.406 -5.344 -2.526 323 HB3 ASP 41 2HB ASP 41 -14.841 -6.384 -1.177 324 H THR 42 H THR 42 -15.021 -2.457 0.254 325 HA THR 42 HA THR 42 -14.604 -0.703 -1.915 326 HB THR 42 HB THR 42 -15.109 -0.023 0.984 327 HG1 THR 42 HG1 THR 42 -16.998 -0.859 0.586 328 HG21 THR 42 1HG2 THR 42 -14.355 1.911 -0.252 329 HG22 THR 42 2HG2 THR 42 -16.085 2.049 0.057 330 HG23 THR 42 3HG2 THR 42 -15.508 1.572 -1.541 331 H THR 43 H THR 43 -13.077 -0.646 1.311 332 HA THR 43 HA THR 43 -11.067 1.194 0.775 333 HB THR 43 HB THR 43 -10.908 -1.173 2.649 334 HG1 THR 43 HG1 THR 43 -11.793 0.320 4.178 335 HG21 THR 43 1HG2 THR 43 -9.438 0.368 3.965 336 HG22 THR 43 2HG2 THR 43 -9.457 1.474 2.590 337 HG23 THR 43 3HG2 THR 43 -8.753 -0.133 2.418 338 H MET 44 H MET 44 -11.249 -2.235 0.115 339 HA MET 44 HA MET 44 -8.487 -2.681 -0.240 340 HB2 MET 44 1HB MET 44 -10.836 -4.233 -1.308 341 HB3 MET 44 2HB MET 44 -9.175 -4.808 -1.282 342 HG2 MET 44 1HG MET 44 -9.180 -4.687 1.160 343 HG3 MET 44 2HG MET 44 -10.841 -4.108 1.123 344 HE1 MET 44 1HE MET 44 -9.935 -6.567 2.878 345 HE2 MET 44 2HE MET 44 -11.279 -7.671 2.578 346 HE3 MET 44 3HE MET 44 -11.584 -5.946 2.788 347 H CYS 45 H CYS 45 -11.086 -2.281 -2.674 348 HA CYS 45 HA CYS 45 -9.321 -2.335 -4.889 349 HB2 CYS 45 1HB CYS 45 -12.072 -1.087 -4.673 350 HB3 CYS 45 2HB CYS 45 -11.212 -1.393 -6.174 351 H TYR 46 H TYR 46 -10.384 0.164 -2.728 352 HA TYR 46 HA TYR 46 -9.536 2.431 -4.118 353 HB2 TYR 46 1HB TYR 46 -10.872 2.817 -2.246 354 HB3 TYR 46 2HB TYR 46 -9.922 1.744 -1.225 355 HD1 TYR 46 HD1 TYR 46 -9.665 4.998 -3.054 356 HD2 TYR 46 HD2 TYR 46 -8.412 2.642 0.264 357 HE1 TYR 46 HE1 TYR 46 -8.471 6.940 -2.127 358 HE2 TYR 46 HE2 TYR 46 -7.211 4.572 1.192 359 HH TYR 46 HH TYR 46 -6.392 6.659 0.689 360 H ILE 47 H ILE 47 -7.820 0.274 -1.905 361 HA ILE 47 HA ILE 47 -5.439 1.719 -1.761 362 HB ILE 47 HB ILE 47 -5.973 -1.215 -1.375 363 HG12 ILE 47 1HG1 ILE 47 -7.019 0.253 0.273 364 HG13 ILE 47 2HG1 ILE 47 -5.702 -0.644 1.022 365 HG21 ILE 47 1HG2 ILE 47 -3.745 -1.322 -0.272 366 HG22 ILE 47 2HG2 ILE 47 -3.411 0.299 -0.886 367 HG23 ILE 47 3HG2 ILE 47 -3.658 -1.035 -2.011 368 HD11 ILE 47 1HD1 ILE 47 -5.602 1.575 1.834 369 HD12 ILE 47 2HD1 ILE 47 -5.737 2.252 0.213 370 HD13 ILE 47 3HD1 ILE 47 -4.268 1.399 0.691 371 H LYS 48 H LYS 48 -6.440 -0.803 -4.105 372 HA LYS 48 HA LYS 48 -3.833 -0.912 -5.210 373 HB2 LYS 48 1HB LYS 48 -5.259 -1.790 -7.303 374 HB3 LYS 48 2HB LYS 48 -4.740 -2.805 -5.984 375 HG2 LYS 48 1HG LYS 48 -6.924 -2.629 -4.967 376 HG3 LYS 48 2HG LYS 48 -7.434 -1.474 -6.203 377 HD2 LYS 48 1HD LYS 48 -6.591 -4.330 -6.721 378 HD3 LYS 48 2HD LYS 48 -8.257 -3.752 -6.676 379 HE2 LYS 48 1HE LYS 48 -7.824 -2.294 -8.575 380 HE3 LYS 48 2HE LYS 48 -6.133 -2.780 -8.593 381 HZ1 LYS 48 1HZ LYS 48 -6.665 -4.899 -9.363 382 HZ2 LYS 48 2HZ LYS 48 -7.701 -3.883 -10.237 383 HZ3 LYS 48 3HZ LYS 48 -8.297 -4.761 -8.924 384 H CYS 49 H CYS 49 -6.775 0.876 -6.097 385 HA CYS 49 HA CYS 49 -5.875 2.013 -8.460 386 HB2 CYS 49 1HB CYS 49 -8.143 2.309 -7.853 387 HB3 CYS 49 2HB CYS 49 -7.727 3.130 -6.351 388 H VAL 50 H VAL 50 -5.466 3.190 -5.130 389 HA VAL 50 HA VAL 50 -4.030 5.507 -5.751 390 HB VAL 50 HB VAL 50 -4.117 3.820 -3.255 391 HG11 VAL 50 1HG1 VAL 50 -3.116 5.726 -2.086 392 HG12 VAL 50 2HG1 VAL 50 -2.882 6.547 -3.630 393 HG13 VAL 50 3HG1 VAL 50 -2.011 5.051 -3.285 394 HG21 VAL 50 1HG2 VAL 50 -5.429 6.402 -4.055 395 HG22 VAL 50 2HG2 VAL 50 -5.497 5.704 -2.437 396 HG23 VAL 50 3HG2 VAL 50 -6.212 4.843 -3.801 397 H PHE 51 H PHE 51 -3.010 2.235 -4.949 398 HA PHE 51 HA PHE 51 -0.243 2.748 -4.952 399 HB2 PHE 51 1HB PHE 51 -1.988 0.350 -4.915 400 HB3 PHE 51 2HB PHE 51 -0.312 0.112 -5.392 401 HD1 PHE 51 HD1 PHE 51 -1.419 2.638 -2.948 402 HD2 PHE 51 HD2 PHE 51 0.315 -1.207 -3.516 403 HE1 PHE 51 HE1 PHE 51 -0.797 2.568 -0.569 404 HE2 PHE 51 HE2 PHE 51 0.937 -1.281 -1.140 405 HZ PHE 51 HZ PHE 51 0.384 0.608 0.338 406 H ASN 52 H ASN 52 -2.523 2.232 -7.455 407 HA ASN 52 HA ASN 52 -0.632 1.523 -9.516 408 HB2 ASN 52 1HB ASN 52 -3.536 2.353 -9.535 409 HB3 ASN 52 2HB ASN 52 -2.613 2.256 -11.035 410 HD21 ASN 52 1HD2 ASN 52 -1.052 0.006 -10.464 411 HD22 ASN 52 2HD2 ASN 52 -2.092 -1.368 -10.384 412 H LYS 53 H LYS 53 -2.316 4.401 -8.433 413 HA LYS 53 HA LYS 53 -1.395 6.163 -10.432 414 HB2 LYS 53 1HB LYS 53 -2.544 6.511 -7.684 415 HB3 LYS 53 2HB LYS 53 -1.992 7.904 -8.605 416 HG2 LYS 53 1HG LYS 53 -3.951 5.970 -9.783 417 HG3 LYS 53 2HG LYS 53 -4.485 7.233 -8.673 418 HD2 LYS 53 1HD LYS 53 -3.513 8.933 -10.128 419 HD3 LYS 53 2HD LYS 53 -2.944 7.676 -11.229 420 HE2 LYS 53 1HE LYS 53 -5.164 7.071 -11.822 421 HE3 LYS 53 2HE LYS 53 -5.846 8.036 -10.513 422 HZ1 LYS 53 1HZ LYS 53 -6.047 9.090 -12.711 423 HZ2 LYS 53 2HZ LYS 53 -4.361 9.161 -12.825 424 HZ3 LYS 53 3HZ LYS 53 -5.168 10.031 -11.612 425 H MET 54 H MET 54 -0.040 5.040 -7.431 426 HA MET 54 HA MET 54 2.031 7.074 -7.426 427 HB2 MET 54 1HB MET 54 1.376 4.805 -5.560 428 HB3 MET 54 2HB MET 54 2.794 5.831 -5.360 429 HG2 MET 54 1HG MET 54 1.430 7.756 -5.043 430 HG3 MET 54 2HG MET 54 -0.024 6.863 -5.475 431 HE1 MET 54 1HE MET 54 2.659 7.654 -2.899 432 HE2 MET 54 2HE MET 54 3.017 5.928 -2.961 433 HE3 MET 54 3HE MET 54 2.288 6.628 -1.516 434 H GLN 55 H GLN 55 1.536 4.254 -8.998 435 HA GLN 55 HA GLN 55 2.761 2.738 -10.089 436 HB2 GLN 55 1HB GLN 55 4.739 4.970 -9.820 437 HB3 GLN 55 2HB GLN 55 5.157 3.474 -10.670 438 HG2 GLN 55 1HG GLN 55 3.344 3.829 -12.214 439 HG3 GLN 55 2HG GLN 55 2.815 5.240 -11.310 440 HE21 GLN 55 1HE2 GLN 55 3.582 5.037 -14.088 441 HE22 GLN 55 2HE2 GLN 55 4.904 6.133 -14.318 442 H LEU 56 H LEU 56 2.404 1.777 -7.778 443 HA LEU 56 HA LEU 56 5.007 0.950 -6.742 444 HB2 LEU 56 1HB LEU 56 2.804 2.304 -5.377 445 HB3 LEU 56 2HB LEU 56 3.372 0.867 -4.517 446 HG LEU 56 HG LEU 56 5.079 3.200 -5.386 447 HD11 LEU 56 1HD1 LEU 56 4.036 2.443 -2.660 448 HD12 LEU 56 2HD1 LEU 56 3.536 3.838 -3.612 449 HD13 LEU 56 3HD1 LEU 56 5.184 3.735 -2.997 450 HD21 LEU 56 1HD2 LEU 56 5.681 0.741 -3.761 451 HD22 LEU 56 2HD2 LEU 56 6.738 2.147 -3.862 452 HD23 LEU 56 3HD2 LEU 56 6.395 1.198 -5.308 453 H PHE 57 H PHE 57 1.826 0.073 -7.696 454 HA PHE 57 HA PHE 57 2.417 -2.735 -7.068 455 HB2 PHE 57 1HB PHE 57 0.865 -2.054 -5.325 456 HB3 PHE 57 2HB PHE 57 -0.203 -1.314 -6.504 457 HD1 PHE 57 HD1 PHE 57 -1.805 -2.597 -7.704 458 HD2 PHE 57 HD2 PHE 57 1.022 -4.520 -5.167 459 HE1 PHE 57 HE1 PHE 57 -3.099 -4.680 -7.851 460 HE2 PHE 57 HE2 PHE 57 -0.271 -6.608 -5.314 461 HZ PHE 57 HZ PHE 57 -2.330 -6.691 -6.658 462 H ASP 58 H ASP 58 1.927 -4.116 -8.667 463 HA ASP 58 HA ASP 58 0.476 -3.048 -11.000 464 HB2 ASP 58 1HB ASP 58 2.798 -3.560 -11.557 465 HB3 ASP 58 2HB ASP 58 2.637 -5.171 -10.869 466 H ASP 59 H ASP 59 -1.187 -4.293 -11.844 467 HA ASP 59 HA ASP 59 -2.511 -5.885 -9.864 468 HB2 ASP 59 1HB ASP 59 -3.644 -4.324 -11.496 469 HB3 ASP 59 2HB ASP 59 -3.338 -5.513 -12.744 470 H THR 60 H THR 60 -0.406 -6.528 -12.471 471 HA THR 60 HA THR 60 -1.186 -9.312 -12.697 472 HB THR 60 HB THR 60 0.907 -7.664 -14.104 473 HG1 THR 60 HG1 THR 60 -1.567 -7.649 -14.489 474 HG21 THR 60 1HG2 THR 60 1.244 -9.586 -15.577 475 HG22 THR 60 2HG2 THR 60 0.160 -10.550 -14.575 476 HG23 THR 60 3HG2 THR 60 1.689 -9.968 -13.914 477 H GLU 61 H GLU 61 1.949 -7.645 -12.138 478 HA GLU 61 HA GLU 61 3.110 -10.069 -11.079 479 HB2 GLU 61 1HB GLU 61 4.326 -7.311 -11.052 480 HB3 GLU 61 2HB GLU 61 5.144 -8.865 -10.938 481 HG2 GLU 61 1HG GLU 61 4.537 -9.399 -13.206 482 HG3 GLU 61 2HG GLU 61 3.651 -7.881 -13.339 483 H GLY 62 H GLY 62 1.328 -7.534 -9.707 484 HA2 GLY 62 1HA GLY 62 0.667 -7.414 -7.465 485 HA3 GLY 62 2HA GLY 62 1.963 -8.540 -7.057 486 HA PRO 63 HA PRO 63 3.272 -4.505 -5.255 487 HB2 PRO 63 1HB PRO 63 4.969 -6.400 -3.739 488 HB3 PRO 63 2HB PRO 63 3.925 -5.100 -3.149 489 HG2 PRO 63 1HG PRO 63 3.267 -7.698 -2.886 490 HG3 PRO 63 2HG PRO 63 2.051 -6.431 -3.130 491 HD2 PRO 63 1HD PRO 63 3.123 -8.444 -5.054 492 HD3 PRO 63 2HD PRO 63 1.489 -7.741 -4.941 493 H LEU 64 H LEU 64 4.780 -3.389 -6.311 494 HA LEU 64 HA LEU 64 6.911 -4.782 -7.709 495 HB2 LEU 64 1HB LEU 64 6.311 -1.821 -7.649 496 HB3 LEU 64 2HB LEU 64 7.394 -2.652 -8.749 497 HG LEU 64 HG LEU 64 4.417 -3.113 -8.643 498 HD11 LEU 64 1HD1 LEU 64 6.075 -1.557 -10.622 499 HD12 LEU 64 2HD1 LEU 64 4.932 -0.875 -9.464 500 HD13 LEU 64 3HD1 LEU 64 4.355 -1.912 -10.769 501 HD21 LEU 64 1HD2 LEU 64 5.707 -5.050 -9.373 502 HD22 LEU 64 2HD2 LEU 64 6.519 -4.059 -10.584 503 HD23 LEU 64 3HD2 LEU 64 4.783 -4.353 -10.704 504 H VAL 65 H VAL 65 8.281 -5.480 -6.248 505 HA VAL 65 HA VAL 65 9.040 -4.432 -3.849 506 HB VAL 65 HB VAL 65 10.656 -6.123 -5.741 507 HG11 VAL 65 1HG1 VAL 65 11.102 -5.598 -2.805 508 HG12 VAL 65 2HG1 VAL 65 12.147 -5.084 -4.132 509 HG13 VAL 65 3HG1 VAL 65 11.955 -6.800 -3.774 510 HG21 VAL 65 1HG2 VAL 65 9.894 -7.950 -4.239 511 HG22 VAL 65 2HG2 VAL 65 8.594 -7.168 -5.135 512 HG23 VAL 65 3HG2 VAL 65 8.844 -6.782 -3.433 513 H ASP 66 H ASP 66 10.594 -3.830 -6.991 514 HA ASP 66 HA ASP 66 12.855 -2.499 -6.000 515 HB2 ASP 66 1HB ASP 66 12.649 -3.375 -8.287 516 HB3 ASP 66 2HB ASP 66 11.492 -2.104 -8.663 517 H ASN 67 H ASN 67 9.823 -1.129 -7.297 518 HA ASN 67 HA ASN 67 10.473 1.554 -6.707 519 HB2 ASN 67 1HB ASN 67 7.835 0.174 -7.166 520 HB3 ASN 67 2HB ASN 67 7.963 1.901 -6.868 521 HD21 ASN 67 1HD2 ASN 67 7.067 2.326 -8.885 522 HD22 ASN 67 2HD2 ASN 67 7.978 2.138 -10.349 523 H LEU 68 H LEU 68 8.952 -1.009 -4.900 524 HA LEU 68 HA LEU 68 7.881 0.473 -2.787 525 HB2 LEU 68 1HB LEU 68 8.726 -2.371 -3.133 526 HB3 LEU 68 2HB LEU 68 8.285 -1.788 -1.535 527 HG LEU 68 HG LEU 68 6.462 -1.470 -3.907 528 HD11 LEU 68 1HD1 LEU 68 5.310 -3.480 -3.201 529 HD12 LEU 68 2HD1 LEU 68 6.487 -3.732 -1.911 530 HD13 LEU 68 3HD1 LEU 68 6.986 -3.857 -3.597 531 HD21 LEU 68 1HD2 LEU 68 5.984 -1.496 -0.935 532 HD22 LEU 68 2HD2 LEU 68 4.758 -1.264 -2.184 533 HD23 LEU 68 3HD2 LEU 68 6.031 -0.065 -1.961 534 H VAL 69 H VAL 69 11.047 -1.075 -3.126 535 HA VAL 69 HA VAL 69 12.035 -0.275 -0.590 536 HB VAL 69 HB VAL 69 13.522 -1.022 -3.101 537 HG11 VAL 69 1HG1 VAL 69 14.977 0.183 -1.599 538 HG12 VAL 69 2HG1 VAL 69 15.384 -1.534 -1.557 539 HG13 VAL 69 3HG1 VAL 69 14.447 -0.815 -0.246 540 HG21 VAL 69 1HG2 VAL 69 12.804 -2.687 -0.697 541 HG22 VAL 69 2HG2 VAL 69 13.681 -3.227 -2.131 542 HG23 VAL 69 3HG2 VAL 69 11.988 -2.750 -2.259 543 H HIS 70 H HIS 70 12.147 1.160 -3.816 544 HA HIS 70 HA HIS 70 13.964 3.240 -3.195 545 HB2 HIS 70 1HB HIS 70 11.905 2.898 -5.362 546 HB3 HIS 70 2HB HIS 70 12.853 4.374 -5.222 547 HD1 HIS 70 HD1 HIS 70 13.918 3.825 -7.547 548 HD2 HIS 70 HD2 HIS 70 14.766 1.072 -4.551 549 HE1 HIS 70 HE1 HIS 70 15.820 2.441 -8.422 550 HE2 HIS 70 HE2 HIS 70 16.395 0.858 -6.545 551 H GLN 71 H GLN 71 10.564 2.869 -2.703 552 HA GLN 71 HA GLN 71 10.119 5.673 -2.089 553 HB2 GLN 71 1HB GLN 71 8.434 4.148 -3.229 554 HB3 GLN 71 2HB GLN 71 8.231 3.358 -1.670 555 HG2 GLN 71 1HG GLN 71 6.467 4.945 -1.997 556 HG3 GLN 71 2HG GLN 71 7.519 5.481 -0.687 557 HE21 GLN 71 1HE2 GLN 71 6.870 7.617 -0.883 558 HE22 GLN 71 2HE2 GLN 71 7.348 8.607 -2.209 559 H LEU 72 H LEU 72 9.686 2.616 -0.335 560 HA LEU 72 HA LEU 72 9.258 3.834 2.155 561 HB2 LEU 72 1HB LEU 72 10.058 1.015 1.456 562 HB3 LEU 72 2HB LEU 72 9.637 1.531 3.076 563 HG LEU 72 HG LEU 72 7.782 1.695 0.700 564 HD11 LEU 72 1HD1 LEU 72 6.618 -0.206 1.758 565 HD12 LEU 72 2HD1 LEU 72 7.918 -0.321 2.946 566 HD13 LEU 72 3HD1 LEU 72 8.253 -0.628 1.241 567 HD21 LEU 72 1HD2 LEU 72 7.348 2.138 3.651 568 HD22 LEU 72 2HD2 LEU 72 6.055 2.009 2.457 569 HD23 LEU 72 3HD2 LEU 72 7.213 3.334 2.361 570 H ALA 73 H ALA 73 12.159 2.189 0.868 571 HA ALA 73 HA ALA 73 13.703 2.811 3.206 572 HB1 ALA 73 1HB ALA 73 14.699 1.812 0.559 573 HB2 ALA 73 2HB ALA 73 14.009 0.784 1.810 574 HB3 ALA 73 3HB ALA 73 15.492 1.681 2.130 575 H HIS 74 H HIS 74 12.573 5.074 1.626 576 HA HIS 74 HA HIS 74 14.787 6.372 0.350 577 HB2 HIS 74 1HB HIS 74 12.153 6.677 0.082 578 HB3 HIS 74 2HB HIS 74 12.423 7.904 1.314 579 HD1 HIS 74 HD1 HIS 74 13.182 7.078 -2.253 580 HD2 HIS 74 HD2 HIS 74 13.755 10.212 0.427 581 HE1 HIS 74 HE1 HIS 74 13.959 9.029 -3.639 582 HE2 HIS 74 HE2 HIS 74 14.460 10.849 -1.977 583 H GLY 75 H GLY 75 16.430 6.444 1.856 584 HA2 GLY 75 1HA GLY 75 17.572 7.859 3.405 585 HA3 GLY 75 2HA GLY 75 16.019 8.288 4.107 586 H ARG 76 H ARG 76 16.815 5.001 3.325 587 HA ARG 76 HA ARG 76 17.790 4.310 5.941 588 HB2 ARG 76 1HB ARG 76 14.965 3.884 5.205 589 HB3 ARG 76 2HB ARG 76 15.773 2.480 5.890 590 HG2 ARG 76 1HG ARG 76 16.458 3.920 7.809 591 HG3 ARG 76 2HG ARG 76 15.431 5.192 7.149 592 HD2 ARG 76 1HD ARG 76 13.498 3.729 7.317 593 HD3 ARG 76 2HD ARG 76 14.516 2.437 7.944 594 HE ARG 76 HE ARG 76 14.767 4.751 9.550 595 HH11 ARG 76 1HH1 ARG 76 12.557 2.138 8.824 596 HH12 ARG 76 2HH1 ARG 76 11.773 2.198 10.372 597 HH21 ARG 76 1HH2 ARG 76 13.756 4.816 11.605 598 HH22 ARG 76 2HH2 ARG 76 12.460 3.715 11.952 599 H ASP 77 H ASP 77 18.098 1.825 6.050 600 HA ASP 77 HA ASP 77 19.607 1.063 3.799 601 HB2 ASP 77 1HB ASP 77 20.121 0.261 6.055 602 HB3 ASP 77 2HB ASP 77 18.624 -0.667 6.072 603 H ALA 78 H ALA 78 19.051 0.221 2.003 604 HA ALA 78 HA ALA 78 16.371 -0.223 1.279 605 HB1 ALA 78 1HB ALA 78 18.075 0.601 -0.253 606 HB2 ALA 78 2HB ALA 78 17.274 -0.835 -0.886 607 HB3 ALA 78 3HB ALA 78 18.888 -0.960 -0.187 608 H GLU 79 H GLU 79 18.976 -2.423 2.132 609 HA GLU 79 HA GLU 79 17.772 -4.753 1.055 610 HB2 GLU 79 1HB GLU 79 19.970 -4.372 3.074 611 HB3 GLU 79 2HB GLU 79 19.465 -5.952 2.486 612 HG2 GLU 79 1HG GLU 79 20.049 -5.339 0.228 613 HG3 GLU 79 2HG GLU 79 20.466 -3.710 0.748 614 H GLU 80 H GLU 80 17.915 -3.425 4.349 615 HA GLU 80 HA GLU 80 16.440 -5.433 5.623 616 HB2 GLU 80 1HB GLU 80 16.804 -2.506 6.171 617 HB3 GLU 80 2HB GLU 80 15.748 -3.491 7.176 618 HG2 GLU 80 1HG GLU 80 18.675 -3.968 6.699 619 HG3 GLU 80 2HG GLU 80 17.963 -3.278 8.148 620 H VAL 81 H VAL 81 15.320 -2.394 4.181 621 HA VAL 81 HA VAL 81 12.591 -2.737 4.626 622 HB VAL 81 HB VAL 81 14.055 -1.242 2.470 623 HG11 VAL 81 1HG1 VAL 81 11.824 -1.646 1.657 624 HG12 VAL 81 2HG1 VAL 81 11.949 0.035 2.180 625 HG13 VAL 81 3HG1 VAL 81 11.136 -1.152 3.204 626 HG21 VAL 81 1HG2 VAL 81 14.551 -0.450 4.661 627 HG22 VAL 81 2HG2 VAL 81 12.841 -0.436 5.094 628 HG23 VAL 81 3HG2 VAL 81 13.456 0.702 3.894 629 H ARG 82 H ARG 82 14.547 -3.578 1.762 630 HA ARG 82 HA ARG 82 12.584 -4.643 0.133 631 HB2 ARG 82 1HB ARG 82 14.978 -4.254 -0.465 632 HB3 ARG 82 2HB ARG 82 15.390 -5.710 0.433 633 HG2 ARG 82 1HG ARG 82 14.036 -7.042 -1.053 634 HG3 ARG 82 2HG ARG 82 13.543 -5.596 -1.930 635 HD2 ARG 82 1HD ARG 82 16.340 -6.684 -1.700 636 HD3 ARG 82 2HD ARG 82 15.305 -6.762 -3.123 637 HE ARG 82 HE ARG 82 16.633 -4.375 -2.051 638 HH11 ARG 82 1HH1 ARG 82 14.649 -5.859 -4.524 639 HH12 ARG 82 2HH1 ARG 82 14.906 -4.588 -5.677 640 HH21 ARG 82 1HH2 ARG 82 16.975 -2.695 -3.564 641 HH22 ARG 82 2HH2 ARG 82 16.230 -2.781 -5.127 642 H THR 83 H THR 83 14.437 -6.214 2.693 643 HA THR 83 HA THR 83 13.546 -8.839 2.281 644 HB THR 83 HB THR 83 14.637 -7.380 4.676 645 HG1 THR 83 HG1 THR 83 16.390 -7.841 3.632 646 HG21 THR 83 1HG2 THR 83 14.917 -9.552 5.794 647 HG22 THR 83 2HG2 THR 83 13.998 -10.328 4.504 648 HG23 THR 83 3HG2 THR 83 13.215 -9.151 5.559 649 H GLU 84 H GLU 84 12.443 -6.403 4.631 650 HA GLU 84 HA GLU 84 10.352 -7.923 5.711 651 HB2 GLU 84 1HB GLU 84 10.679 -4.922 5.593 652 HB3 GLU 84 2HB GLU 84 9.556 -5.786 6.638 653 HG2 GLU 84 1HG GLU 84 11.375 -6.868 7.776 654 HG3 GLU 84 2HG GLU 84 12.541 -6.127 6.684 655 H VAL 85 H VAL 85 10.384 -5.659 2.972 656 HA VAL 85 HA VAL 85 7.649 -5.637 2.407 657 HB VAL 85 HB VAL 85 10.070 -5.383 0.633 658 HG11 VAL 85 1HG1 VAL 85 8.302 -6.384 -0.720 659 HG12 VAL 85 2HG1 VAL 85 8.584 -4.706 -1.194 660 HG13 VAL 85 3HG1 VAL 85 7.183 -5.122 -0.203 661 HG21 VAL 85 1HG2 VAL 85 7.961 -3.428 1.535 662 HG22 VAL 85 2HG2 VAL 85 9.333 -3.056 0.488 663 HG23 VAL 85 3HG2 VAL 85 9.608 -3.552 2.159 664 H LEU 86 H LEU 86 10.195 -7.828 1.226 665 HA LEU 86 HA LEU 86 8.638 -9.389 -0.466 666 HB2 LEU 86 1HB LEU 86 11.125 -10.044 1.106 667 HB3 LEU 86 2HB LEU 86 10.412 -11.140 -0.076 668 HG LEU 86 HG LEU 86 11.281 -8.345 -0.766 669 HD11 LEU 86 1HD1 LEU 86 13.333 -9.311 -1.628 670 HD12 LEU 86 2HD1 LEU 86 12.844 -10.905 -1.053 671 HD13 LEU 86 3HD1 LEU 86 13.189 -9.618 0.103 672 HD21 LEU 86 1HD2 LEU 86 9.708 -9.342 -2.305 673 HD22 LEU 86 2HD2 LEU 86 10.686 -10.803 -2.399 674 HD23 LEU 86 3HD2 LEU 86 11.308 -9.283 -3.043 675 H LYS 87 H LYS 87 9.027 -9.530 3.006 676 HA LYS 87 HA LYS 87 7.851 -12.131 3.306 677 HB2 LYS 87 1HB LYS 87 8.413 -9.918 5.279 678 HB3 LYS 87 2HB LYS 87 7.732 -11.474 5.736 679 HG2 LYS 87 1HG LYS 87 9.707 -12.612 4.918 680 HG3 LYS 87 2HG LYS 87 10.389 -11.070 4.378 681 HD2 LYS 87 1HD LYS 87 10.465 -10.286 6.674 682 HD3 LYS 87 2HD LYS 87 9.722 -11.787 7.230 683 HE2 LYS 87 1HE LYS 87 11.658 -13.013 6.246 684 HE3 LYS 87 2HE LYS 87 12.413 -11.456 5.922 685 HZ1 LYS 87 1HZ LYS 87 11.643 -12.473 8.602 686 HZ2 LYS 87 2HZ LYS 87 12.384 -10.987 8.288 687 HZ3 LYS 87 3HZ LYS 87 13.216 -12.427 7.980 688 H CYS 88 H CYS 88 6.649 -9.107 2.612 689 HA CYS 88 HA CYS 88 3.980 -9.788 3.612 690 HB2 CYS 88 1HB CYS 88 5.326 -7.199 2.951 691 HB3 CYS 88 2HB CYS 88 3.553 -7.306 2.881 692 H VAL 89 H VAL 89 5.897 -9.858 0.879 693 HA VAL 89 HA VAL 89 3.817 -9.482 -1.068 694 HB VAL 89 HB VAL 89 6.568 -10.699 -1.357 695 HG11 VAL 89 1HG1 VAL 89 4.557 -9.841 -3.431 696 HG12 VAL 89 2HG1 VAL 89 5.092 -11.489 -3.104 697 HG13 VAL 89 3HG1 VAL 89 6.221 -10.313 -3.775 698 HG21 VAL 89 1HG2 VAL 89 7.135 -8.544 -2.425 699 HG22 VAL 89 2HG2 VAL 89 6.707 -8.373 -0.724 700 HG23 VAL 89 3HG2 VAL 89 5.544 -7.931 -1.974 701 H ASP 90 H ASP 90 2.189 -10.876 -0.839 702 HA ASP 90 HA ASP 90 2.822 -13.731 -0.630 703 HB2 ASP 90 1HB ASP 90 0.503 -12.120 0.345 704 HB3 ASP 90 2HB ASP 90 0.255 -13.822 -0.049 705 H LYS 91 H LYS 91 1.083 -15.126 -1.623 706 HA LYS 91 HA LYS 91 0.904 -14.437 -4.438 707 HB2 LYS 91 1HB LYS 91 1.339 -16.777 -3.038 708 HB3 LYS 91 2HB LYS 91 -0.337 -16.925 -3.544 709 HG2 LYS 91 1HG LYS 91 0.263 -16.658 -5.837 710 HG3 LYS 91 2HG LYS 91 1.943 -16.346 -5.394 711 HD2 LYS 91 1HD LYS 91 0.466 -18.909 -4.816 712 HD3 LYS 91 2HD LYS 91 1.545 -18.664 -6.190 713 HE2 LYS 91 1HE LYS 91 2.301 -18.471 -3.276 714 HE3 LYS 91 2HE LYS 91 2.701 -19.795 -4.364 715 HZ1 LYS 91 1HZ LYS 91 3.602 -16.987 -4.693 716 HZ2 LYS 91 2HZ LYS 91 4.018 -18.287 -5.689 717 HZ3 LYS 91 3HZ LYS 91 4.544 -18.249 -4.083 718 H ASN 92 H ASN 92 -1.007 -14.418 -5.619 719 HA ASN 92 HA ASN 92 -3.293 -13.370 -4.231 720 HB2 ASN 92 1HB ASN 92 -2.569 -12.568 -6.479 721 HB3 ASN 92 2HB ASN 92 -3.001 -14.137 -7.138 722 HD21 ASN 92 1HD2 ASN 92 -4.438 -13.123 -8.546 723 HD22 ASN 92 2HD2 ASN 92 -5.990 -12.563 -8.016 724 H THR 93 H THR 93 -3.259 -15.535 -2.970 725 HA THR 93 HA THR 93 -4.629 -17.740 -4.202 726 HB THR 93 HB THR 93 -4.891 -18.551 -1.851 727 HG1 THR 93 HG1 THR 93 -4.719 -17.090 -0.332 728 HG21 THR 93 1HG2 THR 93 -2.116 -17.675 -2.617 729 HG22 THR 93 2HG2 THR 93 -2.923 -19.145 -3.153 730 HG23 THR 93 3HG2 THR 93 -2.513 -18.934 -1.453 731 H ASP 94 H ASP 94 -5.516 -14.749 -2.874 732 HA ASP 94 HA ASP 94 -8.152 -15.429 -2.009 733 HB2 ASP 94 1HB ASP 94 -7.005 -12.719 -2.733 734 HB3 ASP 94 2HB ASP 94 -8.512 -13.004 -1.852 735 H ASN 95 H ASN 95 -6.655 -14.750 -4.971 736 HA ASN 95 HA ASN 95 -7.327 -14.684 -7.111 737 HB2 ASN 95 1HB ASN 95 -9.875 -15.818 -5.968 738 HB3 ASN 95 2HB ASN 95 -9.546 -15.667 -7.685 739 HD21 ASN 95 1HD2 ASN 95 -10.034 -18.024 -6.054 740 HD22 ASN 95 2HD2 ASN 95 -8.652 -19.049 -6.279 741 H ASN 96 H ASN 96 -7.901 -12.460 -5.157 742 HA ASN 96 HA ASN 96 -9.617 -10.923 -6.964 743 HB2 ASN 96 1HB ASN 96 -11.113 -11.445 -5.176 744 HB3 ASN 96 2HB ASN 96 -9.892 -11.099 -3.955 745 HD21 ASN 96 1HD2 ASN 96 -12.201 -9.760 -6.171 746 HD22 ASN 96 2HD2 ASN 96 -12.158 -8.145 -5.553 747 H ALA 97 H ALA 97 -8.546 -9.227 -7.656 748 HA ALA 97 HA ALA 97 -5.916 -8.695 -6.832 749 HB1 ALA 97 1HB ALA 97 -6.748 -8.328 -9.108 750 HB2 ALA 97 2HB ALA 97 -5.956 -6.897 -8.446 751 HB3 ALA 97 3HB ALA 97 -7.716 -6.975 -8.522 752 H CYS 98 H CYS 98 -8.970 -7.126 -6.003 753 HA CYS 98 HA CYS 98 -7.838 -4.820 -4.817 754 HB2 CYS 98 1HB CYS 98 -10.452 -6.175 -4.131 755 HB3 CYS 98 2HB CYS 98 -9.970 -4.556 -3.638 756 H HIS 99 H HIS 99 -8.565 -8.034 -3.513 757 HA HIS 99 HA HIS 99 -7.812 -7.252 -0.847 758 HB2 HIS 99 1HB HIS 99 -9.431 -9.127 -1.378 759 HB3 HIS 99 2HB HIS 99 -8.041 -10.072 -1.904 760 HD1 HIS 99 HD1 HIS 99 -6.522 -11.079 -0.090 761 HD2 HIS 99 HD2 HIS 99 -9.591 -8.706 1.425 762 HE1 HIS 99 HE1 HIS 99 -6.513 -11.452 2.393 763 HE2 HIS 99 HE2 HIS 99 -8.478 -10.145 3.259 764 H TRP 100 H TRP 100 -6.195 -8.460 -3.648 765 HA TRP 100 HA TRP 100 -3.928 -9.558 -2.357 766 HB2 TRP 100 1HB TRP 100 -4.579 -10.017 -4.729 767 HB3 TRP 100 2HB TRP 100 -4.047 -8.388 -5.149 768 HD1 TRP 100 HD1 TRP 100 -1.773 -9.927 -2.642 769 HE1 TRP 100 HE1 TRP 100 0.372 -10.771 -3.776 770 HE3 TRP 100 HE3 TRP 100 -3.252 -9.592 -7.526 771 HZ2 TRP 100 HZ2 TRP 100 1.311 -11.252 -6.395 772 HZ3 TRP 100 HZ3 TRP 100 -1.673 -10.266 -9.281 773 HH2 TRP 100 HH2 TRP 100 0.560 -11.078 -8.735 774 H ALA 101 H ALA 101 -4.431 -6.410 -3.948 775 HA ALA 101 HA ALA 101 -1.964 -5.271 -3.219 776 HB1 ALA 101 1HB ALA 101 -3.042 -3.114 -3.724 777 HB2 ALA 101 2HB ALA 101 -4.609 -3.926 -3.784 778 HB3 ALA 101 3HB ALA 101 -3.363 -4.325 -4.966 779 H PHE 102 H PHE 102 -5.084 -5.392 -1.643 780 HA PHE 102 HA PHE 102 -4.457 -3.681 0.513 781 HB2 PHE 102 1HB PHE 102 -6.739 -4.190 -0.212 782 HB3 PHE 102 2HB PHE 102 -6.547 -5.853 0.323 783 HD1 PHE 102 HD1 PHE 102 -6.448 -2.349 1.551 784 HD2 PHE 102 HD2 PHE 102 -7.180 -6.435 2.490 785 HE1 PHE 102 HE1 PHE 102 -7.276 -1.685 3.770 786 HE2 PHE 102 HE2 PHE 102 -8.012 -5.779 4.710 787 HZ PHE 102 HZ PHE 102 -8.058 -3.400 5.355 788 H ARG 103 H ARG 103 -3.901 -7.014 -0.162 789 HA ARG 103 HA ARG 103 -3.523 -7.974 2.491 790 HB2 ARG 103 1HB ARG 103 -4.048 -9.345 0.430 791 HB3 ARG 103 2HB ARG 103 -2.389 -9.081 -0.073 792 HG2 ARG 103 1HG ARG 103 -1.548 -10.294 1.795 793 HG3 ARG 103 2HG ARG 103 -3.160 -10.405 2.499 794 HD2 ARG 103 1HD ARG 103 -3.916 -11.785 0.660 795 HD3 ARG 103 2HD ARG 103 -2.371 -11.594 -0.164 796 HE ARG 103 HE ARG 103 -1.780 -12.701 2.288 797 HH11 ARG 103 1HH1 ARG 103 -3.846 -13.558 -0.406 798 HH12 ARG 103 2HH1 ARG 103 -3.535 -15.264 -0.276 799 HH21 ARG 103 1HH2 ARG 103 -1.388 -14.942 2.495 800 HH22 ARG 103 2HH2 ARG 103 -2.161 -16.053 1.410 801 H GLY 104 H GLY 104 -1.338 -6.912 -0.090 802 HA2 GLY 104 1HA GLY 104 1.081 -7.287 1.340 803 HA3 GLY 104 2HA GLY 104 0.856 -6.220 -0.051 804 H PHE 105 H PHE 105 -0.981 -4.433 0.898 805 HA PHE 105 HA PHE 105 0.637 -2.630 2.303 806 HB2 PHE 105 1HB PHE 105 -1.005 -1.733 0.861 807 HB3 PHE 105 2HB PHE 105 -2.287 -2.658 1.623 808 HD1 PHE 105 HD1 PHE 105 -3.809 -1.172 2.539 809 HD2 PHE 105 HD2 PHE 105 0.360 -0.429 3.005 810 HE1 PHE 105 HE1 PHE 105 -4.317 0.763 3.964 811 HE2 PHE 105 HE2 PHE 105 -0.152 1.509 4.431 812 HZ PHE 105 HZ PHE 105 -2.486 2.107 4.915 813 H LYS 106 H LYS 106 -2.064 -4.648 3.351 814 HA LYS 106 HA LYS 106 -2.239 -3.557 5.943 815 HB2 LYS 106 1HB LYS 106 -4.194 -4.560 5.295 816 HB3 LYS 106 2HB LYS 106 -3.392 -5.953 4.570 817 HG2 LYS 106 1HG LYS 106 -2.970 -6.854 6.786 818 HG3 LYS 106 2HG LYS 106 -3.674 -5.411 7.520 819 HD2 LYS 106 1HD LYS 106 -5.825 -5.929 6.493 820 HD3 LYS 106 2HD LYS 106 -5.123 -7.355 5.727 821 HE2 LYS 106 1HE LYS 106 -5.325 -6.887 8.699 822 HE3 LYS 106 2HE LYS 106 -6.402 -7.914 7.755 823 HZ1 LYS 106 1HZ LYS 106 -4.469 -9.268 7.155 824 HZ2 LYS 106 2HZ LYS 106 -4.726 -9.240 8.823 825 HZ3 LYS 106 3HZ LYS 106 -3.485 -8.312 8.144 826 H CYS 107 H CYS 107 -0.406 -6.212 4.581 827 HA CYS 107 HA CYS 107 0.419 -7.356 7.018 828 HB2 CYS 107 1HB CYS 107 0.627 -8.685 5.085 829 HB3 CYS 107 2HB CYS 107 1.546 -7.462 4.223 830 H PHE 108 H PHE 108 1.884 -4.920 4.907 831 HA PHE 108 HA PHE 108 4.339 -4.851 6.343 832 HB2 PHE 108 1HB PHE 108 3.988 -4.256 3.913 833 HB3 PHE 108 2HB PHE 108 3.307 -2.729 4.475 834 HD1 PHE 108 HD1 PHE 108 4.732 -0.995 5.352 835 HD2 PHE 108 HD2 PHE 108 6.344 -4.772 4.224 836 HE1 PHE 108 HE1 PHE 108 7.003 -0.059 5.465 837 HE2 PHE 108 HE2 PHE 108 8.615 -3.838 4.341 838 HZ PHE 108 HZ PHE 108 8.945 -1.478 4.956 839 H GLN 109 H GLN 109 1.478 -2.744 6.250 840 HA GLN 109 HA GLN 109 2.490 -0.789 8.002 841 HB2 GLN 109 1HB GLN 109 0.235 0.022 8.184 842 HB3 GLN 109 2HB GLN 109 0.546 -0.437 6.519 843 HG2 GLN 109 1HG GLN 109 -1.434 -1.444 6.661 844 HG3 GLN 109 2HG GLN 109 -0.555 -2.717 7.516 845 HE21 GLN 109 1HE2 GLN 109 -3.350 -1.907 7.733 846 HE22 GLN 109 2HE2 GLN 109 -3.597 -1.496 9.394 847 H LYS 110 H LYS 110 1.230 -3.927 8.539 848 HA LYS 110 HA LYS 110 0.290 -3.722 11.173 849 HB2 LYS 110 1HB LYS 110 -0.131 -5.634 9.701 850 HB3 LYS 110 2HB LYS 110 1.571 -6.049 9.728 851 HG2 LYS 110 1HG LYS 110 0.584 -7.528 11.211 852 HG3 LYS 110 2HG LYS 110 1.291 -6.282 12.241 853 HD2 LYS 110 1HD LYS 110 -0.882 -5.203 12.454 854 HD3 LYS 110 2HD LYS 110 -1.600 -6.414 11.391 855 HE2 LYS 110 1HE LYS 110 -0.368 -6.903 14.103 856 HE3 LYS 110 2HE LYS 110 -2.083 -6.934 13.709 857 HZ1 LYS 110 1HZ LYS 110 -1.688 -8.826 12.264 858 HZ2 LYS 110 2HZ LYS 110 -1.158 -9.156 13.834 859 HZ3 LYS 110 3HZ LYS 110 -0.035 -8.791 12.628 860 H ASN 111 H ASN 111 3.510 -3.872 9.852 861 HA ASN 111 HA ASN 111 4.590 -4.117 12.585 862 HB2 ASN 111 1HB ASN 111 5.813 -5.135 10.014 863 HB3 ASN 111 2HB ASN 111 6.584 -5.179 11.597 864 HD21 ASN 111 1HD2 ASN 111 4.066 -6.512 9.602 865 HD22 ASN 111 2HD2 ASN 111 3.744 -7.889 10.593 866 H ASN 112 H ASN 112 4.642 -2.382 9.578 867 HA ASN 112 HA ASN 112 6.684 -0.569 10.671 868 HB2 ASN 112 1HB ASN 112 6.699 -1.880 7.949 869 HB3 ASN 112 2HB ASN 112 7.655 -0.446 8.341 870 HD21 ASN 112 1HD2 ASN 112 8.213 -3.373 7.681 871 HD22 ASN 112 2HD2 ASN 112 9.392 -3.832 8.871 872 H LEU 113 H LEU 113 4.271 0.343 10.945 873 HA LEU 113 HA LEU 113 3.243 1.575 8.556 874 HB2 LEU 113 1HB LEU 113 1.659 0.904 10.207 875 HB3 LEU 113 2HB LEU 113 2.465 1.832 11.453 876 HG LEU 113 HG LEU 113 1.803 3.909 10.255 877 HD11 LEU 113 1HD1 LEU 113 0.187 3.807 8.470 878 HD12 LEU 113 2HD1 LEU 113 0.171 2.048 8.543 879 HD13 LEU 113 3HD1 LEU 113 1.624 2.892 8.013 880 HD21 LEU 113 1HD2 LEU 113 -0.579 3.771 10.855 881 HD22 LEU 113 2HD2 LEU 113 0.460 3.071 12.096 882 HD23 LEU 113 3HD2 LEU 113 -0.426 2.021 10.993 883 H SER 114 H SER 114 5.321 2.473 11.179 884 HA SER 114 HA SER 114 5.263 5.266 10.924 885 HB2 SER 114 1HB SER 114 7.617 5.065 11.936 886 HB3 SER 114 2HB SER 114 6.284 4.374 12.861 887 HG SER 114 HG SER 114 7.652 2.729 12.849 888 H LEU 115 H LEU 115 7.162 2.807 9.239 889 HA LEU 115 HA LEU 115 8.856 4.597 7.851 890 HB2 LEU 115 1HB LEU 115 9.297 2.175 8.161 891 HB3 LEU 115 2HB LEU 115 7.991 1.826 7.046 892 HG LEU 115 HG LEU 115 9.251 3.052 5.275 893 HD11 LEU 115 1HD1 LEU 115 10.610 4.478 6.649 894 HD12 LEU 115 2HD1 LEU 115 11.655 3.440 5.678 895 HD13 LEU 115 3HD1 LEU 115 11.391 3.081 7.386 896 HD21 LEU 115 1HD2 LEU 115 10.891 1.273 4.903 897 HD22 LEU 115 2HD2 LEU 115 9.331 0.626 5.414 898 HD23 LEU 115 3HD2 LEU 115 10.665 0.722 6.563 899 H ILE 116 H ILE 116 5.688 3.257 7.225 900 HA ILE 116 HA ILE 116 5.442 4.042 4.529 901 HB ILE 116 HB ILE 116 3.298 3.625 6.626 902 HG12 ILE 116 1HG1 ILE 116 4.421 1.776 4.504 903 HG13 ILE 116 2HG1 ILE 116 4.664 1.634 6.250 904 HG21 ILE 116 1HG2 ILE 116 3.061 3.799 3.628 905 HG22 ILE 116 2HG2 ILE 116 2.432 4.962 4.797 906 HG23 ILE 116 3HG2 ILE 116 1.765 3.329 4.727 907 HD11 ILE 116 1HD1 ILE 116 2.128 1.241 4.696 908 HD12 ILE 116 2HD1 ILE 116 2.177 1.365 6.453 909 HD13 ILE 116 3HD1 ILE 116 3.022 0.050 5.638 910 H LYS 117 H LYS 117 4.649 5.614 7.579 911 HA LYS 117 HA LYS 117 3.515 7.945 6.440 912 HB2 LYS 117 1HB LYS 117 4.638 7.333 9.165 913 HB3 LYS 117 2HB LYS 117 3.927 8.890 8.759 914 HG2 LYS 117 1HG LYS 117 1.804 7.844 8.287 915 HG3 LYS 117 2HG LYS 117 2.492 6.243 8.547 916 HD2 LYS 117 1HD LYS 117 2.883 6.750 10.881 917 HD3 LYS 117 2HD LYS 117 2.330 8.409 10.648 918 HE2 LYS 117 1HE LYS 117 0.099 7.622 10.122 919 HE3 LYS 117 2HE LYS 117 0.636 5.949 10.231 920 HZ1 LYS 117 1HZ LYS 117 -0.485 6.589 12.239 921 HZ2 LYS 117 2HZ LYS 117 0.542 7.911 12.452 922 HZ3 LYS 117 3HZ LYS 117 1.153 6.340 12.583 923 H ALA 118 H ALA 118 6.748 7.075 7.540 924 HA ALA 118 HA ALA 118 7.869 9.671 7.272 925 HB1 ALA 118 1HB ALA 118 9.997 8.567 7.582 926 HB2 ALA 118 2HB ALA 118 9.244 6.998 7.288 927 HB3 ALA 118 3HB ALA 118 8.802 7.935 8.715 928 H SER 119 H SER 119 7.629 6.916 5.087 929 HA SER 119 HA SER 119 9.519 7.750 3.206 930 HB2 SER 119 1HB SER 119 8.374 6.210 1.638 931 HB3 SER 119 2HB SER 119 8.657 5.476 3.216 932 HG SER 119 HG SER 119 6.504 5.789 3.723 933 H ILE 120 H ILE 120 6.080 8.532 3.492 934 HA ILE 120 HA ILE 120 6.136 10.051 1.016 935 HB ILE 120 HB ILE 120 3.762 10.582 1.540 936 HG12 ILE 120 1HG1 ILE 120 4.061 8.631 3.821 937 HG13 ILE 120 2HG1 ILE 120 4.087 10.379 4.042 938 HG21 ILE 120 1HG2 ILE 120 4.322 8.665 0.162 939 HG22 ILE 120 2HG2 ILE 120 2.918 8.309 1.170 940 HG23 ILE 120 3HG2 ILE 120 4.501 7.663 1.603 941 HD11 ILE 120 1HD1 ILE 120 1.897 9.430 4.519 942 HD12 ILE 120 2HD1 ILE 120 1.811 8.804 2.874 943 HD13 ILE 120 3HD1 ILE 120 1.842 10.541 3.153 944 H LYS 121 H LYS 121 6.936 10.624 4.219 945 HA LYS 121 HA LYS 121 6.139 13.423 4.185 946 HB2 LYS 121 1HB LYS 121 6.130 11.715 6.210 947 HB3 LYS 121 2HB LYS 121 7.805 12.219 6.349 948 HG2 LYS 121 1HG LYS 121 5.441 14.093 6.383 949 HG3 LYS 121 2HG LYS 121 6.254 13.479 7.821 950 HD2 LYS 121 1HD LYS 121 8.329 14.560 7.106 951 HD3 LYS 121 2HD LYS 121 7.524 15.158 5.655 952 HE2 LYS 121 1HE LYS 121 6.802 15.845 8.500 953 HE3 LYS 121 2HE LYS 121 7.657 16.890 7.371 954 HZ1 LYS 121 1HZ LYS 121 4.882 15.889 7.019 955 HZ2 LYS 121 2HZ LYS 121 5.703 16.923 5.963 956 HZ3 LYS 121 3HZ LYS 121 5.305 17.447 7.517 957 H LYS 122 H LYS 122 7.474 14.946 3.426 958 HA LYS 122 HA LYS 122 10.351 14.615 3.734 959 HB2 LYS 122 1HB LYS 122 9.114 14.051 1.270 960 HB3 LYS 122 2HB LYS 122 9.832 15.632 1.090 961 HG2 LYS 122 1HG LYS 122 11.327 13.202 2.047 962 HG3 LYS 122 2HG LYS 122 11.319 13.788 0.384 963 HD2 LYS 122 1HD LYS 122 12.279 15.915 1.131 964 HD3 LYS 122 2HD LYS 122 12.289 15.326 2.793 965 HE2 LYS 122 1HE LYS 122 13.771 14.034 0.511 966 HE3 LYS 122 2HE LYS 122 14.492 15.163 1.655 967 HZ1 LYS 122 1HZ LYS 122 14.904 12.828 2.223 968 HZ2 LYS 122 2HZ LYS 122 13.243 12.574 2.398 969 HZ3 LYS 122 3HZ LYS 122 14.048 13.634 3.437 970 H ASP 123 H ASP 123 10.806 16.349 4.855 971 HA ASP 123 HA ASP 123 9.844 18.934 3.847 972 HB2 ASP 123 1HB ASP 123 8.832 18.201 6.041 973 HB3 ASP 123 2HB ASP 123 10.441 18.335 6.738 974 H21 ACD 201 H21 ACD 1 -4.320 4.405 1.875 975 H22 ACD 201 H22 ACD 1 -3.015 4.749 3.017 976 H31 ACD 201 H31 ACD 1 -2.000 6.319 1.410 977 H32 ACD 201 H32 ACD 1 -3.322 6.055 0.274 978 H41 ACD 201 H41 ACD 1 -2.691 3.684 0.034 979 H42 ACD 201 H42 ACD 1 -1.289 4.711 -0.299 980 H5 ACD 201 H5 ACD 1 -1.649 2.866 2.106 981 H6 ACD 201 H6 ACD 1 0.590 3.553 2.594 982 H71 ACD 201 H71 ACD 1 0.866 4.970 0.088 983 H72 ACD 201 H72 ACD 1 -0.101 6.058 1.084 984 H8 ACD 201 H8 ACD 1 1.797 6.464 2.587 985 H9 ACD 201 H9 ACD 1 3.914 5.504 2.056 986 H101 ACD 201 H101 ACD 1 2.876 4.594 -0.510 987 H102 ACD 201 H102 ACD 1 2.417 3.342 0.644 988 H11 ACD 201 H11 ACD 1 5.369 4.243 0.552 989 H12 ACD 201 H12 ACD 1 5.714 1.915 0.218 990 H131 ACD 201 H131 ACD 1 2.759 1.952 -0.554 991 H132 ACD 201 H132 ACD 1 3.857 0.573 -0.650 992 H14 ACD 201 H14 ACD 1 2.689 1.606 2.036 993 H15 ACD 201 H15 ACD 1 2.535 -0.728 2.454 994 H161 ACD 201 H161 ACD 1 2.725 -1.462 -0.312 995 H162 ACD 201 H162 ACD 1 4.385 -1.005 0.083 996 H171 ACD 201 H171 ACD 1 4.527 -2.653 1.832 997 H172 ACD 201 H172 ACD 1 2.795 -2.980 1.754 998 H181 ACD 201 H181 ACD 1 4.775 -3.532 -0.494 999 H182 ACD 201 H182 ACD 1 3.046 -3.894 -0.529 1000 H191 ACD 201 H191 ACD 1 5.097 -5.075 1.399 1001 H192 ACD 201 H192 ACD 1 3.360 -5.375 1.490 1002 H201 ACD 201 H201 ACD 1 3.425 -6.349 -0.771 1003 H202 ACD 201 H202 ACD 1 4.511 -7.180 0.290 1004 H203 ACD 201 H203 ACD 1 5.127 -6.051 -0.868 Start of MODEL 24 1 H1 MET 1 1H MET 1 17.543 9.529 -12.661 2 H2 MET 1 2H MET 1 18.463 10.945 -12.621 3 H3 MET 1 3H MET 1 18.720 9.805 -13.839 4 HA MET 1 HA MET 1 17.488 11.725 -14.638 5 HB2 MET 1 1HB MET 1 15.721 10.491 -15.763 6 HB3 MET 1 2HB MET 1 17.179 9.515 -15.686 7 HG2 MET 1 1HG MET 1 16.253 8.244 -13.834 8 HG3 MET 1 2HG MET 1 14.802 9.242 -13.861 9 HE1 MET 1 1HE MET 1 16.025 6.324 -17.222 10 HE2 MET 1 2HE MET 1 16.921 6.533 -15.719 11 HE3 MET 1 3HE MET 1 16.887 7.831 -16.911 12 H GLU 2 H GLU 2 17.101 11.613 -11.659 13 HA GLU 2 HA GLU 2 15.803 12.635 -10.127 14 HB2 GLU 2 1HB GLU 2 15.637 14.402 -11.862 15 HB3 GLU 2 2HB GLU 2 14.174 13.635 -12.455 16 HG2 GLU 2 1HG GLU 2 13.144 13.998 -10.235 17 HG3 GLU 2 2HG GLU 2 14.587 14.893 -9.759 18 H PHE 3 H PHE 3 15.305 10.177 -9.938 19 HA PHE 3 HA PHE 3 12.600 9.423 -10.441 20 HB2 PHE 3 1HB PHE 3 14.325 7.720 -10.110 21 HB3 PHE 3 2HB PHE 3 14.587 8.286 -8.454 22 HD1 PHE 3 HD1 PHE 3 12.229 6.603 -10.721 23 HD2 PHE 3 HD2 PHE 3 13.137 7.619 -6.693 24 HE1 PHE 3 HE1 PHE 3 10.489 5.045 -9.940 25 HE2 PHE 3 HE2 PHE 3 11.401 6.065 -5.902 26 HZ PHE 3 HZ PHE 3 10.073 4.775 -7.528 27 H THR 4 H THR 4 10.997 10.519 -9.573 28 HA THR 4 HA THR 4 11.329 11.706 -6.910 29 HB THR 4 HB THR 4 8.857 12.352 -8.321 30 HG1 THR 4 HG1 THR 4 11.313 12.510 -9.652 31 HG21 THR 4 1HG2 THR 4 11.140 14.015 -7.272 32 HG22 THR 4 2HG2 THR 4 9.693 13.555 -6.375 33 HG23 THR 4 3HG2 THR 4 9.562 14.622 -7.771 34 H VAL 5 H VAL 5 10.473 10.752 -5.240 35 HA VAL 5 HA VAL 5 8.576 8.574 -5.567 36 HB VAL 5 HB VAL 5 9.014 7.960 -3.400 37 HG11 VAL 5 1HG1 VAL 5 11.347 8.210 -2.894 38 HG12 VAL 5 2HG1 VAL 5 11.468 9.560 -4.021 39 HG13 VAL 5 3HG1 VAL 5 11.098 7.941 -4.619 40 HG21 VAL 5 1HG2 VAL 5 8.169 10.027 -2.351 41 HG22 VAL 5 2HG2 VAL 5 9.727 10.796 -2.653 42 HG23 VAL 5 3HG2 VAL 5 9.621 9.417 -1.559 43 H SER 6 H SER 6 6.508 8.529 -4.844 44 HA SER 6 HA SER 6 5.035 10.937 -4.984 45 HB2 SER 6 1HB SER 6 4.176 8.217 -3.963 46 HB3 SER 6 2HB SER 6 3.094 9.527 -4.432 47 HG SER 6 HG SER 6 4.668 9.235 -6.469 48 H THR 7 H THR 7 5.454 12.437 -3.445 49 HA THR 7 HA THR 7 5.798 11.734 -0.680 50 HB THR 7 HB THR 7 5.937 14.155 -0.282 51 HG1 THR 7 HG1 THR 7 5.206 14.299 -3.042 52 HG21 THR 7 1HG2 THR 7 7.937 12.945 -1.012 53 HG22 THR 7 2HG2 THR 7 7.935 14.601 -1.619 54 HG23 THR 7 3HG2 THR 7 7.521 13.267 -2.695 55 H THR 8 H THR 8 4.468 13.521 0.795 56 HA THR 8 HA THR 8 1.927 12.402 1.078 57 HB THR 8 HB THR 8 2.732 15.129 2.086 58 HG1 THR 8 HG1 THR 8 4.096 12.990 2.498 59 HG21 THR 8 1HG2 THR 8 1.263 14.512 3.978 60 HG22 THR 8 2HG2 THR 8 0.843 13.023 3.132 61 HG23 THR 8 3HG2 THR 8 0.398 14.583 2.443 62 H GLU 9 H GLU 9 2.961 15.370 -0.552 63 HA GLU 9 HA GLU 9 0.376 16.346 -1.091 64 HB2 GLU 9 1HB GLU 9 2.984 16.833 -2.521 65 HB3 GLU 9 2HB GLU 9 1.496 17.706 -2.853 66 HG2 GLU 9 1HG GLU 9 1.480 18.410 -0.458 67 HG3 GLU 9 2HG GLU 9 3.093 17.710 -0.315 68 H ASP 10 H ASP 10 2.598 14.374 -3.023 69 HA ASP 10 HA ASP 10 0.973 14.183 -5.318 70 HB2 ASP 10 1HB ASP 10 2.969 12.140 -4.323 71 HB3 ASP 10 2HB ASP 10 2.347 12.294 -5.964 72 H LEU 11 H LEU 11 1.200 12.269 -2.387 73 HA LEU 11 HA LEU 11 -0.445 10.150 -3.173 74 HB2 LEU 11 1HB LEU 11 1.003 9.948 -1.271 75 HB3 LEU 11 2HB LEU 11 0.154 11.248 -0.422 76 HG LEU 11 HG LEU 11 -1.867 9.790 -0.394 77 HD11 LEU 11 1HD1 LEU 11 -1.256 8.410 -2.329 78 HD12 LEU 11 2HD1 LEU 11 -1.647 7.445 -0.908 79 HD13 LEU 11 3HD1 LEU 11 0.039 7.680 -1.377 80 HD21 LEU 11 1HD2 LEU 11 0.564 8.532 0.868 81 HD22 LEU 11 2HD2 LEU 11 -1.107 8.404 1.417 82 HD23 LEU 11 3HD2 LEU 11 -0.269 9.952 1.502 83 H GLN 12 H GLN 12 -1.174 13.291 -1.795 84 HA GLN 12 HA GLN 12 -3.900 12.743 -1.188 85 HB2 GLN 12 1HB GLN 12 -2.408 15.332 -1.592 86 HB3 GLN 12 2HB GLN 12 -4.098 15.257 -1.119 87 HG2 GLN 12 1HG GLN 12 -3.512 14.132 0.934 88 HG3 GLN 12 2HG GLN 12 -1.822 14.058 0.439 89 HE21 GLN 12 1HE2 GLN 12 -0.576 15.892 0.502 90 HE22 GLN 12 2HE2 GLN 12 -1.051 17.318 1.357 91 H ARG 13 H ARG 13 -2.205 13.483 -4.062 92 HA ARG 13 HA ARG 13 -4.435 14.548 -5.511 93 HB2 ARG 13 1HB ARG 13 -1.955 14.937 -5.988 94 HB3 ARG 13 2HB ARG 13 -1.955 13.333 -6.708 95 HG2 ARG 13 1HG ARG 13 -2.256 14.795 -8.509 96 HG3 ARG 13 2HG ARG 13 -3.883 14.181 -8.153 97 HD2 ARG 13 1HD ARG 13 -3.945 16.578 -8.525 98 HD3 ARG 13 2HD ARG 13 -4.349 16.201 -6.851 99 HE ARG 13 HE ARG 13 -1.562 16.797 -7.272 100 HH11 ARG 13 1HH1 ARG 13 -4.713 18.153 -6.569 101 HH12 ARG 13 2HH1 ARG 13 -4.073 19.617 -5.902 102 HH21 ARG 13 1HH2 ARG 13 -0.720 18.713 -6.389 103 HH22 ARG 13 2HH2 ARG 13 -1.797 19.940 -5.800 104 H TYR 14 H TYR 14 -2.645 11.460 -5.569 105 HA TYR 14 HA TYR 14 -4.305 10.172 -7.444 106 HB2 TYR 14 1HB TYR 14 -2.691 8.857 -5.250 107 HB3 TYR 14 2HB TYR 14 -3.261 8.107 -6.734 108 HD1 TYR 14 HD1 TYR 14 -2.589 9.786 -8.863 109 HD2 TYR 14 HD2 TYR 14 -0.383 9.128 -5.285 110 HE1 TYR 14 HE1 TYR 14 -0.522 10.407 -10.031 111 HE2 TYR 14 HE2 TYR 14 1.693 9.761 -6.445 112 HH TYR 14 HH TYR 14 2.590 9.896 -8.678 113 H ARG 15 H ARG 15 -4.415 10.320 -3.933 114 HA ARG 15 HA ARG 15 -6.347 8.316 -3.577 115 HB2 ARG 15 1HB ARG 15 -5.482 8.615 -1.549 116 HB3 ARG 15 2HB ARG 15 -4.899 10.218 -1.953 117 HG2 ARG 15 1HG ARG 15 -7.038 11.178 -1.323 118 HG3 ARG 15 2HG ARG 15 -7.703 9.563 -1.050 119 HD2 ARG 15 1HD ARG 15 -5.940 9.200 0.676 120 HD3 ARG 15 2HD ARG 15 -5.459 10.884 0.480 121 HE ARG 15 HE ARG 15 -7.919 11.316 1.111 122 HH11 ARG 15 1HH1 ARG 15 -5.930 8.702 2.354 123 HH12 ARG 15 2HH1 ARG 15 -6.749 8.647 3.883 124 HH21 ARG 15 1HH2 ARG 15 -9.005 11.233 3.095 125 HH22 ARG 15 2HH2 ARG 15 -8.533 10.075 4.295 126 H THR 16 H THR 16 -6.569 11.737 -4.186 127 HA THR 16 HA THR 16 -9.288 12.130 -3.678 128 HB THR 16 HB THR 16 -7.312 13.479 -5.502 129 HG1 THR 16 HG1 THR 16 -6.906 14.148 -3.508 130 HG21 THR 16 1HG2 THR 16 -8.961 15.272 -5.856 131 HG22 THR 16 2HG2 THR 16 -10.187 14.291 -5.049 132 HG23 THR 16 3HG2 THR 16 -9.477 13.744 -6.571 133 H GLU 17 H GLU 17 -7.581 11.338 -6.700 134 HA GLU 17 HA GLU 17 -9.904 11.279 -8.306 135 HB2 GLU 17 1HB GLU 17 -7.525 9.633 -9.052 136 HB3 GLU 17 2HB GLU 17 -8.540 10.642 -10.055 137 HG2 GLU 17 1HG GLU 17 -7.529 12.641 -9.116 138 HG3 GLU 17 2HG GLU 17 -6.493 11.641 -8.092 139 H CYS 18 H CYS 18 -8.146 8.742 -6.560 140 HA CYS 18 HA CYS 18 -9.585 6.567 -7.632 141 HB2 CYS 18 1HB CYS 18 -8.099 6.835 -5.014 142 HB3 CYS 18 2HB CYS 18 -8.798 5.322 -5.609 143 H VAL 19 H VAL 19 -10.204 8.730 -4.940 144 HA VAL 19 HA VAL 19 -12.351 7.300 -3.824 145 HB VAL 19 HB VAL 19 -11.453 10.146 -3.668 146 HG11 VAL 19 1HG1 VAL 19 -14.035 9.119 -2.500 147 HG12 VAL 19 2HG1 VAL 19 -13.887 10.289 -3.815 148 HG13 VAL 19 3HG1 VAL 19 -13.310 10.699 -2.197 149 HG21 VAL 19 1HG2 VAL 19 -11.905 7.948 -1.654 150 HG22 VAL 19 2HG2 VAL 19 -11.351 9.577 -1.262 151 HG23 VAL 19 3HG2 VAL 19 -10.351 8.523 -2.263 152 H SER 20 H SER 20 -12.275 9.987 -6.122 153 HA SER 20 HA SER 20 -15.065 10.087 -6.510 154 HB2 SER 20 1HB SER 20 -13.450 11.922 -7.002 155 HB3 SER 20 2HB SER 20 -12.896 11.010 -8.404 156 HG SER 20 HG SER 20 -14.486 11.898 -9.435 157 H SER 21 H SER 21 -12.547 8.168 -8.060 158 HA SER 21 HA SER 21 -14.185 7.409 -10.294 159 HB2 SER 21 1HB SER 21 -11.611 6.226 -9.237 160 HB3 SER 21 2HB SER 21 -12.355 5.818 -10.783 161 HG SER 21 HG SER 21 -11.552 8.443 -10.033 162 H LEU 22 H LEU 22 -13.102 5.793 -7.303 163 HA LEU 22 HA LEU 22 -14.636 3.433 -7.954 164 HB2 LEU 22 1HB LEU 22 -12.969 4.188 -5.558 165 HB3 LEU 22 2HB LEU 22 -13.775 2.628 -5.739 166 HG LEU 22 HG LEU 22 -11.748 3.671 -7.709 167 HD11 LEU 22 1HD1 LEU 22 -11.361 1.817 -5.363 168 HD12 LEU 22 2HD1 LEU 22 -10.682 3.436 -5.537 169 HD13 LEU 22 3HD1 LEU 22 -10.163 2.141 -6.617 170 HD21 LEU 22 1HD2 LEU 22 -11.669 1.379 -8.451 171 HD22 LEU 22 2HD2 LEU 22 -13.335 1.960 -8.501 172 HD23 LEU 22 3HD2 LEU 22 -12.809 0.900 -7.191 173 H ASN 23 H ASN 23 -15.702 6.257 -7.110 174 HA ASN 23 HA ASN 23 -17.488 7.138 -6.005 175 HB2 ASN 23 1HB ASN 23 -18.464 4.285 -6.177 176 HB3 ASN 23 2HB ASN 23 -19.462 5.676 -5.802 177 HD21 ASN 23 1HD2 ASN 23 -19.657 3.776 -7.988 178 HD22 ASN 23 2HD2 ASN 23 -19.579 4.711 -9.446 179 H ILE 24 H ILE 24 -15.307 6.328 -4.340 180 HA ILE 24 HA ILE 24 -16.127 4.897 -2.063 181 HB ILE 24 HB ILE 24 -14.020 7.059 -2.157 182 HG12 ILE 24 1HG1 ILE 24 -13.662 5.392 -3.963 183 HG13 ILE 24 2HG1 ILE 24 -12.410 5.313 -2.726 184 HG21 ILE 24 1HG2 ILE 24 -14.381 4.659 -0.364 185 HG22 ILE 24 2HG2 ILE 24 -14.608 6.352 0.083 186 HG23 ILE 24 3HG2 ILE 24 -13.000 5.759 -0.334 187 HD11 ILE 24 1HD1 ILE 24 -14.750 3.439 -3.011 188 HD12 ILE 24 2HD1 ILE 24 -13.510 3.352 -1.759 189 HD13 ILE 24 3HD1 ILE 24 -13.074 3.099 -3.450 190 HA PRO 25 HA PRO 25 -18.991 7.933 -0.400 191 HB2 PRO 25 1HB PRO 25 -18.750 6.208 1.982 192 HB3 PRO 25 2HB PRO 25 -20.186 6.692 1.077 193 HG2 PRO 25 1HG PRO 25 -19.208 4.212 0.934 194 HG3 PRO 25 2HG PRO 25 -19.953 5.013 -0.461 195 HD2 PRO 25 1HD PRO 25 -17.060 4.543 0.137 196 HD3 PRO 25 2HD PRO 25 -17.920 4.506 -1.423 197 H ALA 26 H ALA 26 -18.851 9.629 0.924 198 HA ALA 26 HA ALA 26 -16.379 10.684 1.596 199 HB1 ALA 26 1HB ALA 26 -19.056 11.395 2.780 200 HB2 ALA 26 2HB ALA 26 -18.415 11.998 1.252 201 HB3 ALA 26 3HB ALA 26 -17.616 12.414 2.770 202 H ASP 27 H ASP 27 -18.646 8.885 3.608 203 HA ASP 27 HA ASP 27 -17.529 9.261 6.111 204 HB2 ASP 27 1HB ASP 27 -19.602 8.079 5.848 205 HB3 ASP 27 2HB ASP 27 -18.811 6.787 4.950 206 H TYR 28 H TYR 28 -16.694 6.764 3.710 207 HA TYR 28 HA TYR 28 -14.632 5.590 5.182 208 HB2 TYR 28 1HB TYR 28 -15.270 5.692 2.252 209 HB3 TYR 28 2HB TYR 28 -13.828 4.861 2.834 210 HD1 TYR 28 HD1 TYR 28 -17.511 4.925 2.943 211 HD2 TYR 28 HD2 TYR 28 -14.004 2.706 3.874 212 HE1 TYR 28 HE1 TYR 28 -18.887 2.946 3.387 213 HE2 TYR 28 HE2 TYR 28 -15.377 0.717 4.325 214 HH TYR 28 HH TYR 28 -17.667 0.157 4.924 215 H VAL 29 H VAL 29 -14.649 8.300 2.923 216 HA VAL 29 HA VAL 29 -11.914 8.651 2.576 217 HB VAL 29 HB VAL 29 -14.042 10.781 2.690 218 HG11 VAL 29 1HG1 VAL 29 -11.267 10.804 1.519 219 HG12 VAL 29 2HG1 VAL 29 -11.839 11.761 2.884 220 HG13 VAL 29 3HG1 VAL 29 -12.476 12.062 1.267 221 HG21 VAL 29 1HG2 VAL 29 -12.945 9.159 0.404 222 HG22 VAL 29 2HG2 VAL 29 -14.038 10.535 0.236 223 HG23 VAL 29 3HG2 VAL 29 -14.575 9.077 1.073 224 H GLU 30 H GLU 30 -14.051 10.013 5.087 225 HA GLU 30 HA GLU 30 -12.085 11.495 6.458 226 HB2 GLU 30 1HB GLU 30 -14.365 10.170 7.896 227 HB3 GLU 30 2HB GLU 30 -13.623 11.738 8.180 228 HG2 GLU 30 1HG GLU 30 -14.556 12.515 6.033 229 HG3 GLU 30 2HG GLU 30 -15.420 10.987 5.902 230 H LYS 31 H LYS 31 -13.117 8.145 6.746 231 HA LYS 31 HA LYS 31 -11.595 7.619 9.090 232 HB2 LYS 31 1HB LYS 31 -12.953 5.871 9.172 233 HB3 LYS 31 2HB LYS 31 -13.636 6.368 7.644 234 HG2 LYS 31 1HG LYS 31 -12.022 4.951 6.464 235 HG3 LYS 31 2HG LYS 31 -11.361 4.423 8.018 236 HD2 LYS 31 1HD LYS 31 -14.210 4.054 7.069 237 HD3 LYS 31 2HD LYS 31 -12.968 2.791 7.132 238 HE2 LYS 31 1HE LYS 31 -12.889 2.931 9.544 239 HE3 LYS 31 2HE LYS 31 -13.957 4.332 9.541 240 HZ1 LYS 31 1HZ LYS 31 -15.734 2.962 8.698 241 HZ2 LYS 31 2HZ LYS 31 -15.119 2.289 10.121 242 HZ3 LYS 31 3HZ LYS 31 -14.716 1.612 8.628 243 H PHE 32 H PHE 32 -10.883 7.451 5.661 244 HA PHE 32 HA PHE 32 -8.481 5.921 6.023 245 HB2 PHE 32 1HB PHE 32 -9.342 7.583 3.649 246 HB3 PHE 32 2HB PHE 32 -7.997 6.452 3.681 247 HD1 PHE 32 HD1 PHE 32 -10.483 6.546 1.842 248 HD2 PHE 32 HD2 PHE 32 -9.506 4.313 5.330 249 HE1 PHE 32 HE1 PHE 32 -11.975 4.739 1.101 250 HE2 PHE 32 HE2 PHE 32 -10.998 2.506 4.595 251 HZ PHE 32 HZ PHE 32 -12.233 2.715 2.477 252 H LYS 33 H LYS 33 -9.384 9.203 6.357 253 HA LYS 33 HA LYS 33 -6.741 10.301 5.958 254 HB2 LYS 33 1HB LYS 33 -9.106 11.461 5.769 255 HB3 LYS 33 2HB LYS 33 -8.888 11.705 7.499 256 HG2 LYS 33 1HG LYS 33 -6.742 12.822 7.059 257 HG3 LYS 33 2HG LYS 33 -7.035 12.653 5.323 258 HD2 LYS 33 1HD LYS 33 -8.770 14.169 7.278 259 HD3 LYS 33 2HD LYS 33 -7.642 14.888 6.131 260 HE2 LYS 33 1HE LYS 33 -8.931 13.977 4.275 261 HE3 LYS 33 2HE LYS 33 -10.043 13.211 5.409 262 HZ1 LYS 33 1HZ LYS 33 -10.936 15.276 4.544 263 HZ2 LYS 33 2HZ LYS 33 -9.604 16.134 5.133 264 HZ3 LYS 33 3HZ LYS 33 -10.676 15.393 6.211 265 H LYS 34 H LYS 34 -8.319 8.579 8.362 266 HA LYS 34 HA LYS 34 -6.565 9.611 10.468 267 HB2 LYS 34 1HB LYS 34 -9.142 8.054 10.542 268 HB3 LYS 34 2HB LYS 34 -8.100 8.167 11.954 269 HG2 LYS 34 1HG LYS 34 -9.263 10.525 10.489 270 HG3 LYS 34 2HG LYS 34 -9.965 9.792 11.931 271 HD2 LYS 34 1HD LYS 34 -7.209 11.010 11.754 272 HD3 LYS 34 2HD LYS 34 -8.625 11.788 12.457 273 HE2 LYS 34 1HE LYS 34 -7.303 9.254 13.423 274 HE3 LYS 34 2HE LYS 34 -7.236 10.833 14.203 275 HZ1 LYS 34 1HZ LYS 34 -9.634 10.718 14.530 276 HZ2 LYS 34 2HZ LYS 34 -8.853 9.416 15.268 277 HZ3 LYS 34 3HZ LYS 34 -9.677 9.187 13.811 278 H TRP 35 H TRP 35 -5.949 7.771 8.207 279 HA TRP 35 HA TRP 35 -4.943 5.807 7.705 280 HB2 TRP 35 1HB TRP 35 -3.808 6.393 10.433 281 HB3 TRP 35 2HB TRP 35 -3.200 5.096 9.396 282 HD1 TRP 35 HD1 TRP 35 -3.362 8.918 9.640 283 HE1 TRP 35 HE1 TRP 35 -1.566 9.921 8.089 284 HE3 TRP 35 HE3 TRP 35 -1.852 4.637 7.272 285 HZ2 TRP 35 HZ2 TRP 35 0.242 9.014 6.128 286 HZ3 TRP 35 HZ3 TRP 35 -0.087 4.798 5.573 287 HH2 TRP 35 HH2 TRP 35 0.944 6.932 5.010 288 H GLU 36 H GLU 36 -7.504 5.280 8.448 289 HA GLU 36 HA GLU 36 -7.188 2.745 9.903 290 HB2 GLU 36 1HB GLU 36 -8.606 4.361 11.120 291 HB3 GLU 36 2HB GLU 36 -9.670 4.453 9.725 292 HG2 GLU 36 1HG GLU 36 -10.309 2.179 9.981 293 HG3 GLU 36 2HG GLU 36 -9.108 1.926 11.241 294 H PHE 37 H PHE 37 -7.286 1.090 8.587 295 HA PHE 37 HA PHE 37 -8.990 1.303 6.194 296 HB2 PHE 37 1HB PHE 37 -6.360 -0.195 6.318 297 HB3 PHE 37 2HB PHE 37 -7.334 0.123 4.888 298 HD1 PHE 37 HD1 PHE 37 -7.276 2.291 3.795 299 HD2 PHE 37 HD2 PHE 37 -5.003 1.552 7.325 300 HE1 PHE 37 HE1 PHE 37 -5.987 4.349 3.400 301 HE2 PHE 37 HE2 PHE 37 -3.716 3.606 6.931 302 HZ PHE 37 HZ PHE 37 -4.204 5.008 4.971 303 HA PRO 38 HA PRO 38 -10.458 -2.299 8.713 304 HB2 PRO 38 1HB PRO 38 -12.957 -1.530 7.333 305 HB3 PRO 38 2HB PRO 38 -12.659 -1.840 9.053 306 HG2 PRO 38 1HG PRO 38 -13.060 0.641 8.187 307 HG3 PRO 38 2HG PRO 38 -11.843 0.296 9.431 308 HD2 PRO 38 1HD PRO 38 -11.436 0.760 6.482 309 HD3 PRO 38 2HD PRO 38 -10.518 1.423 7.872 310 H GLU 39 H GLU 39 -11.143 -4.314 8.061 311 HA GLU 39 HA GLU 39 -10.473 -5.115 5.428 312 HB2 GLU 39 1HB GLU 39 -10.187 -6.583 7.377 313 HB3 GLU 39 2HB GLU 39 -11.931 -6.649 7.586 314 HG2 GLU 39 1HG GLU 39 -12.190 -7.801 5.497 315 HG3 GLU 39 2HG GLU 39 -10.476 -7.607 5.132 316 H ASP 40 H ASP 40 -11.737 -3.997 4.024 317 HA ASP 40 HA ASP 40 -14.440 -4.996 3.642 318 HB2 ASP 40 1HB ASP 40 -14.752 -2.995 5.086 319 HB3 ASP 40 2HB ASP 40 -13.900 -2.018 3.891 320 H ASP 41 H ASP 41 -15.112 -4.855 1.531 321 HA ASP 41 HA ASP 41 -13.030 -5.029 -0.362 322 HB2 ASP 41 1HB ASP 41 -14.733 -5.474 -2.007 323 HB3 ASP 41 2HB ASP 41 -15.169 -6.305 -0.520 324 H THR 42 H THR 42 -15.083 -2.377 0.590 325 HA THR 42 HA THR 42 -14.700 -0.758 -1.720 326 HB THR 42 HB THR 42 -15.127 0.307 1.058 327 HG1 THR 42 HG1 THR 42 -16.671 -1.235 0.992 328 HG21 THR 42 1HG2 THR 42 -14.862 1.972 -0.669 329 HG22 THR 42 2HG2 THR 42 -16.552 1.933 -0.163 330 HG23 THR 42 3HG2 THR 42 -16.065 1.165 -1.675 331 H THR 43 H THR 43 -13.163 -0.917 1.455 332 HA THR 43 HA THR 43 -11.200 1.050 1.087 333 HB THR 43 HB THR 43 -10.947 -1.443 2.776 334 HG1 THR 43 HG1 THR 43 -11.864 0.158 4.402 335 HG21 THR 43 1HG2 THR 43 -8.908 -0.118 2.641 336 HG22 THR 43 2HG2 THR 43 -9.624 0.032 4.248 337 HG23 THR 43 3HG2 THR 43 -9.805 1.337 3.076 338 H MET 44 H MET 44 -11.318 -2.347 0.233 339 HA MET 44 HA MET 44 -8.547 -2.703 -0.139 340 HB2 MET 44 1HB MET 44 -10.875 -4.267 -1.241 341 HB3 MET 44 2HB MET 44 -9.196 -4.783 -1.335 342 HG2 MET 44 1HG MET 44 -9.094 -4.781 1.124 343 HG3 MET 44 2HG MET 44 -10.796 -4.338 1.172 344 HE1 MET 44 1HE MET 44 -11.282 -6.371 2.757 345 HE2 MET 44 2HE MET 44 -9.573 -6.812 2.712 346 HE3 MET 44 3HE MET 44 -10.808 -8.035 2.402 347 H CYS 45 H CYS 45 -11.167 -2.183 -2.506 348 HA CYS 45 HA CYS 45 -9.424 -2.135 -4.732 349 HB2 CYS 45 1HB CYS 45 -12.199 -0.967 -4.427 350 HB3 CYS 45 2HB CYS 45 -11.328 -1.088 -5.950 351 H TYR 46 H TYR 46 -10.481 0.326 -2.475 352 HA TYR 46 HA TYR 46 -9.609 2.591 -3.853 353 HB2 TYR 46 1HB TYR 46 -10.901 2.994 -1.946 354 HB3 TYR 46 2HB TYR 46 -9.924 1.928 -0.936 355 HD1 TYR 46 HD1 TYR 46 -8.464 2.909 0.562 356 HD2 TYR 46 HD2 TYR 46 -9.574 5.090 -2.927 357 HE1 TYR 46 HE1 TYR 46 -7.193 4.849 1.375 358 HE2 TYR 46 HE2 TYR 46 -8.301 7.032 -2.118 359 HH TYR 46 HH TYR 46 -6.152 6.860 0.557 360 H ILE 47 H ILE 47 -7.895 0.531 -1.527 361 HA ILE 47 HA ILE 47 -5.427 1.838 -1.640 362 HB ILE 47 HB ILE 47 -6.089 -1.030 -1.005 363 HG12 ILE 47 1HG1 ILE 47 -7.046 0.569 0.560 364 HG13 ILE 47 2HG1 ILE 47 -5.722 -0.288 1.342 365 HG21 ILE 47 1HG2 ILE 47 -3.785 -0.950 -1.731 366 HG22 ILE 47 2HG2 ILE 47 -3.844 -1.169 0.020 367 HG23 ILE 47 3HG2 ILE 47 -3.464 0.413 -0.658 368 HD11 ILE 47 1HD1 ILE 47 -4.267 1.682 0.858 369 HD12 ILE 47 2HD1 ILE 47 -5.607 2.010 1.956 370 HD13 ILE 47 3HD1 ILE 47 -5.702 2.526 0.273 371 H LYS 48 H LYS 48 -6.810 -0.698 -3.648 372 HA LYS 48 HA LYS 48 -4.510 -1.417 -5.058 373 HB2 LYS 48 1HB LYS 48 -6.743 -2.601 -5.062 374 HB3 LYS 48 2HB LYS 48 -7.324 -1.366 -6.164 375 HG2 LYS 48 1HG LYS 48 -4.943 -3.105 -6.758 376 HG3 LYS 48 2HG LYS 48 -6.591 -3.542 -7.206 377 HD2 LYS 48 1HD LYS 48 -6.767 -1.518 -8.563 378 HD3 LYS 48 2HD LYS 48 -5.135 -1.046 -8.086 379 HE2 LYS 48 1HE LYS 48 -4.910 -2.012 -10.215 380 HE3 LYS 48 2HE LYS 48 -4.364 -3.244 -9.082 381 HZ1 LYS 48 1HZ LYS 48 -5.736 -4.333 -10.624 382 HZ2 LYS 48 2HZ LYS 48 -6.928 -3.134 -10.552 383 HZ3 LYS 48 3HZ LYS 48 -6.690 -4.160 -9.233 384 H CYS 49 H CYS 49 -7.089 0.878 -5.963 385 HA CYS 49 HA CYS 49 -5.995 1.805 -8.325 386 HB2 CYS 49 1HB CYS 49 -8.228 2.373 -7.809 387 HB3 CYS 49 2HB CYS 49 -7.776 3.186 -6.312 388 H VAL 50 H VAL 50 -5.506 3.071 -5.037 389 HA VAL 50 HA VAL 50 -3.950 5.280 -5.743 390 HB VAL 50 HB VAL 50 -4.056 3.702 -3.174 391 HG11 VAL 50 1HG1 VAL 50 -2.833 6.406 -3.709 392 HG12 VAL 50 2HG1 VAL 50 -1.970 4.932 -3.266 393 HG13 VAL 50 3HG1 VAL 50 -3.074 5.689 -2.116 394 HG21 VAL 50 1HG2 VAL 50 -6.168 4.653 -3.669 395 HG22 VAL 50 2HG2 VAL 50 -5.435 6.183 -4.139 396 HG23 VAL 50 3HG2 VAL 50 -5.413 5.679 -2.449 397 H PHE 51 H PHE 51 -3.045 2.029 -4.692 398 HA PHE 51 HA PHE 51 -0.271 2.446 -4.693 399 HB2 PHE 51 1HB PHE 51 -2.096 0.111 -4.538 400 HB3 PHE 51 2HB PHE 51 -0.422 -0.214 -4.983 401 HD1 PHE 51 HD1 PHE 51 -1.515 2.481 -2.708 402 HD2 PHE 51 HD2 PHE 51 0.191 -1.408 -3.027 403 HE1 PHE 51 HE1 PHE 51 -0.913 2.552 -0.324 404 HE2 PHE 51 HE2 PHE 51 0.796 -1.340 -0.644 405 HZ PHE 51 HZ PHE 51 0.247 0.642 0.709 406 H ASN 52 H ASN 52 -2.535 1.770 -7.187 407 HA ASN 52 HA ASN 52 -0.621 0.720 -9.065 408 HB2 ASN 52 1HB ASN 52 -3.011 0.072 -9.125 409 HB3 ASN 52 2HB ASN 52 -3.441 1.739 -9.526 410 HD21 ASN 52 1HD2 ASN 52 -0.653 -0.032 -10.761 411 HD22 ASN 52 2HD2 ASN 52 -1.178 -0.059 -12.407 412 H LYS 53 H LYS 53 -2.226 3.804 -8.462 413 HA LYS 53 HA LYS 53 -1.103 5.081 -10.764 414 HB2 LYS 53 1HB LYS 53 -2.689 5.995 -8.401 415 HB3 LYS 53 2HB LYS 53 -1.926 7.186 -9.445 416 HG2 LYS 53 1HG LYS 53 -3.148 6.176 -11.368 417 HG3 LYS 53 2HG LYS 53 -3.981 5.123 -10.220 418 HD2 LYS 53 1HD LYS 53 -4.969 7.023 -9.123 419 HD3 LYS 53 2HD LYS 53 -4.019 8.136 -10.111 420 HE2 LYS 53 1HE LYS 53 -5.151 7.272 -12.120 421 HE3 LYS 53 2HE LYS 53 -6.136 6.230 -11.098 422 HZ1 LYS 53 1HZ LYS 53 -7.154 8.106 -10.111 423 HZ2 LYS 53 2HZ LYS 53 -7.208 8.353 -11.781 424 HZ3 LYS 53 3HZ LYS 53 -6.070 9.185 -10.837 425 H MET 54 H MET 54 -0.054 4.490 -7.559 426 HA MET 54 HA MET 54 1.987 6.542 -7.633 427 HB2 MET 54 1HB MET 54 1.249 4.414 -5.642 428 HB3 MET 54 2HB MET 54 2.695 5.405 -5.458 429 HG2 MET 54 1HG MET 54 1.413 7.375 -5.258 430 HG3 MET 54 2HG MET 54 -0.057 6.554 -5.777 431 HE1 MET 54 1HE MET 54 2.762 5.678 -3.028 432 HE2 MET 54 2HE MET 54 1.899 6.317 -1.626 433 HE3 MET 54 3HE MET 54 2.365 7.392 -2.945 434 H GLN 55 H GLN 55 1.694 3.834 -9.285 435 HA GLN 55 HA GLN 55 3.029 2.306 -10.251 436 HB2 GLN 55 1HB GLN 55 4.842 4.603 -9.770 437 HB3 GLN 55 2HB GLN 55 5.580 3.086 -10.280 438 HG2 GLN 55 1HG GLN 55 5.165 4.511 -12.182 439 HG3 GLN 55 2HG GLN 55 4.138 3.086 -12.263 440 HE21 GLN 55 1HE2 GLN 55 4.227 6.526 -11.723 441 HE22 GLN 55 2HE2 GLN 55 2.526 6.795 -11.899 442 H LEU 56 H LEU 56 2.399 1.641 -7.709 443 HA LEU 56 HA LEU 56 4.902 0.647 -6.577 444 HB2 LEU 56 1HB LEU 56 2.651 2.099 -5.370 445 HB3 LEU 56 2HB LEU 56 3.214 0.719 -4.415 446 HG LEU 56 HG LEU 56 4.847 3.081 -5.349 447 HD11 LEU 56 1HD1 LEU 56 3.979 2.286 -2.579 448 HD12 LEU 56 2HD1 LEU 56 3.275 3.587 -3.528 449 HD13 LEU 56 3HD1 LEU 56 4.955 3.687 -3.010 450 HD21 LEU 56 1HD2 LEU 56 6.551 2.089 -3.772 451 HD22 LEU 56 2HD2 LEU 56 6.328 1.249 -5.305 452 HD23 LEU 56 3HD2 LEU 56 5.601 0.604 -3.832 453 H PHE 57 H PHE 57 1.825 -0.119 -7.776 454 HA PHE 57 HA PHE 57 2.252 -2.936 -7.181 455 HB2 PHE 57 1HB PHE 57 0.756 -2.279 -5.385 456 HB3 PHE 57 2HB PHE 57 -0.308 -1.452 -6.514 457 HD1 PHE 57 HD1 PHE 57 0.892 -4.756 -5.399 458 HD2 PHE 57 HD2 PHE 57 -1.986 -2.630 -7.708 459 HE1 PHE 57 HE1 PHE 57 -0.440 -6.812 -5.633 460 HE2 PHE 57 HE2 PHE 57 -3.317 -4.683 -7.944 461 HZ PHE 57 HZ PHE 57 -2.545 -6.772 -6.905 462 H ASP 58 H ASP 58 1.630 -4.248 -8.793 463 HA ASP 58 HA ASP 58 0.211 -3.073 -11.091 464 HB2 ASP 58 1HB ASP 58 2.596 -3.187 -11.617 465 HB3 ASP 58 2HB ASP 58 2.649 -4.875 -11.123 466 H ASP 59 H ASP 59 -1.129 -4.506 -12.242 467 HA ASP 59 HA ASP 59 -2.409 -6.462 -10.623 468 HB2 ASP 59 1HB ASP 59 -2.736 -5.670 -13.499 469 HB3 ASP 59 2HB ASP 59 -3.608 -7.027 -12.827 470 H THR 60 H THR 60 0.132 -6.651 -12.950 471 HA THR 60 HA THR 60 -0.167 -9.534 -13.190 472 HB THR 60 HB THR 60 1.638 -7.549 -14.554 473 HG1 THR 60 HG1 THR 60 -0.759 -8.080 -15.063 474 HG21 THR 60 1HG2 THR 60 1.547 -10.541 -14.945 475 HG22 THR 60 2HG2 THR 60 2.876 -9.629 -14.227 476 HG23 THR 60 3HG2 THR 60 2.462 -9.398 -15.925 477 H GLU 61 H GLU 61 2.571 -7.329 -12.536 478 HA GLU 61 HA GLU 61 4.154 -9.452 -11.469 479 HB2 GLU 61 1HB GLU 61 4.746 -6.533 -11.123 480 HB3 GLU 61 2HB GLU 61 5.864 -7.880 -11.259 481 HG2 GLU 61 1HG GLU 61 5.181 -8.190 -13.591 482 HG3 GLU 61 2HG GLU 61 4.135 -6.784 -13.450 483 H GLY 62 H GLY 62 1.766 -7.461 -10.078 484 HA2 GLY 62 1HA GLY 62 0.992 -7.469 -7.884 485 HA3 GLY 62 2HA GLY 62 2.364 -8.497 -7.447 486 HA PRO 63 HA PRO 63 3.281 -4.466 -5.390 487 HB2 PRO 63 1HB PRO 63 4.989 -6.345 -3.857 488 HB3 PRO 63 2HB PRO 63 3.866 -5.107 -3.275 489 HG2 PRO 63 1HG PRO 63 3.290 -7.729 -3.119 490 HG3 PRO 63 2HG PRO 63 2.043 -6.504 -3.409 491 HD2 PRO 63 1HD PRO 63 3.318 -8.411 -5.325 492 HD3 PRO 63 2HD PRO 63 1.646 -7.799 -5.282 493 H LEU 64 H LEU 64 4.737 -3.285 -6.442 494 HA LEU 64 HA LEU 64 6.947 -4.522 -7.828 495 HB2 LEU 64 1HB LEU 64 6.354 -1.574 -7.539 496 HB3 LEU 64 2HB LEU 64 7.388 -2.339 -8.729 497 HG LEU 64 HG LEU 64 4.404 -2.734 -8.567 498 HD11 LEU 64 1HD1 LEU 64 4.312 -1.397 -10.606 499 HD12 LEU 64 2HD1 LEU 64 6.045 -1.096 -10.493 500 HD13 LEU 64 3HD1 LEU 64 4.957 -0.463 -9.258 501 HD21 LEU 64 1HD2 LEU 64 4.670 -3.844 -10.707 502 HD22 LEU 64 2HD2 LEU 64 5.622 -4.650 -9.455 503 HD23 LEU 64 3HD2 LEU 64 6.416 -3.601 -10.630 504 H VAL 65 H VAL 65 8.232 -5.334 -6.277 505 HA VAL 65 HA VAL 65 8.932 -4.327 -3.839 506 HB VAL 65 HB VAL 65 10.585 -6.030 -5.687 507 HG11 VAL 65 1HG1 VAL 65 10.948 -5.521 -2.735 508 HG12 VAL 65 2HG1 VAL 65 12.034 -5.003 -4.027 509 HG13 VAL 65 3HG1 VAL 65 11.826 -6.721 -3.683 510 HG21 VAL 65 1HG2 VAL 65 9.754 -7.854 -4.233 511 HG22 VAL 65 2HG2 VAL 65 8.476 -7.033 -5.124 512 HG23 VAL 65 3HG2 VAL 65 8.722 -6.680 -3.415 513 H ASP 66 H ASP 66 10.597 -3.740 -6.913 514 HA ASP 66 HA ASP 66 12.824 -2.407 -5.898 515 HB2 ASP 66 1HB ASP 66 12.690 -3.210 -8.189 516 HB3 ASP 66 2HB ASP 66 11.441 -2.025 -8.554 517 H ASN 67 H ASN 67 9.826 -0.982 -7.224 518 HA ASN 67 HA ASN 67 10.508 1.673 -6.546 519 HB2 ASN 67 1HB ASN 67 7.832 0.396 -7.090 520 HB3 ASN 67 2HB ASN 67 8.060 2.124 -6.858 521 HD21 ASN 67 1HD2 ASN 67 7.044 0.795 -9.183 522 HD22 ASN 67 2HD2 ASN 67 8.117 1.159 -10.492 523 H LEU 68 H LEU 68 8.960 -0.922 -4.839 524 HA LEU 68 HA LEU 68 7.826 0.524 -2.720 525 HB2 LEU 68 1HB LEU 68 8.648 -2.320 -3.120 526 HB3 LEU 68 2HB LEU 68 8.189 -1.772 -1.515 527 HG LEU 68 HG LEU 68 6.402 -1.374 -3.900 528 HD11 LEU 68 1HD1 LEU 68 5.218 -3.394 -3.256 529 HD12 LEU 68 2HD1 LEU 68 6.395 -3.697 -1.977 530 HD13 LEU 68 3HD1 LEU 68 6.890 -3.771 -3.667 531 HD21 LEU 68 1HD2 LEU 68 4.677 -1.203 -2.191 532 HD22 LEU 68 2HD2 LEU 68 5.957 -0.021 -1.920 533 HD23 LEU 68 3HD2 LEU 68 5.885 -1.482 -0.936 534 H VAL 69 H VAL 69 11.022 -0.914 -3.132 535 HA VAL 69 HA VAL 69 11.968 -0.204 -0.540 536 HB VAL 69 HB VAL 69 13.504 -0.835 -3.052 537 HG11 VAL 69 1HG1 VAL 69 14.922 0.337 -1.525 538 HG12 VAL 69 2HG1 VAL 69 15.334 -1.376 -1.450 539 HG13 VAL 69 3HG1 VAL 69 14.355 -0.645 -0.176 540 HG21 VAL 69 1HG2 VAL 69 11.998 -2.630 -2.291 541 HG22 VAL 69 2HG2 VAL 69 12.804 -2.603 -0.719 542 HG23 VAL 69 3HG2 VAL 69 13.701 -3.067 -2.166 543 H HIS 70 H HIS 70 12.212 1.276 -3.753 544 HA HIS 70 HA HIS 70 13.895 3.414 -2.972 545 HB2 HIS 70 1HB HIS 70 12.051 2.976 -5.297 546 HB3 HIS 70 2HB HIS 70 12.822 4.539 -5.057 547 HD1 HIS 70 HD1 HIS 70 15.100 4.794 -6.007 548 HD2 HIS 70 HD2 HIS 70 14.039 0.800 -5.585 549 HE1 HIS 70 HE1 HIS 70 16.951 3.486 -7.088 550 HE2 HIS 70 HE2 HIS 70 16.226 1.082 -6.932 551 H GLN 71 H GLN 71 10.551 2.842 -2.565 552 HA GLN 71 HA GLN 71 9.900 5.618 -1.986 553 HB2 GLN 71 1HB GLN 71 8.332 4.054 -3.174 554 HB3 GLN 71 2HB GLN 71 8.191 3.145 -1.674 555 HG2 GLN 71 1HG GLN 71 6.303 4.544 -1.790 556 HG3 GLN 71 2HG GLN 71 7.385 5.234 -0.580 557 HE21 GLN 71 1HE2 GLN 71 6.490 7.271 -0.759 558 HE22 GLN 71 2HE2 GLN 71 6.741 8.274 -2.138 559 H LEU 72 H LEU 72 9.610 2.532 -0.240 560 HA LEU 72 HA LEU 72 8.972 3.737 2.216 561 HB2 LEU 72 1HB LEU 72 9.875 0.948 1.547 562 HB3 LEU 72 2HB LEU 72 9.411 1.443 3.163 563 HG LEU 72 HG LEU 72 7.606 1.572 0.746 564 HD11 LEU 72 1HD1 LEU 72 8.108 -0.739 1.324 565 HD12 LEU 72 2HD1 LEU 72 6.452 -0.340 1.785 566 HD13 LEU 72 3HD1 LEU 72 7.716 -0.421 3.015 567 HD21 LEU 72 1HD2 LEU 72 6.942 3.212 2.350 568 HD22 LEU 72 2HD2 LEU 72 7.134 2.065 3.679 569 HD23 LEU 72 3HD2 LEU 72 5.842 1.838 2.498 570 H ALA 73 H ALA 73 12.021 2.418 0.979 571 HA ALA 73 HA ALA 73 13.466 2.805 3.396 572 HB1 ALA 73 1HB ALA 73 14.077 1.172 1.648 573 HB2 ALA 73 2HB ALA 73 15.413 2.216 2.142 574 HB3 ALA 73 3HB ALA 73 14.572 2.514 0.619 575 H HIS 74 H HIS 74 12.074 5.151 2.679 576 HA HIS 74 HA HIS 74 13.661 7.137 1.455 577 HB2 HIS 74 1HB HIS 74 11.128 7.103 2.040 578 HB3 HIS 74 2HB HIS 74 11.648 7.681 3.616 579 HD1 HIS 74 HD1 HIS 74 10.045 9.102 1.061 580 HD2 HIS 74 HD2 HIS 74 13.749 9.988 2.719 581 HE1 HIS 74 HE1 HIS 74 10.523 11.479 0.410 582 HE2 HIS 74 HE2 HIS 74 12.865 11.917 1.227 583 H GLY 75 H GLY 75 15.755 6.773 2.403 584 HA2 GLY 75 1HA GLY 75 17.396 7.765 3.734 585 HA3 GLY 75 2HA GLY 75 16.139 8.354 4.812 586 H ARG 76 H ARG 76 16.553 5.020 3.737 587 HA ARG 76 HA ARG 76 17.662 4.240 6.301 588 HB2 ARG 76 1HB ARG 76 14.870 3.682 5.477 589 HB3 ARG 76 2HB ARG 76 15.735 2.376 6.279 590 HG2 ARG 76 1HG ARG 76 16.264 4.076 8.094 591 HG3 ARG 76 2HG ARG 76 15.046 5.101 7.333 592 HD2 ARG 76 1HD ARG 76 13.455 3.172 7.549 593 HD3 ARG 76 2HD ARG 76 14.670 2.375 8.541 594 HE ARG 76 HE ARG 76 14.153 4.965 9.538 595 HH11 ARG 76 1HH1 ARG 76 12.728 1.775 9.345 596 HH12 ARG 76 2HH1 ARG 76 11.740 1.993 10.755 597 HH21 ARG 76 1HH2 ARG 76 12.860 5.251 11.405 598 HH22 ARG 76 2HH2 ARG 76 11.808 3.972 11.921 599 H ASP 77 H ASP 77 18.036 1.802 6.347 600 HA ASP 77 HA ASP 77 19.572 0.991 4.164 601 HB2 ASP 77 1HB ASP 77 18.347 -0.701 6.350 602 HB3 ASP 77 2HB ASP 77 19.611 -1.234 5.249 603 H ALA 78 H ALA 78 18.712 0.814 2.236 604 HA ALA 78 HA ALA 78 16.116 0.061 1.567 605 HB1 ALA 78 1HB ALA 78 17.623 1.287 0.094 606 HB2 ALA 78 2HB ALA 78 16.967 -0.142 -0.701 607 HB3 ALA 78 3HB ALA 78 18.619 -0.156 -0.088 608 H GLU 79 H GLU 79 19.045 -1.857 1.896 609 HA GLU 79 HA GLU 79 18.120 -4.246 0.759 610 HB2 GLU 79 1HB GLU 79 20.197 -3.714 2.870 611 HB3 GLU 79 2HB GLU 79 19.900 -5.316 2.202 612 HG2 GLU 79 1HG GLU 79 20.450 -4.508 -0.019 613 HG3 GLU 79 2HG GLU 79 20.714 -2.888 0.619 614 H GLU 80 H GLU 80 17.906 -3.033 4.067 615 HA GLU 80 HA GLU 80 16.723 -5.384 5.148 616 HB2 GLU 80 1HB GLU 80 17.909 -3.681 6.497 617 HB3 GLU 80 2HB GLU 80 16.622 -2.536 6.154 618 HG2 GLU 80 1HG GLU 80 16.269 -3.424 8.331 619 HG3 GLU 80 2HG GLU 80 15.037 -4.090 7.271 620 H VAL 81 H VAL 81 15.493 -2.296 3.964 621 HA VAL 81 HA VAL 81 12.781 -2.622 4.481 622 HB VAL 81 HB VAL 81 14.161 -1.141 2.250 623 HG11 VAL 81 1HG1 VAL 81 12.072 0.165 2.072 624 HG12 VAL 81 2HG1 VAL 81 11.295 -0.977 3.173 625 HG13 VAL 81 3HG1 VAL 81 11.862 -1.520 1.593 626 HG21 VAL 81 1HG2 VAL 81 13.679 0.800 3.709 627 HG22 VAL 81 2HG2 VAL 81 14.808 -0.360 4.396 628 HG23 VAL 81 3HG2 VAL 81 13.132 -0.327 4.948 629 H ARG 82 H ARG 82 14.625 -3.503 1.562 630 HA ARG 82 HA ARG 82 12.619 -4.550 -0.010 631 HB2 ARG 82 1HB ARG 82 15.017 -4.257 -0.637 632 HB3 ARG 82 2HB ARG 82 15.389 -5.705 0.288 633 HG2 ARG 82 1HG ARG 82 13.769 -6.935 -1.168 634 HG3 ARG 82 2HG ARG 82 13.692 -5.489 -2.171 635 HD2 ARG 82 1HD ARG 82 16.104 -5.609 -2.523 636 HD3 ARG 82 2HD ARG 82 16.177 -7.061 -1.530 637 HE ARG 82 HE ARG 82 14.370 -7.256 -3.765 638 HH11 ARG 82 1HH1 ARG 82 17.686 -7.659 -2.704 639 HH12 ARG 82 2HH1 ARG 82 18.059 -8.840 -3.918 640 HH21 ARG 82 1HH2 ARG 82 14.869 -8.803 -5.366 641 HH22 ARG 82 2HH2 ARG 82 16.466 -9.477 -5.442 642 H THR 83 H THR 83 14.405 -6.093 2.605 643 HA THR 83 HA THR 83 13.452 -8.705 2.211 644 HB THR 83 HB THR 83 14.697 -7.261 4.528 645 HG1 THR 83 HG1 THR 83 16.296 -7.871 3.278 646 HG21 THR 83 1HG2 THR 83 13.155 -8.885 5.530 647 HG22 THR 83 2HG2 THR 83 14.834 -9.367 5.762 648 HG23 THR 83 3HG2 THR 83 13.852 -10.163 4.532 649 H GLU 84 H GLU 84 12.447 -6.245 4.611 650 HA GLU 84 HA GLU 84 10.328 -7.700 5.689 651 HB2 GLU 84 1HB GLU 84 10.602 -4.698 5.491 652 HB3 GLU 84 2HB GLU 84 9.510 -5.566 6.565 653 HG2 GLU 84 1HG GLU 84 11.608 -6.697 7.472 654 HG3 GLU 84 2HG GLU 84 12.495 -5.414 6.657 655 H VAL 85 H VAL 85 10.371 -5.517 2.895 656 HA VAL 85 HA VAL 85 7.628 -5.506 2.346 657 HB VAL 85 HB VAL 85 10.038 -5.270 0.553 658 HG11 VAL 85 1HG1 VAL 85 8.270 -6.255 -0.792 659 HG12 VAL 85 2HG1 VAL 85 8.512 -4.566 -1.246 660 HG13 VAL 85 3HG1 VAL 85 7.138 -5.022 -0.238 661 HG21 VAL 85 1HG2 VAL 85 9.621 -3.425 2.067 662 HG22 VAL 85 2HG2 VAL 85 7.957 -3.300 1.488 663 HG23 VAL 85 3HG2 VAL 85 9.302 -2.936 0.402 664 H LEU 86 H LEU 86 10.177 -7.695 1.162 665 HA LEU 86 HA LEU 86 8.624 -9.275 -0.504 666 HB2 LEU 86 1HB LEU 86 11.118 -9.906 1.064 667 HB3 LEU 86 2HB LEU 86 10.397 -11.032 -0.084 668 HG LEU 86 HG LEU 86 11.263 -8.255 -0.852 669 HD11 LEU 86 1HD1 LEU 86 12.815 -10.828 -1.090 670 HD12 LEU 86 2HD1 LEU 86 13.174 -9.515 0.031 671 HD13 LEU 86 3HD1 LEU 86 13.304 -9.249 -1.709 672 HD21 LEU 86 1HD2 LEU 86 9.679 -9.268 -2.358 673 HD22 LEU 86 2HD2 LEU 86 10.632 -10.751 -2.411 674 HD23 LEU 86 3HD2 LEU 86 11.277 -9.263 -3.106 675 H LYS 87 H LYS 87 9.017 -9.370 2.958 676 HA LYS 87 HA LYS 87 7.903 -11.978 3.335 677 HB2 LYS 87 1HB LYS 87 8.313 -9.666 5.237 678 HB3 LYS 87 2HB LYS 87 7.714 -11.245 5.733 679 HG2 LYS 87 1HG LYS 87 9.776 -12.283 4.970 680 HG3 LYS 87 2HG LYS 87 10.384 -10.708 4.441 681 HD2 LYS 87 1HD LYS 87 10.297 -9.905 6.745 682 HD3 LYS 87 2HD LYS 87 9.673 -11.468 7.269 683 HE2 LYS 87 1HE LYS 87 12.353 -10.980 5.980 684 HE3 LYS 87 2HE LYS 87 12.072 -11.269 7.695 685 HZ1 LYS 87 1HZ LYS 87 11.452 -13.185 5.513 686 HZ2 LYS 87 2HZ LYS 87 11.243 -13.463 7.169 687 HZ3 LYS 87 3HZ LYS 87 12.797 -13.267 6.535 688 H CYS 88 H CYS 88 6.606 -8.985 2.566 689 HA CYS 88 HA CYS 88 3.939 -9.765 3.499 690 HB2 CYS 88 1HB CYS 88 5.214 -7.122 2.922 691 HB3 CYS 88 2HB CYS 88 3.448 -7.284 2.821 692 H VAL 89 H VAL 89 5.903 -9.829 0.834 693 HA VAL 89 HA VAL 89 3.853 -9.455 -1.162 694 HB VAL 89 HB VAL 89 6.653 -10.564 -1.397 695 HG11 VAL 89 1HG1 VAL 89 4.640 -9.815 -3.505 696 HG12 VAL 89 2HG1 VAL 89 5.273 -11.428 -3.171 697 HG13 VAL 89 3HG1 VAL 89 6.336 -10.180 -3.823 698 HG21 VAL 89 1HG2 VAL 89 7.151 -8.390 -2.459 699 HG22 VAL 89 2HG2 VAL 89 6.680 -8.233 -0.768 700 HG23 VAL 89 3HG2 VAL 89 5.526 -7.844 -2.044 701 H ASP 90 H ASP 90 2.337 -10.920 -1.378 702 HA ASP 90 HA ASP 90 3.039 -13.756 -1.091 703 HB2 ASP 90 1HB ASP 90 0.661 -12.269 -0.029 704 HB3 ASP 90 2HB ASP 90 0.547 -13.994 -0.381 705 H LYS 91 H LYS 91 1.138 -15.116 -2.029 706 HA LYS 91 HA LYS 91 0.977 -14.381 -4.835 707 HB2 LYS 91 1HB LYS 91 -0.139 -16.871 -3.560 708 HB3 LYS 91 2HB LYS 91 0.336 -16.620 -5.233 709 HG2 LYS 91 1HG LYS 91 2.213 -16.702 -2.895 710 HG3 LYS 91 2HG LYS 91 1.909 -18.026 -4.017 711 HD2 LYS 91 1HD LYS 91 2.981 -15.324 -4.821 712 HD3 LYS 91 2HD LYS 91 3.984 -16.741 -4.509 713 HE2 LYS 91 1HE LYS 91 2.808 -17.947 -6.301 714 HE3 LYS 91 2HE LYS 91 1.844 -16.507 -6.624 715 HZ1 LYS 91 1HZ LYS 91 3.862 -15.321 -7.202 716 HZ2 LYS 91 2HZ LYS 91 3.697 -16.704 -8.161 717 HZ3 LYS 91 3HZ LYS 91 4.796 -16.693 -6.877 718 H ASN 92 H ASN 92 -0.955 -14.372 -6.027 719 HA ASN 92 HA ASN 92 -3.155 -13.102 -4.672 720 HB2 ASN 92 1HB ASN 92 -2.358 -12.428 -6.944 721 HB3 ASN 92 2HB ASN 92 -2.914 -13.977 -7.553 722 HD21 ASN 92 1HD2 ASN 92 -4.202 -12.786 -9.015 723 HD22 ASN 92 2HD2 ASN 92 -5.722 -12.117 -8.518 724 H THR 93 H THR 93 -3.433 -15.104 -3.301 725 HA THR 93 HA THR 93 -4.695 -17.380 -4.530 726 HB THR 93 HB THR 93 -5.031 -18.183 -2.223 727 HG1 THR 93 HG1 THR 93 -5.190 -16.650 -0.764 728 HG21 THR 93 1HG2 THR 93 -2.904 -18.588 -3.355 729 HG22 THR 93 2HG2 THR 93 -2.689 -18.401 -1.616 730 HG23 THR 93 3HG2 THR 93 -2.274 -17.077 -2.705 731 H ASP 94 H ASP 94 -5.739 -14.354 -3.310 732 HA ASP 94 HA ASP 94 -8.446 -15.150 -2.753 733 HB2 ASP 94 1HB ASP 94 -7.241 -12.402 -3.162 734 HB3 ASP 94 2HB ASP 94 -8.908 -12.701 -2.655 735 H ASN 95 H ASN 95 -6.628 -14.356 -5.488 736 HA ASN 95 HA ASN 95 -7.048 -14.212 -7.687 737 HB2 ASN 95 1HB ASN 95 -8.393 -16.272 -7.126 738 HB3 ASN 95 2HB ASN 95 -9.814 -15.244 -7.098 739 HD21 ASN 95 1HD2 ASN 95 -10.722 -16.409 -8.785 740 HD22 ASN 95 2HD2 ASN 95 -10.169 -16.231 -10.421 741 H ASN 96 H ASN 96 -7.704 -12.038 -5.824 742 HA ASN 96 HA ASN 96 -9.340 -10.432 -7.635 743 HB2 ASN 96 1HB ASN 96 -10.958 -11.047 -6.000 744 HB3 ASN 96 2HB ASN 96 -9.828 -10.798 -4.675 745 HD21 ASN 96 1HD2 ASN 96 -11.893 -9.269 -7.014 746 HD22 ASN 96 2HD2 ASN 96 -11.928 -7.714 -6.258 747 H ALA 97 H ALA 97 -8.358 -8.584 -8.078 748 HA ALA 97 HA ALA 97 -5.743 -8.126 -7.140 749 HB1 ALA 97 1HB ALA 97 -6.510 -7.549 -9.399 750 HB2 ALA 97 2HB ALA 97 -5.731 -6.193 -8.583 751 HB3 ALA 97 3HB ALA 97 -7.487 -6.250 -8.719 752 H CYS 98 H CYS 98 -8.827 -6.636 -6.259 753 HA CYS 98 HA CYS 98 -7.759 -4.445 -4.834 754 HB2 CYS 98 1HB CYS 98 -10.337 -5.931 -4.278 755 HB3 CYS 98 2HB CYS 98 -9.916 -4.332 -3.680 756 H HIS 99 H HIS 99 -8.445 -7.778 -3.866 757 HA HIS 99 HA HIS 99 -7.824 -7.275 -1.096 758 HB2 HIS 99 1HB HIS 99 -9.402 -9.077 -2.057 759 HB3 HIS 99 2HB HIS 99 -7.942 -9.989 -2.407 760 HD1 HIS 99 HD1 HIS 99 -10.468 -9.987 -0.044 761 HD2 HIS 99 HD2 HIS 99 -6.326 -10.016 0.291 762 HE1 HIS 99 HE1 HIS 99 -9.982 -10.930 2.232 763 HE2 HIS 99 HE2 HIS 99 -7.475 -11.133 2.318 764 H TRP 100 H TRP 100 -6.118 -8.329 -3.936 765 HA TRP 100 HA TRP 100 -3.897 -9.528 -2.667 766 HB2 TRP 100 1HB TRP 100 -4.515 -9.814 -5.081 767 HB3 TRP 100 2HB TRP 100 -3.935 -8.175 -5.381 768 HD1 TRP 100 HD1 TRP 100 -1.674 -9.816 -2.966 769 HE1 TRP 100 HE1 TRP 100 0.437 -10.692 -4.144 770 HE3 TRP 100 HE3 TRP 100 -3.231 -9.421 -7.825 771 HZ2 TRP 100 HZ2 TRP 100 1.325 -11.162 -6.783 772 HZ3 TRP 100 HZ3 TRP 100 -1.689 -10.105 -9.614 773 HH2 TRP 100 HH2 TRP 100 0.537 -10.959 -9.109 774 H ALA 101 H ALA 101 -4.340 -6.272 -4.043 775 HA ALA 101 HA ALA 101 -1.836 -5.253 -3.219 776 HB1 ALA 101 1HB ALA 101 -2.823 -3.045 -3.674 777 HB2 ALA 101 2HB ALA 101 -4.410 -3.801 -3.820 778 HB3 ALA 101 3HB ALA 101 -3.139 -4.195 -4.975 779 H PHE 102 H PHE 102 -5.006 -5.347 -1.732 780 HA PHE 102 HA PHE 102 -4.419 -3.631 0.418 781 HB2 PHE 102 1HB PHE 102 -6.694 -4.119 -0.309 782 HB3 PHE 102 2HB PHE 102 -6.523 -5.786 0.229 783 HD1 PHE 102 HD1 PHE 102 -7.102 -6.358 2.423 784 HD2 PHE 102 HD2 PHE 102 -6.421 -2.276 1.429 785 HE1 PHE 102 HE1 PHE 102 -7.898 -5.690 4.650 786 HE2 PHE 102 HE2 PHE 102 -7.213 -1.601 3.658 787 HZ PHE 102 HZ PHE 102 -7.953 -3.306 5.273 788 H ARG 103 H ARG 103 -3.964 -7.051 -0.129 789 HA ARG 103 HA ARG 103 -3.504 -7.862 2.539 790 HB2 ARG 103 1HB ARG 103 -3.885 -9.449 0.654 791 HB3 ARG 103 2HB ARG 103 -2.309 -9.004 0.012 792 HG2 ARG 103 1HG ARG 103 -1.321 -9.739 2.200 793 HG3 ARG 103 2HG ARG 103 -2.901 -10.390 2.601 794 HD2 ARG 103 1HD ARG 103 -1.191 -11.222 0.250 795 HD3 ARG 103 2HD ARG 103 -1.405 -12.123 1.746 796 HE ARG 103 HE ARG 103 -3.885 -11.588 0.423 797 HH11 ARG 103 1HH1 ARG 103 -1.115 -13.696 0.551 798 HH12 ARG 103 2HH1 ARG 103 -1.934 -15.044 -0.161 799 HH21 ARG 103 1HH2 ARG 103 -4.990 -13.354 -0.532 800 HH22 ARG 103 2HH2 ARG 103 -4.132 -14.857 -0.782 801 H GLY 104 H GLY 104 -1.310 -6.852 -0.062 802 HA2 GLY 104 1HA GLY 104 1.098 -7.138 1.369 803 HA3 GLY 104 2HA GLY 104 0.852 -6.079 -0.025 804 H PHE 105 H PHE 105 -1.062 -4.363 0.985 805 HA PHE 105 HA PHE 105 0.570 -2.512 2.322 806 HB2 PHE 105 1HB PHE 105 -1.111 -1.674 0.880 807 HB3 PHE 105 2HB PHE 105 -2.371 -2.569 1.715 808 HD1 PHE 105 HD1 PHE 105 0.336 -0.335 2.961 809 HD2 PHE 105 HD2 PHE 105 -3.854 -1.016 2.596 810 HE1 PHE 105 HE1 PHE 105 -0.114 1.667 4.316 811 HE2 PHE 105 HE2 PHE 105 -4.299 0.978 3.958 812 HZ PHE 105 HZ PHE 105 -2.429 2.324 4.819 813 H LYS 106 H LYS 106 -2.120 -4.529 3.437 814 HA LYS 106 HA LYS 106 -2.236 -3.393 6.007 815 HB2 LYS 106 1HB LYS 106 -4.193 -4.459 5.419 816 HB3 LYS 106 2HB LYS 106 -3.378 -5.898 4.797 817 HG2 LYS 106 1HG LYS 106 -2.791 -6.475 7.140 818 HG3 LYS 106 2HG LYS 106 -3.701 -5.064 7.676 819 HD2 LYS 106 1HD LYS 106 -5.144 -6.914 7.942 820 HD3 LYS 106 2HD LYS 106 -5.704 -6.054 6.508 821 HE2 LYS 106 1HE LYS 106 -4.718 -7.665 5.061 822 HE3 LYS 106 2HE LYS 106 -3.860 -8.433 6.396 823 HZ1 LYS 106 1HZ LYS 106 -6.797 -8.394 5.982 824 HZ2 LYS 106 2HZ LYS 106 -6.025 -9.043 7.337 825 HZ3 LYS 106 3HZ LYS 106 -5.771 -9.731 5.813 826 H CYS 107 H CYS 107 -0.604 -6.231 4.706 827 HA CYS 107 HA CYS 107 0.307 -7.377 7.064 828 HB2 CYS 107 1HB CYS 107 0.470 -8.638 5.076 829 HB3 CYS 107 2HB CYS 107 1.383 -7.389 4.244 830 H PHE 108 H PHE 108 1.742 -4.862 5.035 831 HA PHE 108 HA PHE 108 4.219 -4.855 6.461 832 HB2 PHE 108 1HB PHE 108 3.836 -4.253 4.017 833 HB3 PHE 108 2HB PHE 108 3.227 -2.705 4.602 834 HD1 PHE 108 HD1 PHE 108 6.160 -4.807 4.106 835 HD2 PHE 108 HD2 PHE 108 4.747 -1.090 5.632 836 HE1 PHE 108 HE1 PHE 108 8.464 -3.957 4.171 837 HE2 PHE 108 HE2 PHE 108 7.054 -0.239 5.693 838 HZ PHE 108 HZ PHE 108 8.912 -1.672 4.958 839 H GLN 109 H GLN 109 1.412 -2.655 6.328 840 HA GLN 109 HA GLN 109 2.489 -0.731 8.082 841 HB2 GLN 109 1HB GLN 109 0.282 0.205 8.205 842 HB3 GLN 109 2HB GLN 109 0.591 -0.300 6.552 843 HG2 GLN 109 1HG GLN 109 -1.450 -1.189 6.690 844 HG3 GLN 109 2HG GLN 109 -0.643 -2.499 7.560 845 HE21 GLN 109 1HE2 GLN 109 -3.390 -1.557 7.762 846 HE22 GLN 109 2HE2 GLN 109 -3.624 -1.112 9.416 847 H LYS 110 H LYS 110 1.020 -3.784 8.617 848 HA LYS 110 HA LYS 110 0.010 -3.476 11.204 849 HB2 LYS 110 1HB LYS 110 -0.470 -5.389 9.749 850 HB3 LYS 110 2HB LYS 110 1.204 -5.898 9.853 851 HG2 LYS 110 1HG LYS 110 0.978 -6.390 12.178 852 HG3 LYS 110 2HG LYS 110 -0.665 -5.751 12.196 853 HD2 LYS 110 1HD LYS 110 -1.373 -7.495 10.646 854 HD3 LYS 110 2HD LYS 110 0.276 -8.112 10.570 855 HE2 LYS 110 1HE LYS 110 0.192 -8.643 12.953 856 HE3 LYS 110 2HE LYS 110 -1.451 -8.010 13.040 857 HZ1 LYS 110 1HZ LYS 110 -2.171 -9.733 11.525 858 HZ2 LYS 110 2HZ LYS 110 -1.407 -10.425 12.863 859 HZ3 LYS 110 3HZ LYS 110 -0.592 -10.323 11.388 860 H ASN 111 H ASN 111 3.259 -3.937 10.014 861 HA ASN 111 HA ASN 111 4.236 -4.135 12.790 862 HB2 ASN 111 1HB ASN 111 5.600 -5.103 10.272 863 HB3 ASN 111 2HB ASN 111 6.211 -5.260 11.914 864 HD21 ASN 111 1HD2 ASN 111 5.536 -7.275 9.870 865 HD22 ASN 111 2HD2 ASN 111 4.414 -8.342 10.637 866 H ASN 112 H ASN 112 4.456 -2.412 9.768 867 HA ASN 112 HA ASN 112 6.506 -0.656 10.940 868 HB2 ASN 112 1HB ASN 112 6.571 -1.872 8.173 869 HB3 ASN 112 2HB ASN 112 7.636 -0.579 8.729 870 HD21 ASN 112 1HD2 ASN 112 7.961 -3.474 7.877 871 HD22 ASN 112 2HD2 ASN 112 9.006 -4.136 9.090 872 H LEU 113 H LEU 113 4.150 0.374 11.129 873 HA LEU 113 HA LEU 113 3.226 1.618 8.710 874 HB2 LEU 113 1HB LEU 113 1.604 1.118 10.401 875 HB3 LEU 113 2HB LEU 113 2.471 2.062 11.594 876 HG LEU 113 HG LEU 113 1.957 4.107 10.249 877 HD11 LEU 113 1HD1 LEU 113 1.665 2.911 8.097 878 HD12 LEU 113 2HD1 LEU 113 0.330 3.996 8.488 879 HD13 LEU 113 3HD1 LEU 113 0.145 2.256 8.710 880 HD21 LEU 113 1HD2 LEU 113 -0.400 4.206 10.908 881 HD22 LEU 113 2HD2 LEU 113 0.590 3.470 12.168 882 HD23 LEU 113 3HD2 LEU 113 -0.408 2.457 11.130 883 H SER 114 H SER 114 5.343 2.435 11.326 884 HA SER 114 HA SER 114 5.516 5.208 11.022 885 HB2 SER 114 1HB SER 114 6.490 3.980 12.924 886 HB3 SER 114 2HB SER 114 7.692 3.266 11.851 887 HG SER 114 HG SER 114 8.504 5.087 12.968 888 H LEU 115 H LEU 115 7.181 2.596 9.304 889 HA LEU 115 HA LEU 115 8.982 4.295 7.918 890 HB2 LEU 115 1HB LEU 115 9.321 1.863 8.277 891 HB3 LEU 115 2HB LEU 115 8.025 1.550 7.139 892 HG LEU 115 HG LEU 115 9.348 2.667 5.368 893 HD11 LEU 115 1HD1 LEU 115 11.403 2.813 7.557 894 HD12 LEU 115 2HD1 LEU 115 10.682 4.159 6.674 895 HD13 LEU 115 3HD1 LEU 115 11.765 3.039 5.846 896 HD21 LEU 115 1HD2 LEU 115 9.429 0.231 5.672 897 HD22 LEU 115 2HD2 LEU 115 10.802 0.422 6.763 898 HD23 LEU 115 3HD2 LEU 115 10.954 0.875 5.067 899 H ILE 116 H ILE 116 5.740 3.155 7.341 900 HA ILE 116 HA ILE 116 5.561 3.932 4.618 901 HB ILE 116 HB ILE 116 3.368 3.579 6.676 902 HG12 ILE 116 1HG1 ILE 116 4.460 1.687 4.576 903 HG13 ILE 116 2HG1 ILE 116 4.695 1.547 6.325 904 HG21 ILE 116 1HG2 ILE 116 3.219 3.761 3.672 905 HG22 ILE 116 2HG2 ILE 116 2.576 4.931 4.828 906 HG23 ILE 116 3HG2 ILE 116 1.882 3.310 4.728 907 HD11 ILE 116 1HD1 ILE 116 2.237 1.308 6.556 908 HD12 ILE 116 2HD1 ILE 116 3.007 0.011 5.643 909 HD13 ILE 116 3HD1 ILE 116 2.123 1.280 4.797 910 H LYS 117 H LYS 117 4.732 5.480 7.680 911 HA LYS 117 HA LYS 117 3.705 7.872 6.626 912 HB2 LYS 117 1HB LYS 117 4.962 7.168 9.266 913 HB3 LYS 117 2HB LYS 117 4.388 8.793 8.918 914 HG2 LYS 117 1HG LYS 117 2.139 7.952 8.568 915 HG3 LYS 117 2HG LYS 117 2.688 6.299 8.823 916 HD2 LYS 117 1HD LYS 117 3.205 6.748 11.114 917 HD3 LYS 117 2HD LYS 117 2.946 8.480 10.894 918 HE2 LYS 117 1HE LYS 117 0.792 6.404 10.527 919 HE3 LYS 117 2HE LYS 117 1.074 7.255 12.045 920 HZ1 LYS 117 1HZ LYS 117 0.400 8.555 9.457 921 HZ2 LYS 117 2HZ LYS 117 0.629 9.341 10.934 922 HZ3 LYS 117 3HZ LYS 117 -0.679 8.292 10.732 923 H ALA 118 H ALA 118 6.976 6.920 7.593 924 HA ALA 118 HA ALA 118 8.178 9.447 7.072 925 HB1 ALA 118 1HB ALA 118 9.145 7.785 8.574 926 HB2 ALA 118 2HB ALA 118 10.278 8.254 7.306 927 HB3 ALA 118 3HB ALA 118 9.424 6.713 7.204 928 H SER 119 H SER 119 7.471 6.644 5.153 929 HA SER 119 HA SER 119 9.178 6.967 3.003 930 HB2 SER 119 1HB SER 119 7.789 4.984 3.315 931 HB3 SER 119 2HB SER 119 6.334 5.929 3.011 932 HG SER 119 HG SER 119 8.452 5.574 1.156 933 H ILE 120 H ILE 120 5.995 8.437 3.534 934 HA ILE 120 HA ILE 120 6.224 9.899 1.015 935 HB ILE 120 HB ILE 120 3.910 10.644 1.490 936 HG12 ILE 120 1HG1 ILE 120 4.017 8.739 3.833 937 HG13 ILE 120 2HG1 ILE 120 4.155 10.490 3.993 938 HG21 ILE 120 1HG2 ILE 120 2.848 8.457 1.158 939 HG22 ILE 120 2HG2 ILE 120 4.355 7.670 1.624 940 HG23 ILE 120 3HG2 ILE 120 4.290 8.652 0.160 941 HD11 ILE 120 1HD1 ILE 120 1.930 10.721 2.971 942 HD12 ILE 120 2HD1 ILE 120 1.909 9.799 4.473 943 HD13 ILE 120 3HD1 ILE 120 1.796 8.963 2.924 944 H LYS 121 H LYS 121 7.207 10.332 4.108 945 HA LYS 121 HA LYS 121 6.526 13.149 4.347 946 HB2 LYS 121 1HB LYS 121 6.406 11.549 6.277 947 HB3 LYS 121 2HB LYS 121 8.152 11.395 6.194 948 HG2 LYS 121 1HG LYS 121 8.408 13.752 6.721 949 HG3 LYS 121 2HG LYS 121 6.653 13.951 6.732 950 HD2 LYS 121 1HD LYS 121 6.465 12.405 8.598 951 HD3 LYS 121 2HD LYS 121 8.206 12.120 8.563 952 HE2 LYS 121 1HE LYS 121 6.871 14.767 9.124 953 HE3 LYS 121 2HE LYS 121 7.551 13.687 10.340 954 HZ1 LYS 121 1HZ LYS 121 9.104 15.428 9.811 955 HZ2 LYS 121 2HZ LYS 121 9.048 15.046 8.169 956 HZ3 LYS 121 3HZ LYS 121 9.722 13.950 9.267 957 H LYS 122 H LYS 122 7.876 14.749 3.802 958 HA LYS 122 HA LYS 122 9.780 15.940 3.361 959 HB2 LYS 122 1HB LYS 122 10.631 14.021 5.209 960 HB3 LYS 122 2HB LYS 122 11.785 13.951 3.905 961 HG2 LYS 122 1HG LYS 122 12.190 16.357 4.115 962 HG3 LYS 122 2HG LYS 122 11.046 16.418 5.458 963 HD2 LYS 122 1HD LYS 122 13.323 16.306 6.300 964 HD3 LYS 122 2HD LYS 122 12.449 14.830 6.706 965 HE2 LYS 122 1HE LYS 122 13.499 13.722 4.753 966 HE3 LYS 122 2HE LYS 122 14.421 15.193 4.451 967 HZ1 LYS 122 1HZ LYS 122 14.586 13.460 6.854 968 HZ2 LYS 122 2HZ LYS 122 15.392 14.934 6.684 969 HZ3 LYS 122 3HZ LYS 122 15.768 13.645 5.656 970 H ASP 123 H ASP 123 11.709 15.950 1.977 971 HA ASP 123 HA ASP 123 11.434 14.061 -0.253 972 HB2 ASP 123 1HB ASP 123 11.048 16.391 -0.873 973 HB3 ASP 123 2HB ASP 123 12.607 16.848 -0.199 974 H21 ACD 201 H21 ACD 1 -4.631 5.028 1.556 975 H22 ACD 201 H22 ACD 1 -3.458 5.095 2.881 976 H31 ACD 201 H31 ACD 1 -1.991 6.551 1.459 977 H32 ACD 201 H32 ACD 1 -3.138 6.393 0.133 978 H41 ACD 201 H41 ACD 1 -2.795 3.903 0.166 979 H42 ACD 201 H42 ACD 1 -1.307 4.798 -0.189 980 H5 ACD 201 H5 ACD 1 -1.904 3.214 2.355 981 H6 ACD 201 H6 ACD 1 0.364 3.788 2.870 982 H71 ACD 201 H71 ACD 1 0.796 4.939 0.243 983 H72 ACD 201 H72 ACD 1 -0.103 6.180 1.113 984 H8 ACD 201 H8 ACD 1 1.779 6.499 2.708 985 H9 ACD 201 H9 ACD 1 3.873 5.537 2.095 986 H101 ACD 201 H101 ACD 1 2.800 4.709 -0.473 987 H102 ACD 201 H102 ACD 1 2.299 3.440 0.649 988 H11 ACD 201 H11 ACD 1 5.277 4.254 0.533 989 H12 ACD 201 H12 ACD 1 5.561 1.915 0.250 990 H131 ACD 201 H131 ACD 1 2.578 1.997 -0.440 991 H132 ACD 201 H132 ACD 1 3.659 0.607 -0.582 992 H14 ACD 201 H14 ACD 1 2.549 1.628 2.131 993 H15 ACD 201 H15 ACD 1 2.517 -0.716 2.563 994 H161 ACD 201 H161 ACD 1 2.731 -1.377 -0.246 995 H162 ACD 201 H162 ACD 1 4.376 -0.932 0.216 996 H171 ACD 201 H171 ACD 1 4.482 -2.641 1.896 997 H172 ACD 201 H172 ACD 1 2.747 -2.952 1.789 998 H181 ACD 201 H181 ACD 1 4.751 -3.441 -0.454 999 H182 ACD 201 H182 ACD 1 3.021 -3.791 -0.525 1000 H191 ACD 201 H191 ACD 1 5.049 -5.050 1.371 1001 H192 ACD 201 H192 ACD 1 3.310 -5.333 1.457 1002 H201 ACD 201 H201 ACD 1 5.079 -5.967 -0.918 1003 H202 ACD 201 H202 ACD 1 3.369 -6.226 -0.856 1004 H203 ACD 201 H203 ACD 1 4.418 -7.118 0.192 Start of MODEL 25 1 H1 MET 1 1H MET 1 17.933 5.908 -15.619 2 H2 MET 1 2H MET 1 18.307 7.040 -14.417 3 H3 MET 1 3H MET 1 17.430 7.513 -15.781 4 HA MET 1 HA MET 1 15.578 6.185 -15.155 5 HB2 MET 1 1HB MET 1 15.538 4.975 -13.026 6 HB3 MET 1 2HB MET 1 16.799 4.355 -14.080 7 HG2 MET 1 1HG MET 1 18.486 5.538 -12.816 8 HG3 MET 1 2HG MET 1 17.246 6.274 -11.803 9 HE1 MET 1 1HE MET 1 18.513 5.466 -9.617 10 HE2 MET 1 2HE MET 1 19.770 4.745 -10.623 11 HE3 MET 1 3HE MET 1 19.016 3.800 -9.339 12 H GLU 2 H GLU 2 14.003 7.454 -14.394 13 HA GLU 2 HA GLU 2 14.723 9.452 -12.357 14 HB2 GLU 2 1HB GLU 2 12.889 9.829 -14.718 15 HB3 GLU 2 2HB GLU 2 13.119 10.997 -13.430 16 HG2 GLU 2 1HG GLU 2 15.521 11.101 -14.044 17 HG3 GLU 2 2HG GLU 2 15.161 10.058 -15.417 18 H PHE 3 H PHE 3 13.886 8.567 -10.598 19 HA PHE 3 HA PHE 3 11.067 7.748 -10.671 20 HB2 PHE 3 1HB PHE 3 12.564 5.967 -9.973 21 HB3 PHE 3 2HB PHE 3 13.246 6.999 -8.714 22 HD1 PHE 3 HD1 PHE 3 10.175 5.264 -9.812 23 HD2 PHE 3 HD2 PHE 3 12.221 7.169 -6.608 24 HE1 PHE 3 HE1 PHE 3 8.459 4.456 -8.242 25 HE2 PHE 3 HE2 PHE 3 10.511 6.365 -5.030 26 HZ PHE 3 HZ PHE 3 8.626 5.006 -5.847 27 H THR 4 H THR 4 9.685 9.110 -9.821 28 HA THR 4 HA THR 4 10.596 11.032 -7.788 29 HB THR 4 HB THR 4 7.813 11.214 -8.749 30 HG1 THR 4 HG1 THR 4 9.341 12.461 -10.574 31 HG21 THR 4 1HG2 THR 4 10.051 13.211 -8.513 32 HG22 THR 4 2HG2 THR 4 8.888 12.823 -7.247 33 HG23 THR 4 3HG2 THR 4 8.341 13.571 -8.748 34 H VAL 5 H VAL 5 10.004 10.858 -5.757 35 HA VAL 5 HA VAL 5 8.422 8.532 -4.993 36 HB VAL 5 HB VAL 5 9.294 8.673 -2.887 37 HG11 VAL 5 1HG1 VAL 5 11.632 9.302 -2.952 38 HG12 VAL 5 2HG1 VAL 5 11.360 10.151 -4.472 39 HG13 VAL 5 3HG1 VAL 5 11.140 8.405 -4.385 40 HG21 VAL 5 1HG2 VAL 5 9.656 11.654 -3.190 41 HG22 VAL 5 2HG2 VAL 5 10.061 10.710 -1.755 42 HG23 VAL 5 3HG2 VAL 5 8.382 10.843 -2.278 43 H SER 6 H SER 6 6.478 8.540 -4.113 44 HA SER 6 HA SER 6 4.853 10.878 -4.540 45 HB2 SER 6 1HB SER 6 4.054 8.236 -3.301 46 HB3 SER 6 2HB SER 6 2.986 9.433 -4.033 47 HG SER 6 HG SER 6 4.468 8.995 -5.970 48 H THR 7 H THR 7 5.217 12.462 -3.031 49 HA THR 7 HA THR 7 5.486 11.804 -0.234 50 HB THR 7 HB THR 7 5.566 14.220 0.161 51 HG1 THR 7 HG1 THR 7 4.897 14.360 -2.615 52 HG21 THR 7 1HG2 THR 7 7.243 13.382 -2.203 53 HG22 THR 7 2HG2 THR 7 7.622 13.085 -0.507 54 HG23 THR 7 3HG2 THR 7 7.584 14.735 -1.126 55 H THR 8 H THR 8 4.064 13.326 1.269 56 HA THR 8 HA THR 8 1.480 12.375 1.349 57 HB THR 8 HB THR 8 2.492 15.013 2.425 58 HG1 THR 8 HG1 THR 8 3.577 12.991 3.105 59 HG21 THR 8 1HG2 THR 8 0.079 14.968 2.404 60 HG22 THR 8 2HG2 THR 8 0.654 14.765 4.061 61 HG23 THR 8 3HG2 THR 8 0.070 13.370 3.149 62 H GLU 9 H GLU 9 2.658 15.396 -0.074 63 HA GLU 9 HA GLU 9 0.191 16.487 -0.765 64 HB2 GLU 9 1HB GLU 9 2.848 16.842 -2.151 65 HB3 GLU 9 2HB GLU 9 1.449 17.890 -2.332 66 HG2 GLU 9 1HG GLU 9 1.575 18.443 0.051 67 HG3 GLU 9 2HG GLU 9 3.014 17.435 0.193 68 H ASP 10 H ASP 10 2.360 14.352 -2.571 69 HA ASP 10 HA ASP 10 0.861 14.328 -4.977 70 HB2 ASP 10 1HB ASP 10 2.710 12.166 -3.945 71 HB3 ASP 10 2HB ASP 10 2.173 12.392 -5.607 72 H LEU 11 H LEU 11 0.839 12.364 -2.067 73 HA LEU 11 HA LEU 11 -0.846 10.334 -3.015 74 HB2 LEU 11 1HB LEU 11 0.526 10.037 -1.048 75 HB3 LEU 11 2HB LEU 11 -0.379 11.288 -0.186 76 HG LEU 11 HG LEU 11 -2.394 9.822 -0.364 77 HD11 LEU 11 1HD1 LEU 11 -0.417 7.775 -1.344 78 HD12 LEU 11 2HD1 LEU 11 -1.668 8.539 -2.323 79 HD13 LEU 11 3HD1 LEU 11 -2.118 7.498 -0.976 80 HD21 LEU 11 1HD2 LEU 11 -1.741 8.333 1.411 81 HD22 LEU 11 2HD2 LEU 11 -0.928 9.883 1.640 82 HD23 LEU 11 3HD2 LEU 11 -0.039 8.505 0.985 83 H GLN 12 H GLN 12 -1.479 13.496 -1.710 84 HA GLN 12 HA GLN 12 -4.236 13.197 -1.174 85 HB2 GLN 12 1HB GLN 12 -2.580 15.613 -1.870 86 HB3 GLN 12 2HB GLN 12 -4.291 15.712 -1.486 87 HG2 GLN 12 1HG GLN 12 -3.868 14.839 0.733 88 HG3 GLN 12 2HG GLN 12 -2.159 14.647 0.348 89 HE21 GLN 12 1HE2 GLN 12 -3.502 16.247 2.410 90 HE22 GLN 12 2HE2 GLN 12 -2.953 17.869 2.173 91 H ARG 13 H ARG 13 -2.437 13.759 -4.078 92 HA ARG 13 HA ARG 13 -4.613 14.605 -5.712 93 HB2 ARG 13 1HB ARG 13 -1.970 13.330 -6.428 94 HB3 ARG 13 2HB ARG 13 -3.116 13.953 -7.602 95 HG2 ARG 13 1HG ARG 13 -2.849 16.196 -6.699 96 HG3 ARG 13 2HG ARG 13 -1.704 15.573 -5.490 97 HD2 ARG 13 1HD ARG 13 -0.205 14.860 -7.250 98 HD3 ARG 13 2HD ARG 13 -1.361 15.367 -8.478 99 HE ARG 13 HE ARG 13 -0.662 17.545 -6.801 100 HH11 ARG 13 1HH1 ARG 13 0.574 15.538 -9.389 101 HH12 ARG 13 2HH1 ARG 13 1.621 16.766 -10.024 102 HH21 ARG 13 1HH2 ARG 13 0.730 19.175 -7.626 103 HH22 ARG 13 2HH2 ARG 13 1.708 18.843 -9.019 104 H TYR 14 H TYR 14 -2.848 11.537 -5.489 105 HA TYR 14 HA TYR 14 -4.458 10.093 -7.259 106 HB2 TYR 14 1HB TYR 14 -2.927 8.933 -4.925 107 HB3 TYR 14 2HB TYR 14 -3.378 8.121 -6.415 108 HD1 TYR 14 HD1 TYR 14 -2.633 9.995 -8.497 109 HD2 TYR 14 HD2 TYR 14 -0.586 9.035 -4.891 110 HE1 TYR 14 HE1 TYR 14 -0.507 10.668 -9.530 111 HE2 TYR 14 HE2 TYR 14 1.543 9.715 -5.914 112 HH TYR 14 HH TYR 14 1.711 11.451 -8.826 113 H ARG 15 H ARG 15 -4.821 10.740 -3.847 114 HA ARG 15 HA ARG 15 -6.658 8.818 -3.125 115 HB2 ARG 15 1HB ARG 15 -5.909 11.487 -2.160 116 HB3 ARG 15 2HB ARG 15 -7.537 11.004 -1.729 117 HG2 ARG 15 1HG ARG 15 -6.524 8.864 -0.837 118 HG3 ARG 15 2HG ARG 15 -4.949 9.632 -1.048 119 HD2 ARG 15 1HD ARG 15 -5.593 11.421 0.474 120 HD3 ARG 15 2HD ARG 15 -7.212 10.738 0.622 121 HE ARG 15 HE ARG 15 -5.523 8.710 1.361 122 HH11 ARG 15 1HH1 ARG 15 -6.084 11.994 2.459 123 HH12 ARG 15 2HH1 ARG 15 -5.606 11.655 4.092 124 HH21 ARG 15 1HH2 ARG 15 -4.953 8.247 3.481 125 HH22 ARG 15 2HH2 ARG 15 -4.974 9.506 4.684 126 H THR 16 H THR 16 -7.318 12.054 -4.458 127 HA THR 16 HA THR 16 -10.135 11.786 -4.401 128 HB THR 16 HB THR 16 -8.746 13.576 -6.353 129 HG1 THR 16 HG1 THR 16 -7.680 14.503 -4.772 130 HG21 THR 16 1HG2 THR 16 -11.109 13.930 -4.509 131 HG22 THR 16 2HG2 THR 16 -11.182 13.594 -6.240 132 HG23 THR 16 3HG2 THR 16 -10.517 15.124 -5.667 133 H GLU 17 H GLU 17 -7.725 11.268 -6.954 134 HA GLU 17 HA GLU 17 -9.543 10.870 -9.063 135 HB2 GLU 17 1HB GLU 17 -6.977 9.326 -8.992 136 HB3 GLU 17 2HB GLU 17 -7.753 10.131 -10.340 137 HG2 GLU 17 1HG GLU 17 -7.194 12.313 -9.273 138 HG3 GLU 17 2HG GLU 17 -6.214 11.419 -8.108 139 H CYS 18 H CYS 18 -8.349 8.695 -6.588 140 HA CYS 18 HA CYS 18 -9.643 6.404 -7.774 141 HB2 CYS 18 1HB CYS 18 -8.254 6.764 -5.112 142 HB3 CYS 18 2HB CYS 18 -8.921 5.234 -5.702 143 H VAL 19 H VAL 19 -10.287 8.686 -5.176 144 HA VAL 19 HA VAL 19 -12.411 7.261 -4.004 145 HB VAL 19 HB VAL 19 -11.515 10.111 -3.847 146 HG11 VAL 19 1HG1 VAL 19 -13.278 10.625 -2.270 147 HG12 VAL 19 2HG1 VAL 19 -13.979 9.023 -2.496 148 HG13 VAL 19 3HG1 VAL 19 -13.973 10.180 -3.829 149 HG21 VAL 19 1HG2 VAL 19 -11.276 9.486 -1.450 150 HG22 VAL 19 2HG2 VAL 19 -10.279 8.528 -2.544 151 HG23 VAL 19 3HG2 VAL 19 -11.762 7.844 -1.880 152 H SER 20 H SER 20 -12.423 10.036 -6.230 153 HA SER 20 HA SER 20 -15.220 10.124 -6.543 154 HB2 SER 20 1HB SER 20 -13.011 11.082 -8.371 155 HB3 SER 20 2HB SER 20 -14.704 11.565 -8.492 156 HG SER 20 HG SER 20 -14.405 12.277 -6.214 157 H SER 21 H SER 21 -12.835 8.039 -7.951 158 HA SER 21 HA SER 21 -14.459 7.375 -10.262 159 HB2 SER 21 1HB SER 21 -11.976 7.501 -10.401 160 HB3 SER 21 2HB SER 21 -11.871 6.137 -9.292 161 HG SER 21 HG SER 21 -11.712 5.356 -11.376 162 H LEU 22 H LEU 22 -13.325 5.775 -7.279 163 HA LEU 22 HA LEU 22 -14.798 3.372 -7.968 164 HB2 LEU 22 1HB LEU 22 -13.027 4.069 -5.631 165 HB3 LEU 22 2HB LEU 22 -13.790 2.493 -5.855 166 HG LEU 22 HG LEU 22 -11.873 3.718 -7.832 167 HD11 LEU 22 1HD1 LEU 22 -10.715 3.328 -5.738 168 HD12 LEU 22 2HD1 LEU 22 -10.238 2.112 -6.922 169 HD13 LEU 22 3HD1 LEU 22 -11.385 1.702 -5.646 170 HD21 LEU 22 1HD2 LEU 22 -12.872 0.897 -7.504 171 HD22 LEU 22 2HD2 LEU 22 -11.794 1.503 -8.766 172 HD23 LEU 22 3HD2 LEU 22 -13.470 2.051 -8.699 173 H ASN 23 H ASN 23 -15.956 6.100 -6.966 174 HA ASN 23 HA ASN 23 -17.686 6.854 -5.685 175 HB2 ASN 23 1HB ASN 23 -18.464 3.948 -5.868 176 HB3 ASN 23 2HB ASN 23 -19.494 5.197 -5.199 177 HD21 ASN 23 1HD2 ASN 23 -19.926 3.482 -7.490 178 HD22 ASN 23 2HD2 ASN 23 -20.182 4.542 -8.837 179 H ILE 24 H ILE 24 -15.308 6.231 -4.264 180 HA ILE 24 HA ILE 24 -15.886 4.827 -1.867 181 HB ILE 24 HB ILE 24 -13.782 6.953 -2.236 182 HG12 ILE 24 1HG1 ILE 24 -13.615 5.269 -4.041 183 HG13 ILE 24 2HG1 ILE 24 -12.251 5.176 -2.930 184 HG21 ILE 24 1HG2 ILE 24 -14.145 6.287 0.064 185 HG22 ILE 24 2HG2 ILE 24 -12.592 5.673 -0.502 186 HG23 ILE 24 3HG2 ILE 24 -13.978 4.588 -0.376 187 HD11 ILE 24 1HD1 ILE 24 -13.027 2.967 -3.568 188 HD12 ILE 24 2HD1 ILE 24 -14.642 3.346 -2.968 189 HD13 ILE 24 3HD1 ILE 24 -13.286 3.241 -1.843 190 HA PRO 25 HA PRO 25 -18.437 8.076 -0.101 191 HB2 PRO 25 1HB PRO 25 -18.205 6.453 2.327 192 HB3 PRO 25 2HB PRO 25 -19.643 6.924 1.424 193 HG2 PRO 25 1HG PRO 25 -18.694 4.399 1.448 194 HG3 PRO 25 2HG PRO 25 -19.557 5.097 0.068 195 HD2 PRO 25 1HD PRO 25 -16.634 4.603 0.425 196 HD3 PRO 25 2HD PRO 25 -17.634 4.518 -1.048 197 H ALA 26 H ALA 26 -17.957 9.832 1.044 198 HA ALA 26 HA ALA 26 -15.371 10.534 1.759 199 HB1 ALA 26 1HB ALA 26 -17.202 12.124 1.360 200 HB2 ALA 26 2HB ALA 26 -16.357 12.446 2.875 201 HB3 ALA 26 3HB ALA 26 -17.929 11.647 2.893 202 H ASP 27 H ASP 27 -17.881 8.981 3.596 203 HA ASP 27 HA ASP 27 -17.041 9.081 6.195 204 HB2 ASP 27 1HB ASP 27 -19.063 7.944 5.496 205 HB3 ASP 27 2HB ASP 27 -18.128 6.710 4.663 206 H TYR 28 H TYR 28 -15.928 6.737 3.742 207 HA TYR 28 HA TYR 28 -13.981 5.534 5.375 208 HB2 TYR 28 1HB TYR 28 -14.477 5.620 2.423 209 HB3 TYR 28 2HB TYR 28 -13.011 4.866 3.045 210 HD1 TYR 28 HD1 TYR 28 -13.087 2.682 3.990 211 HD2 TYR 28 HD2 TYR 28 -16.701 4.747 3.127 212 HE1 TYR 28 HE1 TYR 28 -14.355 0.616 4.387 213 HE2 TYR 28 HE2 TYR 28 -17.977 2.686 3.514 214 HH TYR 28 HH TYR 28 -17.556 0.221 3.445 215 H VAL 29 H VAL 29 -13.864 8.252 3.137 216 HA VAL 29 HA VAL 29 -11.108 8.558 2.897 217 HB VAL 29 HB VAL 29 -13.209 10.713 2.867 218 HG11 VAL 29 1HG1 VAL 29 -10.388 10.666 1.821 219 HG12 VAL 29 2HG1 VAL 29 -11.020 11.687 3.112 220 HG13 VAL 29 3HG1 VAL 29 -11.570 11.921 1.452 221 HG21 VAL 29 1HG2 VAL 29 -13.126 10.398 0.423 222 HG22 VAL 29 2HG2 VAL 29 -13.702 8.965 1.277 223 HG23 VAL 29 3HG2 VAL 29 -12.049 9.021 0.666 224 H GLU 30 H GLU 30 -13.341 9.910 5.321 225 HA GLU 30 HA GLU 30 -11.454 11.446 6.746 226 HB2 GLU 30 1HB GLU 30 -13.693 10.032 8.146 227 HB3 GLU 30 2HB GLU 30 -13.029 11.635 8.430 228 HG2 GLU 30 1HG GLU 30 -13.994 12.390 6.317 229 HG3 GLU 30 2HG GLU 30 -14.724 10.801 6.103 230 H LYS 31 H LYS 31 -12.317 8.058 6.884 231 HA LYS 31 HA LYS 31 -10.857 7.408 9.224 232 HB2 LYS 31 1HB LYS 31 -11.679 5.628 6.922 233 HB3 LYS 31 2HB LYS 31 -11.064 5.075 8.485 234 HG2 LYS 31 1HG LYS 31 -12.995 6.231 9.563 235 HG3 LYS 31 2HG LYS 31 -13.637 6.534 7.946 236 HD2 LYS 31 1HD LYS 31 -13.615 4.089 7.520 237 HD3 LYS 31 2HD LYS 31 -13.095 3.834 9.197 238 HE2 LYS 31 1HE LYS 31 -15.164 5.011 9.953 239 HE3 LYS 31 2HE LYS 31 -15.692 5.086 8.272 240 HZ1 LYS 31 1HZ LYS 31 -15.173 2.612 9.828 241 HZ2 LYS 31 2HZ LYS 31 -15.646 2.662 8.207 242 HZ3 LYS 31 3HZ LYS 31 -16.690 3.223 9.409 243 H PHE 32 H PHE 32 -10.084 7.146 5.773 244 HA PHE 32 HA PHE 32 -7.545 6.033 6.016 245 HB2 PHE 32 1HB PHE 32 -8.455 7.974 3.891 246 HB3 PHE 32 2HB PHE 32 -7.133 6.821 3.759 247 HD1 PHE 32 HD1 PHE 32 -8.642 4.527 5.152 248 HD2 PHE 32 HD2 PHE 32 -9.673 7.194 2.002 249 HE1 PHE 32 HE1 PHE 32 -10.183 2.848 4.241 250 HE2 PHE 32 HE2 PHE 32 -11.220 5.514 1.086 251 HZ PHE 32 HZ PHE 32 -11.474 3.334 2.203 252 H LYS 33 H LYS 33 -8.604 9.371 6.187 253 HA LYS 33 HA LYS 33 -6.116 10.644 6.169 254 HB2 LYS 33 1HB LYS 33 -8.625 11.537 6.217 255 HB3 LYS 33 2HB LYS 33 -8.300 11.651 7.939 256 HG2 LYS 33 1HG LYS 33 -6.534 12.916 5.861 257 HG3 LYS 33 2HG LYS 33 -7.909 13.745 6.608 258 HD2 LYS 33 1HD LYS 33 -6.897 13.500 8.797 259 HD3 LYS 33 2HD LYS 33 -5.564 12.573 8.108 260 HE2 LYS 33 1HE LYS 33 -4.887 14.520 6.795 261 HE3 LYS 33 2HE LYS 33 -6.229 15.446 7.464 262 HZ1 LYS 33 1HZ LYS 33 -4.152 15.927 8.599 263 HZ2 LYS 33 2HZ LYS 33 -3.977 14.301 9.029 264 HZ3 LYS 33 3HZ LYS 33 -5.260 15.212 9.659 265 H LYS 34 H LYS 34 -7.961 9.156 8.786 266 HA LYS 34 HA LYS 34 -5.863 9.785 10.729 267 HB2 LYS 34 1HB LYS 34 -7.433 9.310 12.403 268 HB3 LYS 34 2HB LYS 34 -8.406 9.993 11.127 269 HG2 LYS 34 1HG LYS 34 -9.009 7.710 10.380 270 HG3 LYS 34 2HG LYS 34 -8.153 7.073 11.786 271 HD2 LYS 34 1HD LYS 34 -9.650 8.251 13.278 272 HD3 LYS 34 2HD LYS 34 -10.457 9.020 11.909 273 HE2 LYS 34 1HE LYS 34 -11.160 6.801 11.107 274 HE3 LYS 34 2HE LYS 34 -10.394 6.064 12.511 275 HZ1 LYS 34 1HZ LYS 34 -11.921 7.231 13.941 276 HZ2 LYS 34 2HZ LYS 34 -12.790 6.351 12.788 277 HZ3 LYS 34 3HZ LYS 34 -12.621 8.025 12.620 278 H TRP 35 H TRP 35 -5.572 7.841 8.478 279 HA TRP 35 HA TRP 35 -4.651 5.825 8.032 280 HB2 TRP 35 1HB TRP 35 -3.589 6.285 10.815 281 HB3 TRP 35 2HB TRP 35 -3.032 4.976 9.767 282 HD1 TRP 35 HD1 TRP 35 -2.714 8.716 10.329 283 HE1 TRP 35 HE1 TRP 35 -0.862 9.650 8.803 284 HE3 TRP 35 HE3 TRP 35 -1.892 4.583 7.425 285 HZ2 TRP 35 HZ2 TRP 35 0.730 8.754 6.660 286 HZ3 TRP 35 HZ3 TRP 35 -0.189 4.709 5.659 287 HH2 TRP 35 HH2 TRP 35 1.098 6.746 5.281 288 H GLU 36 H GLU 36 -7.255 5.466 8.631 289 HA GLU 36 HA GLU 36 -7.242 2.942 10.134 290 HB2 GLU 36 1HB GLU 36 -8.576 5.144 10.945 291 HB3 GLU 36 2HB GLU 36 -9.783 4.420 9.901 292 HG2 GLU 36 1HG GLU 36 -8.457 3.029 12.214 293 HG3 GLU 36 2HG GLU 36 -10.029 3.809 12.273 294 H PHE 37 H PHE 37 -7.374 1.380 8.699 295 HA PHE 37 HA PHE 37 -9.035 1.785 6.296 296 HB2 PHE 37 1HB PHE 37 -6.660 -0.075 6.591 297 HB3 PHE 37 2HB PHE 37 -7.539 0.276 5.108 298 HD1 PHE 37 HD1 PHE 37 -7.022 2.192 3.801 299 HD2 PHE 37 HD2 PHE 37 -5.270 1.692 7.650 300 HE1 PHE 37 HE1 PHE 37 -5.479 4.049 3.339 301 HE2 PHE 37 HE2 PHE 37 -3.718 3.543 7.188 302 HZ PHE 37 HZ PHE 37 -3.823 4.726 5.030 303 HA PRO 38 HA PRO 38 -11.343 -1.539 8.465 304 HB2 PRO 38 1HB PRO 38 -13.272 -0.766 6.355 305 HB3 PRO 38 2HB PRO 38 -13.516 -0.977 8.098 306 HG2 PRO 38 1HG PRO 38 -13.478 1.461 7.040 307 HG3 PRO 38 2HG PRO 38 -12.698 1.135 8.600 308 HD2 PRO 38 1HD PRO 38 -11.433 1.408 5.885 309 HD3 PRO 38 2HD PRO 38 -10.904 2.082 7.459 310 H GLU 39 H GLU 39 -11.524 -3.614 7.893 311 HA GLU 39 HA GLU 39 -10.459 -4.459 5.375 312 HB2 GLU 39 1HB GLU 39 -9.987 -5.667 7.464 313 HB3 GLU 39 2HB GLU 39 -11.685 -6.094 7.600 314 HG2 GLU 39 1HG GLU 39 -11.577 -7.497 5.701 315 HG3 GLU 39 2HG GLU 39 -9.991 -6.876 5.247 316 H ASP 40 H ASP 40 -11.891 -3.586 3.929 317 HA ASP 40 HA ASP 40 -14.323 -5.110 3.449 318 HB2 ASP 40 1HB ASP 40 -15.117 -3.240 4.864 319 HB3 ASP 40 2HB ASP 40 -14.379 -2.087 3.754 320 H ASP 41 H ASP 41 -15.052 -4.923 1.299 321 HA ASP 41 HA ASP 41 -12.905 -4.917 -0.514 322 HB2 ASP 41 1HB ASP 41 -14.530 -5.388 -2.248 323 HB3 ASP 41 2HB ASP 41 -14.921 -6.319 -0.809 324 H THR 42 H THR 42 -15.048 -2.373 0.453 325 HA THR 42 HA THR 42 -14.752 -0.655 -1.774 326 HB THR 42 HB THR 42 -15.047 0.174 1.114 327 HG1 THR 42 HG1 THR 42 -16.717 -1.206 0.824 328 HG21 THR 42 1HG2 THR 42 -15.869 1.466 -1.481 329 HG22 THR 42 2HG2 THR 42 -14.601 2.014 -0.384 330 HG23 THR 42 3HG2 THR 42 -16.289 2.066 0.124 331 H THR 43 H THR 43 -13.098 -0.706 1.358 332 HA THR 43 HA THR 43 -11.133 1.206 0.840 333 HB THR 43 HB THR 43 -10.849 -1.211 2.630 334 HG1 THR 43 HG1 THR 43 -11.699 0.425 4.217 335 HG21 THR 43 1HG2 THR 43 -8.781 -0.008 2.434 336 HG22 THR 43 2HG2 THR 43 -9.490 0.392 4.003 337 HG23 THR 43 3HG2 THR 43 -9.600 1.535 2.663 338 H MET 44 H MET 44 -11.308 -2.193 0.052 339 HA MET 44 HA MET 44 -8.541 -2.608 -0.299 340 HB2 MET 44 1HB MET 44 -10.867 -4.168 -1.410 341 HB3 MET 44 2HB MET 44 -9.197 -4.717 -1.393 342 HG2 MET 44 1HG MET 44 -9.195 -4.644 1.045 343 HG3 MET 44 2HG MET 44 -10.864 -4.085 1.030 344 HE1 MET 44 1HE MET 44 -11.193 -7.688 2.439 345 HE2 MET 44 2HE MET 44 -11.543 -5.976 2.688 346 HE3 MET 44 3HE MET 44 -9.876 -6.551 2.730 347 H CYS 45 H CYS 45 -11.139 -2.113 -2.716 348 HA CYS 45 HA CYS 45 -9.334 -2.066 -4.902 349 HB2 CYS 45 1HB CYS 45 -12.141 -0.967 -4.661 350 HB3 CYS 45 2HB CYS 45 -11.219 -0.975 -6.158 351 H TYR 46 H TYR 46 -10.431 0.366 -2.648 352 HA TYR 46 HA TYR 46 -9.533 2.654 -3.970 353 HB2 TYR 46 1HB TYR 46 -10.820 3.039 -2.053 354 HB3 TYR 46 2HB TYR 46 -9.862 1.934 -1.070 355 HD1 TYR 46 HD1 TYR 46 -9.570 5.175 -2.917 356 HD2 TYR 46 HD2 TYR 46 -8.266 2.801 0.369 357 HE1 TYR 46 HE1 TYR 46 -8.258 7.072 -2.069 358 HE2 TYR 46 HE2 TYR 46 -6.952 4.693 1.223 359 HH TYR 46 HH TYR 46 -5.975 6.738 0.508 360 H ILE 47 H ILE 47 -7.865 0.546 -1.650 361 HA ILE 47 HA ILE 47 -5.370 1.794 -1.737 362 HB ILE 47 HB ILE 47 -6.076 -1.083 -1.181 363 HG12 ILE 47 1HG1 ILE 47 -7.014 0.519 0.416 364 HG13 ILE 47 2HG1 ILE 47 -5.748 -0.435 1.182 365 HG21 ILE 47 1HG2 ILE 47 -3.780 -1.054 -1.872 366 HG22 ILE 47 2HG2 ILE 47 -3.826 -1.231 -0.116 367 HG23 ILE 47 3HG2 ILE 47 -3.437 0.331 -0.836 368 HD11 ILE 47 1HD1 ILE 47 -5.527 1.821 1.892 369 HD12 ILE 47 2HD1 ILE 47 -5.575 2.411 0.233 370 HD13 ILE 47 3HD1 ILE 47 -4.189 1.474 0.796 371 H LYS 48 H LYS 48 -6.784 -0.720 -3.751 372 HA LYS 48 HA LYS 48 -4.498 -1.450 -5.176 373 HB2 LYS 48 1HB LYS 48 -6.721 -2.636 -5.166 374 HB3 LYS 48 2HB LYS 48 -7.320 -1.395 -6.255 375 HG2 LYS 48 1HG LYS 48 -5.356 -2.043 -7.765 376 HG3 LYS 48 2HG LYS 48 -5.233 -3.482 -6.751 377 HD2 LYS 48 1HD LYS 48 -7.532 -4.075 -7.280 378 HD3 LYS 48 2HD LYS 48 -7.702 -2.610 -8.250 379 HE2 LYS 48 1HE LYS 48 -5.842 -3.430 -9.686 380 HE3 LYS 48 2HE LYS 48 -5.859 -4.935 -8.773 381 HZ1 LYS 48 1HZ LYS 48 -8.111 -3.849 -10.374 382 HZ2 LYS 48 2HZ LYS 48 -8.155 -5.279 -9.477 383 HZ3 LYS 48 3HZ LYS 48 -7.117 -5.146 -10.806 384 H CYS 49 H CYS 49 -7.095 0.822 -6.076 385 HA CYS 49 HA CYS 49 -6.004 1.759 -8.441 386 HB2 CYS 49 1HB CYS 49 -8.243 2.289 -7.964 387 HB3 CYS 49 2HB CYS 49 -7.839 3.070 -6.438 388 H VAL 50 H VAL 50 -5.595 3.088 -5.155 389 HA VAL 50 HA VAL 50 -4.020 5.276 -5.869 390 HB VAL 50 HB VAL 50 -4.323 3.751 -3.295 391 HG11 VAL 50 1HG1 VAL 50 -2.739 6.282 -3.723 392 HG12 VAL 50 2HG1 VAL 50 -2.068 4.701 -3.313 393 HG13 VAL 50 3HG1 VAL 50 -3.111 5.542 -2.166 394 HG21 VAL 50 1HG2 VAL 50 -5.199 6.489 -4.180 395 HG22 VAL 50 2HG2 VAL 50 -5.523 5.755 -2.607 396 HG23 VAL 50 3HG2 VAL 50 -6.222 5.056 -4.069 397 H PHE 51 H PHE 51 -3.163 1.997 -4.886 398 HA PHE 51 HA PHE 51 -0.379 2.363 -4.865 399 HB2 PHE 51 1HB PHE 51 -2.240 0.062 -4.814 400 HB3 PHE 51 2HB PHE 51 -0.597 -0.280 -5.341 401 HD1 PHE 51 HD1 PHE 51 -1.510 2.292 -2.857 402 HD2 PHE 51 HD2 PHE 51 0.047 -1.618 -3.493 403 HE1 PHE 51 HE1 PHE 51 -0.810 2.192 -0.500 404 HE2 PHE 51 HE2 PHE 51 0.751 -1.725 -1.139 405 HZ PHE 51 HZ PHE 51 0.323 0.181 0.361 406 H ASN 52 H ASN 52 -2.650 1.837 -7.406 407 HA ASN 52 HA ASN 52 -0.720 1.025 -9.381 408 HB2 ASN 52 1HB ASN 52 -3.594 1.949 -9.591 409 HB3 ASN 52 2HB ASN 52 -2.609 1.562 -11.006 410 HD21 ASN 52 1HD2 ASN 52 -5.032 0.294 -10.155 411 HD22 ASN 52 2HD2 ASN 52 -4.648 -1.367 -9.874 412 H LYS 53 H LYS 53 -2.393 4.009 -8.520 413 HA LYS 53 HA LYS 53 -1.298 5.565 -10.622 414 HB2 LYS 53 1HB LYS 53 -2.762 6.148 -8.092 415 HB3 LYS 53 2HB LYS 53 -1.988 7.475 -8.943 416 HG2 LYS 53 1HG LYS 53 -4.033 5.596 -10.127 417 HG3 LYS 53 2HG LYS 53 -4.374 7.216 -9.516 418 HD2 LYS 53 1HD LYS 53 -2.813 8.147 -11.191 419 HD3 LYS 53 2HD LYS 53 -2.544 6.519 -11.818 420 HE2 LYS 53 1HE LYS 53 -4.159 7.746 -13.181 421 HE3 LYS 53 2HE LYS 53 -4.900 6.346 -12.411 422 HZ1 LYS 53 1HZ LYS 53 -5.075 9.079 -11.266 423 HZ2 LYS 53 2HZ LYS 53 -5.994 7.711 -10.862 424 HZ3 LYS 53 3HZ LYS 53 -6.218 8.463 -12.357 425 H MET 54 H MET 54 -0.180 4.685 -7.456 426 HA MET 54 HA MET 54 1.965 6.633 -7.491 427 HB2 MET 54 1HB MET 54 1.187 4.448 -5.566 428 HB3 MET 54 2HB MET 54 2.653 5.405 -5.372 429 HG2 MET 54 1HG MET 54 1.408 7.392 -5.082 430 HG3 MET 54 2HG MET 54 -0.084 6.611 -5.594 431 HE1 MET 54 1HE MET 54 1.990 6.133 -1.516 432 HE2 MET 54 2HE MET 54 2.439 7.271 -2.781 433 HE3 MET 54 3HE MET 54 2.774 5.554 -2.984 434 H GLN 55 H GLN 55 1.422 3.890 -9.092 435 HA GLN 55 HA GLN 55 2.592 2.295 -10.129 436 HB2 GLN 55 1HB GLN 55 4.592 4.497 -9.907 437 HB3 GLN 55 2HB GLN 55 5.050 2.960 -10.653 438 HG2 GLN 55 1HG GLN 55 3.222 3.225 -12.252 439 HG3 GLN 55 2HG GLN 55 2.792 4.753 -11.497 440 HE21 GLN 55 1HE2 GLN 55 3.145 5.972 -13.317 441 HE22 GLN 55 2HE2 GLN 55 4.723 6.257 -13.967 442 H LEU 56 H LEU 56 2.251 1.629 -7.585 443 HA LEU 56 HA LEU 56 4.860 0.686 -6.664 444 HB2 LEU 56 1HB LEU 56 2.648 2.023 -5.284 445 HB3 LEU 56 2HB LEU 56 3.276 0.616 -4.413 446 HG LEU 56 HG LEU 56 4.885 2.994 -5.355 447 HD11 LEU 56 1HD1 LEU 56 3.336 3.542 -3.526 448 HD12 LEU 56 2HD1 LEU 56 5.019 3.605 -3.011 449 HD13 LEU 56 3HD1 LEU 56 4.015 2.227 -2.574 450 HD21 LEU 56 1HD2 LEU 56 6.639 2.023 -3.910 451 HD22 LEU 56 2HD2 LEU 56 6.249 1.010 -5.299 452 HD23 LEU 56 3HD2 LEU 56 5.630 0.594 -3.700 453 H PHE 57 H PHE 57 1.814 -0.187 -7.775 454 HA PHE 57 HA PHE 57 2.327 -2.993 -7.132 455 HB2 PHE 57 1HB PHE 57 0.681 -2.271 -5.466 456 HB3 PHE 57 2HB PHE 57 -0.336 -1.581 -6.728 457 HD1 PHE 57 HD1 PHE 57 0.933 -4.735 -5.286 458 HD2 PHE 57 HD2 PHE 57 -1.849 -2.920 -7.946 459 HE1 PHE 57 HE1 PHE 57 -0.290 -6.860 -5.455 460 HE2 PHE 57 HE2 PHE 57 -3.073 -5.044 -8.123 461 HZ PHE 57 HZ PHE 57 -2.293 -7.013 -6.874 462 H ASP 58 H ASP 58 1.726 -4.389 -8.744 463 HA ASP 58 HA ASP 58 0.421 -3.229 -11.115 464 HB2 ASP 58 1HB ASP 58 2.779 -3.444 -11.627 465 HB3 ASP 58 2HB ASP 58 2.798 -5.101 -11.033 466 H ASP 59 H ASP 59 -1.095 -4.480 -12.095 467 HA ASP 59 HA ASP 59 -2.424 -6.453 -10.614 468 HB2 ASP 59 1HB ASP 59 -2.591 -5.659 -13.507 469 HB3 ASP 59 2HB ASP 59 -3.557 -6.964 -12.860 470 H THR 60 H THR 60 0.198 -6.749 -12.871 471 HA THR 60 HA THR 60 -0.242 -9.610 -13.151 472 HB THR 60 HB THR 60 1.702 -7.710 -14.446 473 HG1 THR 60 HG1 THR 60 -0.267 -7.547 -15.393 474 HG21 THR 60 1HG2 THR 60 2.438 -9.578 -15.841 475 HG22 THR 60 2HG2 THR 60 1.442 -10.684 -14.892 476 HG23 THR 60 3HG2 THR 60 2.812 -9.860 -14.141 477 H GLU 61 H GLU 61 2.636 -7.587 -12.425 478 HA GLU 61 HA GLU 61 4.029 -9.810 -11.294 479 HB2 GLU 61 1HB GLU 61 4.800 -6.939 -10.877 480 HB3 GLU 61 2HB GLU 61 5.823 -8.362 -10.952 481 HG2 GLU 61 1HG GLU 61 5.194 -8.593 -13.349 482 HG3 GLU 61 2HG GLU 61 4.410 -7.021 -13.223 483 H GLY 62 H GLY 62 1.770 -7.599 -9.995 484 HA2 GLY 62 1HA GLY 62 0.945 -7.526 -7.812 485 HA3 GLY 62 2HA GLY 62 2.262 -8.599 -7.318 486 HA PRO 63 HA PRO 63 3.389 -4.584 -5.373 487 HB2 PRO 63 1HB PRO 63 5.134 -6.487 -3.907 488 HB3 PRO 63 2HB PRO 63 4.063 -5.225 -3.283 489 HG2 PRO 63 1HG PRO 63 3.429 -7.826 -3.090 490 HG3 PRO 63 2HG PRO 63 2.197 -6.579 -3.365 491 HD2 PRO 63 1HD PRO 63 3.405 -8.522 -5.296 492 HD3 PRO 63 2HD PRO 63 1.735 -7.904 -5.201 493 H LEU 64 H LEU 64 4.842 -3.372 -6.375 494 HA LEU 64 HA LEU 64 7.049 -4.587 -7.817 495 HB2 LEU 64 1HB LEU 64 6.371 -1.653 -7.565 496 HB3 LEU 64 2HB LEU 64 7.439 -2.397 -8.738 497 HG LEU 64 HG LEU 64 4.471 -2.904 -8.598 498 HD11 LEU 64 1HD1 LEU 64 6.064 -1.202 -10.512 499 HD12 LEU 64 2HD1 LEU 64 4.934 -0.613 -9.292 500 HD13 LEU 64 3HD1 LEU 64 4.346 -1.576 -10.645 501 HD21 LEU 64 1HD2 LEU 64 4.799 -4.021 -10.721 502 HD22 LEU 64 2HD2 LEU 64 5.795 -4.767 -9.469 503 HD23 LEU 64 3HD2 LEU 64 6.529 -3.685 -10.651 504 H VAL 65 H VAL 65 8.474 -5.307 -6.397 505 HA VAL 65 HA VAL 65 9.122 -4.330 -3.917 506 HB VAL 65 HB VAL 65 10.826 -5.912 -5.824 507 HG11 VAL 65 1HG1 VAL 65 11.217 -5.450 -2.868 508 HG12 VAL 65 2HG1 VAL 65 12.254 -4.850 -4.166 509 HG13 VAL 65 3HG1 VAL 65 12.133 -6.584 -3.863 510 HG21 VAL 65 1HG2 VAL 65 10.105 -7.804 -4.406 511 HG22 VAL 65 2HG2 VAL 65 8.773 -7.019 -5.249 512 HG23 VAL 65 3HG2 VAL 65 9.040 -6.701 -3.535 513 H ASP 66 H ASP 66 10.726 -3.588 -7.003 514 HA ASP 66 HA ASP 66 12.884 -2.166 -5.943 515 HB2 ASP 66 1HB ASP 66 12.862 -2.899 -8.241 516 HB3 ASP 66 2HB ASP 66 11.496 -1.852 -8.603 517 H ASN 67 H ASN 67 9.863 -0.840 -7.325 518 HA ASN 67 HA ASN 67 10.355 1.815 -6.579 519 HB2 ASN 67 1HB ASN 67 7.793 0.346 -7.151 520 HB3 ASN 67 2HB ASN 67 7.835 2.061 -6.771 521 HD21 ASN 67 1HD2 ASN 67 7.048 2.655 -8.752 522 HD22 ASN 67 2HD2 ASN 67 7.990 2.559 -10.201 523 H LEU 68 H LEU 68 8.945 -0.871 -4.863 524 HA LEU 68 HA LEU 68 7.817 0.519 -2.710 525 HB2 LEU 68 1HB LEU 68 8.746 -2.287 -3.139 526 HB3 LEU 68 2HB LEU 68 8.308 -1.764 -1.521 527 HG LEU 68 HG LEU 68 6.443 -1.412 -3.852 528 HD11 LEU 68 1HD1 LEU 68 6.557 -3.760 -1.966 529 HD12 LEU 68 2HD1 LEU 68 7.038 -3.792 -3.661 530 HD13 LEU 68 3HD1 LEU 68 5.357 -3.482 -3.230 531 HD21 LEU 68 1HD2 LEU 68 6.005 -1.582 -0.877 532 HD22 LEU 68 2HD2 LEU 68 4.757 -1.336 -2.100 533 HD23 LEU 68 3HD2 LEU 68 5.994 -0.106 -1.842 534 H VAL 69 H VAL 69 11.051 -0.880 -3.108 535 HA VAL 69 HA VAL 69 11.997 -0.052 -0.555 536 HB VAL 69 HB VAL 69 13.558 -0.714 -3.046 537 HG11 VAL 69 1HG1 VAL 69 14.910 0.526 -1.476 538 HG12 VAL 69 2HG1 VAL 69 15.398 -1.169 -1.461 539 HG13 VAL 69 3HG1 VAL 69 14.394 -0.527 -0.160 540 HG21 VAL 69 1HG2 VAL 69 12.075 -2.526 -2.280 541 HG22 VAL 69 2HG2 VAL 69 12.850 -2.463 -0.696 542 HG23 VAL 69 3HG2 VAL 69 13.782 -2.933 -2.119 543 H HIS 70 H HIS 70 12.195 1.351 -3.812 544 HA HIS 70 HA HIS 70 13.832 3.541 -3.202 545 HB2 HIS 70 1HB HIS 70 11.727 3.101 -5.296 546 HB3 HIS 70 2HB HIS 70 12.491 4.675 -5.122 547 HD1 HIS 70 HD1 HIS 70 14.807 4.961 -6.083 548 HD2 HIS 70 HD2 HIS 70 13.497 1.022 -6.153 549 HE1 HIS 70 HE1 HIS 70 16.461 3.722 -7.514 550 HE2 HIS 70 HE2 HIS 70 15.567 1.372 -7.652 551 H GLN 71 H GLN 71 10.419 3.037 -2.691 552 HA GLN 71 HA GLN 71 9.914 5.810 -2.005 553 HB2 GLN 71 1HB GLN 71 8.253 4.270 -3.168 554 HB3 GLN 71 2HB GLN 71 8.074 3.451 -1.619 555 HG2 GLN 71 1HG GLN 71 6.283 5.025 -1.908 556 HG3 GLN 71 2HG GLN 71 7.337 5.540 -0.592 557 HE21 GLN 71 1HE2 GLN 71 6.713 7.670 -0.718 558 HE22 GLN 71 2HE2 GLN 71 7.179 8.700 -2.022 559 H LEU 72 H LEU 72 9.560 2.710 -0.299 560 HA LEU 72 HA LEU 72 8.949 3.881 2.169 561 HB2 LEU 72 1HB LEU 72 9.895 1.117 1.472 562 HB3 LEU 72 2HB LEU 72 9.438 1.586 3.096 563 HG LEU 72 HG LEU 72 7.609 1.705 0.700 564 HD11 LEU 72 1HD1 LEU 72 8.177 -0.600 1.245 565 HD12 LEU 72 2HD1 LEU 72 6.512 -0.251 1.712 566 HD13 LEU 72 3HD1 LEU 72 7.779 -0.313 2.940 567 HD21 LEU 72 1HD2 LEU 72 7.134 2.124 3.647 568 HD22 LEU 72 2HD2 LEU 72 5.852 1.924 2.450 569 HD23 LEU 72 3HD2 LEU 72 6.939 3.309 2.352 570 H ALA 73 H ALA 73 12.026 2.658 0.903 571 HA ALA 73 HA ALA 73 13.427 2.974 3.366 572 HB1 ALA 73 1HB ALA 73 15.393 2.382 2.124 573 HB2 ALA 73 2HB ALA 73 14.552 2.668 0.599 574 HB3 ALA 73 3HB ALA 73 14.050 1.340 1.647 575 H HIS 74 H HIS 74 12.098 5.380 2.600 576 HA HIS 74 HA HIS 74 13.813 7.340 1.522 577 HB2 HIS 74 1HB HIS 74 11.347 7.625 1.858 578 HB3 HIS 74 2HB HIS 74 11.631 7.733 3.593 579 HD1 HIS 74 HD1 HIS 74 12.727 9.914 4.483 580 HD2 HIS 74 HD2 HIS 74 11.960 9.932 0.396 581 HE1 HIS 74 HE1 HIS 74 12.946 12.313 3.765 582 HE2 HIS 74 HE2 HIS 74 12.383 12.315 1.312 583 H GLY 75 H GLY 75 15.876 7.033 2.436 584 HA2 GLY 75 1HA GLY 75 17.536 7.844 3.834 585 HA3 GLY 75 2HA GLY 75 16.289 8.503 4.882 586 H ARG 76 H ARG 76 16.485 5.143 3.865 587 HA ARG 76 HA ARG 76 17.497 4.350 6.478 588 HB2 ARG 76 1HB ARG 76 14.713 3.961 5.560 589 HB3 ARG 76 2HB ARG 76 15.467 2.573 6.338 590 HG2 ARG 76 1HG ARG 76 16.036 4.097 8.250 591 HG3 ARG 76 2HG ARG 76 15.019 5.319 7.486 592 HD2 ARG 76 1HD ARG 76 13.142 3.719 7.542 593 HD3 ARG 76 2HD ARG 76 14.164 2.590 8.424 594 HE ARG 76 HE ARG 76 14.012 5.150 9.685 595 HH11 ARG 76 1HH1 ARG 76 12.403 2.069 9.312 596 HH12 ARG 76 2HH1 ARG 76 11.495 2.214 10.784 597 HH21 ARG 76 1HH2 ARG 76 12.821 5.357 11.624 598 HH22 ARG 76 2HH2 ARG 76 11.735 4.090 12.102 599 H ASP 77 H ASP 77 17.751 1.905 6.575 600 HA ASP 77 HA ASP 77 19.367 0.990 4.499 601 HB2 ASP 77 1HB ASP 77 17.875 -0.647 6.551 602 HB3 ASP 77 2HB ASP 77 19.235 -1.207 5.589 603 H ALA 78 H ALA 78 18.670 0.788 2.510 604 HA ALA 78 HA ALA 78 16.087 0.192 1.643 605 HB1 ALA 78 1HB ALA 78 17.088 -0.151 -0.535 606 HB2 ALA 78 2HB ALA 78 18.684 -0.289 0.200 607 HB3 ALA 78 3HB ALA 78 17.815 1.244 0.262 608 H GLU 79 H GLU 79 18.808 -1.898 2.375 609 HA GLU 79 HA GLU 79 17.758 -4.265 1.252 610 HB2 GLU 79 1HB GLU 79 19.768 -3.856 3.460 611 HB3 GLU 79 2HB GLU 79 19.391 -5.423 2.757 612 HG2 GLU 79 1HG GLU 79 20.062 -4.502 0.541 613 HG3 GLU 79 2HG GLU 79 20.611 -3.049 1.373 614 H GLU 80 H GLU 80 17.660 -2.998 4.573 615 HA GLU 80 HA GLU 80 16.192 -5.057 5.760 616 HB2 GLU 80 1HB GLU 80 17.291 -3.266 7.016 617 HB3 GLU 80 2HB GLU 80 16.167 -2.100 6.345 618 HG2 GLU 80 1HG GLU 80 14.329 -3.204 7.484 619 HG3 GLU 80 2HG GLU 80 15.445 -4.384 8.151 620 H VAL 81 H VAL 81 15.129 -2.059 4.223 621 HA VAL 81 HA VAL 81 12.383 -2.352 4.533 622 HB VAL 81 HB VAL 81 13.990 -0.947 2.409 623 HG11 VAL 81 1HG1 VAL 81 11.944 0.337 1.936 624 HG12 VAL 81 2HG1 VAL 81 11.038 -0.748 2.996 625 HG13 VAL 81 3HG1 VAL 81 11.770 -1.368 1.516 626 HG21 VAL 81 1HG2 VAL 81 12.635 -0.045 4.933 627 HG22 VAL 81 2HG2 VAL 81 13.365 1.030 3.743 628 HG23 VAL 81 3HG2 VAL 81 14.369 -0.122 4.616 629 H ARG 82 H ARG 82 14.443 -3.288 1.782 630 HA ARG 82 HA ARG 82 12.554 -4.438 0.129 631 HB2 ARG 82 1HB ARG 82 14.938 -4.020 -0.421 632 HB3 ARG 82 2HB ARG 82 15.378 -5.402 0.573 633 HG2 ARG 82 1HG ARG 82 14.177 -6.884 -0.878 634 HG3 ARG 82 2HG ARG 82 13.588 -5.525 -1.830 635 HD2 ARG 82 1HD ARG 82 16.488 -6.248 -1.488 636 HD3 ARG 82 2HD ARG 82 15.498 -6.712 -2.869 637 HE ARG 82 HE ARG 82 15.261 -4.332 -3.370 638 HH11 ARG 82 1HH1 ARG 82 17.871 -5.261 -1.208 639 HH12 ARG 82 2HH1 ARG 82 18.836 -3.865 -1.585 640 HH21 ARG 82 1HH2 ARG 82 16.527 -2.501 -3.850 641 HH22 ARG 82 2HH2 ARG 82 18.065 -2.295 -3.073 642 H THR 83 H THR 83 14.351 -5.924 2.798 643 HA THR 83 HA THR 83 13.437 -8.578 2.396 644 HB THR 83 HB THR 83 14.163 -7.457 5.101 645 HG1 THR 83 HG1 THR 83 15.845 -6.754 3.785 646 HG21 THR 83 1HG2 THR 83 13.405 -9.759 5.028 647 HG22 THR 83 2HG2 THR 83 15.125 -9.689 5.408 648 HG23 THR 83 3HG2 THR 83 14.598 -10.134 3.785 649 H GLU 84 H GLU 84 12.299 -6.002 4.568 650 HA GLU 84 HA GLU 84 10.203 -7.437 5.738 651 HB2 GLU 84 1HB GLU 84 10.619 -4.494 5.309 652 HB3 GLU 84 2HB GLU 84 9.193 -5.125 6.116 653 HG2 GLU 84 1HG GLU 84 12.020 -5.626 6.986 654 HG3 GLU 84 2HG GLU 84 10.954 -4.405 7.674 655 H VAL 85 H VAL 85 10.220 -5.386 2.827 656 HA VAL 85 HA VAL 85 7.516 -5.557 2.177 657 HB VAL 85 HB VAL 85 9.970 -5.274 0.449 658 HG11 VAL 85 1HG1 VAL 85 8.297 -6.381 -0.910 659 HG12 VAL 85 2HG1 VAL 85 8.455 -4.695 -1.409 660 HG13 VAL 85 3HG1 VAL 85 7.082 -5.200 -0.419 661 HG21 VAL 85 1HG2 VAL 85 9.134 -2.983 0.190 662 HG22 VAL 85 2HG2 VAL 85 9.431 -3.395 1.880 663 HG23 VAL 85 3HG2 VAL 85 7.780 -3.366 1.254 664 H LEU 86 H LEU 86 10.200 -7.643 1.097 665 HA LEU 86 HA LEU 86 8.723 -9.384 -0.498 666 HB2 LEU 86 1HB LEU 86 11.259 -9.825 1.079 667 HB3 LEU 86 2HB LEU 86 10.612 -10.984 -0.081 668 HG LEU 86 HG LEU 86 11.296 -8.158 -0.841 669 HD11 LEU 86 1HD1 LEU 86 13.418 -9.022 -1.672 670 HD12 LEU 86 2HD1 LEU 86 13.038 -10.611 -1.012 671 HD13 LEU 86 3HD1 LEU 86 13.287 -9.244 0.073 672 HD21 LEU 86 1HD2 LEU 86 11.417 -9.170 -3.090 673 HD22 LEU 86 2HD2 LEU 86 9.816 -9.303 -2.364 674 HD23 LEU 86 3HD2 LEU 86 10.887 -10.704 -2.399 675 H LYS 87 H LYS 87 9.171 -9.277 2.944 676 HA LYS 87 HA LYS 87 8.247 -11.901 3.557 677 HB2 LYS 87 1HB LYS 87 9.602 -10.504 5.090 678 HB3 LYS 87 2HB LYS 87 8.246 -9.399 5.252 679 HG2 LYS 87 1HG LYS 87 6.912 -11.203 6.244 680 HG3 LYS 87 2HG LYS 87 8.318 -12.279 6.124 681 HD2 LYS 87 1HD LYS 87 8.176 -11.381 8.366 682 HD3 LYS 87 2HD LYS 87 9.588 -10.709 7.551 683 HE2 LYS 87 1HE LYS 87 8.214 -8.691 7.008 684 HE3 LYS 87 2HE LYS 87 6.937 -9.359 8.024 685 HZ1 LYS 87 1HZ LYS 87 8.514 -9.346 9.884 686 HZ2 LYS 87 2HZ LYS 87 8.250 -7.796 9.264 687 HZ3 LYS 87 3HZ LYS 87 9.680 -8.617 8.890 688 H CYS 88 H CYS 88 6.693 -9.015 2.612 689 HA CYS 88 HA CYS 88 4.107 -9.968 3.610 690 HB2 CYS 88 1HB CYS 88 5.178 -7.264 2.938 691 HB3 CYS 88 2HB CYS 88 3.430 -7.553 2.807 692 H VAL 89 H VAL 89 5.998 -9.706 0.806 693 HA VAL 89 HA VAL 89 3.921 -9.557 -1.125 694 HB VAL 89 HB VAL 89 6.700 -10.721 -1.366 695 HG11 VAL 89 1HG1 VAL 89 6.331 -10.407 -3.807 696 HG12 VAL 89 2HG1 VAL 89 4.640 -10.033 -3.454 697 HG13 VAL 89 3HG1 VAL 89 5.286 -11.630 -3.083 698 HG21 VAL 89 1HG2 VAL 89 5.595 -8.000 -2.055 699 HG22 VAL 89 2HG2 VAL 89 7.185 -8.586 -2.548 700 HG23 VAL 89 3HG2 VAL 89 6.813 -8.381 -0.837 701 H ASP 90 H ASP 90 2.531 -11.059 -1.706 702 HA ASP 90 HA ASP 90 3.094 -13.877 -1.209 703 HB2 ASP 90 1HB ASP 90 1.823 -12.735 0.745 704 HB3 ASP 90 2HB ASP 90 0.456 -12.701 -0.371 705 H LYS 91 H LYS 91 1.238 -15.229 -2.182 706 HA LYS 91 HA LYS 91 0.897 -14.252 -4.905 707 HB2 LYS 91 1HB LYS 91 0.160 -16.976 -3.849 708 HB3 LYS 91 2HB LYS 91 0.446 -16.494 -5.514 709 HG2 LYS 91 1HG LYS 91 2.530 -16.573 -3.359 710 HG3 LYS 91 2HG LYS 91 2.290 -17.798 -4.603 711 HD2 LYS 91 1HD LYS 91 2.994 -14.905 -5.093 712 HD3 LYS 91 2HD LYS 91 4.122 -16.258 -5.161 713 HE2 LYS 91 1HE LYS 91 2.778 -17.243 -6.981 714 HE3 LYS 91 2HE LYS 91 1.723 -15.834 -6.937 715 HZ1 LYS 91 1HZ LYS 91 4.614 -15.837 -7.605 716 HZ2 LYS 91 2HZ LYS 91 3.654 -14.451 -7.482 717 HZ3 LYS 91 3HZ LYS 91 3.333 -15.597 -8.685 718 H ASN 92 H ASN 92 -1.084 -14.365 -6.019 719 HA ASN 92 HA ASN 92 -3.303 -13.446 -4.404 720 HB2 ASN 92 1HB ASN 92 -2.634 -12.363 -6.559 721 HB3 ASN 92 2HB ASN 92 -3.125 -13.826 -7.394 722 HD21 ASN 92 1HD2 ASN 92 -4.528 -12.442 -8.581 723 HD22 ASN 92 2HD2 ASN 92 -6.070 -11.998 -7.931 724 H THR 93 H THR 93 -3.298 -15.676 -3.398 725 HA THR 93 HA THR 93 -4.499 -17.821 -4.885 726 HB THR 93 HB THR 93 -4.645 -18.941 -2.668 727 HG1 THR 93 HG1 THR 93 -3.317 -17.586 -1.026 728 HG21 THR 93 1HG2 THR 93 -2.230 -19.095 -2.273 729 HG22 THR 93 2HG2 THR 93 -1.981 -17.675 -3.289 730 HG23 THR 93 3HG2 THR 93 -2.621 -19.160 -3.990 731 H ASP 94 H ASP 94 -5.621 -15.165 -2.959 732 HA ASP 94 HA ASP 94 -8.225 -16.309 -2.475 733 HB2 ASP 94 1HB ASP 94 -8.762 -14.197 -1.399 734 HB3 ASP 94 2HB ASP 94 -7.184 -14.767 -0.847 735 H ASN 95 H ASN 95 -6.705 -14.598 -4.960 736 HA ASN 95 HA ASN 95 -7.336 -14.222 -7.083 737 HB2 ASN 95 1HB ASN 95 -8.468 -16.400 -6.803 738 HB3 ASN 95 2HB ASN 95 -9.926 -15.559 -6.322 739 HD21 ASN 95 1HD2 ASN 95 -11.108 -16.399 -7.983 740 HD22 ASN 95 2HD2 ASN 95 -10.898 -15.900 -9.632 741 H ASN 96 H ASN 96 -7.753 -12.149 -5.158 742 HA ASN 96 HA ASN 96 -9.532 -10.586 -6.866 743 HB2 ASN 96 1HB ASN 96 -10.987 -11.042 -5.020 744 HB3 ASN 96 2HB ASN 96 -9.723 -10.673 -3.847 745 HD21 ASN 96 1HD2 ASN 96 -11.107 -9.159 -2.857 746 HD22 ASN 96 2HD2 ASN 96 -11.431 -7.616 -3.571 747 H ALA 97 H ALA 97 -8.279 -9.055 -7.685 748 HA ALA 97 HA ALA 97 -5.682 -8.575 -6.705 749 HB1 ALA 97 1HB ALA 97 -7.174 -6.908 -8.714 750 HB2 ALA 97 2HB ALA 97 -6.347 -8.419 -9.084 751 HB3 ALA 97 3HB ALA 97 -5.427 -7.029 -8.509 752 H CYS 98 H CYS 98 -8.708 -6.776 -6.282 753 HA CYS 98 HA CYS 98 -7.570 -4.471 -5.089 754 HB2 CYS 98 1HB CYS 98 -10.236 -5.777 -4.479 755 HB3 CYS 98 2HB CYS 98 -9.741 -4.180 -3.938 756 H HIS 99 H HIS 99 -8.358 -7.654 -3.818 757 HA HIS 99 HA HIS 99 -7.744 -6.855 -1.103 758 HB2 HIS 99 1HB HIS 99 -9.522 -8.491 -1.534 759 HB3 HIS 99 2HB HIS 99 -8.353 -9.578 -2.272 760 HD1 HIS 99 HD1 HIS 99 -7.697 -11.387 -0.774 761 HD2 HIS 99 HD2 HIS 99 -8.599 -7.916 1.331 762 HE1 HIS 99 HE1 HIS 99 -7.386 -11.963 1.663 763 HE2 HIS 99 HE2 HIS 99 -8.149 -9.908 2.910 764 H TRP 100 H TRP 100 -6.171 -8.310 -3.797 765 HA TRP 100 HA TRP 100 -3.982 -9.509 -2.508 766 HB2 TRP 100 1HB TRP 100 -4.606 -9.854 -4.899 767 HB3 TRP 100 2HB TRP 100 -4.050 -8.221 -5.256 768 HD1 TRP 100 HD1 TRP 100 -1.705 -9.795 -2.867 769 HE1 TRP 100 HE1 TRP 100 0.374 -10.676 -4.097 770 HE3 TRP 100 HE3 TRP 100 -3.418 -9.498 -7.680 771 HZ2 TRP 100 HZ2 TRP 100 1.181 -11.188 -6.753 772 HZ3 TRP 100 HZ3 TRP 100 -1.929 -10.203 -9.506 773 HH2 TRP 100 HH2 TRP 100 0.318 -11.031 -9.056 774 H ALA 101 H ALA 101 -4.272 -6.315 -4.056 775 HA ALA 101 HA ALA 101 -1.811 -5.280 -3.179 776 HB1 ALA 101 1HB ALA 101 -4.358 -3.811 -3.859 777 HB2 ALA 101 2HB ALA 101 -3.096 -4.281 -4.996 778 HB3 ALA 101 3HB ALA 101 -2.753 -3.088 -3.741 779 H PHE 102 H PHE 102 -5.011 -5.329 -1.749 780 HA PHE 102 HA PHE 102 -4.466 -3.572 0.381 781 HB2 PHE 102 1HB PHE 102 -6.729 -4.070 -0.363 782 HB3 PHE 102 2HB PHE 102 -6.558 -5.737 0.174 783 HD1 PHE 102 HD1 PHE 102 -6.505 -2.232 1.383 784 HD2 PHE 102 HD2 PHE 102 -7.164 -6.322 2.361 785 HE1 PHE 102 HE1 PHE 102 -7.339 -1.564 3.599 786 HE2 PHE 102 HE2 PHE 102 -8.001 -5.661 4.577 787 HZ PHE 102 HZ PHE 102 -8.088 -3.277 5.201 788 H ARG 103 H ARG 103 -4.036 -7.009 -0.075 789 HA ARG 103 HA ARG 103 -3.663 -7.636 2.689 790 HB2 ARG 103 1HB ARG 103 -4.445 -9.283 0.991 791 HB3 ARG 103 2HB ARG 103 -2.844 -9.235 0.267 792 HG2 ARG 103 1HG ARG 103 -1.848 -10.299 2.054 793 HG3 ARG 103 2HG ARG 103 -3.165 -9.905 3.149 794 HD2 ARG 103 1HD ARG 103 -2.954 -12.321 2.340 795 HD3 ARG 103 2HD ARG 103 -4.542 -11.573 2.289 796 HE ARG 103 HE ARG 103 -4.285 -11.345 -0.098 797 HH11 ARG 103 1HH1 ARG 103 -1.926 -13.376 1.489 798 HH12 ARG 103 2HH1 ARG 103 -1.522 -14.264 0.052 799 HH21 ARG 103 1HH2 ARG 103 -3.831 -12.560 -1.978 800 HH22 ARG 103 2HH2 ARG 103 -2.598 -13.786 -1.924 801 H GLY 104 H GLY 104 -1.545 -6.901 -0.035 802 HA2 GLY 104 1HA GLY 104 0.919 -7.341 1.305 803 HA3 GLY 104 2HA GLY 104 0.676 -6.283 -0.091 804 H PHE 105 H PHE 105 -1.128 -4.478 0.940 805 HA PHE 105 HA PHE 105 0.567 -2.683 2.270 806 HB2 PHE 105 1HB PHE 105 -1.105 -1.789 0.852 807 HB3 PHE 105 2HB PHE 105 -2.379 -2.661 1.688 808 HD1 PHE 105 HD1 PHE 105 0.379 -0.481 2.918 809 HD2 PHE 105 HD2 PHE 105 -3.824 -1.098 2.607 810 HE1 PHE 105 HE1 PHE 105 -0.021 1.519 4.295 811 HE2 PHE 105 HE2 PHE 105 -4.223 0.892 3.989 812 HZ PHE 105 HZ PHE 105 -2.321 2.204 4.837 813 H LYS 106 H LYS 106 -2.227 -4.544 3.390 814 HA LYS 106 HA LYS 106 -2.299 -3.501 5.984 815 HB2 LYS 106 1HB LYS 106 -4.265 -4.532 5.397 816 HB3 LYS 106 2HB LYS 106 -3.467 -5.931 4.678 817 HG2 LYS 106 1HG LYS 106 -2.845 -6.627 7.001 818 HG3 LYS 106 2HG LYS 106 -3.849 -5.300 7.596 819 HD2 LYS 106 1HD LYS 106 -5.792 -6.287 6.431 820 HD3 LYS 106 2HD LYS 106 -4.775 -7.633 5.913 821 HE2 LYS 106 1HE LYS 106 -4.329 -8.133 8.312 822 HE3 LYS 106 2HE LYS 106 -5.493 -6.882 8.744 823 HZ1 LYS 106 1HZ LYS 106 -7.197 -8.141 7.530 824 HZ2 LYS 106 2HZ LYS 106 -6.524 -9.033 8.804 825 HZ3 LYS 106 3HZ LYS 106 -6.062 -9.359 7.213 826 H CYS 107 H CYS 107 -0.654 -6.323 4.639 827 HA CYS 107 HA CYS 107 0.232 -7.482 7.010 828 HB2 CYS 107 1HB CYS 107 0.390 -8.759 5.030 829 HB3 CYS 107 2HB CYS 107 1.320 -7.524 4.195 830 H PHE 108 H PHE 108 1.684 -4.999 4.971 831 HA PHE 108 HA PHE 108 4.179 -5.001 6.359 832 HB2 PHE 108 1HB PHE 108 3.792 -4.400 3.934 833 HB3 PHE 108 2HB PHE 108 3.123 -2.872 4.506 834 HD1 PHE 108 HD1 PHE 108 4.590 -1.225 5.603 835 HD2 PHE 108 HD2 PHE 108 6.123 -4.825 3.928 836 HE1 PHE 108 HE1 PHE 108 6.857 -0.275 5.638 837 HE2 PHE 108 HE2 PHE 108 8.387 -3.880 3.966 838 HZ PHE 108 HZ PHE 108 8.759 -1.605 4.816 839 H GLN 109 H GLN 109 1.414 -2.763 6.222 840 HA GLN 109 HA GLN 109 2.478 -0.865 8.007 841 HB2 GLN 109 1HB GLN 109 0.236 0.046 8.114 842 HB3 GLN 109 2HB GLN 109 0.657 -0.358 6.459 843 HG2 GLN 109 1HG GLN 109 -1.392 -1.254 6.433 844 HG3 GLN 109 2HG GLN 109 -0.601 -2.622 7.220 845 HE21 GLN 109 1HE2 GLN 109 -2.666 0.128 7.656 846 HE22 GLN 109 2HE2 GLN 109 -3.249 -0.308 9.222 847 H LYS 110 H LYS 110 1.080 -3.933 8.553 848 HA LYS 110 HA LYS 110 0.110 -3.584 11.177 849 HB2 LYS 110 1HB LYS 110 -0.471 -5.508 9.780 850 HB3 LYS 110 2HB LYS 110 1.203 -6.025 9.770 851 HG2 LYS 110 1HG LYS 110 1.128 -6.449 12.142 852 HG3 LYS 110 2HG LYS 110 -0.547 -5.895 12.203 853 HD2 LYS 110 1HD LYS 110 -1.251 -7.710 10.784 854 HD3 LYS 110 2HD LYS 110 0.419 -8.198 10.507 855 HE2 LYS 110 1HE LYS 110 0.628 -8.720 12.918 856 HE3 LYS 110 2HE LYS 110 -1.077 -8.316 13.127 857 HZ1 LYS 110 1HZ LYS 110 -0.024 -10.472 11.379 858 HZ2 LYS 110 2HZ LYS 110 -1.652 -10.094 11.607 859 HZ3 LYS 110 3HZ LYS 110 -0.740 -10.697 12.893 860 H ASN 111 H ASN 111 3.293 -4.054 9.841 861 HA ASN 111 HA ASN 111 4.398 -4.378 12.556 862 HB2 ASN 111 1HB ASN 111 5.664 -5.183 9.930 863 HB3 ASN 111 2HB ASN 111 6.315 -5.464 11.540 864 HD21 ASN 111 1HD2 ASN 111 5.520 -7.300 9.341 865 HD22 ASN 111 2HD2 ASN 111 4.441 -8.428 10.076 866 H ASN 112 H ASN 112 4.571 -2.560 9.569 867 HA ASN 112 HA ASN 112 6.605 -0.803 10.763 868 HB2 ASN 112 1HB ASN 112 6.682 -1.920 7.947 869 HB3 ASN 112 2HB ASN 112 7.794 -0.720 8.611 870 HD21 ASN 112 1HD2 ASN 112 7.917 -3.635 7.618 871 HD22 ASN 112 2HD2 ASN 112 8.903 -4.415 8.811 872 H LEU 113 H LEU 113 4.453 0.358 11.063 873 HA LEU 113 HA LEU 113 3.318 1.471 8.641 874 HB2 LEU 113 1HB LEU 113 1.750 0.845 10.312 875 HB3 LEU 113 2HB LEU 113 2.586 1.768 11.543 876 HG LEU 113 HG LEU 113 1.952 3.848 10.326 877 HD11 LEU 113 1HD1 LEU 113 0.301 3.767 8.580 878 HD12 LEU 113 2HD1 LEU 113 0.234 2.010 8.679 879 HD13 LEU 113 3HD1 LEU 113 1.701 2.803 8.107 880 HD21 LEU 113 1HD2 LEU 113 -0.407 3.793 10.991 881 HD22 LEU 113 2HD2 LEU 113 0.632 3.052 12.209 882 HD23 LEU 113 3HD2 LEU 113 -0.318 2.035 11.128 883 H SER 114 H SER 114 5.369 2.503 11.288 884 HA SER 114 HA SER 114 5.174 5.285 10.798 885 HB2 SER 114 1HB SER 114 7.428 3.739 12.095 886 HB3 SER 114 2HB SER 114 7.181 5.483 12.195 887 HG SER 114 HG SER 114 6.320 4.039 13.959 888 H LEU 115 H LEU 115 7.181 2.757 9.443 889 HA LEU 115 HA LEU 115 8.974 4.386 8.009 890 HB2 LEU 115 1HB LEU 115 9.266 1.967 8.342 891 HB3 LEU 115 2HB LEU 115 7.887 1.663 7.304 892 HG LEU 115 HG LEU 115 9.131 2.699 5.417 893 HD11 LEU 115 1HD1 LEU 115 10.609 4.136 6.667 894 HD12 LEU 115 2HD1 LEU 115 11.561 3.011 5.696 895 HD13 LEU 115 3HD1 LEU 115 11.365 2.738 7.428 896 HD21 LEU 115 1HD2 LEU 115 9.120 0.264 5.782 897 HD22 LEU 115 2HD2 LEU 115 10.579 0.419 6.760 898 HD23 LEU 115 3HD2 LEU 115 10.619 0.826 5.044 899 H ILE 116 H ILE 116 5.728 3.255 7.380 900 HA ILE 116 HA ILE 116 5.569 4.059 4.673 901 HB ILE 116 HB ILE 116 3.346 3.669 6.694 902 HG12 ILE 116 1HG1 ILE 116 4.543 1.780 4.650 903 HG13 ILE 116 2HG1 ILE 116 4.700 1.655 6.408 904 HG21 ILE 116 1HG2 ILE 116 2.608 4.995 4.785 905 HG22 ILE 116 2HG2 ILE 116 1.893 3.381 4.741 906 HG23 ILE 116 3HG2 ILE 116 3.246 3.774 3.682 907 HD11 ILE 116 1HD1 ILE 116 3.069 0.083 5.677 908 HD12 ILE 116 2HD1 ILE 116 2.214 1.315 4.756 909 HD13 ILE 116 3HD1 ILE 116 2.226 1.384 6.517 910 H LYS 117 H LYS 117 4.712 5.602 7.734 911 HA LYS 117 HA LYS 117 3.608 7.957 6.651 912 HB2 LYS 117 1HB LYS 117 4.915 7.411 9.311 913 HB3 LYS 117 2HB LYS 117 4.145 8.938 8.915 914 HG2 LYS 117 1HG LYS 117 2.013 7.806 8.609 915 HG3 LYS 117 2HG LYS 117 2.767 6.251 8.949 916 HD2 LYS 117 1HD LYS 117 3.329 7.020 11.209 917 HD3 LYS 117 2HD LYS 117 2.590 8.581 10.867 918 HE2 LYS 117 1HE LYS 117 0.424 7.580 10.660 919 HE3 LYS 117 2HE LYS 117 1.108 5.960 10.747 920 HZ1 LYS 117 1HZ LYS 117 1.113 7.972 12.931 921 HZ2 LYS 117 2HZ LYS 117 1.819 6.438 13.018 922 HZ3 LYS 117 3HZ LYS 117 0.143 6.588 12.854 923 H ALA 118 H ALA 118 6.889 7.056 7.569 924 HA ALA 118 HA ALA 118 8.019 9.645 7.200 925 HB1 ALA 118 1HB ALA 118 10.147 8.518 7.465 926 HB2 ALA 118 2HB ALA 118 9.355 6.953 7.271 927 HB3 ALA 118 3HB ALA 118 8.990 7.958 8.672 928 H SER 119 H SER 119 7.580 6.854 5.118 929 HA SER 119 HA SER 119 9.435 7.534 3.140 930 HB2 SER 119 1HB SER 119 8.257 5.969 1.697 931 HB3 SER 119 2HB SER 119 8.376 5.310 3.326 932 HG SER 119 HG SER 119 6.203 6.031 3.661 933 H ILE 120 H ILE 120 6.071 8.497 3.559 934 HA ILE 120 HA ILE 120 6.114 9.990 1.058 935 HB ILE 120 HB ILE 120 3.754 10.517 1.557 936 HG12 ILE 120 1HG1 ILE 120 4.004 8.655 3.916 937 HG13 ILE 120 2HG1 ILE 120 4.094 10.408 4.076 938 HG21 ILE 120 1HG2 ILE 120 4.312 8.526 0.278 939 HG22 ILE 120 2HG2 ILE 120 2.883 8.254 1.275 940 HG23 ILE 120 3HG2 ILE 120 4.443 7.595 1.770 941 HD11 ILE 120 1HD1 ILE 120 1.763 8.860 2.978 942 HD12 ILE 120 2HD1 ILE 120 1.854 10.611 3.148 943 HD13 ILE 120 3HD1 ILE 120 1.870 9.584 4.582 944 H LYS 121 H LYS 121 7.245 10.557 4.051 945 HA LYS 121 HA LYS 121 6.281 13.284 4.302 946 HB2 LYS 121 1HB LYS 121 6.522 11.894 6.314 947 HB3 LYS 121 2HB LYS 121 8.243 11.736 5.999 948 HG2 LYS 121 1HG LYS 121 8.524 14.147 6.277 949 HG3 LYS 121 2HG LYS 121 6.794 14.314 6.572 950 HD2 LYS 121 1HD LYS 121 8.660 12.652 8.257 951 HD3 LYS 121 2HD LYS 121 8.170 14.303 8.642 952 HE2 LYS 121 1HE LYS 121 6.360 11.904 8.378 953 HE3 LYS 121 2HE LYS 121 6.823 12.708 9.877 954 HZ1 LYS 121 1HZ LYS 121 5.722 14.726 9.048 955 HZ2 LYS 121 2HZ LYS 121 4.651 13.430 9.215 956 HZ3 LYS 121 3HZ LYS 121 5.200 13.877 7.681 957 H LYS 122 H LYS 122 7.275 14.946 3.436 958 HA LYS 122 HA LYS 122 9.788 14.681 2.066 959 HB2 LYS 122 1HB LYS 122 8.836 17.405 2.584 960 HB3 LYS 122 2HB LYS 122 9.269 16.640 1.081 961 HG2 LYS 122 1HG LYS 122 7.092 15.502 1.021 962 HG3 LYS 122 2HG LYS 122 6.631 16.356 2.492 963 HD2 LYS 122 1HD LYS 122 7.458 17.728 -0.060 964 HD3 LYS 122 2HD LYS 122 5.782 17.387 0.376 965 HE2 LYS 122 1HE LYS 122 6.046 18.730 2.408 966 HE3 LYS 122 2HE LYS 122 7.715 19.074 1.960 967 HZ1 LYS 122 1HZ LYS 122 5.421 19.770 0.218 968 HZ2 LYS 122 2HZ LYS 122 7.018 20.328 0.116 969 HZ3 LYS 122 3HZ LYS 122 6.030 20.828 1.394 970 H ASP 123 H ASP 123 11.753 15.493 2.611 971 HA ASP 123 HA ASP 123 12.340 15.592 5.378 972 HB2 ASP 123 1HB ASP 123 14.646 15.961 4.721 973 HB3 ASP 123 2HB ASP 123 13.937 14.722 3.696 974 H21 ACD 201 H21 ACD 1 -4.416 4.447 1.622 975 H22 ACD 201 H22 ACD 1 -3.174 4.908 2.793 976 H31 ACD 201 H31 ACD 1 -2.061 6.296 1.074 977 H32 ACD 201 H32 ACD 1 -3.306 5.884 -0.097 978 H41 ACD 201 H41 ACD 1 -2.643 3.524 -0.049 979 H42 ACD 201 H42 ACD 1 -1.217 4.525 -0.368 980 H5 ACD 201 H5 ACD 1 -1.758 2.901 2.154 981 H6 ACD 201 H6 ACD 1 0.391 3.723 2.804 982 H71 ACD 201 H71 ACD 1 0.715 4.984 0.171 983 H72 ACD 201 H72 ACD 1 -0.194 6.124 1.161 984 H8 ACD 201 H8 ACD 1 1.742 6.494 2.621 985 H9 ACD 201 H9 ACD 1 3.819 5.473 2.053 986 H101 ACD 201 H101 ACD 1 2.701 4.554 -0.480 987 H102 ACD 201 H102 ACD 1 2.249 3.323 0.704 988 H11 ACD 201 H11 ACD 1 5.207 4.179 0.535 989 H12 ACD 201 H12 ACD 1 5.528 1.849 0.224 990 H131 ACD 201 H131 ACD 1 2.547 1.887 -0.466 991 H132 ACD 201 H132 ACD 1 3.647 0.513 -0.615 992 H14 ACD 201 H14 ACD 1 2.555 1.506 2.113 993 H15 ACD 201 H15 ACD 1 2.480 -0.836 2.518 994 H161 ACD 201 H161 ACD 1 2.631 -1.507 -0.287 995 H162 ACD 201 H162 ACD 1 4.294 -1.072 0.124 996 H171 ACD 201 H171 ACD 1 4.420 -2.769 1.830 997 H172 ACD 201 H172 ACD 1 2.687 -3.076 1.746 998 H181 ACD 201 H181 ACD 1 4.658 -3.598 -0.517 999 H182 ACD 201 H182 ACD 1 2.926 -3.941 -0.559 1000 H191 ACD 201 H191 ACD 1 4.968 -5.185 1.336 1001 H192 ACD 201 H192 ACD 1 3.228 -5.465 1.433 1002 H201 ACD 201 H201 ACD 1 3.272 -6.398 -0.853 1003 H202 ACD 201 H202 ACD 1 4.344 -7.264 0.193 1004 H203 ACD 201 H203 ACD 1 4.979 -6.125 -0.946 Start of MODEL 26 1 H1 MET 1 1H MET 1 18.837 13.998 -13.838 2 H2 MET 1 2H MET 1 19.595 12.999 -12.707 3 H3 MET 1 3H MET 1 18.780 14.387 -12.191 4 HA MET 1 HA MET 1 16.692 13.442 -13.021 5 HB2 MET 1 1HB MET 1 18.482 11.049 -13.463 6 HB3 MET 1 2HB MET 1 16.731 10.934 -13.371 7 HG2 MET 1 1HG MET 1 16.518 12.390 -15.306 8 HG3 MET 1 2HG MET 1 18.270 12.553 -15.385 9 HE1 MET 1 1HE MET 1 17.410 10.342 -18.520 10 HE2 MET 1 2HE MET 1 18.155 11.838 -17.954 11 HE3 MET 1 3HE MET 1 16.407 11.626 -17.845 12 H GLU 2 H GLU 2 16.716 14.241 -10.839 13 HA GLU 2 HA GLU 2 17.602 12.549 -8.698 14 HB2 GLU 2 1HB GLU 2 16.063 15.138 -8.758 15 HB3 GLU 2 2HB GLU 2 16.482 14.302 -7.273 16 HG2 GLU 2 1HG GLU 2 18.067 16.032 -7.613 17 HG3 GLU 2 2HG GLU 2 18.882 14.504 -7.921 18 H PHE 3 H PHE 3 16.437 11.225 -7.454 19 HA PHE 3 HA PHE 3 13.983 10.244 -8.487 20 HB2 PHE 3 1HB PHE 3 15.532 8.739 -7.394 21 HB3 PHE 3 2HB PHE 3 15.391 9.641 -5.882 22 HD1 PHE 3 HD1 PHE 3 13.248 7.856 -8.351 23 HD2 PHE 3 HD2 PHE 3 13.974 8.818 -4.276 24 HE1 PHE 3 HE1 PHE 3 11.388 6.391 -7.682 25 HE2 PHE 3 HE2 PHE 3 12.115 7.355 -3.595 26 HZ PHE 3 HZ PHE 3 10.820 6.139 -5.299 27 H THR 4 H THR 4 12.142 11.215 -8.308 28 HA THR 4 HA THR 4 11.538 12.818 -5.934 29 HB THR 4 HB THR 4 9.708 13.763 -7.178 30 HG1 THR 4 HG1 THR 4 9.864 11.518 -8.617 31 HG21 THR 4 1HG2 THR 4 10.913 14.903 -8.912 32 HG22 THR 4 2HG2 THR 4 12.139 13.635 -8.938 33 HG23 THR 4 3HG2 THR 4 11.961 14.662 -7.516 34 H VAL 5 H VAL 5 10.449 11.970 -4.382 35 HA VAL 5 HA VAL 5 9.112 9.401 -4.739 36 HB VAL 5 HB VAL 5 9.282 9.092 -2.481 37 HG11 VAL 5 1HG1 VAL 5 11.520 9.490 -3.295 38 HG12 VAL 5 2HG1 VAL 5 11.351 9.956 -1.606 39 HG13 VAL 5 3HG1 VAL 5 11.387 11.191 -2.859 40 HG21 VAL 5 1HG2 VAL 5 9.172 10.792 -0.757 41 HG22 VAL 5 2HG2 VAL 5 7.807 10.967 -1.860 42 HG23 VAL 5 3HG2 VAL 5 9.183 12.064 -1.978 43 H SER 6 H SER 6 6.943 9.030 -4.274 44 HA SER 6 HA SER 6 5.156 11.164 -4.839 45 HB2 SER 6 1HB SER 6 3.414 9.407 -4.145 46 HB3 SER 6 2HB SER 6 4.430 9.031 -5.534 47 HG SER 6 HG SER 6 5.051 7.329 -4.491 48 H THR 7 H THR 7 5.440 12.760 -3.353 49 HA THR 7 HA THR 7 5.743 12.353 -0.573 50 HB THR 7 HB THR 7 5.402 14.804 -0.385 51 HG1 THR 7 HG1 THR 7 4.854 14.579 -3.188 52 HG21 THR 7 1HG2 THR 7 7.618 13.925 -0.935 53 HG22 THR 7 2HG2 THR 7 7.335 15.474 -1.728 54 HG23 THR 7 3HG2 THR 7 7.219 13.979 -2.653 55 H THR 8 H THR 8 4.242 13.663 0.980 56 HA THR 8 HA THR 8 1.760 12.452 1.184 57 HB THR 8 HB THR 8 2.324 15.219 2.237 58 HG1 THR 8 HG1 THR 8 3.671 12.867 2.736 59 HG21 THR 8 1HG2 THR 8 0.093 14.337 2.651 60 HG22 THR 8 2HG2 THR 8 1.010 14.398 4.156 61 HG23 THR 8 3HG2 THR 8 0.782 12.861 3.320 62 H GLU 9 H GLU 9 2.668 15.544 -0.267 63 HA GLU 9 HA GLU 9 0.090 16.419 -0.927 64 HB2 GLU 9 1HB GLU 9 2.779 17.059 -2.124 65 HB3 GLU 9 2HB GLU 9 1.293 17.857 -2.614 66 HG2 GLU 9 1HG GLU 9 2.415 19.260 -1.049 67 HG3 GLU 9 2HG GLU 9 0.977 18.604 -0.273 68 H ASP 10 H ASP 10 2.456 14.515 -2.781 69 HA ASP 10 HA ASP 10 0.911 14.295 -5.141 70 HB2 ASP 10 1HB ASP 10 2.948 12.334 -4.047 71 HB3 ASP 10 2HB ASP 10 2.259 12.301 -5.667 72 H LEU 11 H LEU 11 1.044 12.388 -2.191 73 HA LEU 11 HA LEU 11 -0.628 10.309 -3.030 74 HB2 LEU 11 1HB LEU 11 0.767 10.084 -1.083 75 HB3 LEU 11 2HB LEU 11 -0.109 11.377 -0.254 76 HG LEU 11 HG LEU 11 -2.129 9.932 -0.286 77 HD11 LEU 11 1HD1 LEU 11 -1.873 7.565 -0.826 78 HD12 LEU 11 2HD1 LEU 11 -0.221 7.870 -1.367 79 HD13 LEU 11 3HD1 LEU 11 -1.583 8.587 -2.229 80 HD21 LEU 11 1HD2 LEU 11 -1.423 8.495 1.500 81 HD22 LEU 11 2HD2 LEU 11 -0.542 10.017 1.633 82 HD23 LEU 11 3HD2 LEU 11 0.257 8.589 0.972 83 H GLN 12 H GLN 12 -1.301 13.475 -1.707 84 HA GLN 12 HA GLN 12 -4.044 13.064 -1.143 85 HB2 GLN 12 1HB GLN 12 -2.458 15.567 -1.668 86 HB3 GLN 12 2HB GLN 12 -4.159 15.587 -1.232 87 HG2 GLN 12 1HG GLN 12 -3.631 14.484 0.882 88 HG3 GLN 12 2HG GLN 12 -1.925 14.465 0.442 89 HE21 GLN 12 1HE2 GLN 12 -3.281 15.713 2.703 90 HE22 GLN 12 2HE2 GLN 12 -2.880 17.394 2.626 91 H ARG 13 H ARG 13 -2.336 13.538 -4.046 92 HA ARG 13 HA ARG 13 -4.494 14.583 -5.607 93 HB2 ARG 13 1HB ARG 13 -2.150 14.912 -6.243 94 HB3 ARG 13 2HB ARG 13 -1.948 13.177 -6.434 95 HG2 ARG 13 1HG ARG 13 -3.610 13.205 -8.248 96 HG3 ARG 13 2HG ARG 13 -3.723 14.966 -8.078 97 HD2 ARG 13 1HD ARG 13 -1.279 13.373 -8.843 98 HD3 ARG 13 2HD ARG 13 -2.237 14.406 -9.902 99 HE ARG 13 HE ARG 13 -1.421 16.040 -7.856 100 HH11 ARG 13 1HH1 ARG 13 0.181 14.026 -10.230 101 HH12 ARG 13 2HH1 ARG 13 1.586 15.037 -10.320 102 HH21 ARG 13 1HH2 ARG 13 0.434 17.359 -7.963 103 HH22 ARG 13 2HH2 ARG 13 1.731 16.928 -9.033 104 H TYR 14 H TYR 14 -3.121 11.386 -5.007 105 HA TYR 14 HA TYR 14 -4.803 10.086 -6.928 106 HB2 TYR 14 1HB TYR 14 -3.182 8.804 -4.724 107 HB3 TYR 14 2HB TYR 14 -3.795 8.033 -6.183 108 HD1 TYR 14 HD1 TYR 14 -3.140 9.665 -8.358 109 HD2 TYR 14 HD2 TYR 14 -0.858 9.028 -4.828 110 HE1 TYR 14 HE1 TYR 14 -1.096 10.269 -9.574 111 HE2 TYR 14 HE2 TYR 14 1.192 9.641 -6.034 112 HH TYR 14 HH TYR 14 1.143 11.098 -9.118 113 H ARG 15 H ARG 15 -5.065 10.895 -3.588 114 HA ARG 15 HA ARG 15 -7.067 9.232 -2.644 115 HB2 ARG 15 1HB ARG 15 -7.153 12.243 -2.310 116 HB3 ARG 15 2HB ARG 15 -7.844 11.027 -1.258 117 HG2 ARG 15 1HG ARG 15 -4.907 10.962 -1.647 118 HG3 ARG 15 2HG ARG 15 -5.604 12.248 -0.655 119 HD2 ARG 15 1HD ARG 15 -6.078 9.290 -0.258 120 HD3 ARG 15 2HD ARG 15 -4.979 10.290 0.700 121 HE ARG 15 HE ARG 15 -7.548 11.442 0.704 122 HH11 ARG 15 1HH1 ARG 15 -5.836 8.689 2.023 123 HH12 ARG 15 2HH1 ARG 15 -6.858 8.573 3.414 124 HH21 ARG 15 1HH2 ARG 15 -8.883 11.302 2.513 125 HH22 ARG 15 2HH2 ARG 15 -8.615 10.061 3.693 126 H THR 16 H THR 16 -7.670 12.357 -4.176 127 HA THR 16 HA THR 16 -10.389 12.123 -4.507 128 HB THR 16 HB THR 16 -8.312 13.643 -6.062 129 HG1 THR 16 HG1 THR 16 -10.228 14.389 -4.091 130 HG21 THR 16 1HG2 THR 16 -10.233 13.310 -7.531 131 HG22 THR 16 2HG2 THR 16 -10.129 14.992 -7.003 132 HG23 THR 16 3HG2 THR 16 -11.312 13.909 -6.269 133 H GLU 17 H GLU 17 -7.842 11.314 -6.851 134 HA GLU 17 HA GLU 17 -9.423 10.695 -9.003 135 HB2 GLU 17 1HB GLU 17 -7.276 10.687 -9.671 136 HB3 GLU 17 2HB GLU 17 -6.684 10.078 -8.144 137 HG2 GLU 17 1HG GLU 17 -6.115 8.455 -9.726 138 HG3 GLU 17 2HG GLU 17 -7.544 7.807 -8.919 139 H CYS 18 H CYS 18 -8.207 8.443 -6.531 140 HA CYS 18 HA CYS 18 -9.638 6.219 -7.576 141 HB2 CYS 18 1HB CYS 18 -8.267 6.630 -4.915 142 HB3 CYS 18 2HB CYS 18 -8.911 5.086 -5.498 143 H VAL 19 H VAL 19 -10.311 8.626 -5.133 144 HA VAL 19 HA VAL 19 -12.490 7.300 -3.937 145 HB VAL 19 HB VAL 19 -11.552 10.139 -3.954 146 HG11 VAL 19 1HG1 VAL 19 -13.982 10.304 -4.108 147 HG12 VAL 19 2HG1 VAL 19 -13.408 10.786 -2.509 148 HG13 VAL 19 3HG1 VAL 19 -14.148 9.200 -2.739 149 HG21 VAL 19 1HG2 VAL 19 -12.024 8.069 -1.812 150 HG22 VAL 19 2HG2 VAL 19 -11.449 9.714 -1.520 151 HG23 VAL 19 3HG2 VAL 19 -10.464 8.589 -2.458 152 H SER 20 H SER 20 -12.344 9.868 -6.360 153 HA SER 20 HA SER 20 -15.114 10.033 -6.805 154 HB2 SER 20 1HB SER 20 -13.391 11.750 -7.407 155 HB3 SER 20 2HB SER 20 -12.891 10.717 -8.743 156 HG SER 20 HG SER 20 -14.936 12.453 -8.615 157 H SER 21 H SER 21 -12.602 8.049 -8.338 158 HA SER 21 HA SER 21 -14.306 7.181 -10.471 159 HB2 SER 21 1HB SER 21 -11.644 6.143 -9.485 160 HB3 SER 21 2HB SER 21 -12.441 5.613 -10.969 161 HG SER 21 HG SER 21 -10.817 7.642 -10.710 162 H LEU 22 H LEU 22 -13.177 5.701 -7.421 163 HA LEU 22 HA LEU 22 -14.650 3.279 -8.002 164 HB2 LEU 22 1HB LEU 22 -13.005 4.136 -5.628 165 HB3 LEU 22 2HB LEU 22 -13.815 2.572 -5.740 166 HG LEU 22 HG LEU 22 -11.749 3.534 -7.715 167 HD11 LEU 22 1HD1 LEU 22 -10.220 1.990 -6.568 168 HD12 LEU 22 2HD1 LEU 22 -11.453 1.701 -5.340 169 HD13 LEU 22 3HD1 LEU 22 -10.743 3.303 -5.512 170 HD21 LEU 22 1HD2 LEU 22 -12.915 0.806 -7.188 171 HD22 LEU 22 2HD2 LEU 22 -11.697 1.210 -8.400 172 HD23 LEU 22 3HD2 LEU 22 -13.332 1.855 -8.543 173 H ASN 23 H ASN 23 -15.741 6.134 -7.179 174 HA ASN 23 HA ASN 23 -17.567 6.989 -6.121 175 HB2 ASN 23 1HB ASN 23 -18.502 4.121 -6.188 176 HB3 ASN 23 2HB ASN 23 -19.513 5.524 -5.917 177 HD21 ASN 23 1HD2 ASN 23 -19.647 3.493 -7.995 178 HD22 ASN 23 2HD2 ASN 23 -19.546 4.350 -9.497 179 H ILE 24 H ILE 24 -15.367 6.213 -4.451 180 HA ILE 24 HA ILE 24 -16.146 4.869 -2.118 181 HB ILE 24 HB ILE 24 -14.103 7.084 -2.318 182 HG12 ILE 24 1HG1 ILE 24 -13.711 5.345 -4.045 183 HG13 ILE 24 2HG1 ILE 24 -12.447 5.365 -2.820 184 HG21 ILE 24 1HG2 ILE 24 -14.323 4.746 -0.425 185 HG22 ILE 24 2HG2 ILE 24 -14.696 6.426 -0.041 186 HG23 ILE 24 3HG2 ILE 24 -13.043 5.959 -0.435 187 HD11 ILE 24 1HD1 ILE 24 -13.073 3.098 -3.461 188 HD12 ILE 24 2HD1 ILE 24 -14.733 3.409 -2.951 189 HD13 ILE 24 3HD1 ILE 24 -13.430 3.407 -1.760 190 HA PRO 25 HA PRO 25 -19.001 7.905 -0.450 191 HB2 PRO 25 1HB PRO 25 -18.588 6.366 2.025 192 HB3 PRO 25 2HB PRO 25 -20.080 6.717 1.152 193 HG2 PRO 25 1HG PRO 25 -18.974 4.273 1.165 194 HG3 PRO 25 2HG PRO 25 -19.857 4.912 -0.232 195 HD2 PRO 25 1HD PRO 25 -16.911 4.621 0.185 196 HD3 PRO 25 2HD PRO 25 -17.872 4.439 -1.305 197 H ALA 26 H ALA 26 -18.739 9.729 0.641 198 HA ALA 26 HA ALA 26 -16.214 10.750 1.187 199 HB1 ALA 26 1HB ALA 26 -17.364 12.642 2.175 200 HB2 ALA 26 2HB ALA 26 -18.845 11.692 2.307 201 HB3 ALA 26 3HB ALA 26 -18.204 12.106 0.717 202 H ASP 27 H ASP 27 -18.514 9.187 3.341 203 HA ASP 27 HA ASP 27 -17.377 9.727 5.812 204 HB2 ASP 27 1HB ASP 27 -19.488 8.552 5.585 205 HB3 ASP 27 2HB ASP 27 -18.673 7.164 4.869 206 H TYR 28 H TYR 28 -16.673 6.953 3.674 207 HA TYR 28 HA TYR 28 -14.587 5.872 5.141 208 HB2 TYR 28 1HB TYR 28 -15.288 5.822 2.225 209 HB3 TYR 28 2HB TYR 28 -13.813 5.045 2.794 210 HD1 TYR 28 HD1 TYR 28 -13.908 2.956 3.976 211 HD2 TYR 28 HD2 TYR 28 -17.492 5.017 2.975 212 HE1 TYR 28 HE1 TYR 28 -15.213 0.950 4.541 213 HE2 TYR 28 HE2 TYR 28 -18.805 3.017 3.533 214 HH TYR 28 HH TYR 28 -17.511 0.379 5.219 215 H VAL 29 H VAL 29 -14.587 8.461 2.748 216 HA VAL 29 HA VAL 29 -11.847 8.714 2.316 217 HB VAL 29 HB VAL 29 -13.927 10.893 2.307 218 HG11 VAL 29 1HG1 VAL 29 -11.707 11.838 2.380 219 HG12 VAL 29 2HG1 VAL 29 -12.368 12.022 0.754 220 HG13 VAL 29 3HG1 VAL 29 -11.177 10.761 1.088 221 HG21 VAL 29 1HG2 VAL 29 -13.981 10.459 -0.122 222 HG22 VAL 29 2HG2 VAL 29 -14.537 9.087 0.839 223 HG23 VAL 29 3HG2 VAL 29 -12.921 9.073 0.136 224 H GLU 30 H GLU 30 -13.907 10.363 4.723 225 HA GLU 30 HA GLU 30 -11.855 11.879 5.932 226 HB2 GLU 30 1HB GLU 30 -14.161 10.818 7.525 227 HB3 GLU 30 2HB GLU 30 -13.371 12.387 7.606 228 HG2 GLU 30 1HG GLU 30 -14.357 12.981 5.458 229 HG3 GLU 30 2HG GLU 30 -15.186 11.427 5.421 230 H LYS 31 H LYS 31 -13.030 8.628 6.426 231 HA LYS 31 HA LYS 31 -11.622 8.170 8.842 232 HB2 LYS 31 1HB LYS 31 -13.028 6.461 8.944 233 HB3 LYS 31 2HB LYS 31 -13.635 6.927 7.361 234 HG2 LYS 31 1HG LYS 31 -12.188 5.389 6.271 235 HG3 LYS 31 2HG LYS 31 -11.330 5.054 7.769 236 HD2 LYS 31 1HD LYS 31 -14.278 4.546 7.469 237 HD3 LYS 31 2HD LYS 31 -13.069 3.342 6.991 238 HE2 LYS 31 1HE LYS 31 -13.871 2.861 9.237 239 HE3 LYS 31 2HE LYS 31 -12.186 3.359 9.310 240 HZ1 LYS 31 1HZ LYS 31 -14.397 5.264 9.789 241 HZ2 LYS 31 2HZ LYS 31 -12.764 5.414 10.233 242 HZ3 LYS 31 3HZ LYS 31 -13.764 4.301 11.023 243 H PHE 32 H PHE 32 -10.899 7.454 5.424 244 HA PHE 32 HA PHE 32 -8.507 6.027 5.913 245 HB2 PHE 32 1HB PHE 32 -9.208 7.720 3.508 246 HB3 PHE 32 2HB PHE 32 -7.915 6.531 3.589 247 HD1 PHE 32 HD1 PHE 32 -9.453 4.390 5.091 248 HD2 PHE 32 HD2 PHE 32 -10.447 6.808 1.733 249 HE1 PHE 32 HE1 PHE 32 -10.981 2.643 4.287 250 HE2 PHE 32 HE2 PHE 32 -11.980 5.061 0.930 251 HZ PHE 32 HZ PHE 32 -12.249 2.977 2.206 252 H LYS 33 H LYS 33 -9.301 9.400 5.736 253 HA LYS 33 HA LYS 33 -6.749 10.544 5.531 254 HB2 LYS 33 1HB LYS 33 -9.175 11.567 5.494 255 HB3 LYS 33 2HB LYS 33 -8.905 11.752 7.221 256 HG2 LYS 33 1HG LYS 33 -7.003 13.154 6.850 257 HG3 LYS 33 2HG LYS 33 -7.086 12.866 5.102 258 HD2 LYS 33 1HD LYS 33 -9.302 13.925 5.046 259 HD3 LYS 33 2HD LYS 33 -9.201 14.224 6.781 260 HE2 LYS 33 1HE LYS 33 -7.279 15.666 6.442 261 HE3 LYS 33 2HE LYS 33 -7.302 15.326 4.713 262 HZ1 LYS 33 1HZ LYS 33 -8.344 17.445 5.223 263 HZ2 LYS 33 2HZ LYS 33 -9.463 16.682 6.232 264 HZ3 LYS 33 3HZ LYS 33 -9.475 16.369 4.572 265 H LYS 34 H LYS 34 -8.549 9.257 8.247 266 HA LYS 34 HA LYS 34 -6.522 10.053 10.165 267 HB2 LYS 34 1HB LYS 34 -9.096 8.497 10.473 268 HB3 LYS 34 2HB LYS 34 -8.032 8.901 11.813 269 HG2 LYS 34 1HG LYS 34 -8.385 11.290 11.333 270 HG3 LYS 34 2HG LYS 34 -9.486 10.848 10.029 271 HD2 LYS 34 1HD LYS 34 -9.850 10.130 12.937 272 HD3 LYS 34 2HD LYS 34 -10.671 11.449 12.105 273 HE2 LYS 34 1HE LYS 34 -11.727 9.852 10.595 274 HE3 LYS 34 2HE LYS 34 -10.881 8.526 11.389 275 HZ1 LYS 34 1HZ LYS 34 -13.124 8.694 12.213 276 HZ2 LYS 34 2HZ LYS 34 -12.898 10.312 12.639 277 HZ3 LYS 34 3HZ LYS 34 -12.045 9.097 13.449 278 H TRP 35 H TRP 35 -6.025 8.083 7.969 279 HA TRP 35 HA TRP 35 -5.137 6.051 7.533 280 HB2 TRP 35 1HB TRP 35 -3.984 6.610 10.261 281 HB3 TRP 35 2HB TRP 35 -3.440 5.280 9.230 282 HD1 TRP 35 HD1 TRP 35 -3.479 9.120 9.395 283 HE1 TRP 35 HE1 TRP 35 -1.622 10.032 7.860 284 HE3 TRP 35 HE3 TRP 35 -1.990 4.736 7.211 285 HZ2 TRP 35 HZ2 TRP 35 0.220 9.031 5.988 286 HZ3 TRP 35 HZ3 TRP 35 -0.177 4.806 5.559 287 HH2 TRP 35 HH2 TRP 35 0.912 6.903 4.957 288 H GLU 36 H GLU 36 -7.757 5.830 8.430 289 HA GLU 36 HA GLU 36 -7.722 3.358 10.007 290 HB2 GLU 36 1HB GLU 36 -10.084 5.056 9.200 291 HB3 GLU 36 2HB GLU 36 -10.126 3.659 10.264 292 HG2 GLU 36 1HG GLU 36 -8.720 4.876 11.861 293 HG3 GLU 36 2HG GLU 36 -8.756 6.272 10.792 294 H PHE 37 H PHE 37 -7.499 1.624 8.758 295 HA PHE 37 HA PHE 37 -8.994 1.574 6.223 296 HB2 PHE 37 1HB PHE 37 -6.422 0.084 6.807 297 HB3 PHE 37 2HB PHE 37 -7.258 0.167 5.260 298 HD1 PHE 37 HD1 PHE 37 -7.172 2.215 3.908 299 HD2 PHE 37 HD2 PHE 37 -5.065 1.895 7.596 300 HE1 PHE 37 HE1 PHE 37 -5.842 4.196 3.320 301 HE2 PHE 37 HE2 PHE 37 -3.734 3.874 7.009 302 HZ PHE 37 HZ PHE 37 -4.120 5.028 4.872 303 HA PRO 38 HA PRO 38 -10.879 -1.768 8.801 304 HB2 PRO 38 1HB PRO 38 -13.104 -1.088 6.973 305 HB3 PRO 38 2HB PRO 38 -13.103 -1.294 8.735 306 HG2 PRO 38 1HG PRO 38 -13.315 1.129 7.669 307 HG3 PRO 38 2HG PRO 38 -12.326 0.854 9.115 308 HD2 PRO 38 1HD PRO 38 -11.433 1.149 6.257 309 HD3 PRO 38 2HD PRO 38 -10.737 1.871 7.742 310 H GLU 39 H GLU 39 -11.494 -3.813 8.186 311 HA GLU 39 HA GLU 39 -10.402 -4.703 5.693 312 HB2 GLU 39 1HB GLU 39 -10.128 -5.932 7.822 313 HB3 GLU 39 2HB GLU 39 -11.854 -6.260 7.831 314 HG2 GLU 39 1HG GLU 39 -11.695 -7.684 5.971 315 HG3 GLU 39 2HG GLU 39 -10.068 -7.118 5.579 316 H ASP 40 H ASP 40 -11.757 -3.633 4.256 317 HA ASP 40 HA ASP 40 -14.267 -5.012 3.693 318 HB2 ASP 40 1HB ASP 40 -14.915 -3.037 5.083 319 HB3 ASP 40 2HB ASP 40 -14.133 -1.983 3.905 320 H ASP 41 H ASP 41 -14.828 -4.957 1.558 321 HA ASP 41 HA ASP 41 -12.705 -4.998 -0.245 322 HB2 ASP 41 1HB ASP 41 -15.621 -4.751 -0.997 323 HB3 ASP 41 2HB ASP 41 -14.324 -5.459 -1.956 324 H THR 42 H THR 42 -14.961 -2.436 0.540 325 HA THR 42 HA THR 42 -14.518 -0.711 -1.631 326 HB THR 42 HB THR 42 -14.967 0.144 1.227 327 HG1 THR 42 HG1 THR 42 -16.605 -1.243 0.963 328 HG21 THR 42 1HG2 THR 42 -16.238 1.973 0.146 329 HG22 THR 42 2HG2 THR 42 -15.740 1.348 -1.428 330 HG23 THR 42 3HG2 THR 42 -14.532 1.968 -0.303 331 H THR 43 H THR 43 -13.038 -0.656 1.601 332 HA THR 43 HA THR 43 -11.018 1.187 1.162 333 HB THR 43 HB THR 43 -10.843 -1.263 2.924 334 HG1 THR 43 HG1 THR 43 -11.618 0.524 4.479 335 HG21 THR 43 1HG2 THR 43 -9.528 1.452 3.118 336 HG22 THR 43 2HG2 THR 43 -8.727 -0.069 2.723 337 HG23 THR 43 3HG2 THR 43 -9.412 0.177 4.330 338 H MET 44 H MET 44 -11.160 -2.241 0.431 339 HA MET 44 HA MET 44 -8.399 -2.612 -0.019 340 HB2 MET 44 1HB MET 44 -10.744 -4.204 -1.040 341 HB3 MET 44 2HB MET 44 -9.071 -4.734 -1.085 342 HG2 MET 44 1HG MET 44 -8.982 -4.697 1.345 343 HG3 MET 44 2HG MET 44 -10.640 -4.111 1.407 344 HE1 MET 44 1HE MET 44 -10.945 -7.752 2.775 345 HE2 MET 44 2HE MET 44 -11.228 -6.038 3.091 346 HE3 MET 44 3HE MET 44 -9.578 -6.660 3.010 347 H CYS 45 H CYS 45 -11.116 -2.089 -2.273 348 HA CYS 45 HA CYS 45 -9.483 -2.079 -4.587 349 HB2 CYS 45 1HB CYS 45 -12.230 -0.899 -4.121 350 HB3 CYS 45 2HB CYS 45 -11.434 -0.943 -5.687 351 H TYR 46 H TYR 46 -10.426 0.398 -2.299 352 HA TYR 46 HA TYR 46 -9.538 2.640 -3.704 353 HB2 TYR 46 1HB TYR 46 -10.804 3.061 -1.774 354 HB3 TYR 46 2HB TYR 46 -9.802 2.009 -0.771 355 HD1 TYR 46 HD1 TYR 46 -9.645 5.186 -2.734 356 HD2 TYR 46 HD2 TYR 46 -8.167 2.957 0.579 357 HE1 TYR 46 HE1 TYR 46 -8.353 7.144 -1.997 358 HE2 TYR 46 HE2 TYR 46 -6.869 4.907 1.320 359 HH TYR 46 HH TYR 46 -5.989 6.946 0.540 360 H ILE 47 H ILE 47 -7.836 0.568 -1.370 361 HA ILE 47 HA ILE 47 -5.330 1.785 -1.524 362 HB ILE 47 HB ILE 47 -6.063 -1.073 -0.915 363 HG12 ILE 47 1HG1 ILE 47 -6.948 0.540 0.684 364 HG13 ILE 47 2HG1 ILE 47 -5.656 -0.391 1.432 365 HG21 ILE 47 1HG2 ILE 47 -3.395 0.295 -0.592 366 HG22 ILE 47 2HG2 ILE 47 -3.769 -1.050 -1.669 367 HG23 ILE 47 3HG2 ILE 47 -3.807 -1.284 0.080 368 HD11 ILE 47 1HD1 ILE 47 -4.121 1.525 0.961 369 HD12 ILE 47 2HD1 ILE 47 -5.421 1.874 2.100 370 HD13 ILE 47 3HD1 ILE 47 -5.534 2.444 0.435 371 H LYS 48 H LYS 48 -6.792 -0.760 -3.467 372 HA LYS 48 HA LYS 48 -4.542 -1.538 -4.929 373 HB2 LYS 48 1HB LYS 48 -6.668 -2.794 -4.851 374 HB3 LYS 48 2HB LYS 48 -7.443 -1.526 -5.778 375 HG2 LYS 48 1HG LYS 48 -5.044 -2.783 -6.970 376 HG3 LYS 48 2HG LYS 48 -6.514 -3.757 -6.889 377 HD2 LYS 48 1HD LYS 48 -7.734 -1.883 -7.997 378 HD3 LYS 48 2HD LYS 48 -6.188 -1.061 -8.200 379 HE2 LYS 48 1HE LYS 48 -5.363 -2.835 -9.594 380 HE3 LYS 48 2HE LYS 48 -6.797 -3.811 -9.273 381 HZ1 LYS 48 1HZ LYS 48 -6.920 -2.733 -11.432 382 HZ2 LYS 48 2HZ LYS 48 -6.763 -1.212 -10.713 383 HZ3 LYS 48 3HZ LYS 48 -8.137 -2.151 -10.411 384 H CYS 49 H CYS 49 -7.118 0.757 -5.786 385 HA CYS 49 HA CYS 49 -6.031 1.627 -8.191 386 HB2 CYS 49 1HB CYS 49 -8.267 2.183 -7.742 387 HB3 CYS 49 2HB CYS 49 -7.867 2.983 -6.223 388 H VAL 50 H VAL 50 -5.605 3.000 -4.923 389 HA VAL 50 HA VAL 50 -4.078 5.204 -5.687 390 HB VAL 50 HB VAL 50 -4.291 3.732 -3.072 391 HG11 VAL 50 1HG1 VAL 50 -2.095 4.801 -3.147 392 HG12 VAL 50 2HG1 VAL 50 -3.170 5.639 -2.024 393 HG13 VAL 50 3HG1 VAL 50 -2.851 6.325 -3.616 394 HG21 VAL 50 1HG2 VAL 50 -5.326 6.393 -4.010 395 HG22 VAL 50 2HG2 VAL 50 -5.588 5.683 -2.416 396 HG23 VAL 50 3HG2 VAL 50 -6.271 4.913 -3.848 397 H PHE 51 H PHE 51 -3.085 2.007 -4.520 398 HA PHE 51 HA PHE 51 -0.324 2.473 -4.564 399 HB2 PHE 51 1HB PHE 51 -2.086 0.080 -4.454 400 HB3 PHE 51 2HB PHE 51 -0.399 -0.182 -4.887 401 HD1 PHE 51 HD1 PHE 51 0.176 -1.423 -2.939 402 HD2 PHE 51 HD2 PHE 51 -1.545 2.452 -2.589 403 HE1 PHE 51 HE1 PHE 51 0.750 -1.387 -0.548 404 HE2 PHE 51 HE2 PHE 51 -0.972 2.496 -0.199 405 HZ PHE 51 HZ PHE 51 0.178 0.575 0.825 406 H ASN 52 H ASN 52 -2.605 1.598 -7.015 407 HA ASN 52 HA ASN 52 -0.721 0.810 -9.014 408 HB2 ASN 52 1HB ASN 52 -2.963 0.002 -9.230 409 HB3 ASN 52 2HB ASN 52 -3.631 1.634 -9.120 410 HD21 ASN 52 1HD2 ASN 52 -1.864 -0.601 -11.136 411 HD22 ASN 52 2HD2 ASN 52 -2.181 0.199 -12.634 412 H LYS 53 H LYS 53 -2.421 3.778 -8.195 413 HA LYS 53 HA LYS 53 -1.550 5.224 -10.482 414 HB2 LYS 53 1HB LYS 53 -2.868 5.977 -7.895 415 HB3 LYS 53 2HB LYS 53 -2.362 7.215 -9.033 416 HG2 LYS 53 1HG LYS 53 -4.103 4.970 -9.958 417 HG3 LYS 53 2HG LYS 53 -4.804 6.299 -9.040 418 HD2 LYS 53 1HD LYS 53 -5.084 6.874 -11.302 419 HD3 LYS 53 2HD LYS 53 -3.739 7.855 -10.730 420 HE2 LYS 53 1HE LYS 53 -3.308 6.938 -12.953 421 HE3 LYS 53 2HE LYS 53 -2.159 6.317 -11.778 422 HZ1 LYS 53 1HZ LYS 53 -4.566 4.874 -12.756 423 HZ2 LYS 53 2HZ LYS 53 -3.420 4.263 -11.676 424 HZ3 LYS 53 3HZ LYS 53 -2.982 4.592 -13.273 425 H MET 54 H MET 54 -0.215 4.571 -7.385 426 HA MET 54 HA MET 54 1.726 6.720 -7.533 427 HB2 MET 54 1HB MET 54 1.215 4.530 -5.527 428 HB3 MET 54 2HB MET 54 2.575 5.646 -5.398 429 HG2 MET 54 1HG MET 54 1.144 7.494 -5.135 430 HG3 MET 54 2HG MET 54 -0.270 6.562 -5.611 431 HE1 MET 54 1HE MET 54 2.165 7.604 -2.914 432 HE2 MET 54 2HE MET 54 2.685 5.918 -2.908 433 HE3 MET 54 3HE MET 54 1.803 6.579 -1.529 434 H GLN 55 H GLN 55 1.465 3.997 -9.172 435 HA GLN 55 HA GLN 55 2.818 2.546 -10.232 436 HB2 GLN 55 1HB GLN 55 4.532 4.924 -9.822 437 HB3 GLN 55 2HB GLN 55 5.340 3.442 -10.329 438 HG2 GLN 55 1HG GLN 55 4.808 4.815 -12.239 439 HG3 GLN 55 2HG GLN 55 3.857 3.336 -12.283 440 HE21 GLN 55 1HE2 GLN 55 1.649 3.441 -12.043 441 HE22 GLN 55 2HE2 GLN 55 0.770 4.928 -12.103 442 H LEU 56 H LEU 56 2.356 1.866 -7.621 443 HA LEU 56 HA LEU 56 4.959 0.912 -6.695 444 HB2 LEU 56 1HB LEU 56 2.787 2.302 -5.307 445 HB3 LEU 56 2HB LEU 56 3.395 0.890 -4.429 446 HG LEU 56 HG LEU 56 5.035 3.234 -5.404 447 HD11 LEU 56 1HD1 LEU 56 5.244 3.783 -3.015 448 HD12 LEU 56 2HD1 LEU 56 4.101 2.498 -2.634 449 HD13 LEU 56 3HD1 LEU 56 3.578 3.888 -3.581 450 HD21 LEU 56 1HD2 LEU 56 5.765 0.805 -3.784 451 HD22 LEU 56 2HD2 LEU 56 6.784 2.235 -3.941 452 HD23 LEU 56 3HD2 LEU 56 6.402 1.267 -5.363 453 H PHE 57 H PHE 57 1.823 0.081 -7.684 454 HA PHE 57 HA PHE 57 2.361 -2.735 -7.100 455 HB2 PHE 57 1HB PHE 57 0.849 -2.101 -5.313 456 HB3 PHE 57 2HB PHE 57 -0.225 -1.295 -6.447 457 HD1 PHE 57 HD1 PHE 57 -1.920 -2.479 -7.576 458 HD2 PHE 57 HD2 PHE 57 1.046 -4.598 -5.374 459 HE1 PHE 57 HE1 PHE 57 -3.226 -4.547 -7.813 460 HE2 PHE 57 HE2 PHE 57 -0.260 -6.668 -5.608 461 HZ PHE 57 HZ PHE 57 -2.395 -6.642 -6.828 462 H ASP 58 H ASP 58 1.810 -4.070 -8.708 463 HA ASP 58 HA ASP 58 0.271 -2.975 -10.970 464 HB2 ASP 58 1HB ASP 58 2.632 -3.199 -11.589 465 HB3 ASP 58 2HB ASP 58 2.639 -4.869 -11.043 466 H ASP 59 H ASP 59 -1.224 -4.412 -11.930 467 HA ASP 59 HA ASP 59 -2.289 -6.269 -10.000 468 HB2 ASP 59 1HB ASP 59 -4.208 -6.415 -11.438 469 HB3 ASP 59 2HB ASP 59 -3.720 -4.735 -11.354 470 H THR 60 H THR 60 -0.154 -6.503 -12.594 471 HA THR 60 HA THR 60 -0.716 -9.335 -13.020 472 HB THR 60 HB THR 60 1.027 -7.347 -14.450 473 HG1 THR 60 HG1 THR 60 -1.418 -8.605 -14.888 474 HG21 THR 60 1HG2 THR 60 2.265 -9.445 -14.357 475 HG22 THR 60 2HG2 THR 60 1.679 -9.135 -15.992 476 HG23 THR 60 3HG2 THR 60 0.858 -10.316 -14.971 477 H GLU 61 H GLU 61 2.200 -7.321 -12.497 478 HA GLU 61 HA GLU 61 3.782 -9.534 -11.639 479 HB2 GLU 61 1HB GLU 61 4.428 -6.662 -11.066 480 HB3 GLU 61 2HB GLU 61 5.520 -8.002 -11.371 481 HG2 GLU 61 1HG GLU 61 4.797 -8.072 -13.695 482 HG3 GLU 61 2HG GLU 61 3.719 -6.714 -13.396 483 H GLY 62 H GLY 62 1.707 -7.292 -10.016 484 HA2 GLY 62 1HA GLY 62 0.975 -7.484 -7.786 485 HA3 GLY 62 2HA GLY 62 2.382 -8.499 -7.442 486 HA PRO 63 HA PRO 63 3.347 -4.455 -5.424 487 HB2 PRO 63 1HB PRO 63 5.101 -6.346 -3.957 488 HB3 PRO 63 2HB PRO 63 4.019 -5.094 -3.333 489 HG2 PRO 63 1HG PRO 63 3.407 -7.699 -3.147 490 HG3 PRO 63 2HG PRO 63 2.167 -6.461 -3.413 491 HD2 PRO 63 1HD PRO 63 3.374 -8.394 -5.350 492 HD3 PRO 63 2HD PRO 63 1.707 -7.772 -5.260 493 H LEU 64 H LEU 64 4.810 -3.230 -6.404 494 HA LEU 64 HA LEU 64 6.998 -4.440 -7.867 495 HB2 LEU 64 1HB LEU 64 6.387 -1.500 -7.530 496 HB3 LEU 64 2HB LEU 64 7.422 -2.240 -8.736 497 HG LEU 64 HG LEU 64 4.445 -2.684 -8.568 498 HD11 LEU 64 1HD1 LEU 64 6.046 -0.953 -10.447 499 HD12 LEU 64 2HD1 LEU 64 4.945 -0.381 -9.193 500 HD13 LEU 64 3HD1 LEU 64 4.320 -1.288 -10.570 501 HD21 LEU 64 1HD2 LEU 64 5.727 -4.543 -9.525 502 HD22 LEU 64 2HD2 LEU 64 6.445 -3.432 -10.691 503 HD23 LEU 64 3HD2 LEU 64 4.709 -3.744 -10.724 504 H VAL 65 H VAL 65 8.223 -5.291 -6.258 505 HA VAL 65 HA VAL 65 8.943 -4.254 -3.843 506 HB VAL 65 HB VAL 65 10.564 -6.044 -5.631 507 HG11 VAL 65 1HG1 VAL 65 11.998 -5.029 -3.944 508 HG12 VAL 65 2HG1 VAL 65 11.741 -6.740 -3.597 509 HG13 VAL 65 3HG1 VAL 65 10.869 -5.514 -2.676 510 HG21 VAL 65 1HG2 VAL 65 8.426 -6.988 -5.122 511 HG22 VAL 65 2HG2 VAL 65 8.605 -6.584 -3.416 512 HG23 VAL 65 3HG2 VAL 65 9.641 -7.811 -4.146 513 H ASP 66 H ASP 66 10.598 -3.756 -6.939 514 HA ASP 66 HA ASP 66 12.877 -2.485 -5.947 515 HB2 ASP 66 1HB ASP 66 12.646 -3.317 -8.240 516 HB3 ASP 66 2HB ASP 66 11.503 -2.031 -8.594 517 H ASN 67 H ASN 67 9.919 -0.953 -7.279 518 HA ASN 67 HA ASN 67 10.652 1.673 -6.558 519 HB2 ASN 67 1HB ASN 67 7.950 0.448 -7.086 520 HB3 ASN 67 2HB ASN 67 8.183 2.159 -6.762 521 HD21 ASN 67 1HD2 ASN 67 7.071 1.050 -9.114 522 HD22 ASN 67 2HD2 ASN 67 8.112 1.459 -10.434 523 H LEU 68 H LEU 68 9.016 -0.898 -4.883 524 HA LEU 68 HA LEU 68 7.934 0.529 -2.744 525 HB2 LEU 68 1HB LEU 68 8.712 -2.314 -3.177 526 HB3 LEU 68 2HB LEU 68 8.280 -1.784 -1.562 527 HG LEU 68 HG LEU 68 6.478 -1.335 -3.928 528 HD11 LEU 68 1HD1 LEU 68 5.253 -3.328 -3.252 529 HD12 LEU 68 2HD1 LEU 68 6.463 -3.663 -2.012 530 HD13 LEU 68 3HD1 LEU 68 6.904 -3.735 -3.717 531 HD21 LEU 68 1HD2 LEU 68 6.066 0.030 -1.956 532 HD22 LEU 68 2HD2 LEU 68 5.990 -1.421 -0.958 533 HD23 LEU 68 3HD2 LEU 68 4.769 -1.138 -2.201 534 H VAL 69 H VAL 69 11.098 -1.064 -3.056 535 HA VAL 69 HA VAL 69 12.010 -0.320 -0.470 536 HB VAL 69 HB VAL 69 13.614 -0.995 -2.927 537 HG11 VAL 69 1HG1 VAL 69 14.369 -0.853 -0.015 538 HG12 VAL 69 2HG1 VAL 69 14.996 0.146 -1.327 539 HG13 VAL 69 3HG1 VAL 69 15.375 -1.574 -1.270 540 HG21 VAL 69 1HG2 VAL 69 12.743 -2.737 -0.631 541 HG22 VAL 69 2HG2 VAL 69 13.741 -3.229 -2.000 542 HG23 VAL 69 3HG2 VAL 69 12.058 -2.767 -2.258 543 H HIS 70 H HIS 70 12.336 1.144 -3.682 544 HA HIS 70 HA HIS 70 14.097 3.202 -2.929 545 HB2 HIS 70 1HB HIS 70 12.169 2.865 -5.193 546 HB3 HIS 70 2HB HIS 70 12.939 4.428 -4.934 547 HD1 HIS 70 HD1 HIS 70 15.125 4.728 -6.046 548 HD2 HIS 70 HD2 HIS 70 14.231 0.713 -5.458 549 HE1 HIS 70 HE1 HIS 70 16.976 3.452 -7.163 550 HE2 HIS 70 HE2 HIS 70 16.375 1.023 -6.858 551 H GLN 71 H GLN 71 10.660 2.870 -2.533 552 HA GLN 71 HA GLN 71 10.361 5.649 -1.733 553 HB2 GLN 71 1HB GLN 71 8.595 4.464 -3.060 554 HB3 GLN 71 2HB GLN 71 8.290 3.455 -1.653 555 HG2 GLN 71 1HG GLN 71 6.665 5.242 -1.801 556 HG3 GLN 71 2HG GLN 71 7.664 5.408 -0.362 557 HE21 GLN 71 1HE2 GLN 71 6.087 7.415 -1.725 558 HE22 GLN 71 2HE2 GLN 71 7.184 8.668 -2.167 559 H LEU 72 H LEU 72 9.732 2.478 -0.230 560 HA LEU 72 HA LEU 72 9.126 3.563 2.284 561 HB2 LEU 72 1HB LEU 72 9.918 0.774 1.484 562 HB3 LEU 72 2HB LEU 72 9.425 1.206 3.108 563 HG LEU 72 HG LEU 72 7.696 1.568 0.661 564 HD11 LEU 72 1HD1 LEU 72 6.459 -0.381 1.469 565 HD12 LEU 72 2HD1 LEU 72 7.631 -0.589 2.772 566 HD13 LEU 72 3HD1 LEU 72 8.132 -0.801 1.095 567 HD21 LEU 72 1HD2 LEU 72 7.166 1.853 3.612 568 HD22 LEU 72 2HD2 LEU 72 5.894 1.745 2.395 569 HD23 LEU 72 3HD2 LEU 72 7.029 3.095 2.364 570 H ALA 73 H ALA 73 12.176 2.347 0.962 571 HA ALA 73 HA ALA 73 13.569 2.590 3.455 572 HB1 ALA 73 1HB ALA 73 15.546 2.026 2.219 573 HB2 ALA 73 2HB ALA 73 14.724 2.348 0.691 574 HB3 ALA 73 3HB ALA 73 14.217 0.988 1.693 575 H HIS 74 H HIS 74 12.185 4.966 2.666 576 HA HIS 74 HA HIS 74 14.009 6.928 1.681 577 HB2 HIS 74 1HB HIS 74 11.499 7.123 1.590 578 HB3 HIS 74 2HB HIS 74 11.501 7.360 3.335 579 HD1 HIS 74 HD1 HIS 74 11.589 9.724 4.083 580 HD2 HIS 74 HD2 HIS 74 12.999 9.271 0.195 581 HE1 HIS 74 HE1 HIS 74 11.999 12.054 3.232 582 HE2 HIS 74 HE2 HIS 74 12.677 11.752 0.824 583 H GLY 75 H GLY 75 15.851 6.440 3.025 584 HA2 GLY 75 1HA GLY 75 17.190 7.545 4.655 585 HA3 GLY 75 2HA GLY 75 15.735 7.878 5.582 586 H ARG 76 H ARG 76 16.342 4.721 4.231 587 HA ARG 76 HA ARG 76 17.318 3.703 6.779 588 HB2 ARG 76 1HB ARG 76 14.601 3.256 5.761 589 HB3 ARG 76 2HB ARG 76 15.449 1.794 6.240 590 HG2 ARG 76 1HG ARG 76 15.943 2.997 8.426 591 HG3 ARG 76 2HG ARG 76 14.716 4.165 7.925 592 HD2 ARG 76 1HD ARG 76 13.088 2.372 7.732 593 HD3 ARG 76 2HD ARG 76 14.305 1.193 8.194 594 HE ARG 76 HE ARG 76 13.894 3.295 10.123 595 HH11 ARG 76 1HH1 ARG 76 12.898 0.118 9.035 596 HH12 ARG 76 2HH1 ARG 76 12.236 -0.341 10.570 597 HH21 ARG 76 1HH2 ARG 76 13.023 2.695 12.151 598 HH22 ARG 76 2HH2 ARG 76 12.302 1.126 12.344 599 H ASP 77 H ASP 77 17.942 1.452 6.686 600 HA ASP 77 HA ASP 77 19.526 0.766 4.502 601 HB2 ASP 77 1HB ASP 77 18.393 -1.025 6.660 602 HB3 ASP 77 2HB ASP 77 19.752 -1.419 5.612 603 H ALA 78 H ALA 78 18.861 0.308 2.568 604 HA ALA 78 HA ALA 78 16.259 -0.327 1.803 605 HB1 ALA 78 1HB ALA 78 18.809 -0.843 0.290 606 HB2 ALA 78 2HB ALA 78 17.934 0.686 0.339 607 HB3 ALA 78 3HB ALA 78 17.188 -0.731 -0.394 608 H GLU 79 H GLU 79 19.004 -2.431 2.485 609 HA GLU 79 HA GLU 79 17.982 -4.804 1.399 610 HB2 GLU 79 1HB GLU 79 19.922 -4.306 3.644 611 HB3 GLU 79 2HB GLU 79 19.525 -5.923 3.075 612 HG2 GLU 79 1HG GLU 79 20.345 -5.389 0.872 613 HG3 GLU 79 2HG GLU 79 20.658 -3.727 1.357 614 H GLU 80 H GLU 80 17.727 -3.518 4.704 615 HA GLU 80 HA GLU 80 16.164 -5.587 5.778 616 HB2 GLU 80 1HB GLU 80 16.439 -2.670 6.453 617 HB3 GLU 80 2HB GLU 80 15.350 -3.724 7.343 618 HG2 GLU 80 1HG GLU 80 18.302 -4.177 7.039 619 HG3 GLU 80 2HG GLU 80 17.537 -3.427 8.432 620 H VAL 81 H VAL 81 15.272 -2.546 4.235 621 HA VAL 81 HA VAL 81 12.503 -2.729 4.480 622 HB VAL 81 HB VAL 81 14.146 -1.377 2.347 623 HG11 VAL 81 1HG1 VAL 81 11.245 -1.015 3.086 624 HG12 VAL 81 2HG1 VAL 81 11.866 -1.653 1.564 625 HG13 VAL 81 3HG1 VAL 81 12.156 0.034 1.998 626 HG21 VAL 81 1HG2 VAL 81 12.968 -0.417 4.936 627 HG22 VAL 81 2HG2 VAL 81 13.730 0.613 3.726 628 HG23 VAL 81 3HG2 VAL 81 14.678 -0.617 4.552 629 H ARG 82 H ARG 82 14.574 -3.708 1.735 630 HA ARG 82 HA ARG 82 12.593 -4.696 0.056 631 HB2 ARG 82 1HB ARG 82 15.051 -4.349 -0.445 632 HB3 ARG 82 2HB ARG 82 15.340 -5.895 0.339 633 HG2 ARG 82 1HG ARG 82 13.811 -6.955 -1.285 634 HG3 ARG 82 2HG ARG 82 13.677 -5.407 -2.110 635 HD2 ARG 82 1HD ARG 82 16.158 -5.415 -2.361 636 HD3 ARG 82 2HD ARG 82 16.159 -7.057 -1.725 637 HE ARG 82 HE ARG 82 14.501 -6.540 -4.072 638 HH11 ARG 82 1HH1 ARG 82 17.480 -7.806 -2.752 639 HH12 ARG 82 2HH1 ARG 82 17.859 -8.748 -4.156 640 HH21 ARG 82 1HH2 ARG 82 14.999 -7.772 -5.942 641 HH22 ARG 82 2HH2 ARG 82 16.448 -8.728 -5.972 642 H THR 83 H THR 83 14.393 -6.317 2.635 643 HA THR 83 HA THR 83 13.368 -8.894 2.196 644 HB THR 83 HB THR 83 14.635 -7.541 4.555 645 HG1 THR 83 HG1 THR 83 16.374 -8.464 3.777 646 HG21 THR 83 1HG2 THR 83 13.060 -9.139 5.513 647 HG22 THR 83 2HG2 THR 83 14.715 -9.715 5.707 648 HG23 THR 83 3HG2 THR 83 13.681 -10.408 4.457 649 H GLU 84 H GLU 84 12.405 -6.396 4.567 650 HA GLU 84 HA GLU 84 10.248 -7.798 5.660 651 HB2 GLU 84 1HB GLU 84 10.657 -4.814 5.441 652 HB3 GLU 84 2HB GLU 84 9.442 -5.592 6.443 653 HG2 GLU 84 1HG GLU 84 11.254 -6.762 7.651 654 HG3 GLU 84 2HG GLU 84 12.425 -5.831 6.720 655 H VAL 85 H VAL 85 10.363 -5.601 2.870 656 HA VAL 85 HA VAL 85 7.625 -5.602 2.276 657 HB VAL 85 HB VAL 85 10.064 -5.310 0.528 658 HG11 VAL 85 1HG1 VAL 85 8.342 -6.297 -0.863 659 HG12 VAL 85 2HG1 VAL 85 8.557 -4.594 -1.283 660 HG13 VAL 85 3HG1 VAL 85 7.175 -5.096 -0.305 661 HG21 VAL 85 1HG2 VAL 85 9.300 -2.987 0.390 662 HG22 VAL 85 2HG2 VAL 85 9.595 -3.489 2.055 663 HG23 VAL 85 3HG2 VAL 85 7.941 -3.379 1.447 664 H LEU 86 H LEU 86 10.227 -7.734 1.097 665 HA LEU 86 HA LEU 86 8.688 -9.327 -0.574 666 HB2 LEU 86 1HB LEU 86 11.219 -9.921 0.943 667 HB3 LEU 86 2HB LEU 86 10.501 -11.049 -0.203 668 HG LEU 86 HG LEU 86 11.269 -8.246 -0.965 669 HD11 LEU 86 1HD1 LEU 86 12.910 -10.764 -1.191 670 HD12 LEU 86 2HD1 LEU 86 13.250 -9.399 -0.127 671 HD13 LEU 86 3HD1 LEU 86 13.325 -9.192 -1.879 672 HD21 LEU 86 1HD2 LEU 86 9.706 -9.308 -2.454 673 HD22 LEU 86 2HD2 LEU 86 10.705 -10.761 -2.520 674 HD23 LEU 86 3HD2 LEU 86 11.293 -9.252 -3.222 675 H LYS 87 H LYS 87 9.197 -9.520 2.897 676 HA LYS 87 HA LYS 87 8.061 -12.097 3.278 677 HB2 LYS 87 1HB LYS 87 8.400 -9.742 5.131 678 HB3 LYS 87 2HB LYS 87 7.687 -11.260 5.652 679 HG2 LYS 87 1HG LYS 87 9.745 -12.432 5.063 680 HG3 LYS 87 2HG LYS 87 10.470 -10.895 4.557 681 HD2 LYS 87 1HD LYS 87 10.283 -10.036 6.809 682 HD3 LYS 87 2HD LYS 87 9.441 -11.496 7.329 683 HE2 LYS 87 1HE LYS 87 11.484 -12.792 6.659 684 HE3 LYS 87 2HE LYS 87 12.300 -11.248 6.417 685 HZ1 LYS 87 1HZ LYS 87 11.133 -12.227 8.964 686 HZ2 LYS 87 2HZ LYS 87 11.861 -10.716 8.746 687 HZ3 LYS 87 3HZ LYS 87 12.780 -12.127 8.594 688 H CYS 88 H CYS 88 6.727 -9.102 2.492 689 HA CYS 88 HA CYS 88 4.062 -9.888 3.409 690 HB2 CYS 88 1HB CYS 88 5.315 -7.258 2.694 691 HB3 CYS 88 2HB CYS 88 3.546 -7.437 2.706 692 H VAL 89 H VAL 89 6.051 -9.691 0.668 693 HA VAL 89 HA VAL 89 3.966 -9.547 -1.305 694 HB VAL 89 HB VAL 89 6.825 -10.483 -1.585 695 HG11 VAL 89 1HG1 VAL 89 5.482 -11.334 -3.376 696 HG12 VAL 89 2HG1 VAL 89 6.459 -10.001 -3.993 697 HG13 VAL 89 3HG1 VAL 89 4.751 -9.751 -3.632 698 HG21 VAL 89 1HG2 VAL 89 5.586 -7.783 -2.077 699 HG22 VAL 89 2HG2 VAL 89 7.207 -8.247 -2.591 700 HG23 VAL 89 3HG2 VAL 89 6.810 -8.189 -0.875 701 H ASP 90 H ASP 90 2.646 -11.175 -1.748 702 HA ASP 90 HA ASP 90 3.685 -13.880 -1.788 703 HB2 ASP 90 1HB ASP 90 2.662 -13.374 0.509 704 HB3 ASP 90 2HB ASP 90 1.109 -13.318 -0.327 705 H LYS 91 H LYS 91 1.560 -15.331 -2.427 706 HA LYS 91 HA LYS 91 1.094 -14.448 -5.126 707 HB2 LYS 91 1HB LYS 91 -0.060 -16.901 -3.809 708 HB3 LYS 91 2HB LYS 91 0.253 -16.620 -5.518 709 HG2 LYS 91 1HG LYS 91 2.416 -16.784 -3.445 710 HG3 LYS 91 2HG LYS 91 1.862 -18.154 -4.405 711 HD2 LYS 91 1HD LYS 91 2.871 -15.592 -5.623 712 HD3 LYS 91 2HD LYS 91 3.924 -16.958 -5.254 713 HE2 LYS 91 1HE LYS 91 1.489 -17.128 -7.028 714 HE3 LYS 91 2HE LYS 91 3.127 -16.863 -7.623 715 HZ1 LYS 91 1HZ LYS 91 2.219 -19.237 -6.080 716 HZ2 LYS 91 2HZ LYS 91 3.783 -18.982 -6.671 717 HZ3 LYS 91 3HZ LYS 91 2.498 -19.194 -7.747 718 H ASN 92 H ASN 92 -0.961 -14.393 -6.145 719 HA ASN 92 HA ASN 92 -2.955 -12.969 -4.624 720 HB2 ASN 92 1HB ASN 92 -2.339 -12.370 -6.964 721 HB3 ASN 92 2HB ASN 92 -2.997 -13.906 -7.497 722 HD21 ASN 92 1HD2 ASN 92 -4.359 -12.716 -8.869 723 HD22 ASN 92 2HD2 ASN 92 -5.809 -11.985 -8.270 724 H THR 93 H THR 93 -3.274 -14.859 -3.177 725 HA THR 93 HA THR 93 -4.669 -17.153 -4.189 726 HB THR 93 HB THR 93 -4.944 -17.712 -1.768 727 HG1 THR 93 HG1 THR 93 -4.781 -16.054 -0.442 728 HG21 THR 93 1HG2 THR 93 -2.562 -18.080 -1.345 729 HG22 THR 93 2HG2 THR 93 -2.161 -16.949 -2.638 730 HG23 THR 93 3HG2 THR 93 -2.986 -18.460 -3.012 731 H ASP 94 H ASP 94 -5.575 -14.019 -3.134 732 HA ASP 94 HA ASP 94 -8.276 -14.689 -2.413 733 HB2 ASP 94 1HB ASP 94 -6.794 -12.109 -2.826 734 HB3 ASP 94 2HB ASP 94 -8.557 -12.110 -2.701 735 H ASN 95 H ASN 95 -6.600 -14.215 -5.310 736 HA ASN 95 HA ASN 95 -7.173 -14.131 -7.482 737 HB2 ASN 95 1HB ASN 95 -9.754 -15.214 -6.379 738 HB3 ASN 95 2HB ASN 95 -9.447 -15.028 -8.099 739 HD21 ASN 95 1HD2 ASN 95 -9.918 -17.421 -6.479 740 HD22 ASN 95 2HD2 ASN 95 -8.543 -18.448 -6.756 741 H ASN 96 H ASN 96 -7.735 -11.815 -5.653 742 HA ASN 96 HA ASN 96 -9.326 -10.288 -7.570 743 HB2 ASN 96 1HB ASN 96 -10.963 -10.843 -5.908 744 HB3 ASN 96 2HB ASN 96 -9.855 -10.451 -4.592 745 HD21 ASN 96 1HD2 ASN 96 -11.976 -9.196 -7.041 746 HD22 ASN 96 2HD2 ASN 96 -12.028 -7.573 -6.445 747 H ALA 97 H ALA 97 -8.400 -8.383 -8.020 748 HA ALA 97 HA ALA 97 -5.778 -7.892 -7.119 749 HB1 ALA 97 1HB ALA 97 -6.559 -7.301 -9.359 750 HB2 ALA 97 2HB ALA 97 -5.835 -5.923 -8.531 751 HB3 ALA 97 3HB ALA 97 -7.589 -6.048 -8.666 752 H CYS 98 H CYS 98 -8.874 -6.431 -6.211 753 HA CYS 98 HA CYS 98 -7.814 -4.312 -4.669 754 HB2 CYS 98 1HB CYS 98 -10.388 -5.828 -4.192 755 HB3 CYS 98 2HB CYS 98 -9.979 -4.246 -3.539 756 H HIS 99 H HIS 99 -8.487 -7.673 -3.952 757 HA HIS 99 HA HIS 99 -7.924 -7.458 -1.147 758 HB2 HIS 99 1HB HIS 99 -8.381 -9.741 -3.046 759 HB3 HIS 99 2HB HIS 99 -7.832 -10.042 -1.407 760 HD1 HIS 99 HD1 HIS 99 -9.811 -11.024 -0.322 761 HD2 HIS 99 HD2 HIS 99 -10.779 -7.604 -2.490 762 HE1 HIS 99 HE1 HIS 99 -12.238 -10.567 0.167 763 HE2 HIS 99 HE2 HIS 99 -12.755 -8.403 -1.020 764 H TRP 100 H TRP 100 -6.100 -8.195 -4.025 765 HA TRP 100 HA TRP 100 -3.923 -9.481 -2.729 766 HB2 TRP 100 1HB TRP 100 -4.495 -9.730 -5.154 767 HB3 TRP 100 2HB TRP 100 -3.896 -8.093 -5.422 768 HD1 TRP 100 HD1 TRP 100 -1.688 -9.772 -2.979 769 HE1 TRP 100 HE1 TRP 100 0.436 -10.658 -4.130 770 HE3 TRP 100 HE3 TRP 100 -3.162 -9.325 -7.856 771 HZ2 TRP 100 HZ2 TRP 100 1.360 -11.112 -6.756 772 HZ3 TRP 100 HZ3 TRP 100 -1.600 -10.008 -9.623 773 HH2 TRP 100 HH2 TRP 100 0.613 -10.884 -9.092 774 H ALA 101 H ALA 101 -4.304 -6.208 -4.082 775 HA ALA 101 HA ALA 101 -1.810 -5.225 -3.230 776 HB1 ALA 101 1HB ALA 101 -2.713 -3.024 -3.677 777 HB2 ALA 101 2HB ALA 101 -4.352 -3.675 -3.687 778 HB3 ALA 101 3HB ALA 101 -3.210 -4.147 -4.944 779 H PHE 102 H PHE 102 -4.943 -5.402 -1.682 780 HA PHE 102 HA PHE 102 -4.295 -3.754 0.517 781 HB2 PHE 102 1HB PHE 102 -6.597 -4.213 -0.218 782 HB3 PHE 102 2HB PHE 102 -6.432 -5.878 0.333 783 HD1 PHE 102 HD1 PHE 102 -6.952 -6.423 2.557 784 HD2 PHE 102 HD2 PHE 102 -6.305 -2.354 1.482 785 HE1 PHE 102 HE1 PHE 102 -7.707 -5.718 4.788 786 HE2 PHE 102 HE2 PHE 102 -7.057 -1.642 3.713 787 HZ PHE 102 HZ PHE 102 -7.757 -3.321 5.369 788 H ARG 103 H ARG 103 -3.804 -7.102 -0.235 789 HA ARG 103 HA ARG 103 -3.398 -8.075 2.405 790 HB2 ARG 103 1HB ARG 103 -3.902 -9.528 0.432 791 HB3 ARG 103 2HB ARG 103 -2.294 -9.170 -0.181 792 HG2 ARG 103 1HG ARG 103 -1.270 -10.238 1.710 793 HG3 ARG 103 2HG ARG 103 -2.842 -10.475 2.464 794 HD2 ARG 103 1HD ARG 103 -3.502 -11.953 0.615 795 HD3 ARG 103 2HD ARG 103 -1.912 -11.738 -0.122 796 HE ARG 103 HE ARG 103 -2.043 -12.791 2.603 797 HH11 ARG 103 1HH1 ARG 103 -1.515 -13.443 -0.814 798 HH12 ARG 103 2HH1 ARG 103 -0.638 -14.910 -0.520 799 HH21 ARG 103 1HH2 ARG 103 -0.922 -14.740 2.968 800 HH22 ARG 103 2HH2 ARG 103 -0.329 -15.659 1.621 801 H GLY 104 H GLY 104 -1.256 -6.851 -0.118 802 HA2 GLY 104 1HA GLY 104 1.175 -7.269 1.298 803 HA3 GLY 104 2HA GLY 104 0.934 -6.149 -0.050 804 H PHE 105 H PHE 105 -1.028 -4.521 1.034 805 HA PHE 105 HA PHE 105 0.536 -2.696 2.483 806 HB2 PHE 105 1HB PHE 105 -1.184 -1.886 1.046 807 HB3 PHE 105 2HB PHE 105 -2.411 -2.814 1.891 808 HD1 PHE 105 HD1 PHE 105 0.264 -0.503 3.073 809 HD2 PHE 105 HD2 PHE 105 -3.909 -1.331 2.845 810 HE1 PHE 105 HE1 PHE 105 -0.214 1.495 4.431 811 HE2 PHE 105 HE2 PHE 105 -4.384 0.656 4.207 812 HZ PHE 105 HZ PHE 105 -2.534 2.074 5.001 813 H LYS 106 H LYS 106 -2.133 -4.818 3.443 814 HA LYS 106 HA LYS 106 -2.401 -4.108 6.135 815 HB2 LYS 106 1HB LYS 106 -3.593 -5.999 4.548 816 HB3 LYS 106 2HB LYS 106 -2.542 -6.994 5.538 817 HG2 LYS 106 1HG LYS 106 -3.513 -5.962 7.566 818 HG3 LYS 106 2HG LYS 106 -4.706 -5.166 6.533 819 HD2 LYS 106 1HD LYS 106 -5.543 -7.294 5.776 820 HD3 LYS 106 2HD LYS 106 -4.261 -8.149 6.636 821 HE2 LYS 106 1HE LYS 106 -6.261 -8.338 7.927 822 HE3 LYS 106 2HE LYS 106 -5.180 -7.230 8.768 823 HZ1 LYS 106 1HZ LYS 106 -7.496 -6.463 7.082 824 HZ2 LYS 106 2HZ LYS 106 -6.443 -5.376 7.836 825 HZ3 LYS 106 3HZ LYS 106 -7.421 -6.390 8.765 826 H CYS 107 H CYS 107 -0.433 -6.679 4.719 827 HA CYS 107 HA CYS 107 0.643 -7.656 7.076 828 HB2 CYS 107 1HB CYS 107 0.826 -8.987 5.144 829 HB3 CYS 107 2HB CYS 107 1.610 -7.709 4.222 830 H PHE 108 H PHE 108 1.789 -5.056 4.977 831 HA PHE 108 HA PHE 108 4.328 -4.892 6.278 832 HB2 PHE 108 1HB PHE 108 3.855 -4.326 3.860 833 HB3 PHE 108 2HB PHE 108 3.150 -2.819 4.450 834 HD1 PHE 108 HD1 PHE 108 6.237 -4.777 4.107 835 HD2 PHE 108 HD2 PHE 108 4.549 -1.047 5.284 836 HE1 PHE 108 HE1 PHE 108 8.484 -3.785 4.180 837 HE2 PHE 108 HE2 PHE 108 6.797 -0.052 5.350 838 HZ PHE 108 HZ PHE 108 8.765 -1.420 4.796 839 H GLN 109 H GLN 109 1.379 -2.848 6.308 840 HA GLN 109 HA GLN 109 2.500 -0.867 7.993 841 HB2 GLN 109 1HB GLN 109 0.208 -0.099 8.337 842 HB3 GLN 109 2HB GLN 109 0.533 -0.403 6.636 843 HG2 GLN 109 1HG GLN 109 -0.812 -2.270 6.573 844 HG3 GLN 109 2HG GLN 109 -0.734 -2.514 8.321 845 HE21 GLN 109 1HE2 GLN 109 -2.979 -2.634 8.470 846 HE22 GLN 109 2HE2 GLN 109 -3.991 -1.238 8.323 847 H LYS 110 H LYS 110 1.217 -3.984 8.580 848 HA LYS 110 HA LYS 110 0.365 -3.709 11.243 849 HB2 LYS 110 1HB LYS 110 -0.087 -5.612 9.639 850 HB3 LYS 110 2HB LYS 110 1.549 -6.163 9.934 851 HG2 LYS 110 1HG LYS 110 -0.367 -5.804 12.194 852 HG3 LYS 110 2HG LYS 110 -0.402 -7.257 11.203 853 HD2 LYS 110 1HD LYS 110 2.028 -7.566 11.717 854 HD3 LYS 110 2HD LYS 110 1.893 -6.230 12.863 855 HE2 LYS 110 1HE LYS 110 1.679 -8.343 14.027 856 HE3 LYS 110 2HE LYS 110 0.149 -7.475 14.074 857 HZ1 LYS 110 1HZ LYS 110 -0.151 -9.823 13.582 858 HZ2 LYS 110 2HZ LYS 110 0.809 -9.679 12.200 859 HZ3 LYS 110 3HZ LYS 110 -0.668 -8.865 12.290 860 H ASN 111 H ASN 111 3.506 -4.083 9.777 861 HA ASN 111 HA ASN 111 4.731 -4.259 12.452 862 HB2 ASN 111 1HB ASN 111 5.872 -5.059 9.767 863 HB3 ASN 111 2HB ASN 111 6.766 -5.069 11.286 864 HD21 ASN 111 1HD2 ASN 111 4.305 -6.630 9.398 865 HD22 ASN 111 2HD2 ASN 111 4.199 -8.056 10.366 866 H ASN 112 H ASN 112 4.532 -2.386 9.519 867 HA ASN 112 HA ASN 112 6.496 -0.487 10.604 868 HB2 ASN 112 1HB ASN 112 6.487 -1.640 7.811 869 HB3 ASN 112 2HB ASN 112 7.423 -0.221 8.292 870 HD21 ASN 112 1HD2 ASN 112 8.001 -3.077 7.388 871 HD22 ASN 112 2HD2 ASN 112 9.223 -3.611 8.500 872 H LEU 113 H LEU 113 4.140 0.439 11.001 873 HA LEU 113 HA LEU 113 3.008 1.620 8.618 874 HB2 LEU 113 1HB LEU 113 1.450 0.939 10.287 875 HB3 LEU 113 2HB LEU 113 2.255 1.889 11.519 876 HG LEU 113 HG LEU 113 1.591 3.947 10.288 877 HD11 LEU 113 1HD1 LEU 113 0.014 2.024 8.589 878 HD12 LEU 113 2HD1 LEU 113 1.420 2.950 8.065 879 HD13 LEU 113 3HD1 LEU 113 -0.068 3.784 8.519 880 HD21 LEU 113 1HD2 LEU 113 -0.750 3.874 10.936 881 HD22 LEU 113 2HD2 LEU 113 0.251 3.072 12.149 882 HD23 LEU 113 3HD2 LEU 113 -0.690 2.112 11.007 883 H SER 114 H SER 114 4.938 2.657 11.359 884 HA SER 114 HA SER 114 4.822 5.435 10.880 885 HB2 SER 114 1HB SER 114 7.050 3.834 12.167 886 HB3 SER 114 2HB SER 114 6.806 5.573 12.310 887 HG SER 114 HG SER 114 5.406 3.468 13.489 888 H LEU 115 H LEU 115 6.855 2.891 9.578 889 HA LEU 115 HA LEU 115 8.695 4.536 8.214 890 HB2 LEU 115 1HB LEU 115 9.095 2.171 8.647 891 HB3 LEU 115 2HB LEU 115 7.758 1.735 7.599 892 HG LEU 115 HG LEU 115 8.994 2.760 5.691 893 HD11 LEU 115 1HD1 LEU 115 11.144 3.022 7.775 894 HD12 LEU 115 2HD1 LEU 115 10.393 4.312 6.837 895 HD13 LEU 115 3HD1 LEU 115 11.432 3.132 6.039 896 HD21 LEU 115 1HD2 LEU 115 10.422 0.556 7.176 897 HD22 LEU 115 2HD2 LEU 115 10.614 0.935 5.464 898 HD23 LEU 115 3HD2 LEU 115 9.062 0.358 6.070 899 H ILE 116 H ILE 116 5.545 3.223 7.381 900 HA ILE 116 HA ILE 116 5.525 3.888 4.652 901 HB ILE 116 HB ILE 116 3.229 3.629 6.612 902 HG12 ILE 116 1HG1 ILE 116 4.367 1.704 4.567 903 HG13 ILE 116 2HG1 ILE 116 4.550 1.584 6.323 904 HG21 ILE 116 1HG2 ILE 116 1.807 3.339 4.618 905 HG22 ILE 116 2HG2 ILE 116 3.178 3.789 3.605 906 HG23 ILE 116 3HG2 ILE 116 2.496 4.961 4.736 907 HD11 ILE 116 1HD1 ILE 116 2.051 1.263 4.693 908 HD12 ILE 116 2HD1 ILE 116 2.046 1.419 6.449 909 HD13 ILE 116 3HD1 ILE 116 2.866 0.056 5.686 910 H LYS 117 H LYS 117 4.512 5.646 7.532 911 HA LYS 117 HA LYS 117 3.577 7.960 6.215 912 HB2 LYS 117 1HB LYS 117 4.567 7.505 9.025 913 HB3 LYS 117 2HB LYS 117 3.888 9.032 8.478 914 HG2 LYS 117 1HG LYS 117 1.777 7.930 7.972 915 HG3 LYS 117 2HG LYS 117 2.445 6.377 8.470 916 HD2 LYS 117 1HD LYS 117 2.755 7.229 10.741 917 HD3 LYS 117 2HD LYS 117 2.130 8.802 10.246 918 HE2 LYS 117 1HE LYS 117 -0.032 7.794 9.735 919 HE3 LYS 117 2HE LYS 117 0.592 6.204 10.181 920 HZ1 LYS 117 1HZ LYS 117 0.370 8.529 12.015 921 HZ2 LYS 117 2HZ LYS 117 0.907 6.980 12.430 922 HZ3 LYS 117 3HZ LYS 117 -0.700 7.219 11.968 923 H ALA 118 H ALA 118 6.734 6.908 7.289 924 HA ALA 118 HA ALA 118 8.021 9.449 6.988 925 HB1 ALA 118 1HB ALA 118 9.190 6.685 7.162 926 HB2 ALA 118 2HB ALA 118 8.847 7.751 8.523 927 HB3 ALA 118 3HB ALA 118 10.078 8.199 7.343 928 H SER 119 H SER 119 7.442 6.693 4.933 929 HA SER 119 HA SER 119 9.363 7.183 2.958 930 HB2 SER 119 1HB SER 119 6.637 5.918 2.596 931 HB3 SER 119 2HB SER 119 8.038 5.719 1.544 932 HG SER 119 HG SER 119 8.244 5.088 4.277 933 H ILE 120 H ILE 120 6.063 8.388 3.326 934 HA ILE 120 HA ILE 120 6.267 9.917 0.855 935 HB ILE 120 HB ILE 120 3.949 10.634 1.363 936 HG12 ILE 120 1HG1 ILE 120 4.104 8.706 3.678 937 HG13 ILE 120 2HG1 ILE 120 4.237 10.452 3.859 938 HG21 ILE 120 1HG2 ILE 120 2.904 8.435 1.027 939 HG22 ILE 120 2HG2 ILE 120 4.430 7.663 1.456 940 HG23 ILE 120 3HG2 ILE 120 4.325 8.661 0.007 941 HD11 ILE 120 1HD1 ILE 120 1.868 8.979 2.742 942 HD12 ILE 120 2HD1 ILE 120 2.002 10.723 2.947 943 HD13 ILE 120 3HD1 ILE 120 1.996 9.668 4.360 944 H LYS 121 H LYS 121 7.499 10.371 3.791 945 HA LYS 121 HA LYS 121 6.582 13.035 4.365 946 HB2 LYS 121 1HB LYS 121 7.256 11.484 6.157 947 HB3 LYS 121 2HB LYS 121 8.893 11.472 5.520 948 HG2 LYS 121 1HG LYS 121 9.187 13.790 6.042 949 HG3 LYS 121 2HG LYS 121 7.496 13.943 6.515 950 HD2 LYS 121 1HD LYS 121 9.508 12.157 7.880 951 HD3 LYS 121 2HD LYS 121 9.051 13.765 8.441 952 HE2 LYS 121 1HE LYS 121 7.233 11.375 8.160 953 HE3 LYS 121 2HE LYS 121 7.830 12.064 9.666 954 HZ1 LYS 121 1HZ LYS 121 5.961 13.321 7.738 955 HZ2 LYS 121 2HZ LYS 121 6.663 14.154 9.027 956 HZ3 LYS 121 3HZ LYS 121 5.631 12.850 9.326 957 H LYS 122 H LYS 122 7.502 14.898 3.821 958 HA LYS 122 HA LYS 122 9.893 14.815 2.123 959 HB2 LYS 122 1HB LYS 122 8.482 17.383 2.433 960 HB3 LYS 122 2HB LYS 122 9.165 16.639 1.021 961 HG2 LYS 122 1HG LYS 122 6.944 16.645 0.482 962 HG3 LYS 122 2HG LYS 122 7.154 15.025 1.136 963 HD2 LYS 122 1HD LYS 122 5.114 15.973 1.995 964 HD3 LYS 122 2HD LYS 122 6.280 15.832 3.308 965 HE2 LYS 122 1HE LYS 122 6.727 18.156 3.283 966 HE3 LYS 122 2HE LYS 122 5.885 18.371 1.750 967 HZ1 LYS 122 1HZ LYS 122 4.532 17.474 4.228 968 HZ2 LYS 122 2HZ LYS 122 3.808 17.991 2.782 969 HZ3 LYS 122 3HZ LYS 122 4.637 19.098 3.765 970 H ASP 123 H ASP 123 11.516 14.699 3.528 971 HA ASP 123 HA ASP 123 11.772 16.209 5.898 972 HB2 ASP 123 1HB ASP 123 13.905 14.956 4.156 973 HB3 ASP 123 2HB ASP 123 14.197 15.643 5.748 974 H21 ACD 201 H21 ACD 1 -4.580 4.766 1.507 975 H22 ACD 201 H22 ACD 1 -3.461 5.070 2.841 976 H31 ACD 201 H31 ACD 1 -2.115 6.553 1.396 977 H32 ACD 201 H32 ACD 1 -3.245 6.318 0.062 978 H41 ACD 201 H41 ACD 1 -2.719 3.868 0.072 979 H42 ACD 201 H42 ACD 1 -1.281 4.860 -0.233 980 H5 ACD 201 H5 ACD 1 -1.866 3.246 2.306 981 H6 ACD 201 H6 ACD 1 0.391 3.850 2.816 982 H71 ACD 201 H71 ACD 1 0.807 4.979 0.171 983 H72 ACD 201 H72 ACD 1 -0.087 6.223 1.047 984 H8 ACD 201 H8 ACD 1 1.809 6.575 2.595 985 H9 ACD 201 H9 ACD 1 3.891 5.557 2.040 986 H101 ACD 201 H101 ACD 1 2.790 4.631 -0.496 987 H102 ACD 201 H102 ACD 1 2.334 3.402 0.686 988 H11 ACD 201 H11 ACD 1 5.296 4.253 0.546 989 H12 ACD 201 H12 ACD 1 5.607 1.926 0.192 990 H131 ACD 201 H131 ACD 1 2.640 2.002 -0.543 991 H132 ACD 201 H132 ACD 1 3.724 0.614 -0.677 992 H14 ACD 201 H14 ACD 1 2.566 1.612 2.026 993 H15 ACD 201 H15 ACD 1 2.491 -0.733 2.435 994 H161 ACD 201 H161 ACD 1 2.737 -1.394 -0.366 995 H162 ACD 201 H162 ACD 1 4.383 -0.956 0.105 996 H171 ACD 201 H171 ACD 1 4.451 -2.656 1.812 997 H172 ACD 201 H172 ACD 1 2.719 -2.968 1.661 998 H181 ACD 201 H181 ACD 1 4.769 -3.458 -0.543 999 H182 ACD 201 H182 ACD 1 3.045 -3.833 -0.629 1000 H191 ACD 201 H191 ACD 1 5.077 -5.058 1.287 1001 H192 ACD 201 H192 ACD 1 3.341 -5.359 1.374 1002 H201 ACD 201 H201 ACD 1 3.410 -6.263 -0.931 1003 H202 ACD 201 H202 ACD 1 4.473 -7.137 0.117 1004 H203 ACD 201 H203 ACD 1 5.117 -5.982 -0.999 Start of MODEL 27 1 H1 MET 1 1H MET 1 14.285 11.080 -17.723 2 H2 MET 1 2H MET 1 13.672 12.208 -16.626 3 H3 MET 1 3H MET 1 13.793 10.582 -16.183 4 HA MET 1 HA MET 1 16.179 10.672 -16.333 5 HB2 MET 1 1HB MET 1 17.304 12.848 -16.599 6 HB3 MET 1 2HB MET 1 16.397 12.390 -18.029 7 HG2 MET 1 1HG MET 1 14.592 13.902 -17.358 8 HG3 MET 1 2HG MET 1 15.531 14.376 -15.944 9 HE1 MET 1 1HE MET 1 15.716 17.548 -18.259 10 HE2 MET 1 2HE MET 1 15.226 16.920 -16.685 11 HE3 MET 1 3HE MET 1 14.349 16.440 -18.138 12 H GLU 2 H GLU 2 13.803 12.795 -14.868 13 HA GLU 2 HA GLU 2 15.366 12.803 -12.391 14 HB2 GLU 2 1HB GLU 2 12.911 14.369 -13.160 15 HB3 GLU 2 2HB GLU 2 13.705 14.455 -11.596 16 HG2 GLU 2 1HG GLU 2 15.752 15.246 -12.738 17 HG3 GLU 2 2HG GLU 2 14.846 15.270 -14.251 18 H PHE 3 H PHE 3 14.933 11.411 -10.886 19 HA PHE 3 HA PHE 3 12.764 9.571 -11.146 20 HB2 PHE 3 1HB PHE 3 14.953 8.875 -10.300 21 HB3 PHE 3 2HB PHE 3 14.767 9.942 -8.904 22 HD1 PHE 3 HD1 PHE 3 13.305 7.004 -10.604 23 HD2 PHE 3 HD2 PHE 3 13.734 9.159 -6.966 24 HE1 PHE 3 HE1 PHE 3 12.238 5.152 -9.388 25 HE2 PHE 3 HE2 PHE 3 12.665 7.311 -5.738 26 HZ PHE 3 HZ PHE 3 11.916 5.302 -6.952 27 H THR 4 H THR 4 10.765 10.080 -10.611 28 HA THR 4 HA THR 4 10.290 12.031 -8.471 29 HB THR 4 HB THR 4 7.936 10.999 -9.884 30 HG1 THR 4 HG1 THR 4 9.900 12.537 -11.301 31 HG21 THR 4 1HG2 THR 4 9.020 13.772 -9.432 32 HG22 THR 4 2HG2 THR 4 7.936 12.902 -8.349 33 HG23 THR 4 3HG2 THR 4 7.389 13.358 -9.962 34 H VAL 5 H VAL 5 9.514 11.514 -6.604 35 HA VAL 5 HA VAL 5 8.499 8.774 -6.149 36 HB VAL 5 HB VAL 5 9.450 8.735 -4.073 37 HG11 VAL 5 1HG1 VAL 5 11.293 9.063 -5.557 38 HG12 VAL 5 2HG1 VAL 5 11.624 9.836 -4.008 39 HG13 VAL 5 3HG1 VAL 5 11.155 10.813 -5.401 40 HG21 VAL 5 1HG2 VAL 5 9.798 10.653 -2.605 41 HG22 VAL 5 2HG2 VAL 5 8.129 10.589 -3.179 42 HG23 VAL 5 3HG2 VAL 5 9.265 11.741 -3.887 43 H SER 6 H SER 6 6.731 8.612 -4.593 44 HA SER 6 HA SER 6 4.823 10.756 -5.098 45 HB2 SER 6 1HB SER 6 3.161 9.082 -4.232 46 HB3 SER 6 2HB SER 6 4.041 8.564 -5.668 47 HG SER 6 HG SER 6 4.914 7.894 -3.064 48 H THR 7 H THR 7 5.337 12.346 -3.632 49 HA THR 7 HA THR 7 5.681 11.796 -0.837 50 HB THR 7 HB THR 7 5.569 14.260 -0.553 51 HG1 THR 7 HG1 THR 7 4.993 14.158 -3.350 52 HG21 THR 7 1HG2 THR 7 7.703 13.181 -1.070 53 HG22 THR 7 2HG2 THR 7 7.607 14.785 -1.800 54 HG23 THR 7 3HG2 THR 7 7.373 13.348 -2.794 55 H THR 8 H THR 8 4.239 13.321 0.676 56 HA THR 8 HA THR 8 1.681 12.228 0.778 57 HB THR 8 HB THR 8 2.417 14.896 1.968 58 HG1 THR 8 HG1 THR 8 4.064 13.653 2.682 59 HG21 THR 8 1HG2 THR 8 0.599 12.664 2.874 60 HG22 THR 8 2HG2 THR 8 0.094 14.226 2.233 61 HG23 THR 8 3HG2 THR 8 0.930 14.139 3.783 62 H GLU 9 H GLU 9 2.832 15.269 -0.594 63 HA GLU 9 HA GLU 9 0.371 16.381 -1.279 64 HB2 GLU 9 1HB GLU 9 3.022 16.666 -2.695 65 HB3 GLU 9 2HB GLU 9 1.626 17.701 -2.945 66 HG2 GLU 9 1HG GLU 9 2.915 18.945 -1.505 67 HG3 GLU 9 2HG GLU 9 1.792 18.143 -0.409 68 H ASP 10 H ASP 10 2.521 14.270 -3.168 69 HA ASP 10 HA ASP 10 0.889 14.085 -5.461 70 HB2 ASP 10 1HB ASP 10 2.816 12.014 -4.366 71 HB3 ASP 10 2HB ASP 10 2.105 12.014 -5.977 72 H LEU 11 H LEU 11 1.005 12.261 -2.465 73 HA LEU 11 HA LEU 11 -0.651 10.155 -3.197 74 HB2 LEU 11 1HB LEU 11 0.710 10.048 -1.224 75 HB3 LEU 11 2HB LEU 11 -0.187 11.376 -0.480 76 HG LEU 11 HG LEU 11 -2.196 9.925 -0.453 77 HD11 LEU 11 1HD1 LEU 11 -1.986 7.565 -0.914 78 HD12 LEU 11 2HD1 LEU 11 -0.289 7.776 -1.346 79 HD13 LEU 11 3HD1 LEU 11 -1.552 8.497 -2.345 80 HD21 LEU 11 1HD2 LEU 11 -1.546 8.670 1.443 81 HD22 LEU 11 2HD2 LEU 11 -0.528 10.109 1.443 82 HD23 LEU 11 3HD2 LEU 11 0.124 8.565 0.892 83 H GLN 12 H GLN 12 -1.452 13.314 -1.830 84 HA GLN 12 HA GLN 12 -4.164 12.832 -1.294 85 HB2 GLN 12 1HB GLN 12 -2.741 15.391 -2.020 86 HB3 GLN 12 2HB GLN 12 -4.393 15.316 -1.422 87 HG2 GLN 12 1HG GLN 12 -3.609 14.366 0.670 88 HG3 GLN 12 2HG GLN 12 -1.953 14.377 0.064 89 HE21 GLN 12 1HE2 GLN 12 -0.841 16.297 -0.052 90 HE22 GLN 12 2HE2 GLN 12 -1.391 17.749 0.709 91 H ARG 13 H ARG 13 -2.498 13.757 -4.214 92 HA ARG 13 HA ARG 13 -4.738 14.437 -5.781 93 HB2 ARG 13 1HB ARG 13 -2.482 15.058 -6.428 94 HB3 ARG 13 2HB ARG 13 -2.019 13.369 -6.559 95 HG2 ARG 13 1HG ARG 13 -3.486 13.067 -8.453 96 HG3 ARG 13 2HG ARG 13 -4.085 14.726 -8.279 97 HD2 ARG 13 1HD ARG 13 -2.429 14.558 -10.061 98 HD3 ARG 13 2HD ARG 13 -1.860 15.589 -8.754 99 HE ARG 13 HE ARG 13 -0.931 12.838 -9.275 100 HH11 ARG 13 1HH1 ARG 13 -0.439 16.023 -7.903 101 HH12 ARG 13 2HH1 ARG 13 1.230 15.745 -7.533 102 HH21 ARG 13 1HH2 ARG 13 1.278 12.462 -8.774 103 HH22 ARG 13 2HH2 ARG 13 2.205 13.718 -7.996 104 H TYR 14 H TYR 14 -3.034 11.377 -5.235 105 HA TYR 14 HA TYR 14 -4.504 9.986 -7.247 106 HB2 TYR 14 1HB TYR 14 -2.809 8.864 -5.011 107 HB3 TYR 14 2HB TYR 14 -3.384 7.983 -6.425 108 HD1 TYR 14 HD1 TYR 14 -2.902 9.615 -8.670 109 HD2 TYR 14 HD2 TYR 14 -0.516 9.222 -5.175 110 HE1 TYR 14 HE1 TYR 14 -0.929 10.323 -9.946 111 HE2 TYR 14 HE2 TYR 14 1.466 9.939 -6.439 112 HH TYR 14 HH TYR 14 2.238 9.999 -8.773 113 H ARG 15 H ARG 15 -4.868 10.345 -3.745 114 HA ARG 15 HA ARG 15 -6.810 8.317 -3.447 115 HB2 ARG 15 1HB ARG 15 -6.988 10.801 -1.789 116 HB3 ARG 15 2HB ARG 15 -7.280 9.144 -1.334 117 HG2 ARG 15 1HG ARG 15 -4.798 8.760 -1.514 118 HG3 ARG 15 2HG ARG 15 -4.631 10.514 -1.680 119 HD2 ARG 15 1HD ARG 15 -5.645 8.928 0.664 120 HD3 ARG 15 2HD ARG 15 -4.355 10.130 0.623 121 HE ARG 15 HE ARG 15 -6.300 11.735 0.101 122 HH11 ARG 15 1HH1 ARG 15 -6.527 8.918 2.188 123 HH12 ARG 15 2HH1 ARG 15 -7.829 9.582 3.131 124 HH21 ARG 15 1HH2 ARG 15 -8.000 12.601 1.345 125 HH22 ARG 15 2HH2 ARG 15 -8.662 11.680 2.662 126 H THR 16 H THR 16 -6.981 11.694 -4.353 127 HA THR 16 HA THR 16 -9.733 12.074 -4.181 128 HB THR 16 HB THR 16 -7.625 13.339 -5.920 129 HG1 THR 16 HG1 THR 16 -7.302 13.975 -3.868 130 HG21 THR 16 1HG2 THR 16 -9.225 15.126 -6.399 131 HG22 THR 16 2HG2 THR 16 -10.485 14.230 -5.551 132 HG23 THR 16 3HG2 THR 16 -9.786 13.578 -7.035 133 H GLU 17 H GLU 17 -7.735 11.144 -6.968 134 HA GLU 17 HA GLU 17 -9.868 10.886 -8.806 135 HB2 GLU 17 1HB GLU 17 -7.322 9.290 -8.997 136 HB3 GLU 17 2HB GLU 17 -8.318 9.925 -10.293 137 HG2 GLU 17 1HG GLU 17 -6.720 11.646 -8.416 138 HG3 GLU 17 2HG GLU 17 -6.190 11.141 -10.024 139 H CYS 18 H CYS 18 -8.247 8.493 -6.742 140 HA CYS 18 HA CYS 18 -9.674 6.273 -7.760 141 HB2 CYS 18 1HB CYS 18 -8.229 6.657 -5.136 142 HB3 CYS 18 2HB CYS 18 -8.933 5.123 -5.665 143 H VAL 19 H VAL 19 -10.373 8.584 -5.228 144 HA VAL 19 HA VAL 19 -12.439 7.118 -3.994 145 HB VAL 19 HB VAL 19 -11.645 10.002 -3.957 146 HG11 VAL 19 1HG1 VAL 19 -14.084 10.039 -3.991 147 HG12 VAL 19 2HG1 VAL 19 -13.458 10.503 -2.406 148 HG13 VAL 19 3HG1 VAL 19 -14.124 8.890 -2.650 149 HG21 VAL 19 1HG2 VAL 19 -11.409 9.506 -1.544 150 HG22 VAL 19 2HG2 VAL 19 -10.398 8.491 -2.571 151 HG23 VAL 19 3HG2 VAL 19 -11.883 7.839 -1.876 152 H SER 20 H SER 20 -12.491 9.754 -6.351 153 HA SER 20 HA SER 20 -15.288 9.756 -6.686 154 HB2 SER 20 1HB SER 20 -14.691 11.039 -8.811 155 HB3 SER 20 2HB SER 20 -14.101 11.706 -7.288 156 HG SER 20 HG SER 20 -12.131 11.416 -7.942 157 H SER 21 H SER 21 -12.708 8.008 -8.341 158 HA SER 21 HA SER 21 -14.343 7.084 -10.494 159 HB2 SER 21 1HB SER 21 -11.865 7.293 -10.606 160 HB3 SER 21 2HB SER 21 -11.727 5.961 -9.462 161 HG SER 21 HG SER 21 -13.236 5.590 -11.802 162 H LEU 22 H LEU 22 -13.180 5.596 -7.460 163 HA LEU 22 HA LEU 22 -14.677 3.183 -8.014 164 HB2 LEU 22 1HB LEU 22 -12.881 4.058 -5.770 165 HB3 LEU 22 2HB LEU 22 -13.778 2.537 -5.709 166 HG LEU 22 HG LEU 22 -11.836 3.255 -7.901 167 HD11 LEU 22 1HD1 LEU 22 -11.418 1.577 -5.432 168 HD12 LEU 22 2HD1 LEU 22 -10.664 3.133 -5.770 169 HD13 LEU 22 3HD1 LEU 22 -10.278 1.733 -6.770 170 HD21 LEU 22 1HD2 LEU 22 -13.531 1.604 -8.499 171 HD22 LEU 22 2HD2 LEU 22 -13.100 0.645 -7.082 172 HD23 LEU 22 3HD2 LEU 22 -11.932 0.870 -8.385 173 H ASN 23 H ASN 23 -15.699 6.056 -7.121 174 HA ASN 23 HA ASN 23 -17.444 6.939 -5.956 175 HB2 ASN 23 1HB ASN 23 -18.457 4.112 -6.248 176 HB3 ASN 23 2HB ASN 23 -19.430 5.458 -5.686 177 HD21 ASN 23 1HD2 ASN 23 -20.021 7.075 -7.122 178 HD22 ASN 23 2HD2 ASN 23 -19.917 6.853 -8.838 179 H ILE 24 H ILE 24 -15.248 6.052 -4.368 180 HA ILE 24 HA ILE 24 -16.036 4.687 -2.036 181 HB ILE 24 HB ILE 24 -13.913 6.826 -2.247 182 HG12 ILE 24 1HG1 ILE 24 -13.609 5.087 -3.988 183 HG13 ILE 24 2HG1 ILE 24 -12.330 5.048 -2.778 184 HG21 ILE 24 1HG2 ILE 24 -14.461 6.209 0.037 185 HG22 ILE 24 2HG2 ILE 24 -12.861 5.607 -0.393 186 HG23 ILE 24 3HG2 ILE 24 -14.236 4.502 -0.350 187 HD11 ILE 24 1HD1 ILE 24 -14.683 3.179 -2.969 188 HD12 ILE 24 2HD1 ILE 24 -13.465 3.146 -1.694 189 HD13 ILE 24 3HD1 ILE 24 -13.005 2.807 -3.363 190 HA PRO 25 HA PRO 25 -18.675 7.866 -0.299 191 HB2 PRO 25 1HB PRO 25 -18.479 6.279 2.151 192 HB3 PRO 25 2HB PRO 25 -19.896 6.688 1.188 193 HG2 PRO 25 1HG PRO 25 -18.861 4.198 1.285 194 HG3 PRO 25 2HG PRO 25 -19.698 4.846 -0.136 195 HD2 PRO 25 1HD PRO 25 -16.773 4.478 0.341 196 HD3 PRO 25 2HD PRO 25 -17.710 4.308 -1.164 197 H ALA 26 H ALA 26 -18.289 9.634 0.830 198 HA ALA 26 HA ALA 26 -15.680 10.454 1.258 199 HB1 ALA 26 1HB ALA 26 -17.589 11.936 0.837 200 HB2 ALA 26 2HB ALA 26 -16.625 12.453 2.220 201 HB3 ALA 26 3HB ALA 26 -18.163 11.631 2.476 202 H ASP 27 H ASP 27 -17.929 9.042 3.567 203 HA ASP 27 HA ASP 27 -16.640 9.817 5.923 204 HB2 ASP 27 1HB ASP 27 -17.856 8.102 7.051 205 HB3 ASP 27 2HB ASP 27 -18.904 8.781 5.817 206 H TYR 28 H TYR 28 -16.136 6.861 3.961 207 HA TYR 28 HA TYR 28 -14.061 5.788 5.477 208 HB2 TYR 28 1HB TYR 28 -14.757 5.636 2.558 209 HB3 TYR 28 2HB TYR 28 -13.301 4.855 3.167 210 HD1 TYR 28 HD1 TYR 28 -16.968 4.858 3.218 211 HD2 TYR 28 HD2 TYR 28 -13.455 2.845 4.516 212 HE1 TYR 28 HE1 TYR 28 -18.321 2.895 3.812 213 HE2 TYR 28 HE2 TYR 28 -14.802 0.878 5.120 214 HH TYR 28 HH TYR 28 -17.148 0.357 5.711 215 H VAL 29 H VAL 29 -14.041 8.217 2.927 216 HA VAL 29 HA VAL 29 -11.311 8.315 2.397 217 HB VAL 29 HB VAL 29 -13.279 10.585 2.222 218 HG11 VAL 29 1HG1 VAL 29 -10.633 10.109 0.864 219 HG12 VAL 29 2HG1 VAL 29 -10.994 11.360 2.052 220 HG13 VAL 29 3HG1 VAL 29 -11.754 11.410 0.462 221 HG21 VAL 29 1HG2 VAL 29 -14.115 8.682 1.025 222 HG22 VAL 29 2HG2 VAL 29 -12.546 8.427 0.263 223 HG23 VAL 29 3HG2 VAL 29 -13.498 9.857 -0.138 224 H GLU 30 H GLU 30 -13.236 10.264 4.674 225 HA GLU 30 HA GLU 30 -11.099 11.828 5.657 226 HB2 GLU 30 1HB GLU 30 -13.407 11.014 7.394 227 HB3 GLU 30 2HB GLU 30 -12.544 12.546 7.325 228 HG2 GLU 30 1HG GLU 30 -13.541 13.017 5.163 229 HG3 GLU 30 2HG GLU 30 -14.416 11.490 5.234 230 H LYS 31 H LYS 31 -12.325 8.666 6.509 231 HA LYS 31 HA LYS 31 -10.910 8.500 8.966 232 HB2 LYS 31 1HB LYS 31 -12.417 6.925 9.340 233 HB3 LYS 31 2HB LYS 31 -13.009 7.129 7.695 234 HG2 LYS 31 1HG LYS 31 -11.564 5.370 6.911 235 HG3 LYS 31 2HG LYS 31 -10.813 5.224 8.503 236 HD2 LYS 31 1HD LYS 31 -13.728 4.732 7.870 237 HD3 LYS 31 2HD LYS 31 -12.506 3.472 8.113 238 HE2 LYS 31 1HE LYS 31 -12.177 4.244 10.422 239 HE3 LYS 31 2HE LYS 31 -13.372 5.516 10.173 240 HZ1 LYS 31 1HZ LYS 31 -14.347 3.647 11.311 241 HZ2 LYS 31 2HZ LYS 31 -13.887 2.594 10.073 242 HZ3 LYS 31 3HZ LYS 31 -15.038 3.795 9.777 243 H PHE 32 H PHE 32 -10.117 7.708 5.663 244 HA PHE 32 HA PHE 32 -7.992 5.911 6.215 245 HB2 PHE 32 1HB PHE 32 -8.381 7.714 3.822 246 HB3 PHE 32 2HB PHE 32 -7.220 6.399 3.931 247 HD1 PHE 32 HD1 PHE 32 -9.752 7.032 2.067 248 HD2 PHE 32 HD2 PHE 32 -8.905 4.329 5.242 249 HE1 PHE 32 HE1 PHE 32 -11.411 5.457 1.166 250 HE2 PHE 32 HE2 PHE 32 -10.563 2.754 4.342 251 HZ PHE 32 HZ PHE 32 -11.814 3.310 2.299 252 H LYS 33 H LYS 33 -8.258 9.392 6.114 253 HA LYS 33 HA LYS 33 -5.460 9.911 6.004 254 HB2 LYS 33 1HB LYS 33 -7.400 11.506 5.425 255 HB3 LYS 33 2HB LYS 33 -7.483 11.807 7.160 256 HG2 LYS 33 1HG LYS 33 -5.241 12.625 7.205 257 HG3 LYS 33 2HG LYS 33 -4.985 12.154 5.520 258 HD2 LYS 33 1HD LYS 33 -7.019 14.193 6.419 259 HD3 LYS 33 2HD LYS 33 -5.399 14.596 5.862 260 HE2 LYS 33 1HE LYS 33 -5.891 13.526 3.708 261 HE3 LYS 33 2HE LYS 33 -7.520 13.162 4.269 262 HZ1 LYS 33 1HZ LYS 33 -6.377 15.883 3.960 263 HZ2 LYS 33 2HZ LYS 33 -7.949 15.525 4.467 264 HZ3 LYS 33 3HZ LYS 33 -7.460 15.149 2.891 265 H LYS 34 H LYS 34 -7.593 8.979 8.530 266 HA LYS 34 HA LYS 34 -5.775 9.815 10.628 267 HB2 LYS 34 1HB LYS 34 -8.397 8.348 10.626 268 HB3 LYS 34 2HB LYS 34 -7.383 8.343 12.061 269 HG2 LYS 34 1HG LYS 34 -8.894 10.071 12.420 270 HG3 LYS 34 2HG LYS 34 -7.433 10.892 11.871 271 HD2 LYS 34 1HD LYS 34 -8.362 11.063 9.623 272 HD3 LYS 34 2HD LYS 34 -9.810 10.200 10.146 273 HE2 LYS 34 1HE LYS 34 -10.233 12.016 11.785 274 HE3 LYS 34 2HE LYS 34 -8.859 12.893 11.110 275 HZ1 LYS 34 1HZ LYS 34 -11.365 12.154 9.713 276 HZ2 LYS 34 2HZ LYS 34 -10.018 12.816 8.941 277 HZ3 LYS 34 3HZ LYS 34 -10.843 13.712 10.111 278 H TRP 35 H TRP 35 -5.399 7.718 8.384 279 HA TRP 35 HA TRP 35 -4.275 5.809 8.012 280 HB2 TRP 35 1HB TRP 35 -3.241 6.420 10.777 281 HB3 TRP 35 2HB TRP 35 -2.603 5.119 9.762 282 HD1 TRP 35 HD1 TRP 35 -2.338 8.818 10.354 283 HE1 TRP 35 HE1 TRP 35 -0.640 9.838 8.706 284 HE3 TRP 35 HE3 TRP 35 -1.757 4.829 7.216 285 HZ2 TRP 35 HZ2 TRP 35 0.751 9.054 6.379 286 HZ3 TRP 35 HZ3 TRP 35 -0.231 5.039 5.306 287 HH2 TRP 35 HH2 TRP 35 1.001 7.104 4.891 288 H GLU 36 H GLU 36 -6.899 5.396 8.720 289 HA GLU 36 HA GLU 36 -6.658 2.827 10.127 290 HB2 GLU 36 1HB GLU 36 -8.985 4.746 10.227 291 HB3 GLU 36 2HB GLU 36 -8.984 3.128 10.915 292 HG2 GLU 36 1HG GLU 36 -7.075 3.819 12.348 293 HG3 GLU 36 2HG GLU 36 -7.282 5.456 11.736 294 H PHE 37 H PHE 37 -6.807 1.299 8.675 295 HA PHE 37 HA PHE 37 -8.628 1.681 6.389 296 HB2 PHE 37 1HB PHE 37 -6.146 -0.055 6.517 297 HB3 PHE 37 2HB PHE 37 -7.134 0.251 5.090 298 HD1 PHE 37 HD1 PHE 37 -6.897 2.279 3.833 299 HD2 PHE 37 HD2 PHE 37 -4.742 1.717 7.462 300 HE1 PHE 37 HE1 PHE 37 -5.507 4.239 3.311 301 HE2 PHE 37 HE2 PHE 37 -3.346 3.669 6.939 302 HZ PHE 37 HZ PHE 37 -3.728 4.936 4.864 303 HA PRO 38 HA PRO 38 -10.681 -1.731 8.662 304 HB2 PRO 38 1HB PRO 38 -12.772 -0.977 6.702 305 HB3 PRO 38 2HB PRO 38 -12.890 -1.211 8.455 306 HG2 PRO 38 1HG PRO 38 -12.968 1.237 7.425 307 HG3 PRO 38 2HG PRO 38 -12.077 0.911 8.923 308 HD2 PRO 38 1HD PRO 38 -11.009 1.235 6.135 309 HD3 PRO 38 2HD PRO 38 -10.379 1.897 7.671 310 H GLU 39 H GLU 39 -11.019 -3.787 8.071 311 HA GLU 39 HA GLU 39 -9.987 -4.622 5.525 312 HB2 GLU 39 1HB GLU 39 -9.455 -5.796 7.627 313 HB3 GLU 39 2HB GLU 39 -11.143 -6.240 7.797 314 HG2 GLU 39 1HG GLU 39 -11.046 -7.686 5.933 315 HG3 GLU 39 2HG GLU 39 -9.475 -7.051 5.439 316 H ASP 40 H ASP 40 -11.530 -3.694 4.159 317 HA ASP 40 HA ASP 40 -13.978 -5.240 3.828 318 HB2 ASP 40 1HB ASP 40 -14.728 -3.417 5.270 319 HB3 ASP 40 2HB ASP 40 -13.988 -2.229 4.201 320 H ASP 41 H ASP 41 -14.809 -5.164 1.704 321 HA ASP 41 HA ASP 41 -12.968 -5.143 -0.338 322 HB2 ASP 41 1HB ASP 41 -15.190 -6.178 -0.506 323 HB3 ASP 41 2HB ASP 41 -15.930 -4.584 -0.598 324 H THR 42 H THR 42 -15.080 -2.478 0.654 325 HA THR 42 HA THR 42 -14.679 -0.672 -1.399 326 HB THR 42 HB THR 42 -14.846 0.077 1.517 327 HG1 THR 42 HG1 THR 42 -16.518 -1.304 1.286 328 HG21 THR 42 1HG2 THR 42 -15.825 1.412 -1.004 329 HG22 THR 42 2HG2 THR 42 -14.479 1.942 0.006 330 HG23 THR 42 3HG2 THR 42 -16.126 1.989 0.634 331 H THR 43 H THR 43 -12.901 -0.753 1.680 332 HA THR 43 HA THR 43 -10.964 1.155 1.058 333 HB THR 43 HB THR 43 -10.605 -1.222 2.887 334 HG1 THR 43 HG1 THR 43 -11.396 0.513 4.448 335 HG21 THR 43 1HG2 THR 43 -8.557 0.032 2.558 336 HG22 THR 43 2HG2 THR 43 -9.187 0.369 4.173 337 HG23 THR 43 3HG2 THR 43 -9.398 1.548 2.878 338 H MET 44 H MET 44 -11.151 -2.257 0.318 339 HA MET 44 HA MET 44 -8.389 -2.676 -0.114 340 HB2 MET 44 1HB MET 44 -10.769 -4.247 -1.086 341 HB3 MET 44 2HB MET 44 -9.100 -4.795 -1.181 342 HG2 MET 44 1HG MET 44 -8.942 -4.695 1.257 343 HG3 MET 44 2HG MET 44 -10.618 -4.166 1.336 344 HE1 MET 44 1HE MET 44 -9.433 -6.595 2.950 345 HE2 MET 44 2HE MET 44 -10.707 -7.800 2.757 346 HE3 MET 44 3HE MET 44 -11.126 -6.111 3.051 347 H CYS 45 H CYS 45 -11.067 -2.306 -2.460 348 HA CYS 45 HA CYS 45 -9.372 -2.281 -4.716 349 HB2 CYS 45 1HB CYS 45 -12.150 -1.137 -4.354 350 HB3 CYS 45 2HB CYS 45 -11.307 -1.202 -5.897 351 H TYR 46 H TYR 46 -10.381 0.195 -2.482 352 HA TYR 46 HA TYR 46 -9.556 2.450 -3.908 353 HB2 TYR 46 1HB TYR 46 -10.864 2.835 -2.000 354 HB3 TYR 46 2HB TYR 46 -9.836 1.834 -0.975 355 HD1 TYR 46 HD1 TYR 46 -8.296 2.869 0.413 356 HD2 TYR 46 HD2 TYR 46 -9.744 4.981 -2.992 357 HE1 TYR 46 HE1 TYR 46 -7.097 4.880 1.156 358 HE2 TYR 46 HE2 TYR 46 -8.549 6.995 -2.249 359 HH TYR 46 HH TYR 46 -6.394 6.947 0.539 360 H ILE 47 H ILE 47 -7.820 0.460 -1.532 361 HA ILE 47 HA ILE 47 -5.367 1.777 -1.632 362 HB ILE 47 HB ILE 47 -6.024 -1.094 -1.011 363 HG12 ILE 47 1HG1 ILE 47 -6.935 0.513 0.574 364 HG13 ILE 47 2HG1 ILE 47 -5.614 -0.372 1.332 365 HG21 ILE 47 1HG2 ILE 47 -3.371 0.305 -0.684 366 HG22 ILE 47 2HG2 ILE 47 -3.724 -1.046 -1.762 367 HG23 ILE 47 3HG2 ILE 47 -3.772 -1.277 -0.013 368 HD11 ILE 47 1HD1 ILE 47 -5.389 1.887 1.976 369 HD12 ILE 47 2HD1 ILE 47 -5.611 2.461 0.325 370 HD13 ILE 47 3HD1 ILE 47 -4.138 1.597 0.769 371 H LYS 48 H LYS 48 -6.669 -0.811 -3.641 372 HA LYS 48 HA LYS 48 -4.283 -1.449 -4.977 373 HB2 LYS 48 1HB LYS 48 -6.445 -2.794 -4.898 374 HB3 LYS 48 2HB LYS 48 -7.055 -1.715 -6.140 375 HG2 LYS 48 1HG LYS 48 -4.454 -3.076 -6.602 376 HG3 LYS 48 2HG LYS 48 -5.932 -4.023 -6.731 377 HD2 LYS 48 1HD LYS 48 -5.500 -1.440 -8.214 378 HD3 LYS 48 2HD LYS 48 -5.063 -3.015 -8.878 379 HE2 LYS 48 1HE LYS 48 -7.446 -3.720 -8.479 380 HE3 LYS 48 2HE LYS 48 -7.804 -2.036 -8.101 381 HZ1 LYS 48 1HZ LYS 48 -7.063 -1.418 -10.312 382 HZ2 LYS 48 2HZ LYS 48 -8.304 -2.562 -10.405 383 HZ3 LYS 48 3HZ LYS 48 -6.698 -3.034 -10.675 384 H CYS 49 H CYS 49 -6.996 0.653 -5.905 385 HA CYS 49 HA CYS 49 -5.970 1.587 -8.311 386 HB2 CYS 49 1HB CYS 49 -8.234 2.027 -7.792 387 HB3 CYS 49 2HB CYS 49 -7.824 2.886 -6.310 388 H VAL 50 H VAL 50 -5.571 2.932 -5.036 389 HA VAL 50 HA VAL 50 -4.170 5.230 -5.779 390 HB VAL 50 HB VAL 50 -4.243 3.702 -3.183 391 HG11 VAL 50 1HG1 VAL 50 -3.310 5.703 -2.128 392 HG12 VAL 50 2HG1 VAL 50 -3.080 6.433 -3.717 393 HG13 VAL 50 3HG1 VAL 50 -2.173 4.986 -3.270 394 HG21 VAL 50 1HG2 VAL 50 -6.356 4.628 -3.798 395 HG22 VAL 50 2HG2 VAL 50 -5.615 6.184 -4.166 396 HG23 VAL 50 3HG2 VAL 50 -5.672 5.608 -2.500 397 H PHE 51 H PHE 51 -3.033 2.080 -4.639 398 HA PHE 51 HA PHE 51 -0.302 2.690 -4.647 399 HB2 PHE 51 1HB PHE 51 -1.936 0.203 -4.557 400 HB3 PHE 51 2HB PHE 51 -0.217 0.044 -4.909 401 HD1 PHE 51 HD1 PHE 51 -1.618 2.637 -2.706 402 HD2 PHE 51 HD2 PHE 51 0.324 -1.144 -2.914 403 HE1 PHE 51 HE1 PHE 51 -1.169 2.738 -0.289 404 HE2 PHE 51 HE2 PHE 51 0.775 -1.046 -0.499 405 HZ PHE 51 HZ PHE 51 0.031 0.894 0.816 406 H ASN 52 H ASN 52 -2.504 1.796 -7.142 407 HA ASN 52 HA ASN 52 -0.542 0.926 -9.050 408 HB2 ASN 52 1HB ASN 52 -2.870 0.115 -9.112 409 HB3 ASN 52 2HB ASN 52 -3.435 1.758 -9.428 410 HD21 ASN 52 1HD2 ASN 52 -0.552 0.299 -10.835 411 HD22 ASN 52 2HD2 ASN 52 -1.149 0.266 -12.459 412 H LYS 53 H LYS 53 -2.323 3.888 -8.382 413 HA LYS 53 HA LYS 53 -1.311 5.296 -10.660 414 HB2 LYS 53 1HB LYS 53 -2.885 6.040 -8.225 415 HB3 LYS 53 2HB LYS 53 -2.220 7.304 -9.253 416 HG2 LYS 53 1HG LYS 53 -3.487 6.426 -11.151 417 HG3 LYS 53 2HG LYS 53 -4.102 5.115 -10.143 418 HD2 LYS 53 1HD LYS 53 -5.259 6.701 -8.726 419 HD3 LYS 53 2HD LYS 53 -4.571 8.053 -9.629 420 HE2 LYS 53 1HE LYS 53 -6.871 7.631 -10.316 421 HE3 LYS 53 2HE LYS 53 -5.750 7.319 -11.638 422 HZ1 LYS 53 1HZ LYS 53 -5.943 4.975 -11.263 423 HZ2 LYS 53 2HZ LYS 53 -7.499 5.620 -11.404 424 HZ3 LYS 53 3HZ LYS 53 -6.890 5.215 -9.881 425 H MET 54 H MET 54 -0.146 4.629 -7.512 426 HA MET 54 HA MET 54 1.743 6.830 -7.509 427 HB2 MET 54 1HB MET 54 1.167 4.594 -5.582 428 HB3 MET 54 2HB MET 54 2.525 5.694 -5.368 429 HG2 MET 54 1HG MET 54 1.111 7.535 -5.088 430 HG3 MET 54 2HG MET 54 -0.292 6.657 -5.688 431 HE1 MET 54 1HE MET 54 2.501 5.863 -2.888 432 HE2 MET 54 2HE MET 54 1.552 6.398 -1.498 433 HE3 MET 54 3HE MET 54 1.971 7.539 -2.769 434 H GLN 55 H GLN 55 1.661 4.201 -9.275 435 HA GLN 55 HA GLN 55 3.110 2.793 -10.268 436 HB2 GLN 55 1HB GLN 55 4.804 5.162 -9.629 437 HB3 GLN 55 2HB GLN 55 5.584 3.726 -10.286 438 HG2 GLN 55 1HG GLN 55 5.122 5.213 -12.077 439 HG3 GLN 55 2HG GLN 55 4.007 3.858 -12.209 440 HE21 GLN 55 1HE2 GLN 55 4.328 7.237 -11.422 441 HE22 GLN 55 2HE2 GLN 55 2.641 7.618 -11.501 442 H LEU 56 H LEU 56 2.506 2.041 -7.699 443 HA LEU 56 HA LEU 56 5.067 1.091 -6.640 444 HB2 LEU 56 1HB LEU 56 2.822 2.464 -5.354 445 HB3 LEU 56 2HB LEU 56 3.357 1.023 -4.475 446 HG LEU 56 HG LEU 56 5.076 3.372 -5.277 447 HD11 LEU 56 1HD1 LEU 56 3.504 3.979 -3.529 448 HD12 LEU 56 2HD1 LEU 56 5.129 3.845 -2.864 449 HD13 LEU 56 3HD1 LEU 56 3.961 2.555 -2.597 450 HD21 LEU 56 1HD2 LEU 56 6.703 2.298 -3.714 451 HD22 LEU 56 2HD2 LEU 56 6.432 1.410 -5.212 452 HD23 LEU 56 3HD2 LEU 56 5.668 0.872 -3.715 453 H PHE 57 H PHE 57 1.930 0.328 -7.710 454 HA PHE 57 HA PHE 57 2.403 -2.514 -7.239 455 HB2 PHE 57 1HB PHE 57 0.926 -1.904 -5.409 456 HB3 PHE 57 2HB PHE 57 -0.131 -1.022 -6.497 457 HD1 PHE 57 HD1 PHE 57 0.896 -4.346 -5.341 458 HD2 PHE 57 HD2 PHE 57 -1.759 -2.157 -7.849 459 HE1 PHE 57 HE1 PHE 57 -0.507 -6.348 -5.605 460 HE2 PHE 57 HE2 PHE 57 -3.158 -4.160 -8.119 461 HZ PHE 57 HZ PHE 57 -2.535 -6.257 -6.995 462 H ASP 58 H ASP 58 1.897 -3.711 -8.959 463 HA ASP 58 HA ASP 58 0.649 -2.349 -11.243 464 HB2 ASP 58 1HB ASP 58 2.870 -3.301 -11.678 465 HB3 ASP 58 2HB ASP 58 2.318 -4.880 -11.139 466 H ASP 59 H ASP 59 -1.218 -3.056 -12.082 467 HA ASP 59 HA ASP 59 -3.024 -4.353 -10.371 468 HB2 ASP 59 1HB ASP 59 -3.731 -2.722 -12.033 469 HB3 ASP 59 2HB ASP 59 -3.241 -3.789 -13.331 470 H THR 60 H THR 60 -0.830 -5.643 -12.666 471 HA THR 60 HA THR 60 -2.231 -8.224 -12.646 472 HB THR 60 HB THR 60 -0.277 -7.012 -14.579 473 HG1 THR 60 HG1 THR 60 -3.015 -7.611 -14.545 474 HG21 THR 60 1HG2 THR 60 -0.391 -9.096 -15.857 475 HG22 THR 60 2HG2 THR 60 -1.339 -9.838 -14.568 476 HG23 THR 60 3HG2 THR 60 0.330 -9.352 -14.269 477 H GLU 61 H GLU 61 1.065 -6.843 -12.559 478 HA GLU 61 HA GLU 61 2.172 -9.390 -11.719 479 HB2 GLU 61 1HB GLU 61 3.653 -6.780 -12.004 480 HB3 GLU 61 2HB GLU 61 4.300 -8.416 -12.033 481 HG2 GLU 61 1HG GLU 61 3.079 -8.865 -14.103 482 HG3 GLU 61 2HG GLU 61 2.499 -7.203 -14.101 483 H GLY 62 H GLY 62 0.721 -6.936 -10.011 484 HA2 GLY 62 1HA GLY 62 0.385 -6.990 -7.705 485 HA3 GLY 62 2HA GLY 62 1.689 -8.169 -7.575 486 HA PRO 63 HA PRO 63 3.203 -4.307 -5.547 487 HB2 PRO 63 1HB PRO 63 4.827 -6.292 -4.085 488 HB3 PRO 63 2HB PRO 63 3.779 -5.013 -3.460 489 HG2 PRO 63 1HG PRO 63 3.114 -7.621 -3.313 490 HG3 PRO 63 2HG PRO 63 1.908 -6.335 -3.504 491 HD2 PRO 63 1HD PRO 63 2.995 -8.242 -5.541 492 HD3 PRO 63 2HD PRO 63 1.346 -7.584 -5.368 493 H LEU 64 H LEU 64 4.829 -3.218 -6.409 494 HA LEU 64 HA LEU 64 6.936 -4.682 -7.810 495 HB2 LEU 64 1HB LEU 64 6.420 -1.705 -7.801 496 HB3 LEU 64 2HB LEU 64 7.457 -2.600 -8.895 497 HG LEU 64 HG LEU 64 4.455 -2.892 -8.758 498 HD11 LEU 64 1HD1 LEU 64 4.451 -1.786 -10.933 499 HD12 LEU 64 2HD1 LEU 64 6.190 -1.535 -10.814 500 HD13 LEU 64 3HD1 LEU 64 5.104 -0.734 -9.680 501 HD21 LEU 64 1HD2 LEU 64 4.696 -4.261 -10.741 502 HD22 LEU 64 2HD2 LEU 64 5.636 -4.940 -9.410 503 HD23 LEU 64 3HD2 LEU 64 6.448 -4.050 -10.697 504 H VAL 65 H VAL 65 8.244 -5.391 -6.287 505 HA VAL 65 HA VAL 65 8.800 -4.339 -3.822 506 HB VAL 65 HB VAL 65 10.532 -6.092 -5.546 507 HG11 VAL 65 1HG1 VAL 65 11.892 -5.065 -3.820 508 HG12 VAL 65 2HG1 VAL 65 11.630 -6.772 -3.455 509 HG13 VAL 65 3HG1 VAL 65 10.720 -5.535 -2.588 510 HG21 VAL 65 1HG2 VAL 65 8.516 -6.685 -3.394 511 HG22 VAL 65 2HG2 VAL 65 9.589 -7.884 -4.117 512 HG23 VAL 65 3HG2 VAL 65 8.385 -7.066 -5.110 513 H ASP 66 H ASP 66 10.624 -3.814 -6.821 514 HA ASP 66 HA ASP 66 12.827 -2.506 -5.707 515 HB2 ASP 66 1HB ASP 66 11.571 -2.083 -8.423 516 HB3 ASP 66 2HB ASP 66 13.194 -1.585 -7.957 517 H ASN 67 H ASN 67 9.921 -1.070 -7.184 518 HA ASN 67 HA ASN 67 10.528 1.592 -6.545 519 HB2 ASN 67 1HB ASN 67 7.897 0.217 -7.081 520 HB3 ASN 67 2HB ASN 67 8.047 1.953 -6.846 521 HD21 ASN 67 1HD2 ASN 67 7.262 2.313 -8.918 522 HD22 ASN 67 2HD2 ASN 67 8.247 2.071 -10.324 523 H LEU 68 H LEU 68 8.908 -0.945 -4.790 524 HA LEU 68 HA LEU 68 7.782 0.556 -2.725 525 HB2 LEU 68 1HB LEU 68 8.606 -2.298 -3.039 526 HB3 LEU 68 2HB LEU 68 8.115 -1.713 -1.458 527 HG LEU 68 HG LEU 68 6.380 -1.337 -3.883 528 HD11 LEU 68 1HD1 LEU 68 5.161 -3.347 -3.221 529 HD12 LEU 68 2HD1 LEU 68 6.360 -3.666 -1.964 530 HD13 LEU 68 3HD1 LEU 68 6.825 -3.728 -3.664 531 HD21 LEU 68 1HD2 LEU 68 4.621 -1.164 -2.205 532 HD22 LEU 68 2HD2 LEU 68 5.891 0.026 -1.924 533 HD23 LEU 68 3HD2 LEU 68 5.810 -1.427 -0.930 534 H VAL 69 H VAL 69 10.973 -0.963 -2.973 535 HA VAL 69 HA VAL 69 11.854 -0.186 -0.380 536 HB VAL 69 HB VAL 69 13.488 -0.874 -2.815 537 HG11 VAL 69 1HG1 VAL 69 14.822 0.267 -1.160 538 HG12 VAL 69 2HG1 VAL 69 15.229 -1.449 -1.160 539 HG13 VAL 69 3HG1 VAL 69 14.198 -0.785 0.109 540 HG21 VAL 69 1HG2 VAL 69 12.599 -2.630 -0.538 541 HG22 VAL 69 2HG2 VAL 69 13.576 -3.112 -1.927 542 HG23 VAL 69 3HG2 VAL 69 11.895 -2.632 -2.156 543 H HIS 70 H HIS 70 12.170 1.245 -3.611 544 HA HIS 70 HA HIS 70 13.889 3.357 -2.919 545 HB2 HIS 70 1HB HIS 70 11.875 3.007 -5.117 546 HB3 HIS 70 2HB HIS 70 12.708 4.542 -4.905 547 HD1 HIS 70 HD1 HIS 70 15.241 4.614 -5.451 548 HD2 HIS 70 HD2 HIS 70 13.446 0.927 -6.136 549 HE1 HIS 70 HE1 HIS 70 16.895 3.294 -6.806 550 HE2 HIS 70 HE2 HIS 70 15.727 1.127 -7.333 551 H GLN 71 H GLN 71 10.467 2.954 -2.494 552 HA GLN 71 HA GLN 71 10.039 5.752 -1.833 553 HB2 GLN 71 1HB GLN 71 8.395 4.271 -3.096 554 HB3 GLN 71 2HB GLN 71 8.076 3.487 -1.552 555 HG2 GLN 71 1HG GLN 71 6.404 5.188 -2.071 556 HG3 GLN 71 2HG GLN 71 7.301 5.554 -0.601 557 HE21 GLN 71 1HE2 GLN 71 8.582 7.340 -0.514 558 HE22 GLN 71 2HE2 GLN 71 8.607 8.548 -1.746 559 H LEU 72 H LEU 72 9.639 2.636 -0.170 560 HA LEU 72 HA LEU 72 8.971 3.806 2.303 561 HB2 LEU 72 1HB LEU 72 9.868 1.020 1.605 562 HB3 LEU 72 2HB LEU 72 9.348 1.491 3.209 563 HG LEU 72 HG LEU 72 7.618 1.705 0.744 564 HD11 LEU 72 1HD1 LEU 72 8.152 -0.633 1.239 565 HD12 LEU 72 2HD1 LEU 72 6.462 -0.274 1.600 566 HD13 LEU 72 3HD1 LEU 72 7.639 -0.399 2.910 567 HD21 LEU 72 1HD2 LEU 72 6.899 3.247 2.427 568 HD22 LEU 72 2HD2 LEU 72 7.050 2.020 3.687 569 HD23 LEU 72 3HD2 LEU 72 5.800 1.865 2.451 570 H ALA 73 H ALA 73 12.031 2.376 1.153 571 HA ALA 73 HA ALA 73 13.296 2.537 3.692 572 HB1 ALA 73 1HB ALA 73 14.554 2.137 0.998 573 HB2 ALA 73 2HB ALA 73 13.848 0.867 1.993 574 HB3 ALA 73 3HB ALA 73 15.263 1.750 2.565 575 H HIS 74 H HIS 74 12.352 5.167 2.792 576 HA HIS 74 HA HIS 74 14.686 6.707 2.148 577 HB2 HIS 74 1HB HIS 74 11.871 7.351 2.906 578 HB3 HIS 74 2HB HIS 74 13.094 8.599 3.125 579 HD1 HIS 74 HD1 HIS 74 10.919 7.114 0.615 580 HD2 HIS 74 HD2 HIS 74 14.478 9.263 0.624 581 HE1 HIS 74 HE1 HIS 74 11.176 8.013 -1.719 582 HE2 HIS 74 HE2 HIS 74 13.458 9.077 -1.743 583 H GLY 75 H GLY 75 16.328 6.653 3.537 584 HA2 GLY 75 1HA GLY 75 17.424 7.467 5.436 585 HA3 GLY 75 2HA GLY 75 15.866 7.677 6.222 586 H ARG 76 H ARG 76 16.416 4.640 4.707 587 HA ARG 76 HA ARG 76 17.345 3.414 7.173 588 HB2 ARG 76 1HB ARG 76 14.589 3.179 6.142 589 HB3 ARG 76 2HB ARG 76 15.343 1.675 6.663 590 HG2 ARG 76 1HG ARG 76 15.898 2.872 8.819 591 HG3 ARG 76 2HG ARG 76 14.807 4.148 8.280 592 HD2 ARG 76 1HD ARG 76 12.981 2.573 8.167 593 HD3 ARG 76 2HD ARG 76 14.057 1.249 8.598 594 HE ARG 76 HE ARG 76 13.722 3.490 10.455 595 HH11 ARG 76 1HH1 ARG 76 13.184 0.120 9.668 596 HH12 ARG 76 2HH1 ARG 76 12.828 -0.335 11.301 597 HH21 ARG 76 1HH2 ARG 76 13.227 2.895 12.609 598 HH22 ARG 76 2HH2 ARG 76 12.851 1.241 12.973 599 H ASP 77 H ASP 77 17.725 1.057 6.909 600 HA ASP 77 HA ASP 77 19.303 0.526 4.652 601 HB2 ASP 77 1HB ASP 77 18.227 -1.243 6.834 602 HB3 ASP 77 2HB ASP 77 19.221 -1.873 5.525 603 H ALA 78 H ALA 78 18.559 0.371 2.711 604 HA ALA 78 HA ALA 78 16.024 -0.353 1.855 605 HB1 ALA 78 1HB ALA 78 18.632 -0.677 0.383 606 HB2 ALA 78 2HB ALA 78 17.681 0.805 0.479 607 HB3 ALA 78 3HB ALA 78 17.026 -0.611 -0.344 608 H GLU 79 H GLU 79 18.814 -2.331 2.565 609 HA GLU 79 HA GLU 79 18.039 -4.737 1.366 610 HB2 GLU 79 1HB GLU 79 19.685 -4.271 3.853 611 HB3 GLU 79 2HB GLU 79 19.593 -5.792 2.976 612 HG2 GLU 79 1HG GLU 79 20.604 -4.795 1.044 613 HG3 GLU 79 2HG GLU 79 20.580 -3.206 1.806 614 H GLU 80 H GLU 80 17.522 -3.561 4.681 615 HA GLU 80 HA GLU 80 16.089 -5.857 5.532 616 HB2 GLU 80 1HB GLU 80 16.359 -3.078 6.649 617 HB3 GLU 80 2HB GLU 80 15.394 -4.324 7.430 618 HG2 GLU 80 1HG GLU 80 18.325 -4.555 6.812 619 HG3 GLU 80 2HG GLU 80 17.656 -4.107 8.374 620 H VAL 81 H VAL 81 15.113 -2.621 4.467 621 HA VAL 81 HA VAL 81 12.367 -2.867 4.732 622 HB VAL 81 HB VAL 81 13.974 -1.336 2.695 623 HG11 VAL 81 1HG1 VAL 81 11.755 -1.647 1.779 624 HG12 VAL 81 2HG1 VAL 81 11.908 0.011 2.364 625 HG13 VAL 81 3HG1 VAL 81 11.023 -1.185 3.314 626 HG21 VAL 81 1HG2 VAL 81 13.411 0.555 4.165 627 HG22 VAL 81 2HG2 VAL 81 14.372 -0.684 4.967 628 HG23 VAL 81 3HG2 VAL 81 12.639 -0.573 5.279 629 H ARG 82 H ARG 82 14.382 -3.672 1.890 630 HA ARG 82 HA ARG 82 12.365 -4.626 0.227 631 HB2 ARG 82 1HB ARG 82 14.808 -4.207 -0.328 632 HB3 ARG 82 2HB ARG 82 15.138 -5.793 0.354 633 HG2 ARG 82 1HG ARG 82 13.713 -6.842 -1.266 634 HG3 ARG 82 2HG ARG 82 13.246 -5.273 -1.908 635 HD2 ARG 82 1HD ARG 82 15.719 -4.903 -2.362 636 HD3 ARG 82 2HD ARG 82 15.913 -6.628 -2.063 637 HE ARG 82 HE ARG 82 14.442 -7.043 -3.948 638 HH11 ARG 82 1HH1 ARG 82 15.768 -3.806 -3.662 639 HH12 ARG 82 2HH1 ARG 82 15.498 -3.412 -5.327 640 HH21 ARG 82 1HH2 ARG 82 14.082 -6.521 -6.141 641 HH22 ARG 82 2HH2 ARG 82 14.522 -4.948 -6.744 642 H THR 83 H THR 83 14.243 -6.260 2.713 643 HA THR 83 HA THR 83 13.333 -8.871 2.253 644 HB THR 83 HB THR 83 14.438 -7.483 4.686 645 HG1 THR 83 HG1 THR 83 16.056 -7.830 3.299 646 HG21 THR 83 1HG2 THR 83 12.998 -9.263 5.511 647 HG22 THR 83 2HG2 THR 83 14.692 -9.704 5.726 648 HG23 THR 83 3HG2 THR 83 13.758 -10.413 4.411 649 H GLU 84 H GLU 84 12.267 -6.476 4.687 650 HA GLU 84 HA GLU 84 10.124 -7.923 5.710 651 HB2 GLU 84 1HB GLU 84 10.392 -4.923 5.493 652 HB3 GLU 84 2HB GLU 84 9.311 -5.790 6.576 653 HG2 GLU 84 1HG GLU 84 11.271 -6.819 7.650 654 HG3 GLU 84 2HG GLU 84 12.316 -5.842 6.624 655 H VAL 85 H VAL 85 10.196 -5.630 2.985 656 HA VAL 85 HA VAL 85 7.487 -5.648 2.345 657 HB VAL 85 HB VAL 85 9.945 -5.342 0.630 658 HG11 VAL 85 1HG1 VAL 85 8.474 -4.602 -1.196 659 HG12 VAL 85 2HG1 VAL 85 7.069 -5.093 -0.246 660 HG13 VAL 85 3HG1 VAL 85 8.230 -6.303 -0.796 661 HG21 VAL 85 1HG2 VAL 85 7.817 -3.419 1.556 662 HG22 VAL 85 2HG2 VAL 85 9.183 -3.014 0.513 663 HG23 VAL 85 3HG2 VAL 85 9.467 -3.540 2.174 664 H LEU 86 H LEU 86 10.082 -7.802 1.200 665 HA LEU 86 HA LEU 86 8.549 -9.358 -0.532 666 HB2 LEU 86 1HB LEU 86 11.064 -9.973 1.009 667 HB3 LEU 86 2HB LEU 86 10.362 -11.082 -0.167 668 HG LEU 86 HG LEU 86 11.135 -8.265 -0.873 669 HD11 LEU 86 1HD1 LEU 86 12.786 -10.770 -1.159 670 HD12 LEU 86 2HD1 LEU 86 13.095 -9.465 -0.013 671 HD13 LEU 86 3HD1 LEU 86 13.213 -9.163 -1.747 672 HD21 LEU 86 1HD2 LEU 86 9.586 -9.332 -2.393 673 HD22 LEU 86 2HD2 LEU 86 10.619 -10.756 -2.487 674 HD23 LEU 86 3HD2 LEU 86 11.176 -9.218 -3.146 675 H LYS 87 H LYS 87 8.946 -9.540 2.935 676 HA LYS 87 HA LYS 87 7.789 -12.138 3.249 677 HB2 LYS 87 1HB LYS 87 8.208 -9.844 5.166 678 HB3 LYS 87 2HB LYS 87 7.471 -11.365 5.650 679 HG2 LYS 87 1HG LYS 87 9.484 -12.568 5.076 680 HG3 LYS 87 2HG LYS 87 10.232 -11.077 4.477 681 HD2 LYS 87 1HD LYS 87 10.175 -10.121 6.696 682 HD3 LYS 87 2HD LYS 87 9.306 -11.525 7.313 683 HE2 LYS 87 1HE LYS 87 12.086 -11.575 6.146 684 HE3 LYS 87 2HE LYS 87 11.707 -11.568 7.867 685 HZ1 LYS 87 1HZ LYS 87 12.155 -13.802 7.075 686 HZ2 LYS 87 2HZ LYS 87 10.918 -13.679 5.933 687 HZ3 LYS 87 3HZ LYS 87 10.547 -13.671 7.582 688 H CYS 88 H CYS 88 6.552 -9.083 2.537 689 HA CYS 88 HA CYS 88 3.871 -9.802 3.459 690 HB2 CYS 88 1HB CYS 88 5.189 -7.190 2.794 691 HB3 CYS 88 2HB CYS 88 3.420 -7.321 2.852 692 H VAL 89 H VAL 89 5.839 -9.586 0.695 693 HA VAL 89 HA VAL 89 3.770 -9.270 -1.250 694 HB VAL 89 HB VAL 89 6.549 -10.422 -1.542 695 HG11 VAL 89 1HG1 VAL 89 4.520 -9.606 -3.614 696 HG12 VAL 89 2HG1 VAL 89 5.122 -11.235 -3.309 697 HG13 VAL 89 3HG1 VAL 89 6.204 -10.003 -3.960 698 HG21 VAL 89 1HG2 VAL 89 7.082 -8.250 -2.568 699 HG22 VAL 89 2HG2 VAL 89 6.607 -8.094 -0.878 700 HG23 VAL 89 3HG2 VAL 89 5.464 -7.678 -2.159 701 H ASP 90 H ASP 90 2.450 -10.746 -2.019 702 HA ASP 90 HA ASP 90 2.992 -13.579 -1.512 703 HB2 ASP 90 1HB ASP 90 1.352 -12.516 0.146 704 HB3 ASP 90 2HB ASP 90 0.252 -12.359 -1.227 705 H LYS 91 H LYS 91 1.665 -15.001 -2.891 706 HA LYS 91 HA LYS 91 1.557 -14.063 -5.614 707 HB2 LYS 91 1HB LYS 91 0.521 -16.699 -4.589 708 HB3 LYS 91 2HB LYS 91 1.135 -16.312 -6.191 709 HG2 LYS 91 1HG LYS 91 3.368 -16.125 -5.343 710 HG3 LYS 91 2HG LYS 91 2.793 -16.372 -3.696 711 HD2 LYS 91 1HD LYS 91 2.009 -18.610 -4.307 712 HD3 LYS 91 2HD LYS 91 2.597 -18.363 -5.950 713 HE2 LYS 91 1HE LYS 91 4.340 -18.265 -3.498 714 HE3 LYS 91 2HE LYS 91 4.120 -19.700 -4.495 715 HZ1 LYS 91 1HZ LYS 91 5.222 -17.110 -5.439 716 HZ2 LYS 91 2HZ LYS 91 5.045 -18.509 -6.372 717 HZ3 LYS 91 3HZ LYS 91 6.131 -18.489 -5.075 718 H ASN 92 H ASN 92 -0.372 -14.237 -6.948 719 HA ASN 92 HA ASN 92 -2.655 -13.137 -5.546 720 HB2 ASN 92 1HB ASN 92 -1.857 -12.255 -7.761 721 HB3 ASN 92 2HB ASN 92 -2.413 -13.755 -8.488 722 HD21 ASN 92 1HD2 ASN 92 -3.794 -12.437 -9.790 723 HD22 ASN 92 2HD2 ASN 92 -5.300 -11.857 -9.162 724 H THR 93 H THR 93 -2.520 -15.432 -4.470 725 HA THR 93 HA THR 93 -4.033 -17.480 -5.804 726 HB THR 93 HB THR 93 -4.120 -18.489 -3.492 727 HG1 THR 93 HG1 THR 93 -2.216 -17.125 -2.308 728 HG21 THR 93 1HG2 THR 93 -1.706 -18.991 -3.420 729 HG22 THR 93 2HG2 THR 93 -1.433 -17.709 -4.599 730 HG23 THR 93 3HG2 THR 93 -2.387 -19.123 -5.040 731 H ASP 94 H ASP 94 -4.732 -14.605 -4.208 732 HA ASP 94 HA ASP 94 -7.340 -15.287 -3.232 733 HB2 ASP 94 1HB ASP 94 -5.899 -13.459 -2.287 734 HB3 ASP 94 2HB ASP 94 -6.178 -12.542 -3.771 735 H ASN 95 H ASN 95 -5.940 -14.323 -6.178 736 HA ASN 95 HA ASN 95 -6.687 -14.003 -8.271 737 HB2 ASN 95 1HB ASN 95 -9.139 -15.367 -7.173 738 HB3 ASN 95 2HB ASN 95 -8.902 -14.992 -8.870 739 HD21 ASN 95 1HD2 ASN 95 -9.243 -17.543 -7.551 740 HD22 ASN 95 2HD2 ASN 95 -7.843 -18.489 -7.955 741 H ASN 96 H ASN 96 -7.140 -11.941 -6.213 742 HA ASN 96 HA ASN 96 -8.947 -10.299 -7.792 743 HB2 ASN 96 1HB ASN 96 -10.463 -11.122 -6.131 744 HB3 ASN 96 2HB ASN 96 -9.303 -10.834 -4.837 745 HD21 ASN 96 1HD2 ASN 96 -11.639 -9.434 -6.969 746 HD22 ASN 96 2HD2 ASN 96 -11.716 -7.889 -6.195 747 H ALA 97 H ALA 97 -8.018 -8.405 -8.150 748 HA ALA 97 HA ALA 97 -5.435 -7.845 -7.187 749 HB1 ALA 97 1HB ALA 97 -7.339 -6.018 -8.643 750 HB2 ALA 97 2HB ALA 97 -6.220 -7.155 -9.394 751 HB3 ALA 97 3HB ALA 97 -5.599 -5.786 -8.473 752 H CYS 98 H CYS 98 -8.608 -6.650 -6.208 753 HA CYS 98 HA CYS 98 -7.687 -4.433 -4.708 754 HB2 CYS 98 1HB CYS 98 -10.204 -6.053 -4.271 755 HB3 CYS 98 2HB CYS 98 -9.880 -4.446 -3.632 756 H HIS 99 H HIS 99 -8.428 -7.785 -3.746 757 HA HIS 99 HA HIS 99 -7.740 -7.217 -1.004 758 HB2 HIS 99 1HB HIS 99 -9.460 -8.938 -1.786 759 HB3 HIS 99 2HB HIS 99 -8.094 -9.949 -2.237 760 HD1 HIS 99 HD1 HIS 99 -8.517 -11.778 -0.526 761 HD2 HIS 99 HD2 HIS 99 -8.158 -7.991 1.174 762 HE1 HIS 99 HE1 HIS 99 -8.394 -12.150 1.962 763 HE2 HIS 99 HE2 HIS 99 -8.252 -9.846 2.972 764 H TRP 100 H TRP 100 -6.150 -8.382 -3.843 765 HA TRP 100 HA TRP 100 -3.944 -9.649 -2.636 766 HB2 TRP 100 1HB TRP 100 -4.543 -9.859 -5.043 767 HB3 TRP 100 2HB TRP 100 -3.999 -8.201 -5.297 768 HD1 TRP 100 HD1 TRP 100 -1.747 -9.987 -2.943 769 HE1 TRP 100 HE1 TRP 100 0.389 -10.737 -4.151 770 HE3 TRP 100 HE3 TRP 100 -3.208 -9.174 -7.773 771 HZ2 TRP 100 HZ2 TRP 100 1.339 -10.964 -6.792 772 HZ3 TRP 100 HZ3 TRP 100 -1.626 -9.689 -9.578 773 HH2 TRP 100 HH2 TRP 100 0.598 -10.567 -9.106 774 H ALA 101 H ALA 101 -4.209 -6.369 -4.019 775 HA ALA 101 HA ALA 101 -1.713 -5.448 -3.123 776 HB1 ALA 101 1HB ALA 101 -3.002 -4.319 -4.858 777 HB2 ALA 101 2HB ALA 101 -2.593 -3.207 -3.548 778 HB3 ALA 101 3HB ALA 101 -4.222 -3.871 -3.668 779 H PHE 102 H PHE 102 -4.885 -5.497 -1.644 780 HA PHE 102 HA PHE 102 -4.264 -3.827 0.525 781 HB2 PHE 102 1HB PHE 102 -6.555 -4.303 -0.218 782 HB3 PHE 102 2HB PHE 102 -6.398 -5.954 0.376 783 HD1 PHE 102 HD1 PHE 102 -6.877 -6.447 2.626 784 HD2 PHE 102 HD2 PHE 102 -6.321 -2.400 1.425 785 HE1 PHE 102 HE1 PHE 102 -7.635 -5.689 4.840 786 HE2 PHE 102 HE2 PHE 102 -7.079 -1.636 3.637 787 HZ PHE 102 HZ PHE 102 -7.735 -3.279 5.349 788 H ARG 103 H ARG 103 -3.878 -7.279 -0.028 789 HA ARG 103 HA ARG 103 -3.394 -8.001 2.675 790 HB2 ARG 103 1HB ARG 103 -2.701 -9.335 0.076 791 HB3 ARG 103 2HB ARG 103 -2.165 -9.989 1.613 792 HG2 ARG 103 1HG ARG 103 -4.529 -10.075 2.338 793 HG3 ARG 103 2HG ARG 103 -5.004 -9.551 0.727 794 HD2 ARG 103 1HD ARG 103 -3.496 -12.063 1.403 795 HD3 ARG 103 2HD ARG 103 -5.192 -11.966 0.946 796 HE ARG 103 HE ARG 103 -4.208 -10.963 -1.215 797 HH11 ARG 103 1HH1 ARG 103 -2.753 -13.481 0.716 798 HH12 ARG 103 2HH1 ARG 103 -1.894 -14.199 -0.618 799 HH21 ARG 103 1HH2 ARG 103 -3.125 -11.941 -3.000 800 HH22 ARG 103 2HH2 ARG 103 -2.125 -13.338 -2.732 801 H GLY 104 H GLY 104 -1.312 -7.019 0.013 802 HA2 GLY 104 1HA GLY 104 1.163 -7.389 1.340 803 HA3 GLY 104 2HA GLY 104 0.876 -6.321 -0.039 804 H PHE 105 H PHE 105 -0.915 -4.543 0.949 805 HA PHE 105 HA PHE 105 0.717 -2.757 2.362 806 HB2 PHE 105 1HB PHE 105 -0.941 -1.866 0.910 807 HB3 PHE 105 2HB PHE 105 -2.221 -2.756 1.716 808 HD1 PHE 105 HD1 PHE 105 -3.695 -1.238 2.658 809 HD2 PHE 105 HD2 PHE 105 0.494 -0.537 2.977 810 HE1 PHE 105 HE1 PHE 105 -4.134 0.740 4.047 811 HE2 PHE 105 HE2 PHE 105 0.055 1.445 4.368 812 HZ PHE 105 HZ PHE 105 -2.260 2.084 4.904 813 H LYS 106 H LYS 106 -2.036 -4.732 3.353 814 HA LYS 106 HA LYS 106 -2.307 -3.807 5.968 815 HB2 LYS 106 1HB LYS 106 -4.120 -5.029 5.286 816 HB3 LYS 106 2HB LYS 106 -3.152 -6.267 4.499 817 HG2 LYS 106 1HG LYS 106 -2.506 -7.001 6.851 818 HG3 LYS 106 2HG LYS 106 -3.814 -5.951 7.407 819 HD2 LYS 106 1HD LYS 106 -5.333 -7.196 5.826 820 HD3 LYS 106 2HD LYS 106 -4.015 -8.341 5.582 821 HE2 LYS 106 1HE LYS 106 -5.272 -9.362 7.236 822 HE3 LYS 106 2HE LYS 106 -4.025 -8.530 8.164 823 HZ1 LYS 106 1HZ LYS 106 -6.080 -8.103 9.214 824 HZ2 LYS 106 2HZ LYS 106 -6.840 -7.697 7.759 825 HZ3 LYS 106 3HZ LYS 106 -5.662 -6.672 8.417 826 H CYS 107 H CYS 107 -0.456 -6.561 4.703 827 HA CYS 107 HA CYS 107 0.493 -7.563 7.115 828 HB2 CYS 107 1HB CYS 107 0.743 -8.917 5.205 829 HB3 CYS 107 2HB CYS 107 1.557 -7.653 4.295 830 H PHE 108 H PHE 108 1.791 -5.055 4.996 831 HA PHE 108 HA PHE 108 4.256 -4.839 6.415 832 HB2 PHE 108 1HB PHE 108 3.857 -4.302 3.967 833 HB3 PHE 108 2HB PHE 108 3.116 -2.800 4.521 834 HD1 PHE 108 HD1 PHE 108 6.234 -4.701 4.235 835 HD2 PHE 108 HD2 PHE 108 4.468 -1.011 5.414 836 HE1 PHE 108 HE1 PHE 108 8.461 -3.670 4.337 837 HE2 PHE 108 HE2 PHE 108 6.697 0.025 5.512 838 HZ PHE 108 HZ PHE 108 8.695 -1.305 4.970 839 H GLN 109 H GLN 109 1.349 -2.765 6.195 840 HA GLN 109 HA GLN 109 2.296 -0.823 8.014 841 HB2 GLN 109 1HB GLN 109 0.009 0.006 8.075 842 HB3 GLN 109 2HB GLN 109 0.520 -0.330 6.430 843 HG2 GLN 109 1HG GLN 109 -1.356 -1.465 6.173 844 HG3 GLN 109 2HG GLN 109 -0.711 -2.674 7.288 845 HE21 GLN 109 1HE2 GLN 109 -1.514 -2.791 9.347 846 HE22 GLN 109 2HE2 GLN 109 -2.890 -1.893 9.879 847 H LYS 110 H LYS 110 1.050 -3.958 8.531 848 HA LYS 110 HA LYS 110 -0.007 -3.586 11.138 849 HB2 LYS 110 1HB LYS 110 -0.491 -5.523 9.648 850 HB3 LYS 110 2HB LYS 110 1.154 -6.077 9.872 851 HG2 LYS 110 1HG LYS 110 -0.609 -5.688 12.243 852 HG3 LYS 110 2HG LYS 110 -0.776 -7.128 11.245 853 HD2 LYS 110 1HD LYS 110 1.564 -7.681 11.617 854 HD3 LYS 110 2HD LYS 110 1.778 -6.207 12.562 855 HE2 LYS 110 1HE LYS 110 -0.071 -8.483 13.260 856 HE3 LYS 110 2HE LYS 110 1.510 -8.195 13.980 857 HZ1 LYS 110 1HZ LYS 110 0.675 -6.044 14.777 858 HZ2 LYS 110 2HZ LYS 110 -0.205 -7.342 15.406 859 HZ3 LYS 110 3HZ LYS 110 -0.855 -6.410 14.156 860 H ASN 111 H ASN 111 3.206 -4.011 9.852 861 HA ASN 111 HA ASN 111 4.255 -4.202 12.602 862 HB2 ASN 111 1HB ASN 111 5.507 -5.210 10.043 863 HB3 ASN 111 2HB ASN 111 6.269 -5.249 11.632 864 HD21 ASN 111 1HD2 ASN 111 3.892 -6.678 9.558 865 HD22 ASN 111 2HD2 ASN 111 3.535 -8.028 10.574 866 H ASN 112 H ASN 112 4.353 -2.456 9.609 867 HA ASN 112 HA ASN 112 6.384 -0.649 10.727 868 HB2 ASN 112 1HB ASN 112 6.407 -1.911 7.981 869 HB3 ASN 112 2HB ASN 112 7.380 -0.502 8.418 870 HD21 ASN 112 1HD2 ASN 112 7.922 -3.402 7.677 871 HD22 ASN 112 2HD2 ASN 112 9.074 -3.917 8.867 872 H LEU 113 H LEU 113 4.171 0.447 11.084 873 HA LEU 113 HA LEU 113 3.083 1.618 8.663 874 HB2 LEU 113 1HB LEU 113 1.466 0.918 10.259 875 HB3 LEU 113 2HB LEU 113 2.242 1.823 11.542 876 HG LEU 113 HG LEU 113 1.653 3.918 10.327 877 HD11 LEU 113 1HD1 LEU 113 0.008 3.825 8.546 878 HD12 LEU 113 2HD1 LEU 113 0.044 2.063 8.589 879 HD13 LEU 113 3HD1 LEU 113 1.476 2.962 8.090 880 HD21 LEU 113 1HD2 LEU 113 0.280 3.082 12.164 881 HD22 LEU 113 2HD2 LEU 113 -0.656 2.115 11.025 882 HD23 LEU 113 3HD2 LEU 113 -0.707 3.877 10.938 883 H SER 114 H SER 114 5.037 2.575 11.403 884 HA SER 114 HA SER 114 4.806 5.372 11.067 885 HB2 SER 114 1HB SER 114 5.685 4.256 13.124 886 HB3 SER 114 2HB SER 114 7.148 3.845 12.231 887 HG SER 114 HG SER 114 7.722 5.712 13.098 888 H LEU 115 H LEU 115 6.883 2.939 9.628 889 HA LEU 115 HA LEU 115 8.678 4.665 8.319 890 HB2 LEU 115 1HB LEU 115 9.042 2.247 8.568 891 HB3 LEU 115 2HB LEU 115 7.708 1.939 7.476 892 HG LEU 115 HG LEU 115 8.964 3.111 5.678 893 HD11 LEU 115 1HD1 LEU 115 10.369 4.549 6.949 894 HD12 LEU 115 2HD1 LEU 115 11.413 3.425 6.078 895 HD13 LEU 115 3HD1 LEU 115 11.092 3.186 7.795 896 HD21 LEU 115 1HD2 LEU 115 9.017 0.686 5.837 897 HD22 LEU 115 2HD2 LEU 115 10.366 0.772 6.968 898 HD23 LEU 115 3HD2 LEU 115 10.579 1.303 5.300 899 H ILE 116 H ILE 116 5.517 3.389 7.464 900 HA ILE 116 HA ILE 116 5.473 4.133 4.767 901 HB ILE 116 HB ILE 116 3.174 3.813 6.713 902 HG12 ILE 116 1HG1 ILE 116 4.383 1.913 4.685 903 HG13 ILE 116 2HG1 ILE 116 4.516 1.783 6.445 904 HG21 ILE 116 1HG2 ILE 116 2.476 5.146 4.801 905 HG22 ILE 116 2HG2 ILE 116 1.763 3.532 4.724 906 HG23 ILE 116 3HG2 ILE 116 3.141 3.936 3.703 907 HD11 ILE 116 1HD1 ILE 116 2.873 0.231 5.632 908 HD12 ILE 116 2HD1 ILE 116 2.014 1.521 4.795 909 HD13 ILE 116 3HD1 ILE 116 2.065 1.498 6.557 910 H LYS 117 H LYS 117 4.434 5.850 7.679 911 HA LYS 117 HA LYS 117 3.386 8.137 6.442 912 HB2 LYS 117 1HB LYS 117 4.715 7.859 9.138 913 HB3 LYS 117 2HB LYS 117 3.755 9.241 8.630 914 HG2 LYS 117 1HG LYS 117 1.784 7.844 8.446 915 HG3 LYS 117 2HG LYS 117 2.728 6.414 8.861 916 HD2 LYS 117 1HD LYS 117 3.200 7.367 11.071 917 HD3 LYS 117 2HD LYS 117 2.289 8.814 10.648 918 HE2 LYS 117 1HE LYS 117 0.251 7.550 10.492 919 HE3 LYS 117 2HE LYS 117 1.120 6.036 10.714 920 HZ1 LYS 117 1HZ LYS 117 0.061 6.717 12.754 921 HZ2 LYS 117 2HZ LYS 117 0.860 8.203 12.721 922 HZ3 LYS 117 3HZ LYS 117 1.741 6.778 12.938 923 H ALA 118 H ALA 118 6.640 7.314 7.503 924 HA ALA 118 HA ALA 118 7.782 9.871 6.915 925 HB1 ALA 118 1HB ALA 118 8.698 8.395 8.615 926 HB2 ALA 118 2HB ALA 118 9.901 8.762 7.379 927 HB3 ALA 118 3HB ALA 118 9.080 7.200 7.378 928 H SER 119 H SER 119 7.307 6.908 5.149 929 HA SER 119 HA SER 119 9.233 7.195 3.152 930 HB2 SER 119 1HB SER 119 6.499 5.914 2.949 931 HB3 SER 119 2HB SER 119 7.830 5.670 1.819 932 HG SER 119 HG SER 119 8.096 5.153 4.589 933 H ILE 120 H ILE 120 5.970 8.510 3.368 934 HA ILE 120 HA ILE 120 6.199 9.695 0.716 935 HB ILE 120 HB ILE 120 3.872 10.505 1.153 936 HG12 ILE 120 1HG1 ILE 120 3.991 8.725 3.588 937 HG13 ILE 120 2HG1 ILE 120 4.143 10.477 3.663 938 HG21 ILE 120 1HG2 ILE 120 2.842 8.260 0.997 939 HG22 ILE 120 2HG2 ILE 120 4.406 7.558 1.413 940 HG23 ILE 120 3HG2 ILE 120 4.222 8.476 -0.081 941 HD11 ILE 120 1HD1 ILE 120 1.881 9.713 4.178 942 HD12 ILE 120 2HD1 ILE 120 1.770 8.992 2.571 943 HD13 ILE 120 3HD1 ILE 120 1.927 10.738 2.745 944 H LYS 121 H LYS 121 7.157 10.513 3.766 945 HA LYS 121 HA LYS 121 6.436 13.326 3.603 946 HB2 LYS 121 1HB LYS 121 6.339 11.997 5.746 947 HB3 LYS 121 2HB LYS 121 8.095 11.939 5.708 948 HG2 LYS 121 1HG LYS 121 8.156 14.402 5.773 949 HG3 LYS 121 2HG LYS 121 6.395 14.423 5.870 950 HD2 LYS 121 1HD LYS 121 8.267 13.169 7.875 951 HD3 LYS 121 2HD LYS 121 7.406 14.693 8.077 952 HE2 LYS 121 1HE LYS 121 5.273 13.513 7.960 953 HE3 LYS 121 2HE LYS 121 6.120 11.986 7.721 954 HZ1 LYS 121 1HZ LYS 121 7.108 12.224 9.905 955 HZ2 LYS 121 2HZ LYS 121 5.421 12.283 10.020 956 HZ3 LYS 121 3HZ LYS 121 6.325 13.706 10.133 957 H LYS 122 H LYS 122 7.714 14.747 2.638 958 HA LYS 122 HA LYS 122 10.596 14.152 2.443 959 HB2 LYS 122 1HB LYS 122 8.826 14.661 0.358 960 HB3 LYS 122 2HB LYS 122 9.626 16.192 0.625 961 HG2 LYS 122 1HG LYS 122 10.784 14.892 -1.064 962 HG3 LYS 122 2HG LYS 122 11.797 15.182 0.348 963 HD2 LYS 122 1HD LYS 122 11.235 12.906 1.161 964 HD3 LYS 122 2HD LYS 122 10.340 12.630 -0.336 965 HE2 LYS 122 1HE LYS 122 12.587 11.679 -0.456 966 HE3 LYS 122 2HE LYS 122 12.378 12.978 -1.626 967 HZ1 LYS 122 1HZ LYS 122 13.548 14.471 -0.137 968 HZ2 LYS 122 2HZ LYS 122 14.512 13.130 -0.493 969 HZ3 LYS 122 3HZ LYS 122 13.733 13.236 1.004 970 H ASP 123 H ASP 123 10.824 15.036 4.511 971 HA ASP 123 HA ASP 123 10.242 17.831 4.949 972 HB2 ASP 123 1HB ASP 123 10.093 16.161 6.784 973 HB3 ASP 123 2HB ASP 123 11.832 15.912 6.668 974 H21 ACD 201 H21 ACD 1 -4.789 5.214 1.660 975 H22 ACD 201 H22 ACD 1 -3.591 5.483 2.933 976 H31 ACD 201 H31 ACD 1 -2.182 6.760 1.342 977 H32 ACD 201 H32 ACD 1 -3.376 6.515 0.069 978 H41 ACD 201 H41 ACD 1 -3.033 4.047 0.229 979 H42 ACD 201 H42 ACD 1 -1.527 4.894 -0.158 980 H5 ACD 201 H5 ACD 1 -2.193 3.497 2.488 981 H6 ACD 201 H6 ACD 1 0.115 3.952 2.935 982 H71 ACD 201 H71 ACD 1 0.643 4.848 0.249 983 H72 ACD 201 H72 ACD 1 -0.238 6.202 0.955 984 H8 ACD 201 H8 ACD 1 1.594 6.587 2.614 985 H9 ACD 201 H9 ACD 1 3.698 5.598 2.086 986 H101 ACD 201 H101 ACD 1 2.599 4.614 -0.440 987 H102 ACD 201 H102 ACD 1 2.215 3.386 0.765 988 H11 ACD 201 H11 ACD 1 5.139 4.352 0.569 989 H12 ACD 201 H12 ACD 1 5.527 2.032 0.235 990 H131 ACD 201 H131 ACD 1 2.553 2.002 -0.460 991 H132 ACD 201 H132 ACD 1 3.680 0.645 -0.582 992 H14 ACD 201 H14 ACD 1 2.548 1.657 2.130 993 H15 ACD 201 H15 ACD 1 2.494 -0.685 2.555 994 H161 ACD 201 H161 ACD 1 2.696 -1.320 -0.268 995 H162 ACD 201 H162 ACD 1 4.349 -0.927 0.215 996 H171 ACD 201 H171 ACD 1 4.370 -2.657 1.892 997 H172 ACD 201 H172 ACD 1 2.633 -2.929 1.726 998 H181 ACD 201 H181 ACD 1 4.689 -3.412 -0.476 999 H182 ACD 201 H182 ACD 1 2.959 -3.745 -0.585 1000 H191 ACD 201 H191 ACD 1 4.936 -5.056 1.328 1001 H192 ACD 201 H192 ACD 1 3.193 -5.325 1.373 1002 H201 ACD 201 H201 ACD 1 3.301 -6.161 -0.967 1003 H202 ACD 201 H202 ACD 1 4.295 -7.095 0.099 1004 H203 ACD 201 H203 ACD 1 5.017 -5.935 -0.964 Start of MODEL 28 1 H1 MET 1 1H MET 1 15.304 9.633 -15.330 2 H2 MET 1 2H MET 1 13.893 10.165 -14.559 3 H3 MET 1 3H MET 1 15.202 9.610 -13.643 4 HA MET 1 HA MET 1 16.553 11.443 -14.336 5 HB2 MET 1 1HB MET 1 14.076 12.323 -15.834 6 HB3 MET 1 2HB MET 1 15.528 13.290 -15.628 7 HG2 MET 1 1HG MET 1 16.805 11.590 -16.861 8 HG3 MET 1 2HG MET 1 15.315 10.681 -17.113 9 HE1 MET 1 1HE MET 1 15.968 12.069 -20.697 10 HE2 MET 1 2HE MET 1 15.623 10.638 -19.725 11 HE3 MET 1 3HE MET 1 17.162 11.476 -19.543 12 H GLU 2 H GLU 2 16.661 12.047 -12.270 13 HA GLU 2 HA GLU 2 16.188 13.027 -10.282 14 HB2 GLU 2 1HB GLU 2 13.980 14.439 -11.776 15 HB3 GLU 2 2HB GLU 2 14.600 14.880 -10.195 16 HG2 GLU 2 1HG GLU 2 16.768 15.388 -11.190 17 HG3 GLU 2 2HG GLU 2 16.135 14.949 -12.776 18 H PHE 3 H PHE 3 15.608 11.041 -9.416 19 HA PHE 3 HA PHE 3 12.987 9.979 -9.583 20 HB2 PHE 3 1HB PHE 3 14.913 8.566 -9.078 21 HB3 PHE 3 2HB PHE 3 15.162 9.422 -7.553 22 HD1 PHE 3 HD1 PHE 3 13.865 8.888 -5.626 23 HD2 PHE 3 HD2 PHE 3 12.965 7.120 -9.390 24 HE1 PHE 3 HE1 PHE 3 12.378 7.274 -4.509 25 HE2 PHE 3 HE2 PHE 3 11.472 5.509 -8.280 26 HZ PHE 3 HZ PHE 3 11.176 5.586 -5.837 27 H THR 4 H THR 4 11.232 10.670 -8.640 28 HA THR 4 HA THR 4 11.483 12.257 -6.193 29 HB THR 4 HB THR 4 9.682 12.468 -8.525 30 HG1 THR 4 HG1 THR 4 10.974 14.160 -8.295 31 HG21 THR 4 1HG2 THR 4 8.677 12.990 -5.723 32 HG22 THR 4 2HG2 THR 4 7.992 11.872 -6.903 33 HG23 THR 4 3HG2 THR 4 7.916 13.609 -7.189 34 H VAL 5 H VAL 5 10.564 11.578 -4.367 35 HA VAL 5 HA VAL 5 9.272 8.950 -4.379 36 HB VAL 5 HB VAL 5 9.901 8.688 -2.200 37 HG11 VAL 5 1HG1 VAL 5 11.926 9.112 -3.445 38 HG12 VAL 5 2HG1 VAL 5 12.085 9.612 -1.762 39 HG13 VAL 5 3HG1 VAL 5 11.842 10.821 -3.022 40 HG21 VAL 5 1HG2 VAL 5 8.538 10.510 -1.297 41 HG22 VAL 5 2HG2 VAL 5 9.790 11.669 -1.745 42 HG23 VAL 5 3HG2 VAL 5 10.119 10.444 -0.520 43 H SER 6 H SER 6 7.240 8.579 -3.603 44 HA SER 6 HA SER 6 5.329 10.614 -4.046 45 HB2 SER 6 1HB SER 6 4.847 8.041 -2.535 46 HB3 SER 6 2HB SER 6 3.688 8.972 -3.483 47 HG SER 6 HG SER 6 5.784 7.303 -4.349 48 H THR 7 H THR 7 4.654 12.161 -2.710 49 HA THR 7 HA THR 7 5.380 11.937 0.132 50 HB THR 7 HB THR 7 5.363 14.419 0.132 51 HG1 THR 7 HG1 THR 7 5.391 14.378 -2.686 52 HG21 THR 7 1HG2 THR 7 7.460 13.224 -0.189 53 HG22 THR 7 2HG2 THR 7 7.441 14.690 -1.170 54 HG23 THR 7 3HG2 THR 7 7.152 13.122 -1.923 55 H THR 8 H THR 8 3.900 13.594 1.439 56 HA THR 8 HA THR 8 1.399 12.381 1.583 57 HB THR 8 HB THR 8 2.137 15.105 2.652 58 HG1 THR 8 HG1 THR 8 3.311 12.869 3.201 59 HG21 THR 8 1HG2 THR 8 0.415 14.623 4.332 60 HG22 THR 8 2HG2 THR 8 0.048 13.104 3.512 61 HG23 THR 8 3HG2 THR 8 -0.260 14.642 2.701 62 H GLU 9 H GLU 9 2.138 15.691 0.456 63 HA GLU 9 HA GLU 9 -0.490 16.322 -0.228 64 HB2 GLU 9 1HB GLU 9 2.103 17.479 -1.213 65 HB3 GLU 9 2HB GLU 9 0.527 18.148 -1.605 66 HG2 GLU 9 1HG GLU 9 0.100 18.420 0.822 67 HG3 GLU 9 2HG GLU 9 1.755 17.899 1.126 68 H ASP 10 H ASP 10 2.091 14.895 -2.167 69 HA ASP 10 HA ASP 10 0.592 15.015 -4.589 70 HB2 ASP 10 1HB ASP 10 2.620 14.667 -5.418 71 HB3 ASP 10 2HB ASP 10 3.248 14.310 -3.817 72 H LEU 11 H LEU 11 1.139 12.584 -2.110 73 HA LEU 11 HA LEU 11 -0.321 10.476 -3.194 74 HB2 LEU 11 1HB LEU 11 0.994 10.137 -1.224 75 HB3 LEU 11 2HB LEU 11 0.043 11.313 -0.314 76 HG LEU 11 HG LEU 11 -1.915 9.760 -0.563 77 HD11 LEU 11 1HD1 LEU 11 -1.112 8.531 -2.507 78 HD12 LEU 11 2HD1 LEU 11 -1.484 7.451 -1.160 79 HD13 LEU 11 3HD1 LEU 11 0.194 7.852 -1.535 80 HD21 LEU 11 1HD2 LEU 11 -1.198 8.265 1.196 81 HD22 LEU 11 2HD2 LEU 11 -0.537 9.877 1.477 82 HD23 LEU 11 3HD2 LEU 11 0.495 8.602 0.829 83 H GLN 12 H GLN 12 -1.385 13.352 -1.453 84 HA GLN 12 HA GLN 12 -4.016 12.673 -0.900 85 HB2 GLN 12 1HB GLN 12 -2.809 15.344 -1.579 86 HB3 GLN 12 2HB GLN 12 -4.458 15.147 -1.005 87 HG2 GLN 12 1HG GLN 12 -1.973 14.344 0.487 88 HG3 GLN 12 2HG GLN 12 -2.928 15.793 0.795 89 HE21 GLN 12 1HE2 GLN 12 -4.921 15.597 1.801 90 HE22 GLN 12 2HE2 GLN 12 -5.388 14.158 2.638 91 H ARG 13 H ARG 13 -2.564 13.715 -3.881 92 HA ARG 13 HA ARG 13 -4.959 14.372 -5.242 93 HB2 ARG 13 1HB ARG 13 -2.743 15.181 -5.938 94 HB3 ARG 13 2HB ARG 13 -2.283 13.539 -6.364 95 HG2 ARG 13 1HG ARG 13 -3.922 13.469 -8.115 96 HG3 ARG 13 2HG ARG 13 -4.562 15.048 -7.625 97 HD2 ARG 13 1HD ARG 13 -2.392 16.064 -8.163 98 HD3 ARG 13 2HD ARG 13 -1.799 14.491 -8.691 99 HE ARG 13 HE ARG 13 -3.940 14.751 -10.234 100 HH11 ARG 13 1HH1 ARG 13 -1.407 17.059 -9.490 101 HH12 ARG 13 2HH1 ARG 13 -1.562 17.903 -10.997 102 HH21 ARG 13 1HH2 ARG 13 -4.142 15.843 -12.207 103 HH22 ARG 13 2HH2 ARG 13 -3.129 17.212 -12.546 104 H TYR 14 H TYR 14 -2.949 11.436 -5.120 105 HA TYR 14 HA TYR 14 -4.491 10.010 -7.033 106 HB2 TYR 14 1HB TYR 14 -2.638 8.950 -4.892 107 HB3 TYR 14 2HB TYR 14 -3.307 8.004 -6.217 108 HD1 TYR 14 HD1 TYR 14 -3.005 9.484 -8.571 109 HD2 TYR 14 HD2 TYR 14 -0.380 9.375 -5.229 110 HE1 TYR 14 HE1 TYR 14 -1.134 10.122 -10.029 111 HE2 TYR 14 HE2 TYR 14 1.495 10.025 -6.677 112 HH TYR 14 HH TYR 14 2.149 10.041 -8.951 113 H ARG 15 H ARG 15 -4.597 10.200 -3.514 114 HA ARG 15 HA ARG 15 -6.527 8.215 -3.036 115 HB2 ARG 15 1HB ARG 15 -6.539 10.796 -1.480 116 HB3 ARG 15 2HB ARG 15 -6.871 9.170 -0.923 117 HG2 ARG 15 1HG ARG 15 -4.571 8.566 -0.982 118 HG3 ARG 15 2HG ARG 15 -4.141 10.075 -1.790 119 HD2 ARG 15 1HD ARG 15 -3.559 10.512 0.418 120 HD3 ARG 15 2HD ARG 15 -5.176 11.204 0.308 121 HE ARG 15 HE ARG 15 -4.998 8.459 1.271 122 HH11 ARG 15 1HH1 ARG 15 -5.258 11.859 2.074 123 HH12 ARG 15 2HH1 ARG 15 -5.830 11.565 3.685 124 HH21 ARG 15 1HH2 ARG 15 -5.682 8.060 3.377 125 HH22 ARG 15 2HH2 ARG 15 -6.059 9.388 4.437 126 H THR 16 H THR 16 -6.851 11.634 -3.792 127 HA THR 16 HA THR 16 -9.616 11.873 -3.658 128 HB THR 16 HB THR 16 -7.523 13.339 -5.246 129 HG1 THR 16 HG1 THR 16 -7.321 13.882 -3.162 130 HG21 THR 16 1HG2 THR 16 -9.612 13.563 -6.470 131 HG22 THR 16 2HG2 THR 16 -9.205 15.085 -5.672 132 HG23 THR 16 3HG2 THR 16 -10.449 14.037 -4.990 133 H GLU 17 H GLU 17 -7.564 11.247 -6.513 134 HA GLU 17 HA GLU 17 -9.633 11.036 -8.397 135 HB2 GLU 17 1HB GLU 17 -7.094 9.410 -8.553 136 HB3 GLU 17 2HB GLU 17 -8.069 10.040 -9.866 137 HG2 GLU 17 1HG GLU 17 -6.576 11.811 -7.961 138 HG3 GLU 17 2HG GLU 17 -5.917 11.240 -9.499 139 H CYS 18 H CYS 18 -8.193 8.586 -6.292 140 HA CYS 18 HA CYS 18 -9.657 6.433 -7.428 141 HB2 CYS 18 1HB CYS 18 -8.232 6.696 -4.783 142 HB3 CYS 18 2HB CYS 18 -8.962 5.198 -5.379 143 H VAL 19 H VAL 19 -10.289 8.741 -4.902 144 HA VAL 19 HA VAL 19 -12.497 7.448 -3.747 145 HB VAL 19 HB VAL 19 -11.572 10.298 -3.789 146 HG11 VAL 19 1HG1 VAL 19 -14.148 9.327 -2.551 147 HG12 VAL 19 2HG1 VAL 19 -14.011 10.412 -3.940 148 HG13 VAL 19 3HG1 VAL 19 -13.438 10.932 -2.352 149 HG21 VAL 19 1HG2 VAL 19 -11.998 8.229 -1.637 150 HG22 VAL 19 2HG2 VAL 19 -11.473 9.890 -1.345 151 HG23 VAL 19 3HG2 VAL 19 -10.454 8.794 -2.278 152 H SER 20 H SER 20 -12.287 9.969 -6.219 153 HA SER 20 HA SER 20 -15.056 10.067 -6.749 154 HB2 SER 20 1HB SER 20 -13.402 11.852 -7.295 155 HB3 SER 20 2HB SER 20 -12.770 10.829 -8.583 156 HG SER 20 HG SER 20 -14.503 11.212 -9.773 157 H SER 21 H SER 21 -12.445 8.104 -8.092 158 HA SER 21 HA SER 21 -13.918 7.196 -10.362 159 HB2 SER 21 1HB SER 21 -11.448 7.246 -10.285 160 HB3 SER 21 2HB SER 21 -11.471 6.004 -9.038 161 HG SER 21 HG SER 21 -12.555 5.693 -11.645 162 H LEU 22 H LEU 22 -13.094 5.699 -7.223 163 HA LEU 22 HA LEU 22 -14.642 3.349 -7.913 164 HB2 LEU 22 1HB LEU 22 -12.997 4.088 -5.499 165 HB3 LEU 22 2HB LEU 22 -13.860 2.556 -5.655 166 HG LEU 22 HG LEU 22 -11.773 3.485 -7.622 167 HD11 LEU 22 1HD1 LEU 22 -10.729 3.255 -5.453 168 HD12 LEU 22 2HD1 LEU 22 -10.270 1.897 -6.481 169 HD13 LEU 22 3HD1 LEU 22 -11.491 1.683 -5.224 170 HD21 LEU 22 1HD2 LEU 22 -12.986 0.781 -7.075 171 HD22 LEU 22 2HD2 LEU 22 -11.763 1.152 -8.291 172 HD23 LEU 22 3HD2 LEU 22 -13.384 1.832 -8.437 173 H ASN 23 H ASN 23 -15.583 6.242 -7.006 174 HA ASN 23 HA ASN 23 -17.348 7.180 -5.924 175 HB2 ASN 23 1HB ASN 23 -18.506 4.401 -6.147 176 HB3 ASN 23 2HB ASN 23 -19.409 5.873 -5.839 177 HD21 ASN 23 1HD2 ASN 23 -19.724 4.008 -8.006 178 HD22 ASN 23 2HD2 ASN 23 -19.466 4.901 -9.469 179 H ILE 24 H ILE 24 -15.275 6.367 -4.264 180 HA ILE 24 HA ILE 24 -16.036 4.875 -2.016 181 HB ILE 24 HB ILE 24 -14.042 7.143 -2.130 182 HG12 ILE 24 1HG1 ILE 24 -13.594 5.444 -3.871 183 HG13 ILE 24 2HG1 ILE 24 -12.355 5.434 -2.618 184 HG21 ILE 24 1HG2 ILE 24 -14.614 6.480 0.136 185 HG22 ILE 24 2HG2 ILE 24 -12.968 5.987 -0.258 186 HG23 ILE 24 3HG2 ILE 24 -14.268 4.795 -0.251 187 HD11 ILE 24 1HD1 ILE 24 -13.433 3.463 -1.611 188 HD12 ILE 24 2HD1 ILE 24 -12.928 3.180 -3.280 189 HD13 ILE 24 3HD1 ILE 24 -14.626 3.477 -2.910 190 HA PRO 25 HA PRO 25 -18.954 7.729 -0.157 191 HB2 PRO 25 1HB PRO 25 -18.522 6.057 2.223 192 HB3 PRO 25 2HB PRO 25 -20.012 6.398 1.343 193 HG2 PRO 25 1HG PRO 25 -18.816 4.001 1.245 194 HG3 PRO 25 2HG PRO 25 -19.693 4.682 -0.136 195 HD2 PRO 25 1HD PRO 25 -16.746 4.513 0.347 196 HD3 PRO 25 2HD PRO 25 -17.662 4.324 -1.170 197 H ALA 26 H ALA 26 -18.771 9.454 1.099 198 HA ALA 26 HA ALA 26 -16.297 10.578 1.600 199 HB1 ALA 26 1HB ALA 26 -18.366 11.845 1.349 200 HB2 ALA 26 2HB ALA 26 -17.507 12.300 2.821 201 HB3 ALA 26 3HB ALA 26 -18.921 11.250 2.914 202 H ASP 27 H ASP 27 -18.354 8.731 3.792 203 HA ASP 27 HA ASP 27 -17.120 9.288 6.209 204 HB2 ASP 27 1HB ASP 27 -19.148 7.972 6.094 205 HB3 ASP 27 2HB ASP 27 -18.292 6.660 5.291 206 H TYR 28 H TYR 28 -16.323 6.644 3.947 207 HA TYR 28 HA TYR 28 -14.104 5.650 5.275 208 HB2 TYR 28 1HB TYR 28 -14.946 5.697 2.404 209 HB3 TYR 28 2HB TYR 28 -13.351 5.077 2.821 210 HD1 TYR 28 HD1 TYR 28 -13.110 2.866 3.597 211 HD2 TYR 28 HD2 TYR 28 -16.974 4.637 3.488 212 HE1 TYR 28 HE1 TYR 28 -14.117 0.682 4.093 213 HE2 TYR 28 HE2 TYR 28 -17.990 2.456 3.985 214 HH TYR 28 HH TYR 28 -15.980 -0.443 4.492 215 H VAL 29 H VAL 29 -14.372 8.305 2.965 216 HA VAL 29 HA VAL 29 -11.664 8.769 2.499 217 HB VAL 29 HB VAL 29 -13.881 10.806 2.533 218 HG11 VAL 29 1HG1 VAL 29 -11.182 10.799 1.195 219 HG12 VAL 29 2HG1 VAL 29 -11.704 11.857 2.506 220 HG13 VAL 29 3HG1 VAL 29 -12.445 11.998 0.912 221 HG21 VAL 29 1HG2 VAL 29 -12.888 8.971 0.368 222 HG22 VAL 29 2HG2 VAL 29 -13.967 10.338 0.092 223 HG23 VAL 29 3HG2 VAL 29 -14.492 8.992 1.103 224 H GLU 30 H GLU 30 -13.820 10.203 4.952 225 HA GLU 30 HA GLU 30 -11.846 11.847 6.154 226 HB2 GLU 30 1HB GLU 30 -14.130 10.665 7.705 227 HB3 GLU 30 2HB GLU 30 -13.382 12.251 7.852 228 HG2 GLU 30 1HG GLU 30 -14.328 12.864 5.670 229 HG3 GLU 30 2HG GLU 30 -15.161 11.315 5.627 230 H LYS 31 H LYS 31 -12.785 8.511 6.593 231 HA LYS 31 HA LYS 31 -11.430 8.193 9.068 232 HB2 LYS 31 1HB LYS 31 -12.784 6.455 9.194 233 HB3 LYS 31 2HB LYS 31 -13.321 6.761 7.546 234 HG2 LYS 31 1HG LYS 31 -11.653 5.260 6.683 235 HG3 LYS 31 2HG LYS 31 -10.965 5.037 8.291 236 HD2 LYS 31 1HD LYS 31 -13.679 4.182 7.308 237 HD3 LYS 31 2HD LYS 31 -12.345 3.144 7.831 238 HE2 LYS 31 1HE LYS 31 -12.567 4.082 10.117 239 HE3 LYS 31 2HE LYS 31 -13.948 5.032 9.571 240 HZ1 LYS 31 1HZ LYS 31 -13.761 2.076 9.688 241 HZ2 LYS 31 2HZ LYS 31 -15.047 2.916 8.981 242 HZ3 LYS 31 3HZ LYS 31 -14.741 3.075 10.634 243 H PHE 32 H PHE 32 -10.482 7.786 5.710 244 HA PHE 32 HA PHE 32 -8.197 6.180 6.221 245 HB2 PHE 32 1HB PHE 32 -8.732 8.046 3.900 246 HB3 PHE 32 2HB PHE 32 -7.422 6.874 3.984 247 HD1 PHE 32 HD1 PHE 32 -10.015 7.293 2.111 248 HD2 PHE 32 HD2 PHE 32 -8.831 4.549 5.140 249 HE1 PHE 32 HE1 PHE 32 -11.457 5.572 1.111 250 HE2 PHE 32 HE2 PHE 32 -10.275 2.829 4.148 251 HZ PHE 32 HZ PHE 32 -11.586 3.331 2.128 252 H LYS 33 H LYS 33 -8.880 9.517 6.634 253 HA LYS 33 HA LYS 33 -6.211 10.486 6.554 254 HB2 LYS 33 1HB LYS 33 -8.067 12.009 6.302 255 HB3 LYS 33 2HB LYS 33 -8.703 11.564 7.875 256 HG2 LYS 33 1HG LYS 33 -6.732 12.560 8.948 257 HG3 LYS 33 2HG LYS 33 -6.106 13.009 7.353 258 HD2 LYS 33 1HD LYS 33 -8.039 14.429 6.972 259 HD3 LYS 33 2HD LYS 33 -8.729 13.944 8.522 260 HE2 LYS 33 1HE LYS 33 -6.129 15.422 8.127 261 HE3 LYS 33 2HE LYS 33 -7.649 16.139 8.656 262 HZ1 LYS 33 1HZ LYS 33 -6.235 15.709 10.536 263 HZ2 LYS 33 2HZ LYS 33 -6.083 14.082 10.114 264 HZ3 LYS 33 3HZ LYS 33 -7.580 14.688 10.609 265 H LYS 34 H LYS 34 -8.142 8.862 8.940 266 HA LYS 34 HA LYS 34 -6.157 9.383 11.020 267 HB2 LYS 34 1HB LYS 34 -8.939 8.257 11.056 268 HB3 LYS 34 2HB LYS 34 -7.859 8.004 12.421 269 HG2 LYS 34 1HG LYS 34 -7.612 10.447 12.633 270 HG3 LYS 34 2HG LYS 34 -8.760 10.653 11.309 271 HD2 LYS 34 1HD LYS 34 -10.496 9.567 12.592 272 HD3 LYS 34 2HD LYS 34 -9.355 9.217 13.892 273 HE2 LYS 34 1HE LYS 34 -9.047 11.622 14.251 274 HE3 LYS 34 2HE LYS 34 -10.208 11.958 12.969 275 HZ1 LYS 34 1HZ LYS 34 -11.271 12.110 15.104 276 HZ2 LYS 34 2HZ LYS 34 -10.767 10.552 15.521 277 HZ3 LYS 34 3HZ LYS 34 -11.887 10.772 14.276 278 H TRP 35 H TRP 35 -5.702 7.651 8.672 279 HA TRP 35 HA TRP 35 -4.861 5.641 8.071 280 HB2 TRP 35 1HB TRP 35 -3.848 5.841 10.908 281 HB3 TRP 35 2HB TRP 35 -3.280 4.633 9.747 282 HD1 TRP 35 HD1 TRP 35 -2.948 8.302 10.663 283 HE1 TRP 35 HE1 TRP 35 -1.094 9.374 9.236 284 HE3 TRP 35 HE3 TRP 35 -2.110 4.462 7.386 285 HZ2 TRP 35 HZ2 TRP 35 0.511 8.686 7.020 286 HZ3 TRP 35 HZ3 TRP 35 -0.403 4.753 5.643 287 HH2 TRP 35 HH2 TRP 35 0.884 6.812 5.463 288 H GLU 36 H GLU 36 -7.538 5.417 8.773 289 HA GLU 36 HA GLU 36 -7.644 2.781 10.072 290 HB2 GLU 36 1HB GLU 36 -9.729 4.910 9.689 291 HB3 GLU 36 2HB GLU 36 -10.160 3.255 10.085 292 HG2 GLU 36 1HG GLU 36 -8.831 3.430 12.135 293 HG3 GLU 36 2HG GLU 36 -8.450 5.098 11.722 294 H PHE 37 H PHE 37 -7.587 1.173 8.679 295 HA PHE 37 HA PHE 37 -8.984 1.518 6.111 296 HB2 PHE 37 1HB PHE 37 -6.548 -0.198 6.664 297 HB3 PHE 37 2HB PHE 37 -7.326 0.016 5.099 298 HD1 PHE 37 HD1 PHE 37 -5.231 1.572 7.656 299 HD2 PHE 37 HD2 PHE 37 -7.018 2.050 3.822 300 HE1 PHE 37 HE1 PHE 37 -3.794 3.520 7.229 301 HE2 PHE 37 HE2 PHE 37 -5.592 4.004 3.397 302 HZ PHE 37 HZ PHE 37 -3.975 4.742 5.099 303 HA PRO 38 HA PRO 38 -11.380 -1.791 8.255 304 HB2 PRO 38 1HB PRO 38 -13.191 -0.972 6.044 305 HB3 PRO 38 2HB PRO 38 -13.545 -1.257 7.759 306 HG2 PRO 38 1HG PRO 38 -13.444 1.220 6.831 307 HG3 PRO 38 2HG PRO 38 -12.729 0.821 8.404 308 HD2 PRO 38 1HD PRO 38 -11.356 1.232 5.762 309 HD3 PRO 38 2HD PRO 38 -10.879 1.803 7.389 310 H GLU 39 H GLU 39 -11.662 -3.864 7.674 311 HA GLU 39 HA GLU 39 -10.417 -4.680 5.200 312 HB2 GLU 39 1HB GLU 39 -9.839 -5.727 7.362 313 HB3 GLU 39 2HB GLU 39 -11.476 -6.353 7.479 314 HG2 GLU 39 1HG GLU 39 -11.148 -7.867 5.745 315 HG3 GLU 39 2HG GLU 39 -9.733 -7.006 5.137 316 H ASP 40 H ASP 40 -12.104 -3.825 3.866 317 HA ASP 40 HA ASP 40 -14.048 -5.850 3.202 318 HB2 ASP 40 1HB ASP 40 -16.022 -4.637 3.498 319 HB3 ASP 40 2HB ASP 40 -15.103 -4.198 4.925 320 H ASP 41 H ASP 41 -15.253 -5.185 1.143 321 HA ASP 41 HA ASP 41 -13.455 -4.976 -0.901 322 HB2 ASP 41 1HB ASP 41 -16.376 -4.209 -0.910 323 HB3 ASP 41 2HB ASP 41 -15.395 -4.307 -2.365 324 H THR 42 H THR 42 -15.198 -2.269 0.578 325 HA THR 42 HA THR 42 -14.757 -0.313 -1.336 326 HB THR 42 HB THR 42 -14.675 0.237 1.616 327 HG1 THR 42 HG1 THR 42 -16.445 -0.994 1.561 328 HG21 THR 42 1HG2 THR 42 -14.360 2.143 0.135 329 HG22 THR 42 2HG2 THR 42 -15.922 2.245 0.949 330 HG23 THR 42 3HG2 THR 42 -15.836 1.727 -0.736 331 H THR 43 H THR 43 -12.905 -0.710 1.662 332 HA THR 43 HA THR 43 -10.866 1.091 1.039 333 HB THR 43 HB THR 43 -10.587 -1.323 2.822 334 HG1 THR 43 HG1 THR 43 -11.494 0.054 4.452 335 HG21 THR 43 1HG2 THR 43 -8.527 -0.099 2.502 336 HG22 THR 43 2HG2 THR 43 -9.143 0.227 4.122 337 HG23 THR 43 3HG2 THR 43 -9.338 1.427 2.846 338 H MET 44 H MET 44 -11.258 -2.310 0.280 339 HA MET 44 HA MET 44 -8.542 -2.903 -0.170 340 HB2 MET 44 1HB MET 44 -11.023 -4.251 -1.230 341 HB3 MET 44 2HB MET 44 -9.397 -4.911 -1.364 342 HG2 MET 44 1HG MET 44 -9.216 -4.992 1.058 343 HG3 MET 44 2HG MET 44 -10.826 -4.294 1.210 344 HE1 MET 44 1HE MET 44 -11.559 -6.245 2.805 345 HE2 MET 44 2HE MET 44 -9.934 -6.925 2.680 346 HE3 MET 44 3HE MET 44 -11.343 -7.956 2.426 347 H CYS 45 H CYS 45 -11.146 -2.260 -2.533 348 HA CYS 45 HA CYS 45 -9.359 -2.232 -4.737 349 HB2 CYS 45 1HB CYS 45 -12.163 -1.145 -4.453 350 HB3 CYS 45 2HB CYS 45 -11.256 -1.106 -5.960 351 H TYR 46 H TYR 46 -10.411 0.189 -2.466 352 HA TYR 46 HA TYR 46 -9.588 2.483 -3.817 353 HB2 TYR 46 1HB TYR 46 -10.875 2.798 -1.877 354 HB3 TYR 46 2HB TYR 46 -9.817 1.780 -0.900 355 HD1 TYR 46 HD1 TYR 46 -8.243 2.786 0.473 356 HD2 TYR 46 HD2 TYR 46 -9.816 4.994 -2.809 357 HE1 TYR 46 HE1 TYR 46 -7.050 4.787 1.255 358 HE2 TYR 46 HE2 TYR 46 -8.627 7.001 -2.030 359 HH TYR 46 HH TYR 46 -6.313 6.873 0.582 360 H ILE 47 H ILE 47 -7.830 0.463 -1.486 361 HA ILE 47 HA ILE 47 -5.374 1.756 -1.591 362 HB ILE 47 HB ILE 47 -6.034 -1.136 -1.068 363 HG12 ILE 47 1HG1 ILE 47 -6.942 0.401 0.580 364 HG13 ILE 47 2HG1 ILE 47 -5.606 -0.497 1.297 365 HG21 ILE 47 1HG2 ILE 47 -3.741 -1.058 -1.827 366 HG22 ILE 47 2HG2 ILE 47 -3.778 -1.341 -0.086 367 HG23 ILE 47 3HG2 ILE 47 -3.386 0.261 -0.710 368 HD11 ILE 47 1HD1 ILE 47 -5.423 1.753 2.009 369 HD12 ILE 47 2HD1 ILE 47 -5.621 2.364 0.369 370 HD13 ILE 47 3HD1 ILE 47 -4.151 1.495 0.814 371 H LYS 48 H LYS 48 -6.672 -0.826 -3.624 372 HA LYS 48 HA LYS 48 -4.324 -1.413 -5.027 373 HB2 LYS 48 1HB LYS 48 -6.501 -2.727 -5.002 374 HB3 LYS 48 2HB LYS 48 -7.106 -1.572 -6.180 375 HG2 LYS 48 1HG LYS 48 -5.095 -2.179 -7.598 376 HG3 LYS 48 2HG LYS 48 -4.841 -3.518 -6.478 377 HD2 LYS 48 1HD LYS 48 -6.082 -4.451 -8.215 378 HD3 LYS 48 2HD LYS 48 -7.273 -4.136 -6.955 379 HE2 LYS 48 1HE LYS 48 -8.201 -3.436 -9.032 380 HE3 LYS 48 2HE LYS 48 -7.803 -1.990 -8.108 381 HZ1 LYS 48 1HZ LYS 48 -5.811 -1.717 -9.410 382 HZ2 LYS 48 2HZ LYS 48 -7.140 -1.829 -10.447 383 HZ3 LYS 48 3HZ LYS 48 -6.105 -3.159 -10.252 384 H CYS 49 H CYS 49 -6.992 0.799 -5.748 385 HA CYS 49 HA CYS 49 -6.144 1.682 -8.235 386 HB2 CYS 49 1HB CYS 49 -8.333 2.206 -7.588 387 HB3 CYS 49 2HB CYS 49 -7.813 2.996 -6.102 388 H VAL 50 H VAL 50 -5.416 3.128 -5.022 389 HA VAL 50 HA VAL 50 -3.947 5.260 -6.217 390 HB VAL 50 HB VAL 50 -3.752 6.207 -4.196 391 HG11 VAL 50 1HG1 VAL 50 -5.471 5.697 -2.649 392 HG12 VAL 50 2HG1 VAL 50 -5.612 4.053 -3.260 393 HG13 VAL 50 3HG1 VAL 50 -6.080 5.413 -4.279 394 HG21 VAL 50 1HG2 VAL 50 -1.981 4.648 -3.463 395 HG22 VAL 50 2HG2 VAL 50 -3.231 3.575 -2.828 396 HG23 VAL 50 3HG2 VAL 50 -3.028 5.189 -2.153 397 H PHE 51 H PHE 51 -3.125 2.060 -5.116 398 HA PHE 51 HA PHE 51 -0.318 2.506 -5.066 399 HB2 PHE 51 1HB PHE 51 -2.119 0.196 -4.783 400 HB3 PHE 51 2HB PHE 51 -0.549 -0.176 -5.469 401 HD1 PHE 51 HD1 PHE 51 -2.203 1.391 -2.545 402 HD2 PHE 51 HD2 PHE 51 1.352 -0.325 -4.136 403 HE1 PHE 51 HE1 PHE 51 -1.203 1.392 -0.300 404 HE2 PHE 51 HE2 PHE 51 2.357 -0.324 -1.896 405 HZ PHE 51 HZ PHE 51 1.080 0.534 0.029 406 H ASN 52 H ASN 52 -2.630 1.611 -7.501 407 HA ASN 52 HA ASN 52 -0.738 0.915 -9.523 408 HB2 ASN 52 1HB ASN 52 -3.670 1.642 -9.561 409 HB3 ASN 52 2HB ASN 52 -2.761 1.407 -11.058 410 HD21 ASN 52 1HD2 ASN 52 -4.074 -0.353 -11.602 411 HD22 ASN 52 2HD2 ASN 52 -3.868 -1.892 -10.842 412 H LYS 53 H LYS 53 -2.454 3.836 -8.591 413 HA LYS 53 HA LYS 53 -1.556 5.416 -10.776 414 HB2 LYS 53 1HB LYS 53 -2.838 6.027 -8.133 415 HB3 LYS 53 2HB LYS 53 -2.293 7.326 -9.185 416 HG2 LYS 53 1HG LYS 53 -3.790 6.516 -10.946 417 HG3 LYS 53 2HG LYS 53 -4.311 5.195 -9.898 418 HD2 LYS 53 1HD LYS 53 -5.154 6.855 -8.277 419 HD3 LYS 53 2HD LYS 53 -4.690 8.147 -9.388 420 HE2 LYS 53 1HE LYS 53 -6.675 5.948 -9.967 421 HE3 LYS 53 2HE LYS 53 -7.079 7.612 -9.552 422 HZ1 LYS 53 1HZ LYS 53 -5.887 8.320 -11.567 423 HZ2 LYS 53 2HZ LYS 53 -7.199 7.313 -11.912 424 HZ3 LYS 53 3HZ LYS 53 -5.627 6.699 -11.975 425 H MET 54 H MET 54 -0.285 4.674 -7.620 426 HA MET 54 HA MET 54 1.707 6.768 -7.703 427 HB2 MET 54 1HB MET 54 1.145 4.521 -5.784 428 HB3 MET 54 2HB MET 54 2.547 5.572 -5.618 429 HG2 MET 54 1HG MET 54 1.212 7.448 -5.202 430 HG3 MET 54 2HG MET 54 -0.247 6.646 -5.779 431 HE1 MET 54 1HE MET 54 1.816 5.928 -1.730 432 HE2 MET 54 2HE MET 54 2.139 7.282 -2.805 433 HE3 MET 54 3HE MET 54 2.647 5.657 -3.260 434 H GLN 55 H GLN 55 1.404 3.984 -9.324 435 HA GLN 55 HA GLN 55 2.753 2.567 -10.416 436 HB2 GLN 55 1HB GLN 55 4.551 4.921 -10.014 437 HB3 GLN 55 2HB GLN 55 5.136 3.480 -10.858 438 HG2 GLN 55 1HG GLN 55 3.437 3.725 -12.527 439 HG3 GLN 55 2HG GLN 55 2.674 5.024 -11.620 440 HE21 GLN 55 1HE2 GLN 55 2.845 6.504 -13.278 441 HE22 GLN 55 2HE2 GLN 55 4.356 7.186 -13.771 442 H LEU 56 H LEU 56 2.401 1.841 -7.852 443 HA LEU 56 HA LEU 56 5.050 0.998 -6.918 444 HB2 LEU 56 1HB LEU 56 2.804 2.262 -5.542 445 HB3 LEU 56 2HB LEU 56 3.395 0.817 -4.707 446 HG LEU 56 HG LEU 56 5.049 3.217 -5.490 447 HD11 LEU 56 1HD1 LEU 56 5.100 3.690 -3.095 448 HD12 LEU 56 2HD1 LEU 56 4.030 2.326 -2.795 449 HD13 LEU 56 3HD1 LEU 56 3.449 3.715 -3.707 450 HD21 LEU 56 1HD2 LEU 56 6.420 1.247 -5.475 451 HD22 LEU 56 2HD2 LEU 56 5.711 0.717 -3.951 452 HD23 LEU 56 3HD2 LEU 56 6.730 2.154 -3.994 453 H PHE 57 H PHE 57 1.892 0.076 -7.843 454 HA PHE 57 HA PHE 57 2.506 -2.737 -7.278 455 HB2 PHE 57 1HB PHE 57 0.916 -2.014 -5.546 456 HB3 PHE 57 2HB PHE 57 -0.152 -1.354 -6.778 457 HD1 PHE 57 HD1 PHE 57 1.096 -4.430 -5.212 458 HD2 PHE 57 HD2 PHE 57 -1.607 -2.761 -8.043 459 HE1 PHE 57 HE1 PHE 57 -0.132 -6.556 -5.294 460 HE2 PHE 57 HE2 PHE 57 -2.834 -4.890 -8.135 461 HZ PHE 57 HZ PHE 57 -2.097 -6.790 -6.756 462 H ASP 58 H ASP 58 2.167 -4.005 -9.007 463 HA ASP 58 HA ASP 58 0.830 -2.785 -11.319 464 HB2 ASP 58 1HB ASP 58 3.119 -3.577 -11.749 465 HB3 ASP 58 2HB ASP 58 2.675 -5.190 -11.202 466 H ASP 59 H ASP 59 -0.987 -3.655 -12.135 467 HA ASP 59 HA ASP 59 -2.605 -5.068 -10.293 468 HB2 ASP 59 1HB ASP 59 -3.380 -3.376 -11.983 469 HB3 ASP 59 2HB ASP 59 -3.176 -4.598 -13.219 470 H THR 60 H THR 60 -0.449 -6.109 -12.697 471 HA THR 60 HA THR 60 -1.633 -8.782 -12.794 472 HB THR 60 HB THR 60 0.434 -7.408 -14.485 473 HG1 THR 60 HG1 THR 60 -2.185 -7.568 -14.595 474 HG21 THR 60 1HG2 THR 60 0.590 -9.430 -15.822 475 HG22 THR 60 2HG2 THR 60 -0.494 -10.269 -14.714 476 HG23 THR 60 3HG2 THR 60 1.099 -9.750 -14.166 477 H GLU 61 H GLU 61 1.656 -7.351 -12.515 478 HA GLU 61 HA GLU 61 2.740 -9.835 -11.548 479 HB2 GLU 61 1HB GLU 61 4.193 -7.208 -11.523 480 HB3 GLU 61 2HB GLU 61 4.837 -8.832 -11.701 481 HG2 GLU 61 1HG GLU 61 3.728 -9.009 -13.885 482 HG3 GLU 61 2HG GLU 61 3.201 -7.338 -13.722 483 H GLY 62 H GLY 62 1.171 -7.298 -9.955 484 HA2 GLY 62 1HA GLY 62 0.672 -7.299 -7.668 485 HA3 GLY 62 2HA GLY 62 1.969 -8.467 -7.416 486 HA PRO 63 HA PRO 63 3.392 -4.528 -5.483 487 HB2 PRO 63 1HB PRO 63 5.039 -6.466 -3.972 488 HB3 PRO 63 2HB PRO 63 3.985 -5.177 -3.377 489 HG2 PRO 63 1HG PRO 63 3.323 -7.780 -3.169 490 HG3 PRO 63 2HG PRO 63 2.111 -6.505 -3.413 491 HD2 PRO 63 1HD PRO 63 3.232 -8.468 -5.374 492 HD3 PRO 63 2HD PRO 63 1.583 -7.805 -5.248 493 H LEU 64 H LEU 64 4.926 -3.436 -6.491 494 HA LEU 64 HA LEU 64 7.103 -4.849 -7.813 495 HB2 LEU 64 1HB LEU 64 6.511 -1.886 -7.806 496 HB3 LEU 64 2HB LEU 64 7.593 -2.747 -8.885 497 HG LEU 64 HG LEU 64 4.602 -3.137 -8.801 498 HD11 LEU 64 1HD1 LEU 64 6.327 -1.686 -10.807 499 HD12 LEU 64 2HD1 LEU 64 5.188 -0.941 -9.684 500 HD13 LEU 64 3HD1 LEU 64 4.599 -1.999 -10.965 501 HD21 LEU 64 1HD2 LEU 64 5.871 -5.129 -9.455 502 HD22 LEU 64 2HD2 LEU 64 6.680 -4.191 -10.711 503 HD23 LEU 64 3HD2 LEU 64 4.939 -4.466 -10.799 504 H VAL 65 H VAL 65 8.414 -5.521 -6.252 505 HA VAL 65 HA VAL 65 8.989 -4.347 -3.844 506 HB VAL 65 HB VAL 65 10.711 -6.185 -5.486 507 HG11 VAL 65 1HG1 VAL 65 10.937 -5.485 -2.561 508 HG12 VAL 65 2HG1 VAL 65 12.076 -5.027 -3.829 509 HG13 VAL 65 3HG1 VAL 65 11.869 -6.727 -3.399 510 HG21 VAL 65 1HG2 VAL 65 8.750 -6.673 -3.257 511 HG22 VAL 65 2HG2 VAL 65 9.801 -7.902 -3.962 512 HG23 VAL 65 3HG2 VAL 65 8.561 -7.129 -4.948 513 H ASP 66 H ASP 66 10.765 -3.939 -6.902 514 HA ASP 66 HA ASP 66 12.954 -2.549 -5.849 515 HB2 ASP 66 1HB ASP 66 12.960 -3.450 -8.105 516 HB3 ASP 66 2HB ASP 66 11.717 -2.302 -8.590 517 H ASN 67 H ASN 67 9.950 -1.257 -7.278 518 HA ASN 67 HA ASN 67 10.579 1.452 -6.779 519 HB2 ASN 67 1HB ASN 67 7.940 0.067 -7.240 520 HB3 ASN 67 2HB ASN 67 8.085 1.804 -7.023 521 HD21 ASN 67 1HD2 ASN 67 7.330 2.284 -9.040 522 HD22 ASN 67 2HD2 ASN 67 8.254 1.999 -10.475 523 H LEU 68 H LEU 68 8.950 -1.030 -4.939 524 HA LEU 68 HA LEU 68 7.876 0.538 -2.895 525 HB2 LEU 68 1HB LEU 68 8.689 -2.330 -3.121 526 HB3 LEU 68 2HB LEU 68 8.208 -1.683 -1.560 527 HG LEU 68 HG LEU 68 6.456 -1.411 -3.986 528 HD11 LEU 68 1HD1 LEU 68 5.256 -3.399 -3.242 529 HD12 LEU 68 2HD1 LEU 68 6.454 -3.654 -1.971 530 HD13 LEU 68 3HD1 LEU 68 6.922 -3.791 -3.664 531 HD21 LEU 68 1HD2 LEU 68 4.708 -1.170 -2.306 532 HD22 LEU 68 2HD2 LEU 68 5.981 0.028 -2.075 533 HD23 LEU 68 3HD2 LEU 68 5.904 -1.387 -1.027 534 H VAL 69 H VAL 69 11.012 -1.083 -3.123 535 HA VAL 69 HA VAL 69 11.967 -0.218 -0.598 536 HB VAL 69 HB VAL 69 13.505 -1.100 -3.032 537 HG11 VAL 69 1HG1 VAL 69 14.959 0.104 -1.555 538 HG12 VAL 69 2HG1 VAL 69 15.280 -1.620 -1.371 539 HG13 VAL 69 3HG1 VAL 69 14.325 -0.766 -0.159 540 HG21 VAL 69 1HG2 VAL 69 13.569 -3.269 -1.972 541 HG22 VAL 69 2HG2 VAL 69 11.894 -2.756 -2.178 542 HG23 VAL 69 3HG2 VAL 69 12.662 -2.649 -0.593 543 H HIS 70 H HIS 70 12.410 1.050 -3.901 544 HA HIS 70 HA HIS 70 14.152 3.145 -3.187 545 HB2 HIS 70 1HB HIS 70 12.331 2.667 -5.517 546 HB3 HIS 70 2HB HIS 70 13.111 4.235 -5.326 547 HD1 HIS 70 HD1 HIS 70 13.686 0.895 -6.654 548 HD2 HIS 70 HD2 HIS 70 16.033 4.028 -5.251 549 HE1 HIS 70 HE1 HIS 70 16.005 0.444 -7.515 550 HE2 HIS 70 HE2 HIS 70 17.394 2.386 -6.709 551 H GLN 71 H GLN 71 10.737 2.802 -2.925 552 HA GLN 71 HA GLN 71 10.195 5.604 -2.509 553 HB2 GLN 71 1HB GLN 71 8.553 4.094 -3.541 554 HB3 GLN 71 2HB GLN 71 8.487 3.147 -2.065 555 HG2 GLN 71 1HG GLN 71 6.564 4.637 -2.290 556 HG3 GLN 71 2HG GLN 71 7.532 4.995 -0.864 557 HE21 GLN 71 1HE2 GLN 71 8.400 6.956 -0.624 558 HE22 GLN 71 2HE2 GLN 71 8.216 8.246 -1.751 559 H LEU 72 H LEU 72 9.825 2.720 -0.472 560 HA LEU 72 HA LEU 72 9.365 4.163 1.896 561 HB2 LEU 72 1HB LEU 72 10.222 1.310 1.452 562 HB3 LEU 72 2HB LEU 72 9.788 1.955 3.020 563 HG LEU 72 HG LEU 72 7.924 1.892 0.645 564 HD11 LEU 72 1HD1 LEU 72 6.835 0.009 1.792 565 HD12 LEU 72 2HD1 LEU 72 8.123 0.009 2.999 566 HD13 LEU 72 3HD1 LEU 72 8.490 -0.380 1.318 567 HD21 LEU 72 1HD2 LEU 72 7.499 2.491 3.570 568 HD22 LEU 72 2HD2 LEU 72 6.199 2.222 2.410 569 HD23 LEU 72 3HD2 LEU 72 7.289 3.593 2.206 570 H ALA 73 H ALA 73 12.273 2.503 0.696 571 HA ALA 73 HA ALA 73 13.819 3.224 3.006 572 HB1 ALA 73 1HB ALA 73 15.560 1.947 2.047 573 HB2 ALA 73 2HB ALA 73 14.826 2.032 0.447 574 HB3 ALA 73 3HB ALA 73 14.053 1.091 1.717 575 H HIS 74 H HIS 74 12.847 5.534 1.494 576 HA HIS 74 HA HIS 74 15.032 6.509 -0.085 577 HB2 HIS 74 1HB HIS 74 13.801 8.564 -0.341 578 HB3 HIS 74 2HB HIS 74 12.678 7.223 -0.500 579 HD1 HIS 74 HD1 HIS 74 12.576 10.433 0.673 580 HD2 HIS 74 HD2 HIS 74 11.612 6.811 2.477 581 HE1 HIS 74 HE1 HIS 74 11.018 11.010 2.554 582 HE2 HIS 74 HE2 HIS 74 10.554 8.827 3.715 583 H GLY 75 H GLY 75 16.800 6.290 1.260 584 HA2 GLY 75 1HA GLY 75 18.388 7.559 2.519 585 HA3 GLY 75 2HA GLY 75 17.050 8.371 3.325 586 H ARG 76 H ARG 76 17.030 4.943 2.820 587 HA ARG 76 HA ARG 76 17.867 4.424 5.568 588 HB2 ARG 76 1HB ARG 76 15.139 3.985 4.462 589 HB3 ARG 76 2HB ARG 76 15.771 2.776 5.576 590 HG2 ARG 76 1HG ARG 76 16.207 4.667 7.175 591 HG3 ARG 76 2HG ARG 76 15.286 5.701 6.081 592 HD2 ARG 76 1HD ARG 76 13.401 4.060 6.281 593 HD3 ARG 76 2HD ARG 76 14.320 3.265 7.556 594 HE ARG 76 HE ARG 76 13.862 6.103 7.925 595 HH11 ARG 76 1HH1 ARG 76 12.822 2.840 8.648 596 HH12 ARG 76 2HH1 ARG 76 11.809 3.321 9.968 597 HH21 ARG 76 1HH2 ARG 76 12.543 6.735 9.677 598 HH22 ARG 76 2HH2 ARG 76 11.663 5.531 10.566 599 H ASP 77 H ASP 77 17.973 1.969 5.928 600 HA ASP 77 HA ASP 77 19.556 0.801 3.919 601 HB2 ASP 77 1HB ASP 77 18.341 -0.264 6.444 602 HB3 ASP 77 2HB ASP 77 19.155 -1.340 5.314 603 H ALA 78 H ALA 78 18.776 0.402 2.035 604 HA ALA 78 HA ALA 78 16.198 -0.334 1.318 605 HB1 ALA 78 1HB ALA 78 18.788 -0.956 -0.088 606 HB2 ALA 78 2HB ALA 78 17.866 0.541 -0.234 607 HB3 ALA 78 3HB ALA 78 17.184 -0.976 -0.817 608 H GLU 79 H GLU 79 18.911 -2.248 2.378 609 HA GLU 79 HA GLU 79 18.033 -4.784 1.513 610 HB2 GLU 79 1HB GLU 79 19.841 -3.991 3.794 611 HB3 GLU 79 2HB GLU 79 19.604 -5.648 3.255 612 HG2 GLU 79 1HG GLU 79 20.528 -5.132 1.101 613 HG3 GLU 79 2HG GLU 79 20.649 -3.425 1.516 614 H GLU 80 H GLU 80 17.573 -3.029 4.556 615 HA GLU 80 HA GLU 80 16.153 -5.127 5.852 616 HB2 GLU 80 1HB GLU 80 16.226 -2.162 6.432 617 HB3 GLU 80 2HB GLU 80 15.568 -3.392 7.508 618 HG2 GLU 80 1HG GLU 80 17.851 -4.433 7.513 619 HG3 GLU 80 2HG GLU 80 18.420 -3.002 6.670 620 H VAL 81 H VAL 81 15.214 -2.152 4.204 621 HA VAL 81 HA VAL 81 12.457 -2.323 4.575 622 HB VAL 81 HB VAL 81 14.074 -1.024 2.395 623 HG11 VAL 81 1HG1 VAL 81 11.138 -0.752 3.024 624 HG12 VAL 81 2HG1 VAL 81 11.848 -1.357 1.526 625 HG13 VAL 81 3HG1 VAL 81 12.044 0.339 1.975 626 HG21 VAL 81 1HG2 VAL 81 12.825 -0.038 4.944 627 HG22 VAL 81 2HG2 VAL 81 13.511 1.019 3.709 628 HG23 VAL 81 3HG2 VAL 81 14.543 -0.138 4.553 629 H ARG 82 H ARG 82 14.447 -3.462 1.839 630 HA ARG 82 HA ARG 82 12.439 -4.549 0.247 631 HB2 ARG 82 1HB ARG 82 14.866 -4.271 -0.345 632 HB3 ARG 82 2HB ARG 82 15.199 -5.699 0.624 633 HG2 ARG 82 1HG ARG 82 13.642 -6.970 -0.832 634 HG3 ARG 82 2HG ARG 82 13.520 -5.543 -1.854 635 HD2 ARG 82 1HD ARG 82 16.006 -7.122 -1.241 636 HD3 ARG 82 2HD ARG 82 15.159 -7.035 -2.785 637 HE ARG 82 HE ARG 82 15.789 -4.642 -2.832 638 HH11 ARG 82 1HH1 ARG 82 17.631 -6.856 -0.826 639 HH12 ARG 82 2HH1 ARG 82 19.075 -5.896 -0.879 640 HH21 ARG 82 1HH2 ARG 82 17.676 -3.355 -2.857 641 HH22 ARG 82 2HH2 ARG 82 19.099 -3.902 -2.024 642 H THR 83 H THR 83 14.286 -5.965 2.885 643 HA THR 83 HA THR 83 13.372 -8.592 2.691 644 HB THR 83 HB THR 83 14.468 -6.942 4.952 645 HG1 THR 83 HG1 THR 83 16.154 -7.493 3.803 646 HG21 THR 83 1HG2 THR 83 14.700 -9.002 6.275 647 HG22 THR 83 2HG2 THR 83 13.765 -9.878 5.062 648 HG23 THR 83 3HG2 THR 83 13.009 -8.585 5.996 649 H GLU 84 H GLU 84 12.222 -5.917 4.733 650 HA GLU 84 HA GLU 84 10.081 -7.238 5.939 651 HB2 GLU 84 1HB GLU 84 10.443 -4.319 5.285 652 HB3 GLU 84 2HB GLU 84 9.109 -4.939 6.243 653 HG2 GLU 84 1HG GLU 84 12.035 -5.038 6.916 654 HG3 GLU 84 2HG GLU 84 10.781 -4.098 7.716 655 H VAL 85 H VAL 85 10.150 -5.309 2.951 656 HA VAL 85 HA VAL 85 7.464 -5.474 2.268 657 HB VAL 85 HB VAL 85 9.943 -5.318 0.558 658 HG11 VAL 85 1HG1 VAL 85 8.472 -4.769 -1.339 659 HG12 VAL 85 2HG1 VAL 85 7.070 -5.178 -0.349 660 HG13 VAL 85 3HG1 VAL 85 8.243 -6.425 -0.773 661 HG21 VAL 85 1HG2 VAL 85 7.808 -3.318 1.282 662 HG22 VAL 85 2HG2 VAL 85 9.171 -3.013 0.204 663 HG23 VAL 85 3HG2 VAL 85 9.457 -3.369 1.907 664 H LEU 86 H LEU 86 10.118 -7.682 1.410 665 HA LEU 86 HA LEU 86 8.660 -9.428 -0.198 666 HB2 LEU 86 1HB LEU 86 11.117 -9.889 1.492 667 HB3 LEU 86 2HB LEU 86 10.476 -11.075 0.359 668 HG LEU 86 HG LEU 86 11.314 -8.305 -0.465 669 HD11 LEU 86 1HD1 LEU 86 12.911 -10.859 -0.556 670 HD12 LEU 86 2HD1 LEU 86 13.219 -9.486 0.509 671 HD13 LEU 86 3HD1 LEU 86 13.395 -9.306 -1.238 672 HD21 LEU 86 1HD2 LEU 86 10.772 -10.849 -1.981 673 HD22 LEU 86 2HD2 LEU 86 11.424 -9.372 -2.690 674 HD23 LEU 86 3HD2 LEU 86 9.801 -9.377 -2.002 675 H LYS 87 H LYS 87 8.974 -9.267 3.285 676 HA LYS 87 HA LYS 87 7.942 -11.842 3.887 677 HB2 LYS 87 1HB LYS 87 8.004 -9.280 5.484 678 HB3 LYS 87 2HB LYS 87 7.405 -10.800 6.130 679 HG2 LYS 87 1HG LYS 87 9.574 -11.820 5.856 680 HG3 LYS 87 2HG LYS 87 10.195 -10.348 5.088 681 HD2 LYS 87 1HD LYS 87 9.704 -9.114 7.182 682 HD3 LYS 87 2HD LYS 87 9.220 -10.636 7.929 683 HE2 LYS 87 1HE LYS 87 11.422 -11.524 7.715 684 HE3 LYS 87 2HE LYS 87 11.934 -10.164 6.717 685 HZ1 LYS 87 1HZ LYS 87 11.644 -8.696 8.608 686 HZ2 LYS 87 2HZ LYS 87 12.718 -9.949 8.995 687 HZ3 LYS 87 3HZ LYS 87 11.129 -9.993 9.569 688 H CYS 88 H CYS 88 6.510 -8.951 2.787 689 HA CYS 88 HA CYS 88 3.860 -9.792 3.697 690 HB2 CYS 88 1HB CYS 88 5.052 -7.145 2.974 691 HB3 CYS 88 2HB CYS 88 3.290 -7.366 2.914 692 H VAL 89 H VAL 89 5.838 -9.649 0.940 693 HA VAL 89 HA VAL 89 3.822 -9.418 -1.054 694 HB VAL 89 HB VAL 89 6.572 -10.662 -1.205 695 HG11 VAL 89 1HG1 VAL 89 6.321 -10.428 -3.642 696 HG12 VAL 89 2HG1 VAL 89 4.654 -9.897 -3.404 697 HG13 VAL 89 3HG1 VAL 89 5.131 -11.536 -2.958 698 HG21 VAL 89 1HG2 VAL 89 6.689 -8.311 -0.685 699 HG22 VAL 89 2HG2 VAL 89 5.561 -7.932 -1.988 700 HG23 VAL 89 3HG2 VAL 89 7.167 -8.559 -2.364 701 H ASP 90 H ASP 90 2.234 -10.812 -1.296 702 HA ASP 90 HA ASP 90 2.768 -13.669 -0.873 703 HB2 ASP 90 1HB ASP 90 1.317 -12.671 0.896 704 HB3 ASP 90 2HB ASP 90 0.162 -12.226 -0.362 705 H LYS 91 H LYS 91 1.132 -15.058 -2.035 706 HA LYS 91 HA LYS 91 1.131 -14.284 -4.831 707 HB2 LYS 91 1HB LYS 91 0.061 -16.849 -3.675 708 HB3 LYS 91 2HB LYS 91 0.686 -16.549 -5.292 709 HG2 LYS 91 1HG LYS 91 2.920 -16.261 -4.387 710 HG3 LYS 91 2HG LYS 91 2.304 -16.560 -2.765 711 HD2 LYS 91 1HD LYS 91 2.142 -18.520 -5.050 712 HD3 LYS 91 2HD LYS 91 3.379 -18.544 -3.793 713 HE2 LYS 91 1HE LYS 91 1.600 -18.802 -2.100 714 HE3 LYS 91 2HE LYS 91 0.407 -18.869 -3.395 715 HZ1 LYS 91 1HZ LYS 91 1.025 -21.075 -2.636 716 HZ2 LYS 91 2HZ LYS 91 2.645 -20.783 -3.015 717 HZ3 LYS 91 3HZ LYS 91 1.488 -20.849 -4.245 718 H ASN 92 H ASN 92 -0.703 -14.398 -6.181 719 HA ASN 92 HA ASN 92 -3.072 -13.271 -4.976 720 HB2 ASN 92 1HB ASN 92 -2.120 -12.474 -7.150 721 HB3 ASN 92 2HB ASN 92 -2.563 -14.020 -7.857 722 HD21 ASN 92 1HD2 ASN 92 -3.786 -12.759 -9.358 723 HD22 ASN 92 2HD2 ASN 92 -5.372 -12.205 -8.937 724 H THR 93 H THR 93 -3.475 -15.240 -3.687 725 HA THR 93 HA THR 93 -4.509 -17.544 -5.113 726 HB THR 93 HB THR 93 -4.948 -18.389 -2.775 727 HG1 THR 93 HG1 THR 93 -4.890 -16.887 -1.276 728 HG21 THR 93 1HG2 THR 93 -2.574 -18.745 -2.270 729 HG22 THR 93 2HG2 THR 93 -2.150 -17.490 -3.435 730 HG23 THR 93 3HG2 THR 93 -2.923 -18.977 -3.983 731 H ASP 94 H ASP 94 -5.743 -14.598 -4.091 732 HA ASP 94 HA ASP 94 -8.435 -15.564 -3.568 733 HB2 ASP 94 1HB ASP 94 -7.169 -12.833 -3.567 734 HB3 ASP 94 2HB ASP 94 -8.924 -13.031 -3.498 735 H ASN 95 H ASN 95 -6.555 -14.534 -6.181 736 HA ASN 95 HA ASN 95 -6.932 -14.120 -8.358 737 HB2 ASN 95 1HB ASN 95 -9.597 -15.363 -7.727 738 HB3 ASN 95 2HB ASN 95 -9.113 -14.886 -9.346 739 HD21 ASN 95 1HD2 ASN 95 -7.496 -16.032 -10.396 740 HD22 ASN 95 2HD2 ASN 95 -6.998 -17.612 -9.865 741 H ASN 96 H ASN 96 -7.669 -12.217 -6.182 742 HA ASN 96 HA ASN 96 -9.259 -10.385 -7.825 743 HB2 ASN 96 1HB ASN 96 -10.799 -11.164 -6.151 744 HB3 ASN 96 2HB ASN 96 -9.615 -10.927 -4.865 745 HD21 ASN 96 1HD2 ASN 96 -11.843 -9.410 -7.044 746 HD22 ASN 96 2HD2 ASN 96 -11.868 -7.863 -6.271 747 H ALA 97 H ALA 97 -8.167 -8.591 -8.204 748 HA ALA 97 HA ALA 97 -5.554 -8.271 -7.180 749 HB1 ALA 97 1HB ALA 97 -7.172 -6.306 -8.789 750 HB2 ALA 97 2HB ALA 97 -6.237 -7.640 -9.461 751 HB3 ALA 97 3HB ALA 97 -5.419 -6.333 -8.605 752 H CYS 98 H CYS 98 -8.628 -6.701 -6.400 753 HA CYS 98 HA CYS 98 -7.568 -4.551 -4.910 754 HB2 CYS 98 1HB CYS 98 -10.205 -5.980 -4.484 755 HB3 CYS 98 2HB CYS 98 -9.764 -4.414 -3.812 756 H HIS 99 H HIS 99 -8.479 -7.845 -3.902 757 HA HIS 99 HA HIS 99 -7.867 -7.284 -1.145 758 HB2 HIS 99 1HB HIS 99 -9.540 -9.028 -2.040 759 HB3 HIS 99 2HB HIS 99 -8.133 -10.041 -2.338 760 HD1 HIS 99 HD1 HIS 99 -8.896 -11.789 -0.574 761 HD2 HIS 99 HD2 HIS 99 -8.275 -7.969 0.969 762 HE1 HIS 99 HE1 HIS 99 -8.929 -12.043 1.925 763 HE2 HIS 99 HE2 HIS 99 -8.701 -9.710 2.831 764 H TRP 100 H TRP 100 -6.158 -8.415 -3.909 765 HA TRP 100 HA TRP 100 -4.003 -9.684 -2.576 766 HB2 TRP 100 1HB TRP 100 -4.548 -10.049 -4.965 767 HB3 TRP 100 2HB TRP 100 -4.032 -8.401 -5.322 768 HD1 TRP 100 HD1 TRP 100 -1.775 -10.032 -2.842 769 HE1 TRP 100 HE1 TRP 100 0.397 -10.791 -3.989 770 HE3 TRP 100 HE3 TRP 100 -3.192 -9.466 -7.723 771 HZ2 TRP 100 HZ2 TRP 100 1.376 -11.124 -6.613 772 HZ3 TRP 100 HZ3 TRP 100 -1.581 -10.034 -9.487 773 HH2 TRP 100 HH2 TRP 100 0.653 -10.846 -8.950 774 H ALA 101 H ALA 101 -4.250 -6.466 -4.105 775 HA ALA 101 HA ALA 101 -1.768 -5.493 -3.213 776 HB1 ALA 101 1HB ALA 101 -4.285 -3.979 -3.889 777 HB2 ALA 101 2HB ALA 101 -2.999 -4.425 -5.010 778 HB3 ALA 101 3HB ALA 101 -2.682 -3.265 -3.717 779 H PHE 102 H PHE 102 -4.957 -5.523 -1.790 780 HA PHE 102 HA PHE 102 -4.433 -3.796 0.355 781 HB2 PHE 102 1HB PHE 102 -6.691 -4.370 -0.381 782 HB3 PHE 102 2HB PHE 102 -6.464 -6.025 0.172 783 HD1 PHE 102 HD1 PHE 102 -7.137 -6.595 2.326 784 HD2 PHE 102 HD2 PHE 102 -6.399 -2.506 1.385 785 HE1 PHE 102 HE1 PHE 102 -7.984 -5.935 4.537 786 HE2 PHE 102 HE2 PHE 102 -7.238 -1.844 3.600 787 HZ PHE 102 HZ PHE 102 -8.034 -3.555 5.179 788 H ARG 103 H ARG 103 -3.852 -7.206 -0.156 789 HA ARG 103 HA ARG 103 -3.361 -7.944 2.536 790 HB2 ARG 103 1HB ARG 103 -3.768 -9.618 0.791 791 HB3 ARG 103 2HB ARG 103 -2.281 -9.138 -0.016 792 HG2 ARG 103 1HG ARG 103 -0.935 -9.985 1.717 793 HG3 ARG 103 2HG ARG 103 -2.318 -10.165 2.794 794 HD2 ARG 103 1HD ARG 103 -1.865 -11.724 0.245 795 HD3 ARG 103 2HD ARG 103 -1.602 -12.326 1.883 796 HE ARG 103 HE ARG 103 -4.117 -11.622 2.081 797 HH11 ARG 103 1HH1 ARG 103 -2.506 -13.402 -0.474 798 HH12 ARG 103 2HH1 ARG 103 -3.976 -14.119 -1.059 799 HH21 ARG 103 1HH2 ARG 103 -6.015 -12.579 1.351 800 HH22 ARG 103 2HH2 ARG 103 -5.992 -13.640 -0.029 801 H GLY 104 H GLY 104 -1.243 -6.890 -0.096 802 HA2 GLY 104 1HA GLY 104 1.192 -7.135 1.293 803 HA3 GLY 104 2HA GLY 104 0.900 -6.064 -0.083 804 H PHE 105 H PHE 105 -0.985 -4.368 0.911 805 HA PHE 105 HA PHE 105 0.590 -2.558 2.383 806 HB2 PHE 105 1HB PHE 105 -1.010 -1.666 0.882 807 HB3 PHE 105 2HB PHE 105 -2.316 -2.580 1.621 808 HD1 PHE 105 HD1 PHE 105 0.327 -0.257 2.853 809 HD2 PHE 105 HD2 PHE 105 -3.822 -1.214 2.716 810 HE1 PHE 105 HE1 PHE 105 -0.174 1.696 4.264 811 HE2 PHE 105 HE2 PHE 105 -4.319 0.728 4.134 812 HZ PHE 105 HZ PHE 105 -2.495 2.187 4.909 813 H LYS 106 H LYS 106 -2.180 -4.567 3.266 814 HA LYS 106 HA LYS 106 -2.546 -3.607 5.868 815 HB2 LYS 106 1HB LYS 106 -4.358 -4.803 5.148 816 HB3 LYS 106 2HB LYS 106 -3.387 -6.044 4.363 817 HG2 LYS 106 1HG LYS 106 -2.787 -6.784 6.737 818 HG3 LYS 106 2HG LYS 106 -4.140 -5.769 7.248 819 HD2 LYS 106 1HD LYS 106 -5.603 -7.024 5.683 820 HD3 LYS 106 2HD LYS 106 -4.245 -8.093 5.328 821 HE2 LYS 106 1HE LYS 106 -5.566 -9.194 6.959 822 HE3 LYS 106 2HE LYS 106 -4.139 -8.587 7.797 823 HZ1 LYS 106 1HZ LYS 106 -6.045 -8.116 9.115 824 HZ2 LYS 106 2HZ LYS 106 -6.864 -7.416 7.812 825 HZ3 LYS 106 3HZ LYS 106 -5.504 -6.647 8.477 826 H CYS 107 H CYS 107 -0.678 -6.360 4.661 827 HA CYS 107 HA CYS 107 0.169 -7.367 7.122 828 HB2 CYS 107 1HB CYS 107 0.419 -8.755 5.237 829 HB3 CYS 107 2HB CYS 107 1.284 -7.525 4.323 830 H PHE 108 H PHE 108 1.578 -4.937 4.986 831 HA PHE 108 HA PHE 108 4.040 -4.777 6.406 832 HB2 PHE 108 1HB PHE 108 3.564 -4.235 3.944 833 HB3 PHE 108 2HB PHE 108 2.985 -2.679 4.532 834 HD1 PHE 108 HD1 PHE 108 5.873 -4.794 3.925 835 HD2 PHE 108 HD2 PHE 108 4.561 -1.081 5.539 836 HE1 PHE 108 HE1 PHE 108 8.182 -3.970 3.900 837 HE2 PHE 108 HE2 PHE 108 6.877 -0.252 5.514 838 HZ PHE 108 HZ PHE 108 8.689 -1.698 4.688 839 H GLN 109 H GLN 109 1.151 -2.706 6.235 840 HA GLN 109 HA GLN 109 2.161 -0.699 7.954 841 HB2 GLN 109 1HB GLN 109 -0.079 0.191 7.974 842 HB3 GLN 109 2HB GLN 109 0.329 -0.322 6.346 843 HG2 GLN 109 1HG GLN 109 -1.671 -1.299 6.364 844 HG3 GLN 109 2HG GLN 109 -0.900 -2.543 7.352 845 HE21 GLN 109 1HE2 GLN 109 -2.802 -3.048 8.413 846 HE22 GLN 109 2HE2 GLN 109 -3.534 -1.999 9.579 847 H LYS 110 H LYS 110 0.878 -3.797 8.575 848 HA LYS 110 HA LYS 110 -0.173 -3.340 11.173 849 HB2 LYS 110 1HB LYS 110 -0.774 -5.277 9.799 850 HB3 LYS 110 2HB LYS 110 0.877 -5.863 9.884 851 HG2 LYS 110 1HG LYS 110 -0.424 -7.112 11.415 852 HG3 LYS 110 2HG LYS 110 0.609 -6.030 12.345 853 HD2 LYS 110 1HD LYS 110 -1.247 -4.487 12.656 854 HD3 LYS 110 2HD LYS 110 -2.291 -5.523 11.684 855 HE2 LYS 110 1HE LYS 110 -2.030 -7.319 13.335 856 HE3 LYS 110 2HE LYS 110 -0.996 -6.273 14.307 857 HZ1 LYS 110 1HZ LYS 110 -3.245 -6.284 15.147 858 HZ2 LYS 110 2HZ LYS 110 -3.846 -5.775 13.652 859 HZ3 LYS 110 3HZ LYS 110 -2.859 -4.746 14.559 860 H ASN 111 H ASN 111 3.031 -3.766 9.923 861 HA ASN 111 HA ASN 111 4.043 -4.017 12.681 862 HB2 ASN 111 1HB ASN 111 5.251 -5.247 10.198 863 HB3 ASN 111 2HB ASN 111 5.899 -5.355 11.832 864 HD21 ASN 111 1HD2 ASN 111 3.454 -6.469 9.640 865 HD22 ASN 111 2HD2 ASN 111 2.862 -7.748 10.638 866 H ASN 112 H ASN 112 4.354 -2.471 9.577 867 HA ASN 112 HA ASN 112 6.504 -0.794 10.673 868 HB2 ASN 112 1HB ASN 112 6.472 -2.127 7.959 869 HB3 ASN 112 2HB ASN 112 7.584 -0.826 8.411 870 HD21 ASN 112 1HD2 ASN 112 7.809 -3.818 7.771 871 HD22 ASN 112 2HD2 ASN 112 8.833 -4.418 9.030 872 H LEU 113 H LEU 113 4.325 0.386 10.965 873 HA LEU 113 HA LEU 113 3.302 1.602 8.551 874 HB2 LEU 113 1HB LEU 113 1.711 1.001 10.242 875 HB3 LEU 113 2HB LEU 113 2.561 1.941 11.450 876 HG LEU 113 HG LEU 113 1.952 4.001 10.178 877 HD11 LEU 113 1HD1 LEU 113 0.289 3.872 8.433 878 HD12 LEU 113 2HD1 LEU 113 0.240 2.116 8.574 879 HD13 LEU 113 3HD1 LEU 113 1.699 2.910 7.984 880 HD21 LEU 113 1HD2 LEU 113 0.615 3.230 12.080 881 HD22 LEU 113 2HD2 LEU 113 -0.356 2.240 10.992 882 HD23 LEU 113 3HD2 LEU 113 -0.396 3.998 10.855 883 H SER 114 H SER 114 5.521 2.327 11.083 884 HA SER 114 HA SER 114 5.574 5.142 10.871 885 HB2 SER 114 1HB SER 114 7.859 3.318 11.662 886 HB3 SER 114 2HB SER 114 7.672 5.021 12.078 887 HG SER 114 HG SER 114 7.028 3.644 13.787 888 H LEU 115 H LEU 115 7.327 2.577 9.179 889 HA LEU 115 HA LEU 115 9.058 4.266 7.724 890 HB2 LEU 115 1HB LEU 115 9.432 1.861 8.001 891 HB3 LEU 115 2HB LEU 115 8.008 1.524 7.035 892 HG LEU 115 HG LEU 115 9.104 2.566 5.083 893 HD11 LEU 115 1HD1 LEU 115 10.560 4.122 6.209 894 HD12 LEU 115 2HD1 LEU 115 11.520 3.033 5.207 895 HD13 LEU 115 3HD1 LEU 115 11.448 2.795 6.955 896 HD21 LEU 115 1HD2 LEU 115 10.735 0.398 6.396 897 HD22 LEU 115 2HD2 LEU 115 10.710 0.787 4.677 898 HD23 LEU 115 3HD2 LEU 115 9.261 0.155 5.460 899 H ILE 116 H ILE 116 5.789 3.160 7.218 900 HA ILE 116 HA ILE 116 5.521 4.002 4.530 901 HB ILE 116 HB ILE 116 3.417 3.602 6.668 902 HG12 ILE 116 1HG1 ILE 116 4.378 1.805 4.426 903 HG13 ILE 116 2HG1 ILE 116 4.684 1.574 6.152 904 HG21 ILE 116 1HG2 ILE 116 1.816 3.464 4.807 905 HG22 ILE 116 2HG2 ILE 116 3.098 3.930 3.688 906 HG23 ILE 116 3HG2 ILE 116 2.558 5.059 4.932 907 HD11 ILE 116 1HD1 ILE 116 2.027 1.443 4.756 908 HD12 ILE 116 2HD1 ILE 116 2.254 1.320 6.497 909 HD13 ILE 116 3HD1 ILE 116 2.937 0.094 5.429 910 H LYS 117 H LYS 117 4.739 5.496 7.641 911 HA LYS 117 HA LYS 117 3.752 7.930 6.649 912 HB2 LYS 117 1HB LYS 117 5.040 7.192 9.267 913 HB3 LYS 117 2HB LYS 117 4.420 8.803 8.941 914 HG2 LYS 117 1HG LYS 117 2.188 7.889 8.602 915 HG3 LYS 117 2HG LYS 117 2.793 6.260 8.890 916 HD2 LYS 117 1HD LYS 117 3.381 6.835 11.164 917 HD3 LYS 117 2HD LYS 117 2.937 8.519 10.892 918 HE2 LYS 117 1HE LYS 117 0.615 7.864 10.552 919 HE3 LYS 117 2HE LYS 117 1.052 6.169 10.761 920 HZ1 LYS 117 1HZ LYS 117 1.398 8.266 12.834 921 HZ2 LYS 117 2HZ LYS 117 1.663 6.605 13.024 922 HZ3 LYS 117 3HZ LYS 117 0.098 7.186 12.769 923 H ALA 118 H ALA 118 6.995 6.878 7.567 924 HA ALA 118 HA ALA 118 8.286 9.368 7.228 925 HB1 ALA 118 1HB ALA 118 9.439 6.599 7.039 926 HB2 ALA 118 2HB ALA 118 9.205 7.513 8.529 927 HB3 ALA 118 3HB ALA 118 10.339 8.092 7.307 928 H SER 119 H SER 119 7.498 6.775 5.022 929 HA SER 119 HA SER 119 9.242 7.456 2.936 930 HB2 SER 119 1HB SER 119 8.011 5.294 3.139 931 HB3 SER 119 2HB SER 119 6.533 6.137 2.679 932 HG SER 119 HG SER 119 8.892 5.830 1.126 933 H ILE 120 H ILE 120 5.967 8.556 3.693 934 HA ILE 120 HA ILE 120 5.966 10.237 1.293 935 HB ILE 120 HB ILE 120 3.597 10.666 1.815 936 HG12 ILE 120 1HG1 ILE 120 3.889 8.609 4.001 937 HG13 ILE 120 2HG1 ILE 120 3.916 10.344 4.309 938 HG21 ILE 120 1HG2 ILE 120 4.357 7.755 1.744 939 HG22 ILE 120 2HG2 ILE 120 4.186 8.823 0.353 940 HG23 ILE 120 3HG2 ILE 120 2.774 8.408 1.324 941 HD11 ILE 120 1HD1 ILE 120 1.673 10.544 3.386 942 HD12 ILE 120 2HD1 ILE 120 1.720 9.406 4.733 943 HD13 ILE 120 3HD1 ILE 120 1.644 8.811 3.074 944 H LYS 121 H LYS 121 7.204 10.587 4.214 945 HA LYS 121 HA LYS 121 5.964 12.984 5.144 946 HB2 LYS 121 1HB LYS 121 7.059 11.418 6.666 947 HB3 LYS 121 2HB LYS 121 8.608 11.736 5.901 948 HG2 LYS 121 1HG LYS 121 8.452 14.085 6.625 949 HG3 LYS 121 2HG LYS 121 6.928 13.712 7.432 950 HD2 LYS 121 1HD LYS 121 8.088 12.074 8.844 951 HD3 LYS 121 2HD LYS 121 9.611 12.480 8.051 952 HE2 LYS 121 1HE LYS 121 9.429 13.634 10.179 953 HE3 LYS 121 2HE LYS 121 9.402 14.787 8.847 954 HZ1 LYS 121 1HZ LYS 121 7.741 15.254 10.581 955 HZ2 LYS 121 2HZ LYS 121 6.984 13.782 10.243 956 HZ3 LYS 121 3HZ LYS 121 7.039 14.996 9.066 957 H LYS 122 H LYS 122 6.349 14.997 4.602 958 HA LYS 122 HA LYS 122 8.899 15.688 3.297 959 HB2 LYS 122 1HB LYS 122 6.362 15.808 2.103 960 HB3 LYS 122 2HB LYS 122 6.734 17.455 2.553 961 HG2 LYS 122 1HG LYS 122 8.821 17.362 1.312 962 HG3 LYS 122 2HG LYS 122 8.495 15.682 0.874 963 HD2 LYS 122 1HD LYS 122 6.458 16.396 -0.290 964 HD3 LYS 122 2HD LYS 122 6.807 18.070 0.134 965 HE2 LYS 122 1HE LYS 122 8.614 16.306 -1.514 966 HE3 LYS 122 2HE LYS 122 7.460 17.457 -2.186 967 HZ1 LYS 122 1HZ LYS 122 9.751 18.128 -0.421 968 HZ2 LYS 122 2HZ LYS 122 8.642 19.235 -1.054 969 HZ3 LYS 122 3HZ LYS 122 9.675 18.388 -2.088 970 H ASP 123 H ASP 123 9.895 17.439 4.077 971 HA ASP 123 HA ASP 123 8.601 18.787 6.330 972 HB2 ASP 123 1HB ASP 123 11.510 18.649 5.517 973 HB3 ASP 123 2HB ASP 123 10.905 19.623 6.850 974 H21 ACD 201 H21 ACD 1 -4.310 4.375 1.818 975 H22 ACD 201 H22 ACD 1 -3.057 4.830 2.978 976 H31 ACD 201 H31 ACD 1 -2.037 6.341 1.292 977 H32 ACD 201 H32 ACD 1 -3.304 5.933 0.136 978 H41 ACD 201 H41 ACD 1 -2.573 3.590 0.081 979 H42 ACD 201 H42 ACD 1 -1.181 4.640 -0.240 980 H5 ACD 201 H5 ACD 1 -1.655 2.968 2.279 981 H6 ACD 201 H6 ACD 1 0.555 3.699 2.802 982 H71 ACD 201 H71 ACD 1 0.890 4.904 0.185 983 H72 ACD 201 H72 ACD 1 -0.062 6.078 1.093 984 H8 ACD 201 H8 ACD 1 1.818 6.470 2.657 985 H9 ACD 201 H9 ACD 1 3.949 5.592 2.048 986 H101 ACD 201 H101 ACD 1 2.910 4.721 -0.523 987 H102 ACD 201 H102 ACD 1 2.471 3.430 0.600 988 H11 ACD 201 H11 ACD 1 5.409 4.386 0.478 989 H12 ACD 201 H12 ACD 1 5.800 2.059 0.192 990 H131 ACD 201 H131 ACD 1 2.833 2.002 -0.523 991 H132 ACD 201 H132 ACD 1 3.966 0.654 -0.611 992 H14 ACD 201 H14 ACD 1 2.871 1.706 2.098 993 H15 ACD 201 H15 ACD 1 2.646 -0.629 2.511 994 H161 ACD 201 H161 ACD 1 2.717 -1.333 -0.276 995 H162 ACD 201 H162 ACD 1 4.407 -0.976 0.089 996 H171 ACD 201 H171 ACD 1 4.446 -2.640 1.869 997 H172 ACD 201 H172 ACD 1 2.711 -2.910 1.709 998 H181 ACD 201 H181 ACD 1 4.759 -3.461 -0.480 999 H182 ACD 201 H182 ACD 1 3.025 -3.789 -0.578 1000 H191 ACD 201 H191 ACD 1 5.000 -5.056 1.371 1001 H192 ACD 201 H192 ACD 1 3.258 -5.314 1.426 1002 H201 ACD 201 H201 ACD 1 5.061 -5.998 -0.910 1003 H202 ACD 201 H202 ACD 1 3.350 -6.245 -0.870 1004 H203 ACD 201 H203 ACD 1 4.376 -7.128 0.208 Start of MODEL 29 1 H1 MET 1 1H MET 1 13.484 10.306 -16.000 2 H2 MET 1 2H MET 1 12.518 9.000 -15.532 3 H3 MET 1 3H MET 1 13.241 9.008 -17.057 4 HA MET 1 HA MET 1 14.419 7.521 -15.623 5 HB2 MET 1 1HB MET 1 16.657 8.403 -15.894 6 HB3 MET 1 2HB MET 1 15.692 8.830 -17.299 7 HG2 MET 1 1HG MET 1 15.400 11.082 -16.436 8 HG3 MET 1 2HG MET 1 16.318 10.658 -14.993 9 HE1 MET 1 1HE MET 1 17.002 13.185 -16.756 10 HE2 MET 1 2HE MET 1 18.759 13.065 -16.833 11 HE3 MET 1 3HE MET 1 17.917 12.707 -15.326 12 H GLU 2 H GLU 2 13.809 10.650 -14.214 13 HA GLU 2 HA GLU 2 15.201 10.010 -11.759 14 HB2 GLU 2 1HB GLU 2 13.427 12.347 -12.466 15 HB3 GLU 2 2HB GLU 2 14.372 12.193 -10.995 16 HG2 GLU 2 1HG GLU 2 15.613 12.162 -13.716 17 HG3 GLU 2 2HG GLU 2 15.328 13.649 -12.817 18 H PHE 3 H PHE 3 14.252 8.441 -10.624 19 HA PHE 3 HA PHE 3 11.493 7.894 -10.612 20 HB2 PHE 3 1HB PHE 3 13.094 6.184 -9.965 21 HB3 PHE 3 2HB PHE 3 13.601 7.148 -8.573 22 HD1 PHE 3 HD1 PHE 3 10.893 5.118 -10.000 23 HD2 PHE 3 HD2 PHE 3 12.319 7.188 -6.574 24 HE1 PHE 3 HE1 PHE 3 9.157 4.037 -8.632 25 HE2 PHE 3 HE2 PHE 3 10.587 6.116 -5.192 26 HZ PHE 3 HZ PHE 3 9.001 4.535 -6.223 27 H THR 4 H THR 4 9.932 9.021 -9.785 28 HA THR 4 HA THR 4 10.529 11.008 -7.718 29 HB THR 4 HB THR 4 7.827 10.976 -8.873 30 HG1 THR 4 HG1 THR 4 10.176 11.219 -10.456 31 HG21 THR 4 1HG2 THR 4 8.757 12.730 -7.409 32 HG22 THR 4 2HG2 THR 4 8.222 13.351 -8.972 33 HG23 THR 4 3HG2 THR 4 9.941 13.111 -8.660 34 H VAL 5 H VAL 5 9.962 10.714 -5.727 35 HA VAL 5 HA VAL 5 8.420 8.327 -5.037 36 HB VAL 5 HB VAL 5 9.417 8.332 -2.993 37 HG11 VAL 5 1HG1 VAL 5 11.230 8.298 -4.552 38 HG12 VAL 5 2HG1 VAL 5 11.719 9.115 -3.070 39 HG13 VAL 5 3HG1 VAL 5 11.344 10.056 -4.511 40 HG21 VAL 5 1HG2 VAL 5 9.583 11.344 -3.042 41 HG22 VAL 5 2HG2 VAL 5 10.108 10.311 -1.712 42 HG23 VAL 5 3HG2 VAL 5 8.405 10.371 -2.160 43 H SER 6 H SER 6 6.548 8.336 -3.868 44 HA SER 6 HA SER 6 4.886 10.634 -4.331 45 HB2 SER 6 1HB SER 6 3.133 9.112 -3.286 46 HB3 SER 6 2HB SER 6 3.887 8.530 -4.772 47 HG SER 6 HG SER 6 4.642 7.790 -2.130 48 H THR 7 H THR 7 5.304 12.293 -2.958 49 HA THR 7 HA THR 7 5.609 11.841 -0.118 50 HB THR 7 HB THR 7 5.714 14.285 0.066 51 HG1 THR 7 HG1 THR 7 5.058 14.201 -2.720 52 HG21 THR 7 1HG2 THR 7 7.757 13.084 -0.506 53 HG22 THR 7 2HG2 THR 7 7.724 14.656 -1.304 54 HG23 THR 7 3HG2 THR 7 7.359 13.194 -2.219 55 H THR 8 H THR 8 4.142 13.516 1.259 56 HA THR 8 HA THR 8 1.550 12.492 1.289 57 HB THR 8 HB THR 8 2.358 15.210 2.337 58 HG1 THR 8 HG1 THR 8 3.458 12.918 2.943 59 HG21 THR 8 1HG2 THR 8 0.244 13.234 3.197 60 HG22 THR 8 2HG2 THR 8 -0.037 14.786 2.407 61 HG23 THR 8 3HG2 THR 8 0.635 14.735 4.037 62 H GLU 9 H GLU 9 2.853 15.404 -0.206 63 HA GLU 9 HA GLU 9 0.518 16.612 -1.104 64 HB2 GLU 9 1HB GLU 9 2.785 17.624 -1.141 65 HB3 GLU 9 2HB GLU 9 3.202 16.577 -2.488 66 HG2 GLU 9 1HG GLU 9 2.680 18.741 -3.333 67 HG3 GLU 9 2HG GLU 9 1.392 17.633 -3.803 68 H ASP 10 H ASP 10 2.509 14.110 -2.601 69 HA ASP 10 HA ASP 10 1.007 14.057 -5.045 70 HB2 ASP 10 1HB ASP 10 2.912 11.946 -4.006 71 HB3 ASP 10 2HB ASP 10 2.371 12.169 -5.666 72 H LEU 11 H LEU 11 1.096 12.222 -2.071 73 HA LEU 11 HA LEU 11 -0.379 10.010 -2.917 74 HB2 LEU 11 1HB LEU 11 0.936 9.894 -0.928 75 HB3 LEU 11 2HB LEU 11 0.005 11.186 -0.165 76 HG LEU 11 HG LEU 11 -1.961 9.686 -0.143 77 HD11 LEU 11 1HD1 LEU 11 -1.698 7.338 -0.638 78 HD12 LEU 11 2HD1 LEU 11 -0.020 7.604 -1.112 79 HD13 LEU 11 3HD1 LEU 11 -1.329 8.306 -2.061 80 HD21 LEU 11 1HD2 LEU 11 0.470 8.463 1.152 81 HD22 LEU 11 2HD2 LEU 11 -1.206 8.304 1.678 82 HD23 LEU 11 3HD2 LEU 11 -0.396 9.867 1.774 83 H GLN 12 H GLN 12 -1.452 13.059 -1.426 84 HA GLN 12 HA GLN 12 -4.150 12.203 -1.157 85 HB2 GLN 12 1HB GLN 12 -4.653 14.521 -0.629 86 HB3 GLN 12 2HB GLN 12 -3.207 13.993 0.219 87 HG2 GLN 12 1HG GLN 12 -1.848 15.100 -1.530 88 HG3 GLN 12 2HG GLN 12 -3.338 15.744 -2.217 89 HE21 GLN 12 1HE2 GLN 12 -4.568 16.093 0.412 90 HE22 GLN 12 2HE2 GLN 12 -3.804 17.471 1.121 91 H ARG 13 H ARG 13 -2.297 13.494 -3.744 92 HA ARG 13 HA ARG 13 -4.414 14.466 -5.361 93 HB2 ARG 13 1HB ARG 13 -2.062 15.071 -5.729 94 HB3 ARG 13 2HB ARG 13 -1.703 13.407 -6.162 95 HG2 ARG 13 1HG ARG 13 -3.377 13.655 -8.031 96 HG3 ARG 13 2HG ARG 13 -3.389 15.389 -7.665 97 HD2 ARG 13 1HD ARG 13 -1.019 15.530 -8.094 98 HD3 ARG 13 2HD ARG 13 -0.929 13.787 -8.341 99 HE ARG 13 HE ARG 13 -2.789 14.778 -10.152 100 HH11 ARG 13 1HH1 ARG 13 0.642 15.054 -9.504 101 HH12 ARG 13 2HH1 ARG 13 1.052 15.386 -11.158 102 HH21 ARG 13 1HH2 ARG 13 -2.246 15.197 -12.333 103 HH22 ARG 13 2HH2 ARG 13 -0.586 15.474 -12.763 104 H TYR 14 H TYR 14 -2.591 11.398 -5.396 105 HA TYR 14 HA TYR 14 -4.159 10.202 -7.436 106 HB2 TYR 14 1HB TYR 14 -2.426 8.918 -5.313 107 HB3 TYR 14 2HB TYR 14 -3.092 8.095 -6.719 108 HD1 TYR 14 HD1 TYR 14 -2.609 9.478 -9.002 109 HD2 TYR 14 HD2 TYR 14 -0.177 9.505 -5.507 110 HE1 TYR 14 HE1 TYR 14 -0.667 10.114 -10.365 111 HE2 TYR 14 HE2 TYR 14 1.770 10.146 -6.864 112 HH TYR 14 HH TYR 14 1.516 11.240 -10.063 113 H ARG 15 H ARG 15 -4.319 10.185 -3.944 114 HA ARG 15 HA ARG 15 -6.266 8.189 -3.650 115 HB2 ARG 15 1HB ARG 15 -5.539 8.499 -1.568 116 HB3 ARG 15 2HB ARG 15 -4.822 10.041 -2.001 117 HG2 ARG 15 1HG ARG 15 -6.937 11.167 -1.537 118 HG3 ARG 15 2HG ARG 15 -7.682 9.610 -1.151 119 HD2 ARG 15 1HD ARG 15 -5.987 9.301 0.641 120 HD3 ARG 15 2HD ARG 15 -5.388 10.924 0.311 121 HE ARG 15 HE ARG 15 -7.732 11.654 0.900 122 HH11 ARG 15 1HH1 ARG 15 -6.247 8.769 2.233 123 HH12 ARG 15 2HH1 ARG 15 -7.176 8.822 3.695 124 HH21 ARG 15 1HH2 ARG 15 -8.964 11.721 2.821 125 HH22 ARG 15 2HH2 ARG 15 -8.761 10.478 4.011 126 H THR 16 H THR 16 -6.472 11.625 -4.259 127 HA THR 16 HA THR 16 -9.200 12.026 -3.836 128 HB THR 16 HB THR 16 -7.172 13.356 -5.607 129 HG1 THR 16 HG1 THR 16 -6.931 13.925 -3.508 130 HG21 THR 16 1HG2 THR 16 -8.802 15.120 -6.099 131 HG22 THR 16 2HG2 THR 16 -10.062 14.181 -5.298 132 HG23 THR 16 3HG2 THR 16 -9.308 13.570 -6.773 133 H GLU 17 H GLU 17 -7.440 11.161 -6.805 134 HA GLU 17 HA GLU 17 -9.733 11.092 -8.455 135 HB2 GLU 17 1HB GLU 17 -7.358 9.399 -9.104 136 HB3 GLU 17 2HB GLU 17 -8.351 10.370 -10.165 137 HG2 GLU 17 1HG GLU 17 -7.359 12.406 -9.164 138 HG3 GLU 17 2HG GLU 17 -6.253 11.367 -8.257 139 H CYS 18 H CYS 18 -8.053 8.598 -6.600 140 HA CYS 18 HA CYS 18 -9.528 6.414 -7.617 141 HB2 CYS 18 1HB CYS 18 -8.064 6.741 -4.995 142 HB3 CYS 18 2HB CYS 18 -8.758 5.219 -5.574 143 H VAL 19 H VAL 19 -10.128 8.699 -5.040 144 HA VAL 19 HA VAL 19 -12.298 7.318 -3.879 145 HB VAL 19 HB VAL 19 -11.329 10.143 -3.742 146 HG11 VAL 19 1HG1 VAL 19 -13.906 9.179 -2.509 147 HG12 VAL 19 2HG1 VAL 19 -13.779 10.301 -3.865 148 HG13 VAL 19 3HG1 VAL 19 -13.157 10.759 -2.278 149 HG21 VAL 19 1HG2 VAL 19 -11.229 9.574 -1.329 150 HG22 VAL 19 2HG2 VAL 19 -10.239 8.525 -2.343 151 HG23 VAL 19 3HG2 VAL 19 -11.791 7.949 -1.731 152 H SER 20 H SER 20 -12.113 9.978 -6.180 153 HA SER 20 HA SER 20 -14.855 10.233 -6.660 154 HB2 SER 20 1HB SER 20 -12.566 10.822 -8.552 155 HB3 SER 20 2HB SER 20 -14.185 11.521 -8.616 156 HG SER 20 HG SER 20 -12.043 12.213 -7.069 157 H SER 21 H SER 21 -12.389 8.276 -8.317 158 HA SER 21 HA SER 21 -14.100 7.448 -10.431 159 HB2 SER 21 1HB SER 21 -11.680 7.451 -10.697 160 HB3 SER 21 2HB SER 21 -11.513 6.261 -9.407 161 HG SER 21 HG SER 21 -11.443 5.343 -11.531 162 H LEU 22 H LEU 22 -13.013 5.826 -7.434 163 HA LEU 22 HA LEU 22 -14.534 3.469 -8.110 164 HB2 LEU 22 1HB LEU 22 -12.900 4.208 -5.687 165 HB3 LEU 22 2HB LEU 22 -13.722 2.656 -5.874 166 HG LEU 22 HG LEU 22 -11.636 3.684 -7.794 167 HD11 LEU 22 1HD1 LEU 22 -10.640 3.371 -5.598 168 HD12 LEU 22 2HD1 LEU 22 -10.120 2.091 -6.697 169 HD13 LEU 22 3HD1 LEU 22 -11.362 1.767 -5.485 170 HD21 LEU 22 1HD2 LEU 22 -13.240 2.032 -8.670 171 HD22 LEU 22 2HD2 LEU 22 -12.776 0.929 -7.370 172 HD23 LEU 22 3HD2 LEU 22 -11.592 1.410 -8.586 173 H ASN 23 H ASN 23 -15.597 6.294 -7.215 174 HA ASN 23 HA ASN 23 -17.386 7.164 -6.121 175 HB2 ASN 23 1HB ASN 23 -18.354 4.325 -6.453 176 HB3 ASN 23 2HB ASN 23 -19.359 5.638 -5.870 177 HD21 ASN 23 1HD2 ASN 23 -20.775 5.485 -7.587 178 HD22 ASN 23 2HD2 ASN 23 -20.354 5.998 -9.188 179 H ILE 24 H ILE 24 -15.238 6.390 -4.472 180 HA ILE 24 HA ILE 24 -16.058 4.979 -2.170 181 HB ILE 24 HB ILE 24 -13.938 7.123 -2.321 182 HG12 ILE 24 1HG1 ILE 24 -13.588 5.416 -4.083 183 HG13 ILE 24 2HG1 ILE 24 -12.339 5.349 -2.842 184 HG21 ILE 24 1HG2 ILE 24 -14.280 4.770 -0.468 185 HG22 ILE 24 2HG2 ILE 24 -14.543 6.466 -0.063 186 HG23 ILE 24 3HG2 ILE 24 -12.923 5.899 -0.465 187 HD11 ILE 24 1HD1 ILE 24 -13.040 3.129 -3.544 188 HD12 ILE 24 2HD1 ILE 24 -14.699 3.495 -3.071 189 HD13 ILE 24 3HD1 ILE 24 -13.430 3.411 -1.847 190 HA PRO 25 HA PRO 25 -18.736 8.138 -0.414 191 HB2 PRO 25 1HB PRO 25 -18.552 6.448 1.979 192 HB3 PRO 25 2HB PRO 25 -19.971 6.922 1.043 193 HG2 PRO 25 1HG PRO 25 -18.989 4.416 1.021 194 HG3 PRO 25 2HG PRO 25 -19.792 5.147 -0.379 195 HD2 PRO 25 1HD PRO 25 -16.880 4.704 0.123 196 HD3 PRO 25 2HD PRO 25 -17.797 4.607 -1.399 197 H ALA 26 H ALA 26 -18.405 9.836 0.887 198 HA ALA 26 HA ALA 26 -15.837 10.635 1.607 199 HB1 ALA 26 1HB ALA 26 -16.895 12.469 2.762 200 HB2 ALA 26 2HB ALA 26 -18.425 11.594 2.811 201 HB3 ALA 26 3HB ALA 26 -17.769 12.135 1.268 202 H ASP 27 H ASP 27 -18.275 8.930 3.422 203 HA ASP 27 HA ASP 27 -17.365 9.014 6.006 204 HB2 ASP 27 1HB ASP 27 -19.388 7.860 5.438 205 HB3 ASP 27 2HB ASP 27 -18.515 6.689 4.457 206 H TYR 28 H TYR 28 -16.369 6.617 3.553 207 HA TYR 28 HA TYR 28 -14.390 5.425 5.128 208 HB2 TYR 28 1HB TYR 28 -14.980 5.480 2.198 209 HB3 TYR 28 2HB TYR 28 -13.496 4.721 2.774 210 HD1 TYR 28 HD1 TYR 28 -13.561 2.618 3.936 211 HD2 TYR 28 HD2 TYR 28 -17.174 4.583 2.851 212 HE1 TYR 28 HE1 TYR 28 -14.819 0.576 4.457 213 HE2 TYR 28 HE2 TYR 28 -18.443 2.540 3.358 214 HH TYR 28 HH TYR 28 -18.028 0.100 3.507 215 H VAL 29 H VAL 29 -14.288 8.154 2.916 216 HA VAL 29 HA VAL 29 -11.550 8.418 2.561 217 HB VAL 29 HB VAL 29 -13.598 10.618 2.744 218 HG11 VAL 29 1HG1 VAL 29 -11.356 11.507 2.927 219 HG12 VAL 29 2HG1 VAL 29 -12.014 11.879 1.334 220 HG13 VAL 29 3HG1 VAL 29 -10.844 10.571 1.525 221 HG21 VAL 29 1HG2 VAL 29 -14.212 8.968 1.098 222 HG22 VAL 29 2HG2 VAL 29 -12.588 9.008 0.413 223 HG23 VAL 29 3HG2 VAL 29 -13.634 10.422 0.285 224 H GLU 30 H GLU 30 -13.598 9.745 5.162 225 HA GLU 30 HA GLU 30 -11.535 11.161 6.489 226 HB2 GLU 30 1HB GLU 30 -13.849 9.953 7.968 227 HB3 GLU 30 2HB GLU 30 -13.021 11.482 8.239 228 HG2 GLU 30 1HG GLU 30 -13.950 12.225 6.019 229 HG3 GLU 30 2HG GLU 30 -14.993 10.805 6.095 230 H LYS 31 H LYS 31 -12.661 7.855 6.678 231 HA LYS 31 HA LYS 31 -11.281 7.112 9.027 232 HB2 LYS 31 1HB LYS 31 -12.158 5.370 6.714 233 HB3 LYS 31 2HB LYS 31 -11.658 4.798 8.310 234 HG2 LYS 31 1HG LYS 31 -13.535 6.137 9.279 235 HG3 LYS 31 2HG LYS 31 -14.082 6.446 7.632 236 HD2 LYS 31 1HD LYS 31 -14.262 4.001 7.274 237 HD3 LYS 31 2HD LYS 31 -13.819 3.748 8.974 238 HE2 LYS 31 1HE LYS 31 -15.797 5.114 9.633 239 HE3 LYS 31 2HE LYS 31 -16.257 5.213 7.935 240 HZ1 LYS 31 1HZ LYS 31 -16.039 2.725 9.540 241 HZ2 LYS 31 2HZ LYS 31 -16.446 2.794 7.901 242 HZ3 LYS 31 3HZ LYS 31 -17.474 3.478 9.057 243 H PHE 32 H PHE 32 -10.440 6.789 5.594 244 HA PHE 32 HA PHE 32 -7.987 5.507 5.898 245 HB2 PHE 32 1HB PHE 32 -8.657 7.548 3.776 246 HB3 PHE 32 2HB PHE 32 -7.444 6.281 3.672 247 HD1 PHE 32 HD1 PHE 32 -9.123 4.052 4.859 248 HD2 PHE 32 HD2 PHE 32 -9.953 6.992 1.900 249 HE1 PHE 32 HE1 PHE 32 -10.771 2.550 3.828 250 HE2 PHE 32 HE2 PHE 32 -11.603 5.490 0.869 251 HZ PHE 32 HZ PHE 32 -12.012 3.264 1.831 252 H LYS 33 H LYS 33 -8.811 8.925 5.970 253 HA LYS 33 HA LYS 33 -6.203 9.983 5.953 254 HB2 LYS 33 1HB LYS 33 -8.492 11.178 5.671 255 HB3 LYS 33 2HB LYS 33 -8.482 11.267 7.431 256 HG2 LYS 33 1HG LYS 33 -6.415 12.508 7.409 257 HG3 LYS 33 2HG LYS 33 -6.313 12.355 5.648 258 HD2 LYS 33 1HD LYS 33 -8.407 13.621 5.436 259 HD3 LYS 33 2HD LYS 33 -8.476 13.793 7.190 260 HE2 LYS 33 1HE LYS 33 -6.377 15.031 7.164 261 HE3 LYS 33 2HE LYS 33 -6.266 14.829 5.416 262 HZ1 LYS 33 1HZ LYS 33 -8.304 16.110 5.181 263 HZ2 LYS 33 2HZ LYS 33 -7.123 17.004 5.991 264 HZ3 LYS 33 3HZ LYS 33 -8.398 16.312 6.857 265 H LYS 34 H LYS 34 -8.218 8.725 8.531 266 HA LYS 34 HA LYS 34 -6.328 9.561 10.565 267 HB2 LYS 34 1HB LYS 34 -8.964 8.101 10.679 268 HB3 LYS 34 2HB LYS 34 -7.958 8.336 12.105 269 HG2 LYS 34 1HG LYS 34 -8.132 10.743 11.848 270 HG3 LYS 34 2HG LYS 34 -9.072 10.532 10.371 271 HD2 LYS 34 1HD LYS 34 -10.826 9.403 11.646 272 HD3 LYS 34 2HD LYS 34 -9.880 9.599 13.124 273 HE2 LYS 34 1HE LYS 34 -10.015 12.022 12.898 274 HE3 LYS 34 2HE LYS 34 -10.929 11.841 11.403 275 HZ1 LYS 34 1HZ LYS 34 -12.682 10.748 12.657 276 HZ2 LYS 34 2HZ LYS 34 -12.384 12.292 13.269 277 HZ3 LYS 34 3HZ LYS 34 -11.808 10.933 14.089 278 H TRP 35 H TRP 35 -5.790 7.492 8.417 279 HA TRP 35 HA TRP 35 -4.790 5.499 8.112 280 HB2 TRP 35 1HB TRP 35 -3.840 6.100 10.916 281 HB3 TRP 35 2HB TRP 35 -3.191 4.794 9.913 282 HD1 TRP 35 HD1 TRP 35 -3.088 8.567 10.364 283 HE1 TRP 35 HE1 TRP 35 -1.258 9.558 8.848 284 HE3 TRP 35 HE3 TRP 35 -1.950 4.395 7.627 285 HZ2 TRP 35 HZ2 TRP 35 0.437 8.685 6.775 286 HZ3 TRP 35 HZ3 TRP 35 -0.216 4.563 5.895 287 HH2 TRP 35 HH2 TRP 35 0.958 6.661 5.476 288 H GLU 36 H GLU 36 -7.387 5.146 8.589 289 HA GLU 36 HA GLU 36 -7.425 2.642 10.124 290 HB2 GLU 36 1HB GLU 36 -9.651 4.670 9.863 291 HB3 GLU 36 2HB GLU 36 -9.815 3.091 10.619 292 HG2 GLU 36 1HG GLU 36 -8.169 3.741 12.301 293 HG3 GLU 36 2HG GLU 36 -8.031 5.321 11.539 294 H PHE 37 H PHE 37 -7.491 1.060 8.685 295 HA PHE 37 HA PHE 37 -9.024 1.487 6.200 296 HB2 PHE 37 1HB PHE 37 -6.622 -0.318 6.588 297 HB3 PHE 37 2HB PHE 37 -7.444 0.012 5.068 298 HD1 PHE 37 HD1 PHE 37 -5.260 1.403 7.667 299 HD2 PHE 37 HD2 PHE 37 -7.027 2.040 3.845 300 HE1 PHE 37 HE1 PHE 37 -3.755 3.310 7.292 301 HE2 PHE 37 HE2 PHE 37 -5.530 3.955 3.470 302 HZ PHE 37 HZ PHE 37 -3.890 4.593 5.194 303 HA PRO 38 HA PRO 38 -11.432 -1.863 8.181 304 HB2 PRO 38 1HB PRO 38 -13.244 -1.082 5.978 305 HB3 PRO 38 2HB PRO 38 -13.574 -1.274 7.708 306 HG2 PRO 38 1HG PRO 38 -13.462 1.150 6.631 307 HG3 PRO 38 2HG PRO 38 -12.763 0.832 8.230 308 HD2 PRO 38 1HD PRO 38 -11.366 1.054 5.580 309 HD3 PRO 38 2HD PRO 38 -10.910 1.755 7.162 310 H GLU 39 H GLU 39 -11.797 -3.917 7.582 311 HA GLU 39 HA GLU 39 -10.568 -4.852 5.150 312 HB2 GLU 39 1HB GLU 39 -10.321 -5.992 7.367 313 HB3 GLU 39 2HB GLU 39 -12.018 -6.438 7.272 314 HG2 GLU 39 1HG GLU 39 -11.486 -7.613 5.125 315 HG3 GLU 39 2HG GLU 39 -9.782 -7.318 5.473 316 H ASP 40 H ASP 40 -12.049 -3.854 3.664 317 HA ASP 40 HA ASP 40 -14.303 -5.563 3.056 318 HB2 ASP 40 1HB ASP 40 -16.035 -4.122 3.421 319 HB3 ASP 40 2HB ASP 40 -14.943 -3.491 4.644 320 H ASP 41 H ASP 41 -15.276 -5.026 0.927 321 HA ASP 41 HA ASP 41 -13.351 -4.971 -1.044 322 HB2 ASP 41 1HB ASP 41 -16.246 -4.136 -1.331 323 HB3 ASP 41 2HB ASP 41 -15.169 -4.557 -2.656 324 H THR 42 H THR 42 -15.276 -2.240 0.140 325 HA THR 42 HA THR 42 -14.675 -0.336 -1.782 326 HB THR 42 HB THR 42 -14.915 0.266 1.156 327 HG1 THR 42 HG1 THR 42 -16.677 -0.931 0.933 328 HG21 THR 42 1HG2 THR 42 -14.433 2.177 -0.244 329 HG22 THR 42 2HG2 THR 42 -16.100 2.264 0.322 330 HG23 THR 42 3HG2 THR 42 -15.755 1.748 -1.329 331 H THR 43 H THR 43 -13.103 -0.672 1.384 332 HA THR 43 HA THR 43 -11.022 1.130 0.957 333 HB THR 43 HB THR 43 -10.998 -1.311 2.741 334 HG1 THR 43 HG1 THR 43 -12.750 -0.134 3.411 335 HG21 THR 43 1HG2 THR 43 -9.447 0.063 4.113 336 HG22 THR 43 2HG2 THR 43 -9.439 1.275 2.831 337 HG23 THR 43 3HG2 THR 43 -8.798 -0.336 2.522 338 H MET 44 H MET 44 -11.319 -2.274 0.159 339 HA MET 44 HA MET 44 -8.572 -2.803 -0.194 340 HB2 MET 44 1HB MET 44 -10.992 -4.197 -1.327 341 HB3 MET 44 2HB MET 44 -9.351 -4.816 -1.447 342 HG2 MET 44 1HG MET 44 -9.217 -4.954 0.977 343 HG3 MET 44 2HG MET 44 -10.844 -4.296 1.111 344 HE1 MET 44 1HE MET 44 -9.925 -6.957 2.527 345 HE2 MET 44 2HE MET 44 -11.308 -8.007 2.213 346 HE3 MET 44 3HE MET 44 -11.565 -6.311 2.638 347 H CYS 45 H CYS 45 -11.135 -2.171 -2.600 348 HA CYS 45 HA CYS 45 -9.319 -2.184 -4.786 349 HB2 CYS 45 1HB CYS 45 -12.120 -1.067 -4.571 350 HB3 CYS 45 2HB CYS 45 -11.201 -1.142 -6.067 351 H TYR 46 H TYR 46 -10.403 0.270 -2.563 352 HA TYR 46 HA TYR 46 -9.528 2.537 -3.934 353 HB2 TYR 46 1HB TYR 46 -10.833 2.925 -2.025 354 HB3 TYR 46 2HB TYR 46 -9.836 1.881 -1.014 355 HD1 TYR 46 HD1 TYR 46 -9.623 5.048 -2.991 356 HD2 TYR 46 HD2 TYR 46 -8.305 2.867 0.419 357 HE1 TYR 46 HE1 TYR 46 -8.380 7.019 -2.210 358 HE2 TYR 46 HE2 TYR 46 -7.064 4.837 1.204 359 HH TYR 46 HH TYR 46 -6.169 6.894 0.446 360 H ILE 47 H ILE 47 -7.837 0.468 -1.597 361 HA ILE 47 HA ILE 47 -5.358 1.750 -1.692 362 HB ILE 47 HB ILE 47 -6.029 -1.130 -1.108 363 HG12 ILE 47 1HG1 ILE 47 -6.988 0.447 0.486 364 HG13 ILE 47 2HG1 ILE 47 -5.678 -0.445 1.252 365 HG21 ILE 47 1HG2 ILE 47 -3.409 0.312 -0.729 366 HG22 ILE 47 2HG2 ILE 47 -3.724 -1.040 -1.816 367 HG23 ILE 47 3HG2 ILE 47 -3.788 -1.279 -0.069 368 HD11 ILE 47 1HD1 ILE 47 -5.510 1.820 1.933 369 HD12 ILE 47 2HD1 ILE 47 -5.643 2.399 0.274 370 HD13 ILE 47 3HD1 ILE 47 -4.198 1.528 0.791 371 H LYS 48 H LYS 48 -6.758 -0.756 -3.735 372 HA LYS 48 HA LYS 48 -4.435 -1.473 -5.124 373 HB2 LYS 48 1HB LYS 48 -6.752 -2.601 -5.111 374 HB3 LYS 48 2HB LYS 48 -7.186 -1.455 -6.365 375 HG2 LYS 48 1HG LYS 48 -4.903 -3.418 -6.537 376 HG3 LYS 48 2HG LYS 48 -6.505 -3.679 -7.220 377 HD2 LYS 48 1HD LYS 48 -4.714 -1.372 -7.971 378 HD3 LYS 48 2HD LYS 48 -4.763 -2.899 -8.849 379 HE2 LYS 48 1HE LYS 48 -7.132 -1.085 -8.413 380 HE3 LYS 48 2HE LYS 48 -6.150 -1.121 -9.876 381 HZ1 LYS 48 1HZ LYS 48 -8.092 -2.451 -10.201 382 HZ2 LYS 48 2HZ LYS 48 -7.801 -3.337 -8.795 383 HZ3 LYS 48 3HZ LYS 48 -6.752 -3.489 -10.118 384 H CYS 49 H CYS 49 -7.034 0.788 -6.027 385 HA CYS 49 HA CYS 49 -5.944 1.754 -8.377 386 HB2 CYS 49 1HB CYS 49 -8.185 2.286 -7.877 387 HB3 CYS 49 2HB CYS 49 -7.762 3.065 -6.355 388 H VAL 50 H VAL 50 -5.537 3.057 -5.078 389 HA VAL 50 HA VAL 50 -4.012 5.284 -5.767 390 HB VAL 50 HB VAL 50 -4.108 3.698 -3.204 391 HG11 VAL 50 1HG1 VAL 50 -3.095 5.651 -2.125 392 HG12 VAL 50 2HG1 VAL 50 -2.877 6.409 -3.706 393 HG13 VAL 50 3HG1 VAL 50 -2.006 4.926 -3.309 394 HG21 VAL 50 1HG2 VAL 50 -5.438 6.233 -4.106 395 HG22 VAL 50 2HG2 VAL 50 -5.464 5.634 -2.450 396 HG23 VAL 50 3HG2 VAL 50 -6.208 4.691 -3.741 397 H PHE 51 H PHE 51 -3.054 2.044 -4.757 398 HA PHE 51 HA PHE 51 -0.288 2.536 -4.749 399 HB2 PHE 51 1HB PHE 51 -2.047 0.148 -4.579 400 HB3 PHE 51 2HB PHE 51 -0.357 -0.125 -4.993 401 HD1 PHE 51 HD1 PHE 51 0.229 -1.294 -3.005 402 HD2 PHE 51 HD2 PHE 51 -1.546 2.568 -2.776 403 HE1 PHE 51 HE1 PHE 51 0.787 -1.181 -0.613 404 HE2 PHE 51 HE2 PHE 51 -0.981 2.689 -0.386 405 HZ PHE 51 HZ PHE 51 0.186 0.814 0.699 406 H ASN 52 H ASN 52 -2.541 1.744 -7.245 407 HA ASN 52 HA ASN 52 -0.567 0.779 -9.111 408 HB2 ASN 52 1HB ASN 52 -2.935 0.021 -9.187 409 HB3 ASN 52 2HB ASN 52 -3.422 1.663 -9.628 410 HD21 ASN 52 1HD2 ASN 52 -0.546 -0.037 -10.750 411 HD22 ASN 52 2HD2 ASN 52 -1.019 -0.112 -12.410 412 H LYS 53 H LYS 53 -2.328 3.762 -8.516 413 HA LYS 53 HA LYS 53 -1.380 5.182 -10.775 414 HB2 LYS 53 1HB LYS 53 -2.614 5.964 -8.161 415 HB3 LYS 53 2HB LYS 53 -1.985 7.201 -9.241 416 HG2 LYS 53 1HG LYS 53 -3.541 6.523 -10.964 417 HG3 LYS 53 2HG LYS 53 -4.091 5.169 -9.976 418 HD2 LYS 53 1HD LYS 53 -5.011 6.668 -8.337 419 HD3 LYS 53 2HD LYS 53 -4.326 8.067 -9.169 420 HE2 LYS 53 1HE LYS 53 -6.295 6.201 -10.467 421 HE3 LYS 53 2HE LYS 53 -6.791 7.621 -9.551 422 HZ1 LYS 53 1HZ LYS 53 -6.652 8.085 -11.919 423 HZ2 LYS 53 2HZ LYS 53 -5.023 7.643 -11.936 424 HZ3 LYS 53 3HZ LYS 53 -5.518 9.008 -11.061 425 H MET 54 H MET 54 -0.186 4.662 -7.546 426 HA MET 54 HA MET 54 1.922 6.616 -7.796 427 HB2 MET 54 1HB MET 54 1.065 4.678 -5.671 428 HB3 MET 54 2HB MET 54 2.596 5.546 -5.548 429 HG2 MET 54 1HG MET 54 1.559 7.594 -5.343 430 HG3 MET 54 2HG MET 54 0.067 7.029 -6.083 431 HE1 MET 54 1HE MET 54 1.375 6.085 -1.776 432 HE2 MET 54 2HE MET 54 2.407 6.764 -3.036 433 HE3 MET 54 3HE MET 54 1.942 5.064 -3.098 434 H GLN 55 H GLN 55 1.560 3.880 -9.314 435 HA GLN 55 HA GLN 55 2.867 2.357 -10.311 436 HB2 GLN 55 1HB GLN 55 4.843 4.540 -9.743 437 HB3 GLN 55 2HB GLN 55 5.285 3.100 -10.670 438 HG2 GLN 55 1HG GLN 55 3.648 3.626 -12.335 439 HG3 GLN 55 2HG GLN 55 3.029 4.952 -11.360 440 HE21 GLN 55 1HE2 GLN 55 4.102 4.978 -14.070 441 HE22 GLN 55 2HE2 GLN 55 5.424 6.098 -14.052 442 H LEU 56 H LEU 56 2.318 1.656 -7.763 443 HA LEU 56 HA LEU 56 4.852 0.630 -6.738 444 HB2 LEU 56 1HB LEU 56 2.697 2.129 -5.430 445 HB3 LEU 56 2HB LEU 56 3.259 0.727 -4.506 446 HG LEU 56 HG LEU 56 4.956 3.007 -5.526 447 HD11 LEU 56 1HD1 LEU 56 3.985 2.352 -2.748 448 HD12 LEU 56 2HD1 LEU 56 3.506 3.734 -3.728 449 HD13 LEU 56 3HD1 LEU 56 5.162 3.600 -3.142 450 HD21 LEU 56 1HD2 LEU 56 5.625 0.599 -3.855 451 HD22 LEU 56 2HD2 LEU 56 6.675 2.001 -4.033 452 HD23 LEU 56 3HD2 LEU 56 6.281 1.015 -5.439 453 H PHE 57 H PHE 57 1.687 -0.067 -7.768 454 HA PHE 57 HA PHE 57 2.103 -2.899 -7.211 455 HB2 PHE 57 1HB PHE 57 0.686 -2.222 -5.354 456 HB3 PHE 57 2HB PHE 57 -0.406 -1.380 -6.443 457 HD1 PHE 57 HD1 PHE 57 -2.088 -2.550 -7.669 458 HD2 PHE 57 HD2 PHE 57 0.717 -4.675 -5.273 459 HE1 PHE 57 HE1 PHE 57 -3.468 -4.576 -7.855 460 HE2 PHE 57 HE2 PHE 57 -0.657 -6.704 -5.461 461 HZ PHE 57 HZ PHE 57 -2.752 -6.654 -6.751 462 H ASP 58 H ASP 58 1.355 -4.209 -8.781 463 HA ASP 58 HA ASP 58 -0.157 -2.999 -11.005 464 HB2 ASP 58 1HB ASP 58 2.193 -3.359 -11.641 465 HB3 ASP 58 2HB ASP 58 2.084 -5.040 -11.138 466 H ASP 59 H ASP 59 -1.791 -4.279 -11.887 467 HA ASP 59 HA ASP 59 -3.050 -6.056 -10.073 468 HB2 ASP 59 1HB ASP 59 -3.651 -5.436 -12.962 469 HB3 ASP 59 2HB ASP 59 -4.664 -6.445 -11.952 470 H THR 60 H THR 60 -0.730 -6.583 -12.502 471 HA THR 60 HA THR 60 -1.408 -9.419 -12.745 472 HB THR 60 HB THR 60 0.488 -7.649 -14.279 473 HG1 THR 60 HG1 THR 60 -2.109 -8.578 -14.636 474 HG21 THR 60 1HG2 THR 60 -0.079 -10.581 -14.704 475 HG22 THR 60 2HG2 THR 60 1.425 -9.902 -14.077 476 HG23 THR 60 3HG2 THR 60 0.921 -9.553 -15.730 477 H GLU 61 H GLU 61 1.577 -7.481 -12.358 478 HA GLU 61 HA GLU 61 3.054 -9.737 -11.388 479 HB2 GLU 61 1HB GLU 61 3.976 -6.885 -11.256 480 HB3 GLU 61 2HB GLU 61 4.927 -8.349 -11.446 481 HG2 GLU 61 1HG GLU 61 3.967 -8.668 -13.676 482 HG3 GLU 61 2HG GLU 61 3.089 -7.155 -13.494 483 H GLY 62 H GLY 62 1.068 -7.423 -9.873 484 HA2 GLY 62 1HA GLY 62 0.526 -7.300 -7.611 485 HA3 GLY 62 2HA GLY 62 1.862 -8.403 -7.269 486 HA PRO 63 HA PRO 63 3.223 -4.358 -5.554 487 HB2 PRO 63 1HB PRO 63 4.845 -6.173 -3.895 488 HB3 PRO 63 2HB PRO 63 3.735 -4.888 -3.401 489 HG2 PRO 63 1HG PRO 63 3.156 -7.507 -3.076 490 HG3 PRO 63 2HG PRO 63 1.916 -6.278 -3.387 491 HD2 PRO 63 1HD PRO 63 3.118 -8.287 -5.248 492 HD3 PRO 63 2HD PRO 63 1.445 -7.677 -5.163 493 H LEU 64 H LEU 64 4.795 -3.345 -6.653 494 HA LEU 64 HA LEU 64 6.972 -4.877 -7.828 495 HB2 LEU 64 1HB LEU 64 6.530 -1.883 -7.911 496 HB3 LEU 64 2HB LEU 64 7.730 -2.778 -8.814 497 HG LEU 64 HG LEU 64 6.079 -2.313 -10.377 498 HD11 LEU 64 1HD1 LEU 64 5.507 -5.081 -9.360 499 HD12 LEU 64 2HD1 LEU 64 6.819 -4.613 -10.440 500 HD13 LEU 64 3HD1 LEU 64 5.143 -4.469 -10.974 501 HD21 LEU 64 1HD2 LEU 64 4.015 -3.207 -8.379 502 HD22 LEU 64 2HD2 LEU 64 3.692 -2.721 -10.044 503 HD23 LEU 64 3HD2 LEU 64 4.331 -1.549 -8.891 504 H VAL 65 H VAL 65 8.242 -5.587 -6.288 505 HA VAL 65 HA VAL 65 8.831 -4.522 -3.846 506 HB VAL 65 HB VAL 65 10.563 -6.270 -5.575 507 HG11 VAL 65 1HG1 VAL 65 11.917 -5.208 -3.851 508 HG12 VAL 65 2HG1 VAL 65 11.702 -6.925 -3.508 509 HG13 VAL 65 3HG1 VAL 65 10.769 -5.723 -2.615 510 HG21 VAL 65 1HG2 VAL 65 8.436 -7.267 -5.125 511 HG22 VAL 65 2HG2 VAL 65 8.561 -6.863 -3.415 512 HG23 VAL 65 3HG2 VAL 65 9.647 -8.060 -4.120 513 H ASP 66 H ASP 66 10.673 -4.034 -6.855 514 HA ASP 66 HA ASP 66 12.814 -2.653 -5.677 515 HB2 ASP 66 1HB ASP 66 12.938 -3.579 -7.918 516 HB3 ASP 66 2HB ASP 66 11.726 -2.435 -8.483 517 H ASN 67 H ASN 67 9.945 -1.364 -7.350 518 HA ASN 67 HA ASN 67 10.396 1.344 -6.893 519 HB2 ASN 67 1HB ASN 67 7.794 -0.171 -7.130 520 HB3 ASN 67 2HB ASN 67 7.917 1.579 -7.147 521 HD21 ASN 67 1HD2 ASN 67 6.944 1.544 -9.201 522 HD22 ASN 67 2HD2 ASN 67 7.862 1.147 -10.616 523 H LEU 68 H LEU 68 8.922 -1.126 -4.913 524 HA LEU 68 HA LEU 68 7.806 0.488 -2.919 525 HB2 LEU 68 1HB LEU 68 8.617 -2.379 -3.107 526 HB3 LEU 68 2HB LEU 68 8.163 -1.713 -1.545 527 HG LEU 68 HG LEU 68 6.374 -1.414 -3.935 528 HD11 LEU 68 1HD1 LEU 68 6.361 -3.702 -1.973 529 HD12 LEU 68 2HD1 LEU 68 6.861 -3.804 -3.661 530 HD13 LEU 68 3HD1 LEU 68 5.191 -3.412 -3.261 531 HD21 LEU 68 1HD2 LEU 68 5.956 -0.027 -1.963 532 HD22 LEU 68 2HD2 LEU 68 5.845 -1.482 -0.972 533 HD23 LEU 68 3HD2 LEU 68 4.656 -1.186 -2.242 534 H VAL 69 H VAL 69 11.001 -0.976 -3.206 535 HA VAL 69 HA VAL 69 11.940 -0.058 -0.677 536 HB VAL 69 HB VAL 69 13.514 -0.845 -3.121 537 HG11 VAL 69 1HG1 VAL 69 14.305 -0.602 -0.227 538 HG12 VAL 69 2HG1 VAL 69 14.869 0.402 -1.562 539 HG13 VAL 69 3HG1 VAL 69 15.312 -1.303 -1.493 540 HG21 VAL 69 1HG2 VAL 69 13.666 -3.038 -2.138 541 HG22 VAL 69 2HG2 VAL 69 11.969 -2.594 -2.325 542 HG23 VAL 69 3HG2 VAL 69 12.734 -2.508 -0.738 543 H HIS 70 H HIS 70 12.134 1.190 -3.993 544 HA HIS 70 HA HIS 70 13.839 3.350 -3.470 545 HB2 HIS 70 1HB HIS 70 11.777 2.845 -5.581 546 HB3 HIS 70 2HB HIS 70 12.572 4.410 -5.477 547 HD1 HIS 70 HD1 HIS 70 15.177 4.441 -5.909 548 HD2 HIS 70 HD2 HIS 70 13.293 0.822 -6.701 549 HE1 HIS 70 HE1 HIS 70 16.797 3.128 -7.309 550 HE2 HIS 70 HE2 HIS 70 15.666 0.917 -7.722 551 H GLN 71 H GLN 71 10.431 2.967 -2.868 552 HA GLN 71 HA GLN 71 10.100 5.805 -2.304 553 HB2 GLN 71 1HB GLN 71 8.394 3.968 -3.334 554 HB3 GLN 71 2HB GLN 71 7.924 3.914 -1.644 555 HG2 GLN 71 1HG GLN 71 8.066 6.451 -3.255 556 HG3 GLN 71 2HG GLN 71 6.606 5.482 -3.086 557 HE21 GLN 71 1HE2 GLN 71 8.824 7.633 -1.523 558 HE22 GLN 71 2HE2 GLN 71 7.858 7.950 -0.130 559 H LEU 72 H LEU 72 9.523 2.761 -0.541 560 HA LEU 72 HA LEU 72 8.976 3.966 1.916 561 HB2 LEU 72 1HB LEU 72 9.843 1.169 1.238 562 HB3 LEU 72 2HB LEU 72 9.454 1.665 2.871 563 HG LEU 72 HG LEU 72 7.537 1.824 0.546 564 HD11 LEU 72 1HD1 LEU 72 7.744 -0.220 2.761 565 HD12 LEU 72 2HD1 LEU 72 8.096 -0.497 1.056 566 HD13 LEU 72 3HD1 LEU 72 6.448 -0.125 1.566 567 HD21 LEU 72 1HD2 LEU 72 7.180 2.204 3.516 568 HD22 LEU 72 2HD2 LEU 72 5.854 2.056 2.363 569 HD23 LEU 72 3HD2 LEU 72 6.968 3.418 2.253 570 H ALA 73 H ALA 73 12.037 2.675 0.656 571 HA ALA 73 HA ALA 73 13.456 3.070 3.103 572 HB1 ALA 73 1HB ALA 73 15.429 2.487 1.854 573 HB2 ALA 73 2HB ALA 73 14.568 2.716 0.332 574 HB3 ALA 73 3HB ALA 73 14.106 1.403 1.415 575 H HIS 74 H HIS 74 12.043 5.383 2.227 576 HA HIS 74 HA HIS 74 13.827 7.360 1.210 577 HB2 HIS 74 1HB HIS 74 11.357 7.541 1.041 578 HB3 HIS 74 2HB HIS 74 11.251 7.660 2.794 579 HD1 HIS 74 HD1 HIS 74 11.154 9.953 3.687 580 HD2 HIS 74 HD2 HIS 74 12.825 9.851 -0.119 581 HE1 HIS 74 HE1 HIS 74 11.514 12.354 3.044 582 HE2 HIS 74 HE2 HIS 74 12.374 12.272 0.681 583 H GLY 75 H GLY 75 15.666 6.888 2.591 584 HA2 GLY 75 1HA GLY 75 16.984 8.104 4.163 585 HA3 GLY 75 2HA GLY 75 15.525 8.444 5.079 586 H ARG 76 H ARG 76 16.318 5.248 3.864 587 HA ARG 76 HA ARG 76 17.388 4.374 6.398 588 HB2 ARG 76 1HB ARG 76 14.584 3.881 5.632 589 HB3 ARG 76 2HB ARG 76 15.457 2.479 6.238 590 HG2 ARG 76 1HG ARG 76 16.076 3.804 8.241 591 HG3 ARG 76 2HG ARG 76 15.053 5.112 7.648 592 HD2 ARG 76 1HD ARG 76 13.866 3.791 9.291 593 HD3 ARG 76 2HD ARG 76 13.121 3.612 7.706 594 HE ARG 76 HE ARG 76 15.010 1.550 8.179 595 HH11 ARG 76 1HH1 ARG 76 11.790 2.599 9.056 596 HH12 ARG 76 2HH1 ARG 76 11.227 0.996 9.414 597 HH21 ARG 76 1HH2 ARG 76 14.270 -0.575 8.660 598 HH22 ARG 76 2HH2 ARG 76 12.621 -0.797 9.174 599 H ASP 77 H ASP 77 17.753 1.940 6.369 600 HA ASP 77 HA ASP 77 19.367 1.317 4.143 601 HB2 ASP 77 1HB ASP 77 18.338 -0.564 6.275 602 HB3 ASP 77 2HB ASP 77 19.727 -0.832 5.229 603 H ALA 78 H ALA 78 18.661 0.852 2.238 604 HA ALA 78 HA ALA 78 16.086 0.145 1.500 605 HB1 ALA 78 1HB ALA 78 18.639 -0.366 -0.009 606 HB2 ALA 78 2HB ALA 78 17.750 1.156 0.021 607 HB3 ALA 78 3HB ALA 78 17.016 -0.278 -0.693 608 H GLU 79 H GLU 79 18.875 -1.943 2.139 609 HA GLU 79 HA GLU 79 17.800 -4.321 1.094 610 HB2 GLU 79 1HB GLU 79 19.819 -3.884 3.284 611 HB3 GLU 79 2HB GLU 79 19.416 -5.468 2.637 612 HG2 GLU 79 1HG GLU 79 20.097 -4.630 0.389 613 HG3 GLU 79 2HG GLU 79 20.683 -3.165 1.177 614 H GLU 80 H GLU 80 17.666 -2.963 4.359 615 HA GLU 80 HA GLU 80 16.227 -5.078 5.547 616 HB2 GLU 80 1HB GLU 80 17.374 -3.462 6.915 617 HB3 GLU 80 2HB GLU 80 16.417 -2.151 6.245 618 HG2 GLU 80 1HG GLU 80 14.449 -2.949 7.319 619 HG3 GLU 80 2HG GLU 80 15.265 -4.415 7.837 620 H VAL 81 H VAL 81 15.237 -2.034 4.062 621 HA VAL 81 HA VAL 81 12.490 -2.220 4.426 622 HB VAL 81 HB VAL 81 14.044 -0.943 2.178 623 HG11 VAL 81 1HG1 VAL 81 12.030 0.431 1.823 624 HG12 VAL 81 2HG1 VAL 81 11.158 -0.584 2.976 625 HG13 VAL 81 3HG1 VAL 81 11.751 -1.273 1.464 626 HG21 VAL 81 1HG2 VAL 81 12.955 0.083 4.781 627 HG22 VAL 81 2HG2 VAL 81 13.597 1.107 3.497 628 HG23 VAL 81 3HG2 VAL 81 14.647 -0.056 4.299 629 H ARG 82 H ARG 82 14.447 -3.316 1.636 630 HA ARG 82 HA ARG 82 12.419 -4.426 0.099 631 HB2 ARG 82 1HB ARG 82 14.819 -4.149 -0.576 632 HB3 ARG 82 2HB ARG 82 15.195 -5.566 0.395 633 HG2 ARG 82 1HG ARG 82 13.469 -6.795 -0.976 634 HG3 ARG 82 2HG ARG 82 13.496 -5.408 -2.058 635 HD2 ARG 82 1HD ARG 82 15.901 -5.718 -2.376 636 HD3 ARG 82 2HD ARG 82 15.852 -7.126 -1.316 637 HE ARG 82 HE ARG 82 14.158 -7.120 -3.701 638 HH11 ARG 82 1HH1 ARG 82 16.979 -8.346 -2.034 639 HH12 ARG 82 2HH1 ARG 82 17.149 -9.722 -3.071 640 HH21 ARG 82 1HH2 ARG 82 14.368 -8.942 -5.057 641 HH22 ARG 82 2HH2 ARG 82 15.655 -10.071 -4.779 642 H THR 83 H THR 83 14.306 -5.833 2.716 643 HA THR 83 HA THR 83 13.420 -8.474 2.478 644 HB THR 83 HB THR 83 14.525 -6.886 4.780 645 HG1 THR 83 HG1 THR 83 16.104 -7.312 3.357 646 HG21 THR 83 1HG2 THR 83 13.138 -8.627 5.763 647 HG22 THR 83 2HG2 THR 83 14.845 -9.017 5.978 648 HG23 THR 83 3HG2 THR 83 13.901 -9.842 4.737 649 H GLU 84 H GLU 84 12.321 -5.914 4.702 650 HA GLU 84 HA GLU 84 10.204 -7.274 5.882 651 HB2 GLU 84 1HB GLU 84 10.453 -4.324 5.271 652 HB3 GLU 84 2HB GLU 84 9.275 -5.027 6.366 653 HG2 GLU 84 1HG GLU 84 12.258 -5.155 6.695 654 HG3 GLU 84 2HG GLU 84 11.182 -4.048 7.539 655 H VAL 85 H VAL 85 10.246 -5.330 2.905 656 HA VAL 85 HA VAL 85 7.517 -5.477 2.299 657 HB VAL 85 HB VAL 85 9.946 -5.192 0.536 658 HG11 VAL 85 1HG1 VAL 85 7.043 -5.080 -0.272 659 HG12 VAL 85 2HG1 VAL 85 8.241 -6.258 -0.808 660 HG13 VAL 85 3HG1 VAL 85 8.396 -4.564 -1.281 661 HG21 VAL 85 1HG2 VAL 85 7.799 -3.267 1.409 662 HG22 VAL 85 2HG2 VAL 85 9.125 -2.892 0.307 663 HG23 VAL 85 3HG2 VAL 85 9.467 -3.317 1.985 664 H LEU 86 H LEU 86 10.198 -7.578 1.276 665 HA LEU 86 HA LEU 86 8.812 -9.239 -0.445 666 HB2 LEU 86 1HB LEU 86 11.226 -9.747 1.278 667 HB3 LEU 86 2HB LEU 86 10.610 -10.930 0.128 668 HG LEU 86 HG LEU 86 11.435 -8.148 -0.663 669 HD11 LEU 86 1HD1 LEU 86 13.047 -10.694 -0.745 670 HD12 LEU 86 2HD1 LEU 86 13.339 -9.317 0.316 671 HD13 LEU 86 3HD1 LEU 86 13.529 -9.141 -1.429 672 HD21 LEU 86 1HD2 LEU 86 10.933 -10.683 -2.207 673 HD22 LEU 86 2HD2 LEU 86 11.575 -9.191 -2.895 674 HD23 LEU 86 3HD2 LEU 86 9.944 -9.223 -2.223 675 H LYS 87 H LYS 87 9.007 -9.339 3.052 676 HA LYS 87 HA LYS 87 7.860 -11.973 3.255 677 HB2 LYS 87 1HB LYS 87 8.450 -9.818 5.276 678 HB3 LYS 87 2HB LYS 87 7.656 -11.327 5.713 679 HG2 LYS 87 1HG LYS 87 9.578 -12.593 4.934 680 HG3 LYS 87 2HG LYS 87 10.377 -11.090 4.436 681 HD2 LYS 87 1HD LYS 87 9.554 -11.773 7.260 682 HD3 LYS 87 2HD LYS 87 11.186 -11.937 6.613 683 HE2 LYS 87 1HE LYS 87 11.242 -9.533 6.161 684 HE3 LYS 87 2HE LYS 87 9.614 -9.372 6.813 685 HZ1 LYS 87 1HZ LYS 87 11.971 -10.319 8.343 686 HZ2 LYS 87 2HZ LYS 87 10.416 -10.075 8.956 687 HZ3 LYS 87 3HZ LYS 87 11.328 -8.755 8.413 688 H CYS 88 H CYS 88 6.613 -9.032 2.461 689 HA CYS 88 HA CYS 88 3.938 -9.798 3.399 690 HB2 CYS 88 1HB CYS 88 5.184 -7.127 2.847 691 HB3 CYS 88 2HB CYS 88 3.420 -7.318 2.770 692 H VAL 89 H VAL 89 5.953 -9.730 0.744 693 HA VAL 89 HA VAL 89 3.861 -9.417 -1.243 694 HB VAL 89 HB VAL 89 6.765 -10.188 -1.562 695 HG11 VAL 89 1HG1 VAL 89 4.669 -9.476 -3.602 696 HG12 VAL 89 2HG1 VAL 89 5.456 -11.040 -3.398 697 HG13 VAL 89 3HG1 VAL 89 6.390 -9.649 -3.949 698 HG21 VAL 89 1HG2 VAL 89 7.074 -7.917 -2.400 699 HG22 VAL 89 2HG2 VAL 89 6.500 -7.916 -0.733 700 HG23 VAL 89 3HG2 VAL 89 5.384 -7.557 -2.051 701 H ASP 90 H ASP 90 2.472 -11.096 -1.194 702 HA ASP 90 HA ASP 90 3.636 -13.770 -1.519 703 HB2 ASP 90 1HB ASP 90 2.024 -14.758 -0.128 704 HB3 ASP 90 2HB ASP 90 2.437 -13.267 0.718 705 H LYS 91 H LYS 91 1.658 -15.269 -2.298 706 HA LYS 91 HA LYS 91 1.189 -14.339 -4.977 707 HB2 LYS 91 1HB LYS 91 0.138 -16.879 -3.749 708 HB3 LYS 91 2HB LYS 91 0.464 -16.535 -5.444 709 HG2 LYS 91 1HG LYS 91 2.828 -16.479 -5.023 710 HG3 LYS 91 2HG LYS 91 2.550 -16.738 -3.301 711 HD2 LYS 91 1HD LYS 91 1.649 -18.918 -3.712 712 HD3 LYS 91 2HD LYS 91 1.685 -18.656 -5.456 713 HE2 LYS 91 1HE LYS 91 4.110 -18.722 -3.667 714 HE3 LYS 91 2HE LYS 91 3.539 -20.079 -4.635 715 HZ1 LYS 91 1HZ LYS 91 4.454 -17.451 -5.679 716 HZ2 LYS 91 2HZ LYS 91 3.857 -18.715 -6.626 717 HZ3 LYS 91 3HZ LYS 91 5.302 -18.911 -5.771 718 H ASN 92 H ASN 92 -0.776 -14.231 -6.043 719 HA ASN 92 HA ASN 92 -2.939 -13.077 -4.520 720 HB2 ASN 92 1HB ASN 92 -2.214 -12.242 -6.762 721 HB3 ASN 92 2HB ASN 92 -2.776 -13.750 -7.461 722 HD21 ASN 92 1HD2 ASN 92 -4.043 -12.295 -8.789 723 HD22 ASN 92 2HD2 ASN 92 -5.579 -11.748 -8.208 724 H THR 93 H THR 93 -3.363 -15.004 -3.242 725 HA THR 93 HA THR 93 -4.359 -17.368 -4.572 726 HB THR 93 HB THR 93 -4.675 -18.251 -2.293 727 HG1 THR 93 HG1 THR 93 -3.382 -16.282 -0.952 728 HG21 THR 93 1HG2 THR 93 -2.322 -18.256 -1.635 729 HG22 THR 93 2HG2 THR 93 -2.014 -16.912 -2.732 730 HG23 THR 93 3HG2 THR 93 -2.506 -18.478 -3.372 731 H ASP 94 H ASP 94 -5.681 -14.488 -3.248 732 HA ASP 94 HA ASP 94 -8.339 -15.607 -2.902 733 HB2 ASP 94 1HB ASP 94 -8.971 -13.301 -2.268 734 HB3 ASP 94 2HB ASP 94 -7.585 -13.888 -1.339 735 H ASN 95 H ASN 95 -6.466 -14.253 -5.354 736 HA ASN 95 HA ASN 95 -6.816 -13.935 -7.550 737 HB2 ASN 95 1HB ASN 95 -9.441 -15.267 -6.941 738 HB3 ASN 95 2HB ASN 95 -8.927 -14.831 -8.562 739 HD21 ASN 95 1HD2 ASN 95 -8.388 -16.909 -5.845 740 HD22 ASN 95 2HD2 ASN 95 -7.372 -18.051 -6.665 741 H ASN 96 H ASN 96 -7.636 -11.908 -5.526 742 HA ASN 96 HA ASN 96 -9.202 -10.263 -7.389 743 HB2 ASN 96 1HB ASN 96 -10.807 -10.834 -5.738 744 HB3 ASN 96 2HB ASN 96 -9.658 -10.618 -4.425 745 HD21 ASN 96 1HD2 ASN 96 -11.006 -9.214 -3.345 746 HD22 ASN 96 2HD2 ASN 96 -11.331 -7.603 -3.895 747 H ALA 97 H ALA 97 -7.931 -8.688 -8.025 748 HA ALA 97 HA ALA 97 -5.438 -8.088 -6.970 749 HB1 ALA 97 1HB ALA 97 -7.168 -6.300 -8.665 750 HB2 ALA 97 2HB ALA 97 -6.122 -7.585 -9.265 751 HB3 ALA 97 3HB ALA 97 -5.422 -6.179 -8.463 752 H CYS 98 H CYS 98 -8.564 -6.728 -6.147 753 HA CYS 98 HA CYS 98 -7.595 -4.428 -4.788 754 HB2 CYS 98 1HB CYS 98 -10.166 -5.947 -4.312 755 HB3 CYS 98 2HB CYS 98 -9.799 -4.328 -3.730 756 H HIS 99 H HIS 99 -8.163 -7.761 -3.786 757 HA HIS 99 HA HIS 99 -7.716 -7.091 -0.997 758 HB2 HIS 99 1HB HIS 99 -9.361 -8.855 -1.874 759 HB3 HIS 99 2HB HIS 99 -7.950 -9.866 -2.155 760 HD1 HIS 99 HD1 HIS 99 -10.041 -10.875 -0.252 761 HD2 HIS 99 HD2 HIS 99 -6.839 -8.527 0.990 762 HE1 HIS 99 HE1 HIS 99 -9.756 -11.354 2.199 763 HE2 HIS 99 HE2 HIS 99 -7.683 -10.089 2.865 764 H TRP 100 H TRP 100 -5.999 -8.412 -3.712 765 HA TRP 100 HA TRP 100 -3.794 -9.514 -2.365 766 HB2 TRP 100 1HB TRP 100 -4.341 -9.861 -4.784 767 HB3 TRP 100 2HB TRP 100 -3.789 -8.217 -5.106 768 HD1 TRP 100 HD1 TRP 100 -1.568 -9.784 -2.598 769 HE1 TRP 100 HE1 TRP 100 0.589 -10.641 -3.703 770 HE3 TRP 100 HE3 TRP 100 -2.973 -9.454 -7.506 771 HZ2 TRP 100 HZ2 TRP 100 1.568 -11.118 -6.302 772 HZ3 TRP 100 HZ3 TRP 100 -1.368 -10.134 -9.235 773 HH2 TRP 100 HH2 TRP 100 0.853 -10.955 -8.654 774 H ALA 101 H ALA 101 -4.205 -6.317 -3.884 775 HA ALA 101 HA ALA 101 -1.781 -5.202 -2.995 776 HB1 ALA 101 1HB ALA 101 -2.810 -3.039 -3.516 777 HB2 ALA 101 2HB ALA 101 -4.383 -3.826 -3.655 778 HB3 ALA 101 3HB ALA 101 -3.096 -4.220 -4.793 779 H PHE 102 H PHE 102 -4.973 -5.383 -1.580 780 HA PHE 102 HA PHE 102 -4.505 -3.633 0.573 781 HB2 PHE 102 1HB PHE 102 -6.739 -4.201 -0.205 782 HB3 PHE 102 2HB PHE 102 -6.517 -5.868 0.311 783 HD1 PHE 102 HD1 PHE 102 -6.493 -2.385 1.627 784 HD2 PHE 102 HD2 PHE 102 -7.253 -6.499 2.420 785 HE1 PHE 102 HE1 PHE 102 -7.391 -1.792 3.840 786 HE2 PHE 102 HE2 PHE 102 -8.158 -5.911 4.627 787 HZ PHE 102 HZ PHE 102 -8.225 -3.553 5.343 788 H ARG 103 H ARG 103 -3.961 -7.066 0.098 789 HA ARG 103 HA ARG 103 -3.509 -7.669 2.858 790 HB2 ARG 103 1HB ARG 103 -4.228 -9.371 1.199 791 HB3 ARG 103 2HB ARG 103 -2.662 -9.226 0.418 792 HG2 ARG 103 1HG ARG 103 -1.537 -10.063 2.343 793 HG3 ARG 103 2HG ARG 103 -3.023 -10.032 3.280 794 HD2 ARG 103 1HD ARG 103 -2.411 -12.297 2.503 795 HD3 ARG 103 2HD ARG 103 -3.976 -11.760 1.911 796 HE ARG 103 HE ARG 103 -1.503 -11.946 0.310 797 HH11 ARG 103 1HH1 ARG 103 -4.998 -11.660 0.512 798 HH12 ARG 103 2HH1 ARG 103 -5.248 -11.995 -1.179 799 HH21 ARG 103 1HH2 ARG 103 -1.855 -12.411 -1.906 800 HH22 ARG 103 2HH2 ARG 103 -3.475 -12.415 -2.533 801 H GLY 104 H GLY 104 -1.462 -6.920 0.074 802 HA2 GLY 104 1HA GLY 104 1.035 -7.291 1.354 803 HA3 GLY 104 2HA GLY 104 0.737 -6.247 -0.041 804 H PHE 105 H PHE 105 -1.031 -4.448 0.997 805 HA PHE 105 HA PHE 105 0.680 -2.632 2.294 806 HB2 PHE 105 1HB PHE 105 -0.978 -1.742 0.865 807 HB3 PHE 105 2HB PHE 105 -2.259 -2.633 1.666 808 HD1 PHE 105 HD1 PHE 105 -3.745 -1.148 2.627 809 HD2 PHE 105 HD2 PHE 105 0.433 -0.372 2.904 810 HE1 PHE 105 HE1 PHE 105 -4.209 0.823 4.015 811 HE2 PHE 105 HE2 PHE 105 -0.032 1.608 4.289 812 HZ PHE 105 HZ PHE 105 -2.350 2.205 4.850 813 H LYS 106 H LYS 106 -2.060 -4.560 3.436 814 HA LYS 106 HA LYS 106 -2.124 -3.389 6.003 815 HB2 LYS 106 1HB LYS 106 -4.151 -4.265 5.405 816 HB3 LYS 106 2HB LYS 106 -3.464 -5.743 4.735 817 HG2 LYS 106 1HG LYS 106 -3.083 -6.581 6.977 818 HG3 LYS 106 2HG LYS 106 -3.630 -5.048 7.662 819 HD2 LYS 106 1HD LYS 106 -5.852 -5.407 6.754 820 HD3 LYS 106 2HD LYS 106 -5.316 -6.897 5.977 821 HE2 LYS 106 1HE LYS 106 -5.263 -6.420 8.954 822 HE3 LYS 106 2HE LYS 106 -6.574 -7.239 8.109 823 HZ1 LYS 106 1HZ LYS 106 -3.741 -8.125 8.225 824 HZ2 LYS 106 2HZ LYS 106 -4.962 -8.896 7.349 825 HZ3 LYS 106 3HZ LYS 106 -5.044 -8.833 9.036 826 H CYS 107 H CYS 107 -0.568 -6.244 4.677 827 HA CYS 107 HA CYS 107 0.341 -7.405 7.051 828 HB2 CYS 107 1HB CYS 107 0.482 -8.694 5.074 829 HB3 CYS 107 2HB CYS 107 1.376 -7.448 4.215 830 H PHE 108 H PHE 108 1.705 -4.897 4.988 831 HA PHE 108 HA PHE 108 4.225 -4.832 6.309 832 HB2 PHE 108 1HB PHE 108 3.681 -4.163 3.910 833 HB3 PHE 108 2HB PHE 108 3.092 -2.644 4.587 834 HD1 PHE 108 HD1 PHE 108 6.022 -4.761 4.015 835 HD2 PHE 108 HD2 PHE 108 4.637 -0.989 5.412 836 HE1 PHE 108 HE1 PHE 108 8.319 -3.903 3.969 837 HE2 PHE 108 HE2 PHE 108 6.940 -0.125 5.366 838 HZ PHE 108 HZ PHE 108 8.782 -1.585 4.638 839 H GLN 109 H GLN 109 1.425 -2.629 6.286 840 HA GLN 109 HA GLN 109 2.462 -0.789 8.136 841 HB2 GLN 109 1HB GLN 109 0.183 0.051 8.336 842 HB3 GLN 109 2HB GLN 109 0.600 -0.249 6.656 843 HG2 GLN 109 1HG GLN 109 -1.419 -1.210 6.605 844 HG3 GLN 109 2HG GLN 109 -0.560 -2.593 7.285 845 HE21 GLN 109 1HE2 GLN 109 -2.789 -0.015 7.909 846 HE22 GLN 109 2HE2 GLN 109 -3.335 -0.595 9.445 847 H LYS 110 H LYS 110 1.159 -3.918 8.613 848 HA LYS 110 HA LYS 110 0.155 -3.601 11.241 849 HB2 LYS 110 1HB LYS 110 -0.377 -5.492 9.712 850 HB3 LYS 110 2HB LYS 110 1.257 -6.095 9.938 851 HG2 LYS 110 1HG LYS 110 0.741 -6.207 12.394 852 HG3 LYS 110 2HG LYS 110 -0.935 -5.872 11.972 853 HD2 LYS 110 1HD LYS 110 -0.906 -7.855 10.480 854 HD3 LYS 110 2HD LYS 110 0.712 -8.229 11.075 855 HE2 LYS 110 1HE LYS 110 -0.943 -9.551 12.252 856 HE3 LYS 110 2HE LYS 110 -0.186 -8.406 13.356 857 HZ1 LYS 110 1HZ LYS 110 -2.101 -7.000 13.217 858 HZ2 LYS 110 2HZ LYS 110 -2.612 -8.561 13.614 859 HZ3 LYS 110 3HZ LYS 110 -2.810 -7.982 12.038 860 H ASN 111 H ASN 111 3.331 -4.092 9.910 861 HA ASN 111 HA ASN 111 4.403 -4.400 12.639 862 HB2 ASN 111 1HB ASN 111 5.628 -5.374 10.053 863 HB3 ASN 111 2HB ASN 111 6.310 -5.569 11.664 864 HD21 ASN 111 1HD2 ASN 111 3.927 -6.674 9.409 865 HD22 ASN 111 2HD2 ASN 111 3.437 -8.068 10.300 866 H ASN 112 H ASN 112 4.546 -2.637 9.648 867 HA ASN 112 HA ASN 112 6.658 -0.926 10.757 868 HB2 ASN 112 1HB ASN 112 6.637 -2.215 8.024 869 HB3 ASN 112 2HB ASN 112 7.674 -0.847 8.450 870 HD21 ASN 112 1HD2 ASN 112 8.045 -3.828 7.800 871 HD22 ASN 112 2HD2 ASN 112 9.168 -4.350 9.013 872 H LEU 113 H LEU 113 4.533 0.264 11.129 873 HA LEU 113 HA LEU 113 3.397 1.504 8.773 874 HB2 LEU 113 1HB LEU 113 1.871 0.941 10.524 875 HB3 LEU 113 2HB LEU 113 2.808 1.829 11.709 876 HG LEU 113 HG LEU 113 2.234 3.930 10.476 877 HD11 LEU 113 1HD1 LEU 113 1.803 2.924 8.297 878 HD12 LEU 113 2HD1 LEU 113 0.415 3.858 8.856 879 HD13 LEU 113 3HD1 LEU 113 0.391 2.097 8.953 880 HD21 LEU 113 1HD2 LEU 113 0.991 3.244 12.456 881 HD22 LEU 113 2HD2 LEU 113 -0.079 2.263 11.456 882 HD23 LEU 113 3HD2 LEU 113 -0.079 4.019 11.285 883 H SER 114 H SER 114 5.625 2.299 11.337 884 HA SER 114 HA SER 114 5.633 5.098 11.059 885 HB2 SER 114 1HB SER 114 7.989 3.388 11.874 886 HB3 SER 114 2HB SER 114 7.664 5.060 12.332 887 HG SER 114 HG SER 114 5.634 4.111 13.262 888 H LEU 115 H LEU 115 7.375 2.555 9.365 889 HA LEU 115 HA LEU 115 9.122 4.227 7.911 890 HB2 LEU 115 1HB LEU 115 9.447 1.808 8.150 891 HB3 LEU 115 2HB LEU 115 8.009 1.521 7.191 892 HG LEU 115 HG LEU 115 9.100 2.533 5.237 893 HD11 LEU 115 1HD1 LEU 115 11.512 3.025 5.348 894 HD12 LEU 115 2HD1 LEU 115 11.448 2.787 7.094 895 HD13 LEU 115 3HD1 LEU 115 10.548 4.107 6.353 896 HD21 LEU 115 1HD2 LEU 115 10.642 0.752 4.788 897 HD22 LEU 115 2HD2 LEU 115 9.297 0.105 5.728 898 HD23 LEU 115 3HD2 LEU 115 10.844 0.430 6.510 899 H ILE 116 H ILE 116 5.837 3.130 7.382 900 HA ILE 116 HA ILE 116 5.585 3.990 4.702 901 HB ILE 116 HB ILE 116 3.437 3.637 6.809 902 HG12 ILE 116 1HG1 ILE 116 4.476 1.745 4.682 903 HG13 ILE 116 2HG1 ILE 116 4.706 1.584 6.429 904 HG21 ILE 116 1HG2 ILE 116 3.217 3.829 3.807 905 HG22 ILE 116 2HG2 ILE 116 2.632 5.011 4.979 906 HG23 ILE 116 3HG2 ILE 116 1.899 3.408 4.898 907 HD11 ILE 116 1HD1 ILE 116 2.221 1.422 6.639 908 HD12 ILE 116 2HD1 ILE 116 2.987 0.088 5.777 909 HD13 ILE 116 3HD1 ILE 116 2.146 1.348 4.878 910 H LYS 117 H LYS 117 4.952 5.503 7.813 911 HA LYS 117 HA LYS 117 3.845 7.906 6.861 912 HB2 LYS 117 1HB LYS 117 5.308 7.219 9.400 913 HB3 LYS 117 2HB LYS 117 4.628 8.813 9.100 914 HG2 LYS 117 1HG LYS 117 2.406 7.852 8.909 915 HG3 LYS 117 2HG LYS 117 3.061 6.233 9.135 916 HD2 LYS 117 1HD LYS 117 3.743 6.760 11.377 917 HD3 LYS 117 2HD LYS 117 3.323 8.457 11.158 918 HE2 LYS 117 1HE LYS 117 1.323 6.215 10.967 919 HE3 LYS 117 2HE LYS 117 1.663 7.084 12.463 920 HZ1 LYS 117 1HZ LYS 117 0.711 8.348 9.951 921 HZ2 LYS 117 2HZ LYS 117 0.960 9.122 11.431 922 HZ3 LYS 117 3HZ LYS 117 -0.269 7.969 11.278 923 H ALA 118 H ALA 118 7.169 7.019 7.736 924 HA ALA 118 HA ALA 118 8.333 9.536 7.160 925 HB1 ALA 118 1HB ALA 118 9.592 6.806 7.203 926 HB2 ALA 118 2HB ALA 118 9.372 7.862 8.597 927 HB3 ALA 118 3HB ALA 118 10.447 8.346 7.286 928 H SER 119 H SER 119 7.565 6.764 5.220 929 HA SER 119 HA SER 119 9.170 7.193 2.995 930 HB2 SER 119 1HB SER 119 7.797 5.155 3.484 931 HB3 SER 119 2HB SER 119 6.365 6.058 3.001 932 HG SER 119 HG SER 119 6.943 5.923 0.958 933 H ILE 120 H ILE 120 5.924 8.453 3.726 934 HA ILE 120 HA ILE 120 5.975 10.031 1.264 935 HB ILE 120 HB ILE 120 3.647 10.620 1.801 936 HG12 ILE 120 1HG1 ILE 120 3.876 8.702 4.121 937 HG13 ILE 120 2HG1 ILE 120 3.972 10.454 4.301 938 HG21 ILE 120 1HG2 ILE 120 4.242 7.673 1.907 939 HG22 ILE 120 2HG2 ILE 120 4.078 8.658 0.453 940 HG23 ILE 120 3HG2 ILE 120 2.683 8.382 1.496 941 HD11 ILE 120 1HD1 ILE 120 1.718 10.630 3.302 942 HD12 ILE 120 2HD1 ILE 120 1.753 9.725 4.818 943 HD13 ILE 120 3HD1 ILE 120 1.631 8.868 3.282 944 H LYS 121 H LYS 121 7.091 10.385 4.307 945 HA LYS 121 HA LYS 121 6.271 13.142 4.723 946 HB2 LYS 121 1HB LYS 121 6.413 11.542 6.611 947 HB3 LYS 121 2HB LYS 121 8.138 11.391 6.323 948 HG2 LYS 121 1HG LYS 121 8.368 13.826 6.769 949 HG3 LYS 121 2HG LYS 121 6.660 13.852 7.214 950 HD2 LYS 121 1HD LYS 121 7.060 12.258 8.989 951 HD3 LYS 121 2HD LYS 121 8.751 12.112 8.510 952 HE2 LYS 121 1HE LYS 121 9.012 14.551 8.983 953 HE3 LYS 121 2HE LYS 121 7.374 14.542 9.634 954 HZ1 LYS 121 1HZ LYS 121 9.698 13.008 10.656 955 HZ2 LYS 121 2HZ LYS 121 8.118 12.838 11.235 956 HZ3 LYS 121 3HZ LYS 121 8.930 14.309 11.416 957 H LYS 122 H LYS 122 7.369 14.756 3.843 958 HA LYS 122 HA LYS 122 10.074 14.322 2.863 959 HB2 LYS 122 1HB LYS 122 9.039 17.043 2.663 960 HB3 LYS 122 2HB LYS 122 9.697 16.003 1.428 961 HG2 LYS 122 1HG LYS 122 7.517 14.815 1.323 962 HG3 LYS 122 2HG LYS 122 6.865 16.019 2.433 963 HD2 LYS 122 1HD LYS 122 8.079 16.615 -0.263 964 HD3 LYS 122 2HD LYS 122 6.351 16.520 0.074 965 HE2 LYS 122 1HE LYS 122 6.607 18.361 1.698 966 HE3 LYS 122 2HE LYS 122 8.309 18.478 1.260 967 HZ1 LYS 122 1HZ LYS 122 6.046 18.848 -0.626 968 HZ2 LYS 122 2HZ LYS 122 7.689 19.049 -0.979 969 HZ3 LYS 122 3HZ LYS 122 6.921 20.103 0.095 970 H ASP 123 H ASP 123 11.250 14.121 4.698 971 HA ASP 123 HA ASP 123 11.150 16.126 6.769 972 HB2 ASP 123 1HB ASP 123 11.585 13.806 7.385 973 HB3 ASP 123 2HB ASP 123 13.030 13.789 6.378 974 H21 ACD 201 H21 ACD 1 -4.826 4.958 1.457 975 H22 ACD 201 H22 ACD 1 -3.801 5.008 2.898 976 H31 ACD 201 H31 ACD 1 -2.214 6.518 1.690 977 H32 ACD 201 H32 ACD 1 -3.218 6.402 0.246 978 H41 ACD 201 H41 ACD 1 -2.866 3.884 0.292 979 H42 ACD 201 H42 ACD 1 -1.396 4.821 -0.008 980 H5 ACD 201 H5 ACD 1 -2.058 3.264 2.551 981 H6 ACD 201 H6 ACD 1 0.224 3.782 3.069 982 H71 ACD 201 H71 ACD 1 0.720 4.841 0.417 983 H72 ACD 201 H72 ACD 1 -0.156 6.133 1.237 984 H8 ACD 201 H8 ACD 1 1.702 6.366 2.925 985 H9 ACD 201 H9 ACD 1 3.816 5.531 2.191 986 H101 ACD 201 H101 ACD 1 2.707 4.857 -0.409 987 H102 ACD 201 H102 ACD 1 2.289 3.491 0.624 988 H11 ACD 201 H11 ACD 1 5.234 4.440 0.430 989 H12 ACD 201 H12 ACD 1 5.581 2.115 0.070 990 H131 ACD 201 H131 ACD 1 2.595 2.092 -0.527 991 H132 ACD 201 H132 ACD 1 3.702 0.722 -0.630 992 H14 ACD 201 H14 ACD 1 2.627 1.810 2.074 993 H15 ACD 201 H15 ACD 1 2.550 -0.529 2.545 994 H161 ACD 201 H161 ACD 1 2.712 -1.201 -0.280 995 H162 ACD 201 H162 ACD 1 4.377 -0.845 0.194 996 H171 ACD 201 H171 ACD 1 4.351 -2.551 1.902 997 H172 ACD 201 H172 ACD 1 2.609 -2.785 1.729 998 H181 ACD 201 H181 ACD 1 4.659 -3.340 -0.457 999 H182 ACD 201 H182 ACD 1 2.925 -3.643 -0.563 1000 H191 ACD 201 H191 ACD 1 4.884 -4.969 1.363 1001 H192 ACD 201 H192 ACD 1 3.136 -5.208 1.419 1002 H201 ACD 201 H201 ACD 1 4.222 -7.007 0.157 1003 H202 ACD 201 H202 ACD 1 4.930 -5.858 -0.928 1004 H203 ACD 201 H203 ACD 1 3.214 -6.077 -0.900 Start of MODEL 30 1 H1 MET 1 1H MET 1 21.196 13.050 -11.623 2 H2 MET 1 2H MET 1 20.722 12.587 -10.067 3 H3 MET 1 3H MET 1 20.644 14.211 -10.523 4 HA MET 1 HA MET 1 18.942 13.730 -12.134 5 HB2 MET 1 1HB MET 1 19.615 11.452 -12.698 6 HB3 MET 1 2HB MET 1 19.207 10.906 -11.077 7 HG2 MET 1 1HG MET 1 16.853 11.513 -11.504 8 HG3 MET 1 2HG MET 1 17.295 11.945 -13.154 9 HE1 MET 1 1HE MET 1 14.971 9.885 -12.416 10 HE2 MET 1 2HE MET 1 15.265 8.633 -13.623 11 HE3 MET 1 3HE MET 1 15.404 10.333 -14.066 12 H GLU 2 H GLU 2 17.240 14.719 -11.275 13 HA GLU 2 HA GLU 2 16.596 14.276 -8.474 14 HB2 GLU 2 1HB GLU 2 15.575 16.278 -10.476 15 HB3 GLU 2 2HB GLU 2 14.910 16.103 -8.864 16 HG2 GLU 2 1HG GLU 2 16.418 17.932 -8.843 17 HG3 GLU 2 2HG GLU 2 17.169 16.614 -7.949 18 H PHE 3 H PHE 3 15.368 12.643 -8.031 19 HA PHE 3 HA PHE 3 13.286 11.793 -9.899 20 HB2 PHE 3 1HB PHE 3 14.794 10.063 -9.086 21 HB3 PHE 3 2HB PHE 3 14.401 10.470 -7.414 22 HD1 PHE 3 HD1 PHE 3 12.329 9.770 -6.429 23 HD2 PHE 3 HD2 PHE 3 13.236 8.847 -10.475 24 HE1 PHE 3 HE1 PHE 3 10.503 8.125 -6.449 25 HE2 PHE 3 HE2 PHE 3 11.407 7.198 -10.512 26 HZ PHE 3 HZ PHE 3 10.037 6.834 -8.498 27 H THR 4 H THR 4 11.159 11.906 -9.430 28 HA THR 4 HA THR 4 10.442 13.522 -7.091 29 HB THR 4 HB THR 4 8.285 12.922 -8.961 30 HG1 THR 4 HG1 THR 4 9.596 13.072 -10.669 31 HG21 THR 4 1HG2 THR 4 8.196 14.674 -7.270 32 HG22 THR 4 2HG2 THR 4 8.029 15.351 -8.888 33 HG23 THR 4 3HG2 THR 4 9.563 15.489 -8.028 34 H VAL 5 H VAL 5 9.964 12.377 -5.370 35 HA VAL 5 HA VAL 5 8.600 9.794 -5.623 36 HB VAL 5 HB VAL 5 9.269 9.276 -3.492 37 HG11 VAL 5 1HG1 VAL 5 11.257 9.572 -4.752 38 HG12 VAL 5 2HG1 VAL 5 11.544 10.062 -3.083 39 HG13 VAL 5 3HG1 VAL 5 11.324 11.284 -4.336 40 HG21 VAL 5 1HG2 VAL 5 9.774 10.900 -1.704 41 HG22 VAL 5 2HG2 VAL 5 8.127 11.053 -2.313 42 HG23 VAL 5 3HG2 VAL 5 9.361 12.213 -2.807 43 H SER 6 H SER 6 6.640 9.353 -4.724 44 HA SER 6 HA SER 6 4.740 11.474 -4.738 45 HB2 SER 6 1HB SER 6 4.299 8.663 -3.712 46 HB3 SER 6 2HB SER 6 3.103 9.764 -4.398 47 HG SER 6 HG SER 6 5.071 8.227 -5.676 48 H THR 7 H THR 7 5.102 12.930 -3.088 49 HA THR 7 HA THR 7 5.582 12.046 -0.386 50 HB THR 7 HB THR 7 5.463 14.455 0.192 51 HG1 THR 7 HG1 THR 7 4.805 14.672 -2.580 52 HG21 THR 7 1HG2 THR 7 7.587 13.472 -0.490 53 HG22 THR 7 2HG2 THR 7 7.460 15.137 -1.060 54 HG23 THR 7 3HG2 THR 7 7.207 13.799 -2.181 55 H THR 8 H THR 8 4.201 13.338 1.350 56 HA THR 8 HA THR 8 1.686 12.212 1.512 57 HB THR 8 HB THR 8 2.406 14.842 2.793 58 HG1 THR 8 HG1 THR 8 3.244 13.269 4.484 59 HG21 THR 8 1HG2 THR 8 1.098 13.913 4.669 60 HG22 THR 8 2HG2 THR 8 0.749 12.486 3.692 61 HG23 THR 8 3HG2 THR 8 0.143 14.066 3.194 62 H GLU 9 H GLU 9 2.644 15.371 0.302 63 HA GLU 9 HA GLU 9 0.079 16.439 -0.060 64 HB2 GLU 9 1HB GLU 9 2.663 17.082 -1.478 65 HB3 GLU 9 2HB GLU 9 1.210 18.071 -1.520 66 HG2 GLU 9 1HG GLU 9 1.363 18.543 0.799 67 HG3 GLU 9 2HG GLU 9 2.644 17.354 1.016 68 H ASP 10 H ASP 10 2.244 14.710 -2.281 69 HA ASP 10 HA ASP 10 0.536 14.847 -4.537 70 HB2 ASP 10 1HB ASP 10 2.579 12.688 -3.965 71 HB3 ASP 10 2HB ASP 10 1.921 13.148 -5.533 72 H LEU 11 H LEU 11 0.942 12.552 -1.921 73 HA LEU 11 HA LEU 11 -0.665 10.493 -2.860 74 HB2 LEU 11 1HB LEU 11 0.769 10.177 -0.964 75 HB3 LEU 11 2HB LEU 11 -0.115 11.385 -0.027 76 HG LEU 11 HG LEU 11 -2.100 9.878 -0.115 77 HD11 LEU 11 1HD1 LEU 11 -1.466 8.660 -2.140 78 HD12 LEU 11 2HD1 LEU 11 -1.815 7.579 -0.792 79 HD13 LEU 11 3HD1 LEU 11 -0.141 7.901 -1.255 80 HD21 LEU 11 1HD2 LEU 11 -1.327 8.396 1.599 81 HD22 LEU 11 2HD2 LEU 11 -0.485 9.935 1.788 82 HD23 LEU 11 3HD2 LEU 11 0.342 8.558 1.057 83 H GLN 12 H GLN 12 -1.496 13.473 -1.200 84 HA GLN 12 HA GLN 12 -4.132 12.821 -0.480 85 HB2 GLN 12 1HB GLN 12 -2.791 15.464 -0.977 86 HB3 GLN 12 2HB GLN 12 -4.457 15.329 -0.429 87 HG2 GLN 12 1HG GLN 12 -2.041 14.272 1.024 88 HG3 GLN 12 2HG GLN 12 -2.924 15.743 1.427 89 HE21 GLN 12 1HE2 GLN 12 -2.438 13.355 3.030 90 HE22 GLN 12 2HE2 GLN 12 -3.993 12.756 3.481 91 H ARG 13 H ARG 13 -2.755 13.830 -3.489 92 HA ARG 13 HA ARG 13 -5.253 14.609 -4.663 93 HB2 ARG 13 1HB ARG 13 -3.209 15.620 -5.457 94 HB3 ARG 13 2HB ARG 13 -2.552 14.048 -5.888 95 HG2 ARG 13 1HG ARG 13 -3.814 13.873 -7.776 96 HG3 ARG 13 2HG ARG 13 -5.122 14.876 -7.125 97 HD2 ARG 13 1HD ARG 13 -2.409 15.882 -7.966 98 HD3 ARG 13 2HD ARG 13 -3.873 15.977 -8.945 99 HE ARG 13 HE ARG 13 -4.602 17.196 -6.644 100 HH11 ARG 13 1HH1 ARG 13 -1.892 17.619 -8.808 101 HH12 ARG 13 2HH1 ARG 13 -1.737 19.317 -8.494 102 HH21 ARG 13 1HH2 ARG 13 -4.409 19.436 -6.220 103 HH22 ARG 13 2HH2 ARG 13 -3.161 20.349 -7.007 104 H TYR 14 H TYR 14 -3.193 11.724 -4.739 105 HA TYR 14 HA TYR 14 -4.732 10.367 -6.702 106 HB2 TYR 14 1HB TYR 14 -2.853 9.223 -4.625 107 HB3 TYR 14 2HB TYR 14 -3.525 8.338 -5.991 108 HD1 TYR 14 HD1 TYR 14 -3.275 10.009 -8.255 109 HD2 TYR 14 HD2 TYR 14 -0.583 9.610 -4.983 110 HE1 TYR 14 HE1 TYR 14 -1.429 10.747 -9.696 111 HE2 TYR 14 HE2 TYR 14 1.270 10.359 -6.416 112 HH TYR 14 HH TYR 14 1.840 10.454 -8.801 113 H ARG 15 H ARG 15 -5.025 10.663 -3.235 114 HA ARG 15 HA ARG 15 -6.757 8.515 -2.754 115 HB2 ARG 15 1HB ARG 15 -7.210 11.131 -1.355 116 HB3 ARG 15 2HB ARG 15 -7.351 9.502 -0.731 117 HG2 ARG 15 1HG ARG 15 -4.927 9.249 -0.766 118 HG3 ARG 15 2HG ARG 15 -4.768 10.894 -1.389 119 HD2 ARG 15 1HD ARG 15 -4.456 11.281 0.855 120 HD3 ARG 15 2HD ARG 15 -6.207 11.476 0.751 121 HE ARG 15 HE ARG 15 -5.492 8.781 1.319 122 HH11 ARG 15 1HH1 ARG 15 -5.937 11.940 2.772 123 HH12 ARG 15 2HH1 ARG 15 -6.028 11.315 4.387 124 HH21 ARG 15 1HH2 ARG 15 -5.603 7.960 3.415 125 HH22 ARG 15 2HH2 ARG 15 -5.849 9.046 4.760 126 H THR 16 H THR 16 -7.532 11.891 -3.507 127 HA THR 16 HA THR 16 -10.286 11.666 -3.659 128 HB THR 16 HB THR 16 -8.336 13.508 -5.016 129 HG1 THR 16 HG1 THR 16 -8.935 14.891 -3.411 130 HG21 THR 16 1HG2 THR 16 -10.327 13.341 -6.447 131 HG22 THR 16 2HG2 THR 16 -10.205 14.926 -5.682 132 HG23 THR 16 3HG2 THR 16 -11.349 13.734 -5.063 133 H GLU 17 H GLU 17 -7.873 11.392 -6.248 134 HA GLU 17 HA GLU 17 -9.618 11.070 -8.369 135 HB2 GLU 17 1HB GLU 17 -6.776 10.518 -7.867 136 HB3 GLU 17 2HB GLU 17 -7.478 9.594 -9.180 137 HG2 GLU 17 1HG GLU 17 -7.521 12.596 -8.904 138 HG3 GLU 17 2HG GLU 17 -6.454 11.671 -9.965 139 H CYS 18 H CYS 18 -8.144 8.572 -6.314 140 HA CYS 18 HA CYS 18 -9.427 6.410 -7.651 141 HB2 CYS 18 1HB CYS 18 -8.071 6.592 -4.961 142 HB3 CYS 18 2HB CYS 18 -8.730 5.092 -5.634 143 H VAL 19 H VAL 19 -10.249 8.443 -4.931 144 HA VAL 19 HA VAL 19 -12.389 6.926 -3.943 145 HB VAL 19 HB VAL 19 -11.607 9.801 -3.703 146 HG11 VAL 19 1HG1 VAL 19 -14.189 8.667 -2.640 147 HG12 VAL 19 2HG1 VAL 19 -14.044 9.842 -3.951 148 HG13 VAL 19 3HG1 VAL 19 -13.539 10.276 -2.316 149 HG21 VAL 19 1HG2 VAL 19 -10.503 8.210 -2.276 150 HG22 VAL 19 2HG2 VAL 19 -12.051 7.550 -1.749 151 HG23 VAL 19 3HG2 VAL 19 -11.593 9.194 -1.301 152 H SER 20 H SER 20 -12.326 9.679 -6.161 153 HA SER 20 HA SER 20 -15.083 9.681 -6.704 154 HB2 SER 20 1HB SER 20 -13.522 11.575 -7.117 155 HB3 SER 20 2HB SER 20 -12.839 10.679 -8.472 156 HG SER 20 HG SER 20 -15.598 10.948 -8.478 157 H SER 21 H SER 21 -12.398 7.952 -8.231 158 HA SER 21 HA SER 21 -13.908 7.149 -10.520 159 HB2 SER 21 1HB SER 21 -11.327 6.076 -9.364 160 HB3 SER 21 2HB SER 21 -11.986 5.632 -10.937 161 HG SER 21 HG SER 21 -10.999 8.142 -10.071 162 H LEU 22 H LEU 22 -12.971 5.537 -7.476 163 HA LEU 22 HA LEU 22 -14.369 3.131 -8.280 164 HB2 LEU 22 1HB LEU 22 -12.858 3.869 -5.779 165 HB3 LEU 22 2HB LEU 22 -13.609 2.293 -6.043 166 HG LEU 22 HG LEU 22 -11.498 3.454 -7.853 167 HD11 LEU 22 1HD1 LEU 22 -10.541 3.148 -5.658 168 HD12 LEU 22 2HD1 LEU 22 -9.970 1.870 -6.731 169 HD13 LEU 22 3HD1 LEU 22 -11.236 1.531 -5.549 170 HD21 LEU 22 1HD2 LEU 22 -12.978 1.765 -8.835 171 HD22 LEU 22 2HD2 LEU 22 -12.556 0.654 -7.528 172 HD23 LEU 22 3HD2 LEU 22 -11.321 1.188 -8.672 173 H ASN 23 H ASN 23 -15.517 5.934 -7.312 174 HA ASN 23 HA ASN 23 -17.388 6.712 -6.281 175 HB2 ASN 23 1HB ASN 23 -18.239 3.846 -6.676 176 HB3 ASN 23 2HB ASN 23 -19.311 5.127 -6.148 177 HD21 ASN 23 1HD2 ASN 23 -19.408 3.473 -8.541 178 HD22 ASN 23 2HD2 ASN 23 -19.400 4.577 -9.879 179 H ILE 24 H ILE 24 -15.242 5.882 -4.585 180 HA ILE 24 HA ILE 24 -16.101 4.414 -2.344 181 HB ILE 24 HB ILE 24 -14.029 6.609 -2.369 182 HG12 ILE 24 1HG1 ILE 24 -13.597 4.970 -4.178 183 HG13 ILE 24 2HG1 ILE 24 -12.377 4.893 -2.911 184 HG21 ILE 24 1HG2 ILE 24 -13.024 5.309 -0.533 185 HG22 ILE 24 2HG2 ILE 24 -14.391 4.196 -0.598 186 HG23 ILE 24 3HG2 ILE 24 -14.646 5.881 -0.147 187 HD11 ILE 24 1HD1 ILE 24 -13.010 2.680 -3.703 188 HD12 ILE 24 2HD1 ILE 24 -14.686 2.991 -3.251 189 HD13 ILE 24 3HD1 ILE 24 -13.440 2.896 -2.005 190 HA PRO 25 HA PRO 25 -18.969 7.404 -0.620 191 HB2 PRO 25 1HB PRO 25 -18.709 5.714 1.772 192 HB3 PRO 25 2HB PRO 25 -20.146 6.132 0.837 193 HG2 PRO 25 1HG PRO 25 -19.060 3.678 0.778 194 HG3 PRO 25 2HG PRO 25 -19.868 4.402 -0.623 195 HD2 PRO 25 1HD PRO 25 -16.950 4.064 -0.082 196 HD3 PRO 25 2HD PRO 25 -17.839 3.968 -1.622 197 H ALA 26 H ALA 26 -18.789 9.120 0.666 198 HA ALA 26 HA ALA 26 -16.324 10.123 1.437 199 HB1 ALA 26 1HB ALA 26 -19.037 10.856 2.518 200 HB2 ALA 26 2HB ALA 26 -18.316 11.478 1.033 201 HB3 ALA 26 3HB ALA 26 -17.584 11.852 2.592 202 H ASP 27 H ASP 27 -18.600 8.182 3.244 203 HA ASP 27 HA ASP 27 -17.781 8.493 5.849 204 HB2 ASP 27 1HB ASP 27 -19.644 7.079 5.277 205 HB3 ASP 27 2HB ASP 27 -18.589 5.953 4.428 206 H TYR 28 H TYR 28 -16.458 6.120 3.530 207 HA TYR 28 HA TYR 28 -14.412 5.194 5.178 208 HB2 TYR 28 1HB TYR 28 -14.833 5.197 2.208 209 HB3 TYR 28 2HB TYR 28 -13.346 4.545 2.898 210 HD1 TYR 28 HD1 TYR 28 -13.353 2.425 4.041 211 HD2 TYR 28 HD2 TYR 28 -17.003 4.145 2.697 212 HE1 TYR 28 HE1 TYR 28 -14.503 0.292 4.452 213 HE2 TYR 28 HE2 TYR 28 -18.162 2.016 3.100 214 HH TYR 28 HH TYR 28 -17.645 -0.358 3.297 215 H VAL 29 H VAL 29 -14.539 7.910 2.959 216 HA VAL 29 HA VAL 29 -11.826 8.510 2.748 217 HB VAL 29 HB VAL 29 -14.146 10.425 2.719 218 HG11 VAL 29 1HG1 VAL 29 -11.330 10.687 1.684 219 HG12 VAL 29 2HG1 VAL 29 -12.067 11.616 2.990 220 HG13 VAL 29 3HG1 VAL 29 -12.638 11.819 1.334 221 HG21 VAL 29 1HG2 VAL 29 -12.803 8.880 0.515 222 HG22 VAL 29 2HG2 VAL 29 -14.007 10.147 0.271 223 HG23 VAL 29 3HG2 VAL 29 -14.450 8.659 1.106 224 H GLU 30 H GLU 30 -14.224 9.618 5.138 225 HA GLU 30 HA GLU 30 -12.564 11.360 6.592 226 HB2 GLU 30 1HB GLU 30 -14.615 9.667 7.974 227 HB3 GLU 30 2HB GLU 30 -14.171 11.345 8.258 228 HG2 GLU 30 1HG GLU 30 -15.222 11.980 6.162 229 HG3 GLU 30 2HG GLU 30 -15.694 10.305 5.894 230 H LYS 31 H LYS 31 -12.993 7.891 6.734 231 HA LYS 31 HA LYS 31 -11.531 7.438 9.119 232 HB2 LYS 31 1HB LYS 31 -12.063 5.556 6.820 233 HB3 LYS 31 2HB LYS 31 -11.460 5.097 8.406 234 HG2 LYS 31 1HG LYS 31 -13.554 6.027 9.389 235 HG3 LYS 31 2HG LYS 31 -14.152 6.253 7.744 236 HD2 LYS 31 1HD LYS 31 -13.901 3.847 7.331 237 HD3 LYS 31 2HD LYS 31 -13.330 3.631 8.998 238 HE2 LYS 31 1HE LYS 31 -16.041 4.702 8.191 239 HE3 LYS 31 2HE LYS 31 -15.718 3.071 8.782 240 HZ1 LYS 31 1HZ LYS 31 -15.310 5.590 10.296 241 HZ2 LYS 31 2HZ LYS 31 -14.945 4.046 10.868 242 HZ3 LYS 31 3HZ LYS 31 -16.549 4.468 10.544 243 H PHE 32 H PHE 32 -10.649 7.248 5.687 244 HA PHE 32 HA PHE 32 -8.023 6.378 6.009 245 HB2 PHE 32 1HB PHE 32 -9.051 8.209 3.838 246 HB3 PHE 32 2HB PHE 32 -7.614 7.197 3.761 247 HD1 PHE 32 HD1 PHE 32 -10.195 7.325 1.968 248 HD2 PHE 32 HD2 PHE 32 -8.848 4.742 5.068 249 HE1 PHE 32 HE1 PHE 32 -11.540 5.494 1.023 250 HE2 PHE 32 HE2 PHE 32 -10.186 2.911 4.129 251 HZ PHE 32 HZ PHE 32 -11.532 3.279 2.101 252 H LYS 33 H LYS 33 -9.394 9.597 6.200 253 HA LYS 33 HA LYS 33 -7.013 11.096 6.232 254 HB2 LYS 33 1HB LYS 33 -9.456 11.908 6.082 255 HB3 LYS 33 2HB LYS 33 -9.460 11.787 7.840 256 HG2 LYS 33 1HG LYS 33 -7.618 13.350 7.987 257 HG3 LYS 33 2HG LYS 33 -7.555 13.460 6.221 258 HD2 LYS 33 1HD LYS 33 -9.820 14.380 6.196 259 HD3 LYS 33 2HD LYS 33 -9.908 14.238 7.953 260 HE2 LYS 33 1HE LYS 33 -8.029 15.795 8.164 261 HE3 LYS 33 2HE LYS 33 -7.960 15.944 6.409 262 HZ1 LYS 33 1HZ LYS 33 -10.246 16.728 8.130 263 HZ2 LYS 33 2HZ LYS 33 -10.205 16.853 6.447 264 HZ3 LYS 33 3HZ LYS 33 -9.157 17.786 7.389 265 H LYS 34 H LYS 34 -8.486 9.056 8.590 266 HA LYS 34 HA LYS 34 -6.663 10.021 10.679 267 HB2 LYS 34 1HB LYS 34 -9.233 8.442 10.791 268 HB3 LYS 34 2HB LYS 34 -8.160 8.574 12.182 269 HG2 LYS 34 1HG LYS 34 -8.509 10.898 12.344 270 HG3 LYS 34 2HG LYS 34 -9.251 10.975 10.745 271 HD2 LYS 34 1HD LYS 34 -10.935 11.142 12.502 272 HD3 LYS 34 2HD LYS 34 -11.148 9.667 11.561 273 HE2 LYS 34 1HE LYS 34 -10.041 8.379 13.310 274 HE3 LYS 34 2HE LYS 34 -9.785 9.853 14.245 275 HZ1 LYS 34 1HZ LYS 34 -11.713 8.583 15.007 276 HZ2 LYS 34 2HZ LYS 34 -12.438 8.756 13.491 277 HZ3 LYS 34 3HZ LYS 34 -12.157 10.115 14.452 278 H TRP 35 H TRP 35 -6.212 8.186 8.320 279 HA TRP 35 HA TRP 35 -5.206 6.250 7.744 280 HB2 TRP 35 1HB TRP 35 -3.981 6.796 10.433 281 HB3 TRP 35 2HB TRP 35 -3.458 5.442 9.425 282 HD1 TRP 35 HD1 TRP 35 -3.595 9.297 9.395 283 HE1 TRP 35 HE1 TRP 35 -1.751 10.166 7.815 284 HE3 TRP 35 HE3 TRP 35 -1.955 4.825 7.508 285 HZ2 TRP 35 HZ2 TRP 35 0.136 9.098 6.018 286 HZ3 TRP 35 HZ3 TRP 35 -0.131 4.843 5.866 287 HH2 TRP 35 HH2 TRP 35 0.898 6.925 5.135 288 H GLU 36 H GLU 36 -7.788 5.843 8.721 289 HA GLU 36 HA GLU 36 -7.516 3.214 10.009 290 HB2 GLU 36 1HB GLU 36 -9.933 5.015 9.826 291 HB3 GLU 36 2HB GLU 36 -9.931 3.405 10.531 292 HG2 GLU 36 1HG GLU 36 -8.273 4.203 12.189 293 HG3 GLU 36 2HG GLU 36 -8.455 5.820 11.519 294 H PHE 37 H PHE 37 -7.533 1.624 8.612 295 HA PHE 37 HA PHE 37 -9.107 1.931 6.137 296 HB2 PHE 37 1HB PHE 37 -6.665 0.184 6.561 297 HB3 PHE 37 2HB PHE 37 -7.495 0.471 5.036 298 HD1 PHE 37 HD1 PHE 37 -7.009 2.393 3.719 299 HD2 PHE 37 HD2 PHE 37 -5.403 2.023 7.646 300 HE1 PHE 37 HE1 PHE 37 -5.525 4.307 3.292 301 HE2 PHE 37 HE2 PHE 37 -3.916 3.935 7.221 302 HZ PHE 37 HZ PHE 37 -3.973 5.077 5.044 303 HA PRO 38 HA PRO 38 -11.375 -1.376 8.406 304 HB2 PRO 38 1HB PRO 38 -13.222 -0.744 6.164 305 HB3 PRO 38 2HB PRO 38 -13.561 -0.950 7.895 306 HG2 PRO 38 1HG PRO 38 -13.560 1.477 6.835 307 HG3 PRO 38 2HG PRO 38 -12.819 1.192 8.423 308 HD2 PRO 38 1HD PRO 38 -11.480 1.500 5.747 309 HD3 PRO 38 2HD PRO 38 -11.016 2.185 7.335 310 H GLU 39 H GLU 39 -11.570 -3.488 7.936 311 HA GLU 39 HA GLU 39 -10.332 -4.437 5.527 312 HB2 GLU 39 1HB GLU 39 -9.965 -5.485 7.748 313 HB3 GLU 39 2HB GLU 39 -11.639 -6.016 7.747 314 HG2 GLU 39 1HG GLU 39 -11.265 -7.632 6.164 315 HG3 GLU 39 2HG GLU 39 -9.886 -6.784 5.468 316 H ASP 40 H ASP 40 -11.778 -3.564 4.052 317 HA ASP 40 HA ASP 40 -14.175 -5.162 3.552 318 HB2 ASP 40 1HB ASP 40 -14.868 -3.134 4.865 319 HB3 ASP 40 2HB ASP 40 -14.205 -2.129 3.582 320 H ASP 41 H ASP 41 -14.750 -5.207 1.370 321 HA ASP 41 HA ASP 41 -12.595 -5.184 -0.409 322 HB2 ASP 41 1HB ASP 41 -14.656 -6.568 -0.654 323 HB3 ASP 41 2HB ASP 41 -15.523 -5.121 -1.163 324 H THR 42 H THR 42 -14.959 -2.729 0.336 325 HA THR 42 HA THR 42 -14.614 -0.998 -1.837 326 HB THR 42 HB THR 42 -15.017 -0.137 1.023 327 HG1 THR 42 HG1 THR 42 -16.597 -1.608 0.812 328 HG21 THR 42 1HG2 THR 42 -16.394 1.618 -0.045 329 HG22 THR 42 2HG2 THR 42 -15.907 0.998 -1.624 330 HG23 THR 42 3HG2 THR 42 -14.700 1.681 -0.533 331 H THR 43 H THR 43 -13.047 -0.860 1.353 332 HA THR 43 HA THR 43 -11.150 1.102 0.806 333 HB THR 43 HB THR 43 -10.840 -1.236 2.693 334 HG1 THR 43 HG1 THR 43 -11.718 0.536 4.169 335 HG21 THR 43 1HG2 THR 43 -9.530 0.445 4.023 336 HG22 THR 43 2HG2 THR 43 -9.618 1.523 2.628 337 HG23 THR 43 3HG2 THR 43 -8.780 -0.021 2.495 338 H MET 44 H MET 44 -11.150 -2.335 0.165 339 HA MET 44 HA MET 44 -8.363 -2.629 -0.130 340 HB2 MET 44 1HB MET 44 -10.595 -4.336 -1.214 341 HB3 MET 44 2HB MET 44 -8.903 -4.808 -1.143 342 HG2 MET 44 1HG MET 44 -8.961 -4.636 1.291 343 HG3 MET 44 2HG MET 44 -10.650 -4.149 1.216 344 HE1 MET 44 1HE MET 44 -10.858 -7.705 2.764 345 HE2 MET 44 2HE MET 44 -11.260 -5.997 2.946 346 HE3 MET 44 3HE MET 44 -9.578 -6.522 3.028 347 H CYS 45 H CYS 45 -10.956 -2.256 -2.550 348 HA CYS 45 HA CYS 45 -9.195 -2.224 -4.769 349 HB2 CYS 45 1HB CYS 45 -11.966 -1.032 -4.498 350 HB3 CYS 45 2HB CYS 45 -11.086 -1.197 -6.011 351 H TYR 46 H TYR 46 -10.329 0.236 -2.554 352 HA TYR 46 HA TYR 46 -9.467 2.521 -3.896 353 HB2 TYR 46 1HB TYR 46 -10.802 2.885 -2.007 354 HB3 TYR 46 2HB TYR 46 -9.822 1.825 -0.994 355 HD1 TYR 46 HD1 TYR 46 -9.593 5.046 -2.882 356 HD2 TYR 46 HD2 TYR 46 -8.313 2.773 0.483 357 HE1 TYR 46 HE1 TYR 46 -8.377 6.998 -2.023 358 HE2 TYR 46 HE2 TYR 46 -7.091 4.724 1.343 359 HH TYR 46 HH TYR 46 -6.293 6.785 0.808 360 H ILE 47 H ILE 47 -7.772 0.478 -1.543 361 HA ILE 47 HA ILE 47 -5.317 1.802 -1.612 362 HB ILE 47 HB ILE 47 -5.975 -1.071 -1.002 363 HG12 ILE 47 1HG1 ILE 47 -6.915 0.535 0.571 364 HG13 ILE 47 2HG1 ILE 47 -5.601 -0.346 1.345 365 HG21 ILE 47 1HG2 ILE 47 -3.340 0.357 -0.678 366 HG22 ILE 47 2HG2 ILE 47 -3.676 -1.026 -1.719 367 HG23 ILE 47 3HG2 ILE 47 -3.727 -1.208 0.035 368 HD11 ILE 47 1HD1 ILE 47 -4.124 1.624 0.801 369 HD12 ILE 47 2HD1 ILE 47 -5.392 1.911 1.991 370 HD13 ILE 47 3HD1 ILE 47 -5.594 2.484 0.335 371 H LYS 48 H LYS 48 -6.612 -0.792 -3.634 372 HA LYS 48 HA LYS 48 -4.248 -1.432 -4.988 373 HB2 LYS 48 1HB LYS 48 -6.389 -2.749 -5.049 374 HB3 LYS 48 2HB LYS 48 -7.036 -1.536 -6.144 375 HG2 LYS 48 1HG LYS 48 -5.260 -2.038 -7.751 376 HG3 LYS 48 2HG LYS 48 -4.615 -3.256 -6.651 377 HD2 LYS 48 1HD LYS 48 -5.904 -4.413 -8.265 378 HD3 LYS 48 2HD LYS 48 -6.857 -4.397 -6.783 379 HE2 LYS 48 1HE LYS 48 -8.285 -3.919 -8.665 380 HE3 LYS 48 2HE LYS 48 -8.133 -2.477 -7.665 381 HZ1 LYS 48 1HZ LYS 48 -6.593 -1.548 -9.216 382 HZ2 LYS 48 2HZ LYS 48 -7.955 -2.053 -10.076 383 HZ3 LYS 48 3HZ LYS 48 -6.534 -2.980 -10.119 384 H CYS 49 H CYS 49 -6.886 0.791 -5.868 385 HA CYS 49 HA CYS 49 -5.788 1.722 -8.247 386 HB2 CYS 49 1HB CYS 49 -8.051 2.210 -7.818 387 HB3 CYS 49 2HB CYS 49 -7.684 3.035 -6.304 388 H VAL 50 H VAL 50 -5.457 3.052 -4.947 389 HA VAL 50 HA VAL 50 -3.991 5.320 -5.639 390 HB VAL 50 HB VAL 50 -4.111 3.762 -3.062 391 HG11 VAL 50 1HG1 VAL 50 -2.840 6.447 -3.589 392 HG12 VAL 50 2HG1 VAL 50 -2.004 4.966 -3.118 393 HG13 VAL 50 3HG1 VAL 50 -3.120 5.744 -1.995 394 HG21 VAL 50 1HG2 VAL 50 -6.190 4.789 -3.721 395 HG22 VAL 50 2HG2 VAL 50 -5.374 6.334 -3.970 396 HG23 VAL 50 3HG2 VAL 50 -5.504 5.657 -2.347 397 H PHE 51 H PHE 51 -2.936 2.118 -4.576 398 HA PHE 51 HA PHE 51 -0.182 2.624 -4.596 399 HB2 PHE 51 1HB PHE 51 -1.922 0.214 -4.571 400 HB3 PHE 51 2HB PHE 51 -0.235 -0.021 -5.015 401 HD1 PHE 51 HD1 PHE 51 0.271 -1.366 -3.107 402 HD2 PHE 51 HD2 PHE 51 -1.319 2.554 -2.623 403 HE1 PHE 51 HE1 PHE 51 0.855 -1.425 -0.720 404 HE2 PHE 51 HE2 PHE 51 -0.733 2.499 -0.236 405 HZ PHE 51 HZ PHE 51 0.357 0.511 0.718 406 H ASN 52 H ASN 52 -2.445 1.863 -7.095 407 HA ASN 52 HA ASN 52 -0.478 1.137 -9.074 408 HB2 ASN 52 1HB ASN 52 -2.771 0.235 -9.138 409 HB3 ASN 52 2HB ASN 52 -3.408 1.866 -9.360 410 HD21 ASN 52 1HD2 ASN 52 -0.502 0.611 -10.909 411 HD22 ASN 52 2HD2 ASN 52 -1.141 0.633 -12.514 412 H LYS 53 H LYS 53 -2.365 3.968 -8.204 413 HA LYS 53 HA LYS 53 -1.630 5.566 -10.426 414 HB2 LYS 53 1HB LYS 53 -2.774 6.181 -7.716 415 HB3 LYS 53 2HB LYS 53 -2.383 7.467 -8.848 416 HG2 LYS 53 1HG LYS 53 -4.349 5.217 -9.283 417 HG3 LYS 53 2HG LYS 53 -4.744 6.900 -8.943 418 HD2 LYS 53 1HD LYS 53 -3.692 7.566 -11.057 419 HD3 LYS 53 2HD LYS 53 -3.297 5.878 -11.389 420 HE2 LYS 53 1HE LYS 53 -6.072 7.011 -11.061 421 HE3 LYS 53 2HE LYS 53 -5.310 6.587 -12.593 422 HZ1 LYS 53 1HZ LYS 53 -5.977 4.710 -10.388 423 HZ2 LYS 53 2HZ LYS 53 -5.185 4.286 -11.820 424 HZ3 LYS 53 3HZ LYS 53 -6.779 4.839 -11.872 425 H MET 54 H MET 54 -0.173 4.830 -7.389 426 HA MET 54 HA MET 54 1.765 6.983 -7.598 427 HB2 MET 54 1HB MET 54 1.191 4.885 -5.520 428 HB3 MET 54 2HB MET 54 2.601 5.939 -5.429 429 HG2 MET 54 1HG MET 54 1.275 7.853 -5.189 430 HG3 MET 54 2HG MET 54 -0.184 7.007 -5.697 431 HE1 MET 54 1HE MET 54 1.837 6.711 -1.580 432 HE2 MET 54 2HE MET 54 2.376 7.701 -2.937 433 HE3 MET 54 3HE MET 54 2.616 5.954 -2.972 434 H GLN 55 H GLN 55 1.499 4.262 -9.198 435 HA GLN 55 HA GLN 55 2.849 2.773 -10.213 436 HB2 GLN 55 1HB GLN 55 4.464 5.211 -9.922 437 HB3 GLN 55 2HB GLN 55 5.369 3.749 -10.292 438 HG2 GLN 55 1HG GLN 55 4.044 3.390 -12.275 439 HG3 GLN 55 2HG GLN 55 3.031 4.770 -11.873 440 HE21 GLN 55 1HE2 GLN 55 3.766 6.820 -12.251 441 HE22 GLN 55 2HE2 GLN 55 5.200 7.163 -13.151 442 H LEU 56 H LEU 56 2.385 1.982 -7.726 443 HA LEU 56 HA LEU 56 4.980 1.026 -6.776 444 HB2 LEU 56 1HB LEU 56 2.816 2.410 -5.367 445 HB3 LEU 56 2HB LEU 56 3.396 0.968 -4.520 446 HG LEU 56 HG LEU 56 5.095 3.288 -5.441 447 HD11 LEU 56 1HD1 LEU 56 3.619 3.992 -3.658 448 HD12 LEU 56 2HD1 LEU 56 5.263 3.827 -3.042 449 HD13 LEU 56 3HD1 LEU 56 4.065 2.582 -2.697 450 HD21 LEU 56 1HD2 LEU 56 6.381 1.252 -5.366 451 HD22 LEU 56 2HD2 LEU 56 5.730 0.864 -3.775 452 HD23 LEU 56 3HD2 LEU 56 6.798 2.252 -3.975 453 H PHE 57 H PHE 57 1.829 0.269 -7.785 454 HA PHE 57 HA PHE 57 2.313 -2.574 -7.290 455 HB2 PHE 57 1HB PHE 57 0.799 -1.947 -5.491 456 HB3 PHE 57 2HB PHE 57 -0.254 -1.104 -6.615 457 HD1 PHE 57 HD1 PHE 57 -1.854 -2.281 -7.949 458 HD2 PHE 57 HD2 PHE 57 0.832 -4.404 -5.413 459 HE1 PHE 57 HE1 PHE 57 -3.213 -4.315 -8.213 460 HE2 PHE 57 HE2 PHE 57 -0.523 -6.439 -5.681 461 HZ PHE 57 HZ PHE 57 -2.547 -6.395 -7.080 462 H ASP 58 H ASP 58 1.534 -3.904 -8.883 463 HA ASP 58 HA ASP 58 0.236 -2.601 -11.192 464 HB2 ASP 58 1HB ASP 58 2.593 -3.102 -11.688 465 HB3 ASP 58 2HB ASP 58 2.351 -4.776 -11.209 466 H ASP 59 H ASP 59 -1.460 -3.720 -12.119 467 HA ASP 59 HA ASP 59 -2.847 -5.491 -10.377 468 HB2 ASP 59 1HB ASP 59 -3.418 -4.565 -13.183 469 HB3 ASP 59 2HB ASP 59 -4.457 -5.689 -12.339 470 H THR 60 H THR 60 -0.503 -6.061 -12.741 471 HA THR 60 HA THR 60 -1.313 -8.863 -13.048 472 HB THR 60 HB THR 60 0.692 -7.168 -14.523 473 HG1 THR 60 HG1 THR 60 -1.915 -7.886 -14.919 474 HG21 THR 60 1HG2 THR 60 1.161 -9.093 -15.931 475 HG22 THR 60 2HG2 THR 60 0.094 -10.093 -14.945 476 HG23 THR 60 3HG2 THR 60 1.579 -9.437 -14.253 477 H GLU 61 H GLU 61 1.746 -7.058 -12.569 478 HA GLU 61 HA GLU 61 3.093 -9.391 -11.591 479 HB2 GLU 61 1HB GLU 61 4.154 -6.594 -11.392 480 HB3 GLU 61 2HB GLU 61 5.031 -8.102 -11.587 481 HG2 GLU 61 1HG GLU 61 4.056 -8.328 -13.844 482 HG3 GLU 61 2HG GLU 61 3.333 -6.737 -13.648 483 H GLY 62 H GLY 62 1.088 -7.166 -10.057 484 HA2 GLY 62 1HA GLY 62 0.492 -7.098 -7.817 485 HA3 GLY 62 2HA GLY 62 1.786 -8.247 -7.474 486 HA PRO 63 HA PRO 63 3.195 -4.337 -5.584 487 HB2 PRO 63 1HB PRO 63 4.793 -5.507 -3.718 488 HB3 PRO 63 2HB PRO 63 3.045 -5.321 -3.509 489 HG2 PRO 63 1HG PRO 63 4.613 -7.708 -4.384 490 HG3 PRO 63 2HG PRO 63 3.256 -7.625 -3.253 491 HD2 PRO 63 1HD PRO 63 2.995 -8.423 -5.823 492 HD3 PRO 63 2HD PRO 63 1.690 -7.575 -4.956 493 H LEU 64 H LEU 64 4.747 -3.224 -6.531 494 HA LEU 64 HA LEU 64 6.885 -4.595 -7.931 495 HB2 LEU 64 1HB LEU 64 6.419 -1.617 -7.720 496 HB3 LEU 64 2HB LEU 64 7.401 -2.461 -8.902 497 HG LEU 64 HG LEU 64 4.404 -2.719 -8.694 498 HD11 LEU 64 1HD1 LEU 64 4.341 -1.417 -10.761 499 HD12 LEU 64 2HD1 LEU 64 6.089 -1.192 -10.675 500 HD13 LEU 64 3HD1 LEU 64 5.045 -0.487 -9.440 501 HD21 LEU 64 1HD2 LEU 64 5.569 -4.702 -9.563 502 HD22 LEU 64 2HD2 LEU 64 6.317 -3.697 -10.804 503 HD23 LEU 64 3HD2 LEU 64 4.565 -3.913 -10.782 504 H VAL 65 H VAL 65 8.189 -5.408 -6.421 505 HA VAL 65 HA VAL 65 8.895 -4.426 -3.972 506 HB VAL 65 HB VAL 65 10.513 -6.150 -5.828 507 HG11 VAL 65 1HG1 VAL 65 11.991 -5.144 -4.168 508 HG12 VAL 65 2HG1 VAL 65 11.767 -6.864 -3.852 509 HG13 VAL 65 3HG1 VAL 65 10.912 -5.671 -2.874 510 HG21 VAL 65 1HG2 VAL 65 8.659 -6.771 -3.543 511 HG22 VAL 65 2HG2 VAL 65 9.663 -7.961 -4.372 512 HG23 VAL 65 3HG2 VAL 65 8.392 -7.115 -5.250 513 H ASP 66 H ASP 66 10.563 -3.806 -7.052 514 HA ASP 66 HA ASP 66 12.804 -2.546 -5.926 515 HB2 ASP 66 1HB ASP 66 12.704 -3.403 -8.228 516 HB3 ASP 66 2HB ASP 66 11.625 -2.081 -8.661 517 H ASN 67 H ASN 67 9.852 -1.088 -7.326 518 HA ASN 67 HA ASN 67 10.540 1.570 -6.659 519 HB2 ASN 67 1HB ASN 67 7.888 0.269 -7.247 520 HB3 ASN 67 2HB ASN 67 8.039 1.977 -6.870 521 HD21 ASN 67 1HD2 ASN 67 7.279 2.594 -8.855 522 HD22 ASN 67 2HD2 ASN 67 8.216 2.447 -10.303 523 H LEU 68 H LEU 68 8.877 -0.991 -4.968 524 HA LEU 68 HA LEU 68 7.797 0.450 -2.844 525 HB2 LEU 68 1HB LEU 68 8.632 -2.390 -3.223 526 HB3 LEU 68 2HB LEU 68 8.170 -1.834 -1.622 527 HG LEU 68 HG LEU 68 6.386 -1.457 -4.015 528 HD11 LEU 68 1HD1 LEU 68 5.194 -3.465 -3.342 529 HD12 LEU 68 2HD1 LEU 68 6.376 -3.759 -2.065 530 HD13 LEU 68 3HD1 LEU 68 6.864 -3.851 -3.757 531 HD21 LEU 68 1HD2 LEU 68 4.658 -1.251 -2.326 532 HD22 LEU 68 2HD2 LEU 68 5.947 -0.082 -2.039 533 HD23 LEU 68 3HD2 LEU 68 5.846 -1.541 -1.055 534 H VAL 69 H VAL 69 10.938 -1.192 -3.069 535 HA VAL 69 HA VAL 69 11.874 -0.309 -0.536 536 HB VAL 69 HB VAL 69 13.408 -1.247 -2.950 537 HG11 VAL 69 1HG1 VAL 69 14.250 -0.888 -0.081 538 HG12 VAL 69 2HG1 VAL 69 14.876 -0.025 -1.486 539 HG13 VAL 69 3HG1 VAL 69 15.192 -1.749 -1.298 540 HG21 VAL 69 1HG2 VAL 69 12.497 -2.719 -0.487 541 HG22 VAL 69 2HG2 VAL 69 13.461 -3.393 -1.802 542 HG23 VAL 69 3HG2 VAL 69 11.801 -2.878 -2.101 543 H HIS 70 H HIS 70 12.173 0.937 -3.829 544 HA HIS 70 HA HIS 70 14.005 2.983 -3.364 545 HB2 HIS 70 1HB HIS 70 13.171 2.245 -5.599 546 HB3 HIS 70 2HB HIS 70 11.648 3.051 -5.262 547 HD1 HIS 70 HD1 HIS 70 14.772 3.579 -6.910 548 HD2 HIS 70 HD2 HIS 70 12.125 5.990 -4.801 549 HE1 HIS 70 HE1 HIS 70 15.336 5.939 -7.565 550 HE2 HIS 70 HE2 HIS 70 13.861 7.377 -6.118 551 H GLN 71 H GLN 71 10.565 2.819 -2.709 552 HA GLN 71 HA GLN 71 10.437 5.649 -2.053 553 HB2 GLN 71 1HB GLN 71 8.590 4.507 -3.283 554 HB3 GLN 71 2HB GLN 71 8.282 3.540 -1.846 555 HG2 GLN 71 1HG GLN 71 6.699 5.320 -1.903 556 HG3 GLN 71 2HG GLN 71 7.829 5.611 -0.584 557 HE21 GLN 71 1HE2 GLN 71 6.155 7.539 -1.805 558 HE22 GLN 71 2HE2 GLN 71 7.173 8.733 -2.523 559 H LEU 72 H LEU 72 9.720 2.591 -0.377 560 HA LEU 72 HA LEU 72 9.201 3.775 2.102 561 HB2 LEU 72 1HB LEU 72 10.006 0.961 1.404 562 HB3 LEU 72 2HB LEU 72 9.564 1.457 3.025 563 HG LEU 72 HG LEU 72 7.744 1.690 0.629 564 HD11 LEU 72 1HD1 LEU 72 6.570 -0.250 1.575 565 HD12 LEU 72 2HD1 LEU 72 7.823 -0.400 2.811 566 HD13 LEU 72 3HD1 LEU 72 8.224 -0.653 1.112 567 HD21 LEU 72 1HD2 LEU 72 7.141 3.267 2.331 568 HD22 LEU 72 2HD2 LEU 72 7.285 2.038 3.589 569 HD23 LEU 72 3HD2 LEU 72 5.996 1.925 2.390 570 H ALA 73 H ALA 73 12.198 2.360 0.827 571 HA ALA 73 HA ALA 73 13.627 2.653 3.283 572 HB1 ALA 73 1HB ALA 73 15.546 1.899 2.052 573 HB2 ALA 73 2HB ALA 73 14.717 2.187 0.522 574 HB3 ALA 73 3HB ALA 73 14.141 0.926 1.613 575 H HIS 74 H HIS 74 12.448 5.130 2.369 576 HA HIS 74 HA HIS 74 14.541 6.833 1.395 577 HB2 HIS 74 1HB HIS 74 12.084 7.327 1.128 578 HB3 HIS 74 2HB HIS 74 12.009 7.639 2.860 579 HD1 HIS 74 HD1 HIS 74 11.983 9.485 -0.052 580 HD2 HIS 74 HD2 HIS 74 14.325 9.723 3.368 581 HE1 HIS 74 HE1 HIS 74 12.851 11.843 0.010 582 HE2 HIS 74 HE2 HIS 74 14.094 12.021 2.198 583 H GLY 75 H GLY 75 16.277 6.358 2.794 584 HA2 GLY 75 1HA GLY 75 17.600 7.442 4.442 585 HA3 GLY 75 2HA GLY 75 16.128 7.876 5.298 586 H ARG 76 H ARG 76 16.720 4.653 4.085 587 HA ARG 76 HA ARG 76 17.682 3.686 6.631 588 HB2 ARG 76 1HB ARG 76 14.878 3.337 5.776 589 HB3 ARG 76 2HB ARG 76 15.675 1.879 6.357 590 HG2 ARG 76 1HG ARG 76 16.339 3.254 8.389 591 HG3 ARG 76 2HG ARG 76 15.165 4.444 7.828 592 HD2 ARG 76 1HD ARG 76 13.407 2.776 7.925 593 HD3 ARG 76 2HD ARG 76 14.571 1.554 8.428 594 HE ARG 76 HE ARG 76 14.177 3.947 10.077 595 HH11 ARG 76 1HH1 ARG 76 13.909 0.483 9.668 596 HH12 ARG 76 2HH1 ARG 76 13.616 0.179 11.349 597 HH21 ARG 76 1HH2 ARG 76 13.771 3.559 12.285 598 HH22 ARG 76 2HH2 ARG 76 13.530 1.933 12.843 599 H ASP 77 H ASP 77 18.040 1.289 6.549 600 HA ASP 77 HA ASP 77 19.516 0.554 4.290 601 HB2 ASP 77 1HB ASP 77 18.454 -1.039 6.610 602 HB3 ASP 77 2HB ASP 77 19.398 -1.778 5.323 603 H ALA 78 H ALA 78 18.705 0.308 2.385 604 HA ALA 78 HA ALA 78 16.125 -0.419 1.661 605 HB1 ALA 78 1HB ALA 78 18.668 -0.849 0.108 606 HB2 ALA 78 2HB ALA 78 17.749 0.654 0.175 607 HB3 ALA 78 3HB ALA 78 17.035 -0.784 -0.556 608 H GLU 79 H GLU 79 18.917 -2.392 2.393 609 HA GLU 79 HA GLU 79 18.124 -4.868 1.396 610 HB2 GLU 79 1HB GLU 79 19.741 -4.151 3.835 611 HB3 GLU 79 2HB GLU 79 19.520 -5.806 3.285 612 HG2 GLU 79 1HG GLU 79 20.622 -5.312 1.214 613 HG3 GLU 79 2HG GLU 79 20.740 -3.607 1.639 614 H GLU 80 H GLU 80 17.587 -3.504 4.633 615 HA GLU 80 HA GLU 80 16.076 -5.688 5.595 616 HB2 GLU 80 1HB GLU 80 17.229 -4.166 7.086 617 HB3 GLU 80 2HB GLU 80 16.249 -2.820 6.524 618 HG2 GLU 80 1HG GLU 80 14.298 -3.739 7.525 619 HG3 GLU 80 2HG GLU 80 15.129 -5.242 7.899 620 H VAL 81 H VAL 81 15.215 -2.545 4.231 621 HA VAL 81 HA VAL 81 12.452 -2.675 4.474 622 HB VAL 81 HB VAL 81 14.095 -1.377 2.308 623 HG11 VAL 81 1HG1 VAL 81 12.120 0.076 1.984 624 HG12 VAL 81 2HG1 VAL 81 11.208 -0.971 3.074 625 HG13 VAL 81 3HG1 VAL 81 11.813 -1.604 1.544 626 HG21 VAL 81 1HG2 VAL 81 14.717 -0.535 4.418 627 HG22 VAL 81 2HG2 VAL 81 13.039 -0.433 4.950 628 HG23 VAL 81 3HG2 VAL 81 13.636 0.653 3.696 629 H ARG 82 H ARG 82 14.493 -3.728 1.736 630 HA ARG 82 HA ARG 82 12.525 -4.754 0.070 631 HB2 ARG 82 1HB ARG 82 14.947 -4.476 -0.476 632 HB3 ARG 82 2HB ARG 82 15.283 -5.914 0.478 633 HG2 ARG 82 1HG ARG 82 13.811 -7.205 -1.008 634 HG3 ARG 82 2HG ARG 82 13.588 -5.763 -1.993 635 HD2 ARG 82 1HD ARG 82 15.275 -7.114 -3.013 636 HD3 ARG 82 2HD ARG 82 16.041 -5.684 -2.326 637 HE ARG 82 HE ARG 82 16.051 -8.029 -0.626 638 HH11 ARG 82 1HH1 ARG 82 17.757 -6.171 -3.047 639 HH12 ARG 82 2HH1 ARG 82 19.313 -6.827 -2.647 640 HH21 ARG 82 1HH2 ARG 82 18.101 -8.896 -0.082 641 HH22 ARG 82 2HH2 ARG 82 19.509 -8.376 -0.955 642 H THR 83 H THR 83 14.293 -6.313 2.691 643 HA THR 83 HA THR 83 13.248 -8.893 2.359 644 HB THR 83 HB THR 83 14.485 -7.445 4.683 645 HG1 THR 83 HG1 THR 83 15.998 -8.006 3.207 646 HG21 THR 83 1HG2 THR 83 13.600 -10.333 4.625 647 HG22 THR 83 2HG2 THR 83 12.954 -9.060 5.661 648 HG23 THR 83 3HG2 THR 83 14.620 -9.602 5.865 649 H GLU 84 H GLU 84 12.282 -6.268 4.571 650 HA GLU 84 HA GLU 84 10.120 -7.563 5.768 651 HB2 GLU 84 1HB GLU 84 10.647 -4.639 5.308 652 HB3 GLU 84 2HB GLU 84 9.244 -5.221 6.188 653 HG2 GLU 84 1HG GLU 84 12.129 -5.610 6.920 654 HG3 GLU 84 2HG GLU 84 10.944 -4.606 7.748 655 H VAL 85 H VAL 85 10.172 -5.505 2.866 656 HA VAL 85 HA VAL 85 7.458 -5.559 2.259 657 HB VAL 85 HB VAL 85 9.898 -5.433 0.494 658 HG11 VAL 85 1HG1 VAL 85 8.413 -4.831 -1.368 659 HG12 VAL 85 2HG1 VAL 85 7.015 -5.206 -0.358 660 HG13 VAL 85 3HG1 VAL 85 8.141 -6.485 -0.814 661 HG21 VAL 85 1HG2 VAL 85 9.170 -3.108 0.193 662 HG22 VAL 85 2HG2 VAL 85 9.472 -3.500 1.886 663 HG23 VAL 85 3HG2 VAL 85 7.815 -3.401 1.285 664 H LEU 86 H LEU 86 10.019 -7.827 1.296 665 HA LEU 86 HA LEU 86 8.447 -9.484 -0.308 666 HB2 LEU 86 1HB LEU 86 10.976 -10.037 1.233 667 HB3 LEU 86 2HB LEU 86 10.249 -11.182 0.107 668 HG LEU 86 HG LEU 86 11.076 -8.405 -0.698 669 HD11 LEU 86 1HD1 LEU 86 13.103 -9.404 -1.596 670 HD12 LEU 86 2HD1 LEU 86 12.639 -10.971 -0.930 671 HD13 LEU 86 3HD1 LEU 86 13.015 -9.630 0.153 672 HD21 LEU 86 1HD2 LEU 86 11.054 -9.424 -2.945 673 HD22 LEU 86 2HD2 LEU 86 9.471 -9.439 -2.168 674 HD23 LEU 86 3HD2 LEU 86 10.435 -10.914 -2.232 675 H LYS 87 H LYS 87 8.838 -9.375 3.156 676 HA LYS 87 HA LYS 87 7.745 -11.952 3.722 677 HB2 LYS 87 1HB LYS 87 7.988 -9.445 5.388 678 HB3 LYS 87 2HB LYS 87 7.315 -10.945 6.010 679 HG2 LYS 87 1HG LYS 87 9.413 -12.084 5.639 680 HG3 LYS 87 2HG LYS 87 10.102 -10.623 4.909 681 HD2 LYS 87 1HD LYS 87 9.751 -9.443 7.055 682 HD3 LYS 87 2HD LYS 87 9.170 -10.950 7.762 683 HE2 LYS 87 1HE LYS 87 11.302 -11.988 7.467 684 HE3 LYS 87 2HE LYS 87 11.895 -10.621 6.525 685 HZ1 LYS 87 1HZ LYS 87 12.733 -10.524 8.766 686 HZ2 LYS 87 2HZ LYS 87 11.169 -10.577 9.402 687 HZ3 LYS 87 3HZ LYS 87 11.671 -9.227 8.507 688 H CYS 88 H CYS 88 6.407 -9.107 2.558 689 HA CYS 88 HA CYS 88 3.726 -9.826 3.501 690 HB2 CYS 88 1HB CYS 88 4.989 -7.223 2.715 691 HB3 CYS 88 2HB CYS 88 3.221 -7.401 2.714 692 H VAL 89 H VAL 89 5.764 -9.856 0.816 693 HA VAL 89 HA VAL 89 3.711 -9.652 -1.202 694 HB VAL 89 HB VAL 89 6.560 -10.624 -1.458 695 HG11 VAL 89 1HG1 VAL 89 6.242 -10.170 -3.852 696 HG12 VAL 89 2HG1 VAL 89 4.552 -9.766 -3.535 697 HG13 VAL 89 3HG1 VAL 89 5.134 -11.408 -3.257 698 HG21 VAL 89 1HG2 VAL 89 6.995 -8.382 -2.421 699 HG22 VAL 89 2HG2 VAL 89 6.564 -8.334 -0.714 700 HG23 VAL 89 3HG2 VAL 89 5.370 -7.893 -1.936 701 H ASP 90 H ASP 90 2.609 -11.283 -2.077 702 HA ASP 90 HA ASP 90 3.464 -14.014 -1.917 703 HB2 ASP 90 1HB ASP 90 2.441 -13.652 0.341 704 HB3 ASP 90 2HB ASP 90 0.936 -13.206 -0.465 705 H LYS 91 H LYS 91 1.853 -15.441 -3.001 706 HA LYS 91 HA LYS 91 1.156 -14.275 -5.510 707 HB2 LYS 91 1HB LYS 91 0.267 -16.984 -4.537 708 HB3 LYS 91 2HB LYS 91 0.564 -16.451 -6.189 709 HG2 LYS 91 1HG LYS 91 2.936 -16.275 -5.724 710 HG3 LYS 91 2HG LYS 91 2.651 -16.814 -4.070 711 HD2 LYS 91 1HD LYS 91 1.785 -18.938 -4.912 712 HD3 LYS 91 2HD LYS 91 2.062 -18.395 -6.568 713 HE2 LYS 91 1HE LYS 91 3.858 -19.863 -5.809 714 HE3 LYS 91 2HE LYS 91 4.453 -18.236 -6.127 715 HZ1 LYS 91 1HZ LYS 91 3.781 -19.303 -3.437 716 HZ2 LYS 91 2HZ LYS 91 4.433 -17.778 -3.776 717 HZ3 LYS 91 3HZ LYS 91 5.345 -19.169 -4.071 718 H ASN 92 H ASN 92 -0.875 -14.251 -6.515 719 HA ASN 92 HA ASN 92 -2.962 -13.196 -4.861 720 HB2 ASN 92 1HB ASN 92 -2.463 -12.365 -7.158 721 HB3 ASN 92 2HB ASN 92 -3.016 -13.905 -7.797 722 HD21 ASN 92 1HD2 ASN 92 -4.503 -12.664 -9.019 723 HD22 ASN 92 2HD2 ASN 92 -5.990 -12.123 -8.316 724 H THR 93 H THR 93 -3.135 -15.155 -3.544 725 HA THR 93 HA THR 93 -4.414 -17.478 -4.660 726 HB THR 93 HB THR 93 -4.567 -18.186 -2.267 727 HG1 THR 93 HG1 THR 93 -4.485 -16.590 -0.867 728 HG21 THR 93 1HG2 THR 93 -2.605 -18.744 -3.587 729 HG22 THR 93 2HG2 THR 93 -2.149 -18.398 -1.920 730 HG23 THR 93 3HG2 THR 93 -1.870 -17.194 -3.178 731 H ASP 94 H ASP 94 -5.420 -14.482 -3.313 732 HA ASP 94 HA ASP 94 -8.012 -15.358 -2.446 733 HB2 ASP 94 1HB ASP 94 -6.780 -13.406 -1.458 734 HB3 ASP 94 2HB ASP 94 -7.068 -12.528 -2.965 735 H ASN 95 H ASN 95 -6.597 -14.396 -5.381 736 HA ASN 95 HA ASN 95 -7.334 -14.245 -7.500 737 HB2 ASN 95 1HB ASN 95 -9.824 -15.482 -6.339 738 HB3 ASN 95 2HB ASN 95 -9.566 -15.219 -8.055 739 HD21 ASN 95 1HD2 ASN 95 -9.940 -17.679 -6.531 740 HD22 ASN 95 2HD2 ASN 95 -8.551 -18.662 -6.881 741 H ASN 96 H ASN 96 -7.844 -12.128 -5.442 742 HA ASN 96 HA ASN 96 -9.471 -10.459 -7.200 743 HB2 ASN 96 1HB ASN 96 -11.052 -10.958 -5.492 744 HB3 ASN 96 2HB ASN 96 -9.852 -10.767 -4.216 745 HD21 ASN 96 1HD2 ASN 96 -11.232 -9.314 -3.158 746 HD22 ASN 96 2HD2 ASN 96 -11.462 -7.689 -3.713 747 H ALA 97 H ALA 97 -8.218 -8.874 -7.842 748 HA ALA 97 HA ALA 97 -5.640 -8.451 -6.835 749 HB1 ALA 97 1HB ALA 97 -7.243 -6.595 -8.583 750 HB2 ALA 97 2HB ALA 97 -6.325 -7.989 -9.152 751 HB3 ALA 97 3HB ALA 97 -5.489 -6.628 -8.405 752 H CYS 98 H CYS 98 -8.686 -6.861 -6.086 753 HA CYS 98 HA CYS 98 -7.612 -4.586 -4.791 754 HB2 CYS 98 1HB CYS 98 -10.213 -6.017 -4.203 755 HB3 CYS 98 2HB CYS 98 -9.778 -4.403 -3.655 756 H HIS 99 H HIS 99 -8.351 -7.851 -3.600 757 HA HIS 99 HA HIS 99 -7.638 -7.093 -0.898 758 HB2 HIS 99 1HB HIS 99 -9.406 -8.826 -1.451 759 HB3 HIS 99 2HB HIS 99 -8.095 -9.893 -1.940 760 HD1 HIS 99 HD1 HIS 99 -8.794 -11.555 -0.033 761 HD2 HIS 99 HD2 HIS 99 -7.530 -7.819 1.301 762 HE1 HIS 99 HE1 HIS 99 -8.379 -11.814 2.431 763 HE2 HIS 99 HE2 HIS 99 -7.784 -9.508 3.244 764 H TRP 100 H TRP 100 -6.147 -8.455 -3.677 765 HA TRP 100 HA TRP 100 -3.905 -9.678 -2.512 766 HB2 TRP 100 1HB TRP 100 -4.592 -9.943 -4.886 767 HB3 TRP 100 2HB TRP 100 -4.087 -8.285 -5.202 768 HD1 TRP 100 HD1 TRP 100 -1.669 -10.017 -2.957 769 HE1 TRP 100 HE1 TRP 100 0.401 -10.756 -4.293 770 HE3 TRP 100 HE3 TRP 100 -3.445 -9.275 -7.695 771 HZ2 TRP 100 HZ2 TRP 100 1.178 -11.005 -6.993 772 HZ3 TRP 100 HZ3 TRP 100 -1.979 -9.792 -9.596 773 HH2 TRP 100 HH2 TRP 100 0.284 -10.640 -9.259 774 H ALA 101 H ALA 101 -4.248 -6.423 -3.923 775 HA ALA 101 HA ALA 101 -1.732 -5.460 -3.089 776 HB1 ALA 101 1HB ALA 101 -2.649 -3.235 -3.595 777 HB2 ALA 101 2HB ALA 101 -4.258 -3.943 -3.730 778 HB3 ALA 101 3HB ALA 101 -2.997 -4.401 -4.873 779 H PHE 102 H PHE 102 -4.927 -5.386 -1.633 780 HA PHE 102 HA PHE 102 -4.319 -3.631 0.464 781 HB2 PHE 102 1HB PHE 102 -6.600 -4.131 -0.246 782 HB3 PHE 102 2HB PHE 102 -6.442 -5.771 0.369 783 HD1 PHE 102 HD1 PHE 102 -7.010 -6.236 2.602 784 HD2 PHE 102 HD2 PHE 102 -6.318 -2.214 1.401 785 HE1 PHE 102 HE1 PHE 102 -7.789 -5.450 4.797 786 HE2 PHE 102 HE2 PHE 102 -7.094 -1.420 3.595 787 HZ PHE 102 HZ PHE 102 -7.830 -3.038 5.298 788 H ARG 103 H ARG 103 -3.965 -7.093 0.085 789 HA ARG 103 HA ARG 103 -3.515 -7.713 2.820 790 HB2 ARG 103 1HB ARG 103 -4.131 -9.368 1.025 791 HB3 ARG 103 2HB ARG 103 -2.489 -9.219 0.419 792 HG2 ARG 103 1HG ARG 103 -1.599 -10.048 2.504 793 HG3 ARG 103 2HG ARG 103 -3.221 -10.128 3.182 794 HD2 ARG 103 1HD ARG 103 -2.497 -12.334 2.469 795 HD3 ARG 103 2HD ARG 103 -3.832 -11.778 1.469 796 HE ARG 103 HE ARG 103 -1.339 -11.135 0.283 797 HH11 ARG 103 1HH1 ARG 103 -3.562 -13.769 0.853 798 HH12 ARG 103 2HH1 ARG 103 -3.024 -14.693 -0.512 799 HH21 ARG 103 1HH2 ARG 103 -0.640 -12.321 -1.530 800 HH22 ARG 103 2HH2 ARG 103 -1.352 -13.867 -1.878 801 H GLY 104 H GLY 104 -1.467 -6.787 0.128 802 HA2 GLY 104 1HA GLY 104 1.031 -7.164 1.425 803 HA3 GLY 104 2HA GLY 104 0.729 -6.118 0.033 804 H PHE 105 H PHE 105 -1.105 -4.361 1.085 805 HA PHE 105 HA PHE 105 0.583 -2.540 2.410 806 HB2 PHE 105 1HB PHE 105 -1.092 -1.667 0.971 807 HB3 PHE 105 2HB PHE 105 -2.366 -2.516 1.832 808 HD1 PHE 105 HD1 PHE 105 -3.784 -0.932 2.770 809 HD2 PHE 105 HD2 PHE 105 0.430 -0.344 2.988 810 HE1 PHE 105 HE1 PHE 105 -4.138 1.074 4.142 811 HE2 PHE 105 HE2 PHE 105 0.075 1.668 4.359 812 HZ PHE 105 HZ PHE 105 -2.209 2.378 4.939 813 H LYS 106 H LYS 106 -2.216 -4.419 3.510 814 HA LYS 106 HA LYS 106 -2.328 -3.399 6.109 815 HB2 LYS 106 1HB LYS 106 -4.249 -4.524 5.577 816 HB3 LYS 106 2HB LYS 106 -3.404 -5.846 4.771 817 HG2 LYS 106 1HG LYS 106 -2.655 -6.599 7.042 818 HG3 LYS 106 2HG LYS 106 -3.730 -5.375 7.724 819 HD2 LYS 106 1HD LYS 106 -5.639 -6.426 6.636 820 HD3 LYS 106 2HD LYS 106 -4.574 -7.625 5.905 821 HE2 LYS 106 1HE LYS 106 -3.931 -8.380 8.173 822 HE3 LYS 106 2HE LYS 106 -5.091 -7.239 8.853 823 HZ1 LYS 106 1HZ LYS 106 -5.687 -9.573 7.123 824 HZ2 LYS 106 2HZ LYS 106 -6.839 -8.417 7.574 825 HZ3 LYS 106 3HZ LYS 106 -6.096 -9.380 8.751 826 H CYS 107 H CYS 107 -0.693 -6.260 4.813 827 HA CYS 107 HA CYS 107 0.303 -7.312 7.175 828 HB2 CYS 107 1HB CYS 107 0.417 -8.651 5.243 829 HB3 CYS 107 2HB CYS 107 1.254 -7.414 4.316 830 H PHE 108 H PHE 108 1.670 -4.859 5.023 831 HA PHE 108 HA PHE 108 4.166 -4.773 6.403 832 HB2 PHE 108 1HB PHE 108 3.722 -4.247 3.948 833 HB3 PHE 108 2HB PHE 108 3.129 -2.684 4.507 834 HD1 PHE 108 HD1 PHE 108 6.037 -4.804 3.991 835 HD2 PHE 108 HD2 PHE 108 4.682 -1.048 5.468 836 HE1 PHE 108 HE1 PHE 108 8.345 -3.969 3.979 837 HE2 PHE 108 HE2 PHE 108 6.994 -0.208 5.453 838 HZ PHE 108 HZ PHE 108 8.827 -1.670 4.704 839 H GLN 109 H GLN 109 1.313 -2.642 6.269 840 HA GLN 109 HA GLN 109 2.430 -0.660 7.968 841 HB2 GLN 109 1HB GLN 109 0.248 0.342 7.989 842 HB3 GLN 109 2HB GLN 109 0.606 -0.209 6.362 843 HG2 GLN 109 1HG GLN 109 -1.378 -1.180 6.371 844 HG3 GLN 109 2HG GLN 109 -0.735 -2.334 7.545 845 HE21 GLN 109 1HE2 GLN 109 -2.734 -2.589 8.537 846 HE22 GLN 109 2HE2 GLN 109 -3.449 -1.365 9.529 847 H LYS 110 H LYS 110 1.168 -3.718 8.621 848 HA LYS 110 HA LYS 110 0.074 -3.261 11.197 849 HB2 LYS 110 1HB LYS 110 -0.358 -5.269 9.807 850 HB3 LYS 110 2HB LYS 110 1.305 -5.774 10.055 851 HG2 LYS 110 1HG LYS 110 0.816 -5.798 12.507 852 HG3 LYS 110 2HG LYS 110 -0.874 -5.533 12.099 853 HD2 LYS 110 1HD LYS 110 -0.776 -7.581 10.669 854 HD3 LYS 110 2HD LYS 110 0.834 -7.886 11.323 855 HE2 LYS 110 1HE LYS 110 -0.794 -9.188 12.539 856 HE3 LYS 110 2HE LYS 110 -0.129 -7.942 13.592 857 HZ1 LYS 110 1HZ LYS 110 -2.742 -7.807 12.189 858 HZ2 LYS 110 2HZ LYS 110 -2.107 -6.608 13.197 859 HZ3 LYS 110 3HZ LYS 110 -2.518 -8.116 13.837 860 H ASN 111 H ASN 111 3.296 -3.951 9.973 861 HA ASN 111 HA ASN 111 4.297 -3.965 12.747 862 HB2 ASN 111 1HB ASN 111 5.596 -5.216 10.325 863 HB3 ASN 111 2HB ASN 111 6.120 -5.352 11.998 864 HD21 ASN 111 1HD2 ASN 111 4.913 -6.623 13.441 865 HD22 ASN 111 2HD2 ASN 111 3.808 -7.828 12.871 866 H ASN 112 H ASN 112 4.539 -2.482 9.632 867 HA ASN 112 HA ASN 112 6.723 -0.782 10.625 868 HB2 ASN 112 1HB ASN 112 6.565 -2.154 7.933 869 HB3 ASN 112 2HB ASN 112 7.678 -0.829 8.297 870 HD21 ASN 112 1HD2 ASN 112 7.790 -3.907 7.780 871 HD22 ASN 112 2HD2 ASN 112 8.940 -4.437 8.957 872 H LEU 113 H LEU 113 4.480 0.356 10.981 873 HA LEU 113 HA LEU 113 3.386 1.573 8.602 874 HB2 LEU 113 1HB LEU 113 1.826 1.001 10.312 875 HB3 LEU 113 2HB LEU 113 2.724 1.893 11.521 876 HG LEU 113 HG LEU 113 2.148 3.995 10.294 877 HD11 LEU 113 1HD1 LEU 113 0.266 2.224 8.754 878 HD12 LEU 113 2HD1 LEU 113 1.765 2.885 8.102 879 HD13 LEU 113 3HD1 LEU 113 0.460 3.968 8.598 880 HD21 LEU 113 1HD2 LEU 113 -0.185 4.038 11.054 881 HD22 LEU 113 2HD2 LEU 113 0.876 3.276 12.241 882 HD23 LEU 113 3HD2 LEU 113 -0.157 2.281 11.214 883 H SER 114 H SER 114 5.576 2.426 11.161 884 HA SER 114 HA SER 114 5.515 5.234 10.831 885 HB2 SER 114 1HB SER 114 6.473 4.014 12.812 886 HB3 SER 114 2HB SER 114 7.846 3.562 11.803 887 HG SER 114 HG SER 114 8.654 5.459 12.134 888 H LEU 115 H LEU 115 7.321 2.659 9.270 889 HA LEU 115 HA LEU 115 9.120 4.285 7.824 890 HB2 LEU 115 1HB LEU 115 9.378 1.852 8.203 891 HB3 LEU 115 2HB LEU 115 8.042 1.566 7.107 892 HG LEU 115 HG LEU 115 9.355 2.582 5.274 893 HD11 LEU 115 1HD1 LEU 115 10.768 4.075 6.469 894 HD12 LEU 115 2HD1 LEU 115 11.805 2.876 5.692 895 HD13 LEU 115 3HD1 LEU 115 11.450 2.757 7.415 896 HD21 LEU 115 1HD2 LEU 115 9.371 0.153 5.657 897 HD22 LEU 115 2HD2 LEU 115 10.782 0.338 6.698 898 HD23 LEU 115 3HD2 LEU 115 10.894 0.731 4.983 899 H ILE 116 H ILE 116 5.848 3.207 7.258 900 HA ILE 116 HA ILE 116 5.665 3.981 4.543 901 HB ILE 116 HB ILE 116 3.551 3.553 6.660 902 HG12 ILE 116 1HG1 ILE 116 4.340 1.928 4.229 903 HG13 ILE 116 2HG1 ILE 116 4.859 1.590 5.886 904 HG21 ILE 116 1HG2 ILE 116 3.159 4.088 3.719 905 HG22 ILE 116 2HG2 ILE 116 2.677 5.150 5.042 906 HG23 ILE 116 3HG2 ILE 116 1.900 3.577 4.841 907 HD11 ILE 116 1HD1 ILE 116 2.497 1.269 6.514 908 HD12 ILE 116 2HD1 ILE 116 3.039 0.139 5.272 909 HD13 ILE 116 3HD1 ILE 116 2.041 1.523 4.831 910 H LYS 117 H LYS 117 4.965 5.581 7.594 911 HA LYS 117 HA LYS 117 3.918 7.971 6.518 912 HB2 LYS 117 1HB LYS 117 5.182 7.331 9.176 913 HB3 LYS 117 2HB LYS 117 4.499 8.908 8.797 914 HG2 LYS 117 1HG LYS 117 2.317 7.887 8.426 915 HG3 LYS 117 2HG LYS 117 2.985 6.294 8.764 916 HD2 LYS 117 1HD LYS 117 3.432 6.898 11.045 917 HD3 LYS 117 2HD LYS 117 3.002 8.582 10.736 918 HE2 LYS 117 1HE LYS 117 1.104 6.252 10.478 919 HE3 LYS 117 2HE LYS 117 1.223 7.286 11.900 920 HZ1 LYS 117 1HZ LYS 117 0.598 9.176 10.547 921 HZ2 LYS 117 2HZ LYS 117 -0.580 7.969 10.439 922 HZ3 LYS 117 3HZ LYS 117 0.510 8.206 9.166 923 H ALA 118 H ALA 118 7.177 6.980 7.478 924 HA ALA 118 HA ALA 118 8.389 9.503 6.906 925 HB1 ALA 118 1HB ALA 118 10.491 8.306 7.186 926 HB2 ALA 118 2HB ALA 118 9.619 6.771 7.182 927 HB3 ALA 118 3HB ALA 118 9.359 7.930 8.484 928 H SER 119 H SER 119 7.541 6.733 5.037 929 HA SER 119 HA SER 119 9.333 6.983 2.900 930 HB2 SER 119 1HB SER 119 7.927 4.990 3.344 931 HB3 SER 119 2HB SER 119 6.505 5.906 2.853 932 HG SER 119 HG SER 119 8.755 5.543 1.177 933 H ILE 120 H ILE 120 6.093 8.337 3.380 934 HA ILE 120 HA ILE 120 6.206 9.732 0.833 935 HB ILE 120 HB ILE 120 3.951 10.602 1.542 936 HG12 ILE 120 1HG1 ILE 120 4.255 8.595 3.777 937 HG13 ILE 120 2HG1 ILE 120 4.398 10.336 3.994 938 HG21 ILE 120 1HG2 ILE 120 4.341 7.621 1.490 939 HG22 ILE 120 2HG2 ILE 120 4.175 8.679 0.088 940 HG23 ILE 120 3HG2 ILE 120 2.819 8.459 1.193 941 HD11 ILE 120 1HD1 ILE 120 2.105 10.636 3.305 942 HD12 ILE 120 2HD1 ILE 120 2.200 9.487 4.637 943 HD13 ILE 120 3HD1 ILE 120 1.950 8.911 2.990 944 H LYS 121 H LYS 121 7.501 10.292 3.758 945 HA LYS 121 HA LYS 121 6.801 13.086 4.033 946 HB2 LYS 121 1HB LYS 121 7.022 11.614 5.993 947 HB3 LYS 121 2HB LYS 121 8.717 11.360 5.606 948 HG2 LYS 121 1HG LYS 121 9.171 13.722 5.976 949 HG3 LYS 121 2HG LYS 121 7.462 14.002 6.312 950 HD2 LYS 121 1HD LYS 121 9.266 12.176 7.893 951 HD3 LYS 121 2HD LYS 121 8.806 13.810 8.368 952 HE2 LYS 121 1HE LYS 121 6.442 13.113 8.384 953 HE3 LYS 121 2HE LYS 121 6.940 11.473 7.973 954 HZ1 LYS 121 1HZ LYS 121 7.797 12.916 10.420 955 HZ2 LYS 121 2HZ LYS 121 8.105 11.299 10.037 956 HZ3 LYS 121 3HZ LYS 121 6.529 11.801 10.362 957 H LYS 122 H LYS 122 7.860 14.637 3.007 958 HA LYS 122 HA LYS 122 10.388 14.159 1.730 959 HB2 LYS 122 1HB LYS 122 10.211 16.523 1.038 960 HB3 LYS 122 2HB LYS 122 8.815 15.582 0.607 961 HG2 LYS 122 1HG LYS 122 7.564 16.524 2.468 962 HG3 LYS 122 2HG LYS 122 8.992 17.421 2.987 963 HD2 LYS 122 1HD LYS 122 8.980 18.626 0.834 964 HD3 LYS 122 2HD LYS 122 7.509 17.763 0.383 965 HE2 LYS 122 1HE LYS 122 7.800 19.569 2.779 966 HE3 LYS 122 2HE LYS 122 7.063 20.028 1.247 967 HZ1 LYS 122 1HZ LYS 122 5.316 18.490 1.572 968 HZ2 LYS 122 2HZ LYS 122 5.477 19.345 3.025 969 HZ3 LYS 122 3HZ LYS 122 6.085 17.774 2.902 970 H ASP 123 H ASP 123 12.286 15.428 2.115 971 HA ASP 123 HA ASP 123 12.695 15.931 4.961 972 HB2 ASP 123 1HB ASP 123 14.695 15.864 2.688 973 HB3 ASP 123 2HB ASP 123 15.092 16.064 4.389 974 H21 ACD 201 H21 ACD 1 -4.456 4.713 1.433 975 H22 ACD 201 H22 ACD 1 -3.272 4.722 2.747 976 H31 ACD 201 H31 ACD 1 -1.922 6.400 1.436 977 H32 ACD 201 H32 ACD 1 -3.063 6.232 0.103 978 H41 ACD 201 H41 ACD 1 -2.540 3.784 -0.014 979 H42 ACD 201 H42 ACD 1 -1.110 4.794 -0.292 980 H5 ACD 201 H5 ACD 1 -1.636 3.028 2.147 981 H6 ACD 201 H6 ACD 1 0.580 3.711 2.735 982 H71 ACD 201 H71 ACD 1 0.931 5.052 0.172 983 H72 ACD 201 H72 ACD 1 0.008 6.187 1.159 984 H8 ACD 201 H8 ACD 1 1.920 6.500 2.686 985 H9 ACD 201 H9 ACD 1 4.015 5.531 2.079 986 H101 ACD 201 H101 ACD 1 2.916 4.726 -0.496 987 H102 ACD 201 H102 ACD 1 2.463 3.441 0.625 988 H11 ACD 201 H11 ACD 1 5.425 4.311 0.472 989 H12 ACD 201 H12 ACD 1 5.730 1.978 0.134 990 H131 ACD 201 H131 ACD 1 2.756 2.040 -0.551 991 H132 ACD 201 H132 ACD 1 3.837 0.650 -0.663 992 H14 ACD 201 H14 ACD 1 2.732 1.710 2.041 993 H15 ACD 201 H15 ACD 1 2.599 -0.628 2.479 994 H161 ACD 201 H161 ACD 1 2.780 -1.301 -0.332 995 H162 ACD 201 H162 ACD 1 4.444 -0.939 0.136 996 H171 ACD 201 H171 ACD 1 4.449 -2.648 1.831 997 H172 ACD 201 H172 ACD 1 2.705 -2.877 1.696 998 H181 ACD 201 H181 ACD 1 4.713 -3.460 -0.521 999 H182 ACD 201 H182 ACD 1 2.971 -3.736 -0.608 1000 H191 ACD 201 H191 ACD 1 4.926 -5.080 1.306 1001 H192 ACD 201 H192 ACD 1 3.175 -5.284 1.384 1002 H201 ACD 201 H201 ACD 1 4.202 -7.119 0.123 1003 H202 ACD 201 H202 ACD 1 4.925 -5.998 -0.978 1004 H203 ACD 201 H203 ACD 1 3.205 -6.174 -0.929
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