NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
621848 | 5lwc | 34044 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H FME 1 H FME 1 -12.151 -4.828 1.320 2 HCN FME 1 HF FME 1 -12.432 -3.926 3.464 3 HA FME 1 HA FME 1 -9.663 -3.787 0.871 4 HB2 FME 1 1HB FME 1 -11.805 -3.524 -1.226 5 HB3 FME 1 2HB FME 1 -11.163 -5.099 -0.748 6 HG2 FME 1 1HG FME 1 -8.863 -4.250 -1.231 7 HG3 FME 1 2HG FME 1 -9.571 -2.740 -1.809 8 HE1 FME 1 1HE FME 1 -8.041 -3.226 -3.600 9 HE2 FME 1 2HE FME 1 -8.585 -3.928 -5.122 10 HE3 FME 1 3HE FME 1 -7.739 -4.935 -3.954 11 H ALA 2 H ALA 2 -12.745 -2.083 0.716 12 HA ALA 2 HA ALA 2 -11.770 0.381 -0.241 13 HB1 ALA 2 1HB ALA 2 -14.139 -0.068 -0.224 14 HB2 ALA 2 2HB ALA 2 -13.845 1.312 0.825 15 HB3 ALA 2 3HB ALA 2 -14.137 -0.283 1.524 16 H GLY 3 H GLY 3 -12.109 -0.889 3.075 17 HA2 GLY 3 2HA GLY 3 -11.361 1.464 4.438 18 HA3 GLY 3 1HA GLY 3 -11.201 -0.172 5.067 19 H LEU 4 H LEU 4 -9.484 -1.254 3.187 20 HA LEU 4 HA LEU 4 -6.950 -0.530 4.142 21 HB2 LEU 4 2HB LEU 4 -7.606 -2.729 3.187 22 HB3 LEU 4 1HB LEU 4 -7.762 -1.991 1.607 23 HG LEU 4 HG LEU 4 -5.585 -3.334 2.304 24 HD11 LEU 4 1HD1 LEU 4 -4.267 -1.667 0.805 25 HD12 LEU 4 2HD1 LEU 4 -5.817 -0.854 0.641 26 HD13 LEU 4 3HD1 LEU 4 -5.650 -2.526 0.137 27 HD21 LEU 4 1HD2 LEU 4 -4.824 -0.544 3.183 28 HD22 LEU 4 2HD2 LEU 4 -3.790 -1.964 3.139 29 HD23 LEU 4 3HD2 LEU 4 -5.126 -1.879 4.286 30 H LEU 5 H LEU 5 -8.619 0.258 1.097 31 HA LEU 5 HA LEU 5 -6.530 1.777 -0.059 32 HB2 LEU 5 2HB LEU 5 -9.524 1.877 -0.456 33 HB3 LEU 5 1HB LEU 5 -8.377 2.779 -1.438 34 HG LEU 5 HG LEU 5 -8.261 -0.231 -1.076 35 HD11 LEU 5 1HD1 LEU 5 -10.358 0.340 -2.144 36 HD12 LEU 5 2HD1 LEU 5 -9.259 -0.277 -3.377 37 HD13 LEU 5 3HD1 LEU 5 -9.547 1.457 -3.239 38 HD21 LEU 5 1HD2 LEU 5 -6.156 0.392 -1.870 39 HD22 LEU 5 2HD2 LEU 5 -6.776 1.802 -2.731 40 HD23 LEU 5 3HD2 LEU 5 -7.024 0.186 -3.391 41 H ARG 6 H ARG 6 -9.305 2.737 1.965 42 HA ARG 6 HA ARG 6 -8.891 5.511 1.866 43 HB2 ARG 6 2HB ARG 6 -10.932 4.443 2.734 44 HB3 ARG 6 1HB ARG 6 -10.029 3.865 4.133 45 HG2 ARG 6 2HG ARG 6 -9.807 6.792 3.602 46 HG3 ARG 6 1HG ARG 6 -11.407 6.234 4.071 47 HD2 ARG 6 2HD ARG 6 -8.881 5.605 5.618 48 HD3 ARG 6 1HD ARG 6 -9.974 6.934 5.997 49 HE ARG 6 HE ARG 6 -11.508 4.591 5.875 50 HH11 ARG 6 1HH1 ARG 6 -12.088 3.556 7.812 51 HH12 ARG 6 2HH1 ARG 6 -11.161 3.837 9.248 52 HH21 ARG 6 1HH2 ARG 6 -8.927 5.992 7.690 53 HH22 ARG 6 2HH2 ARG 6 -9.355 5.211 9.175 54 H PHE 7 H PHE 7 -7.625 3.060 4.099 55 HA PHE 7 HA PHE 7 -6.277 4.802 5.833 56 HB2 PHE 7 2HB PHE 7 -6.704 2.449 6.356 57 HB3 PHE 7 1HB PHE 7 -5.637 1.945 5.047 58 HD1 PHE 7 1HD PHE 7 -3.269 1.819 5.377 59 HD2 PHE 7 2HD PHE 7 -5.752 3.791 8.279 60 HE1 PHE 7 1HE PHE 7 -1.343 1.955 6.940 61 HE2 PHE 7 2HE PHE 7 -3.831 3.923 9.834 62 HZ PHE 7 HZ PHE 7 -1.635 2.996 9.172 63 H LEU 8 H LEU 8 -5.179 3.115 2.889 64 HA LEU 8 HA LEU 8 -2.527 4.044 3.059 65 HB2 LEU 8 2HB LEU 8 -4.209 3.038 0.780 66 HB3 LEU 8 1HB LEU 8 -2.582 3.659 0.492 67 HG LEU 8 HG LEU 8 -3.019 1.612 2.653 68 HD11 LEU 8 1HD1 LEU 8 -2.715 1.063 -0.314 69 HD12 LEU 8 2HD1 LEU 8 -4.101 0.652 0.686 70 HD13 LEU 8 3HD1 LEU 8 -2.556 -0.154 0.949 71 HD21 LEU 8 1HD2 LEU 8 -0.814 2.934 2.086 72 HD22 LEU 8 2HD2 LEU 8 -0.707 1.808 0.736 73 HD23 LEU 8 3HD2 LEU 8 -0.721 1.203 2.388 74 H LEU 9 H LEU 9 -5.398 5.437 1.525 75 HA LEU 9 HA LEU 9 -4.116 7.612 0.250 76 HB2 LEU 9 2HB LEU 9 -6.447 6.878 -0.194 77 HB3 LEU 9 1HB LEU 9 -6.921 7.496 1.381 78 HG LEU 9 HG LEU 9 -6.202 9.770 0.716 79 HD11 LEU 9 1HD1 LEU 9 -5.873 9.979 -1.897 80 HD12 LEU 9 2HD1 LEU 9 -5.361 8.297 -1.771 81 HD13 LEU 9 3HD1 LEU 9 -4.499 9.553 -0.878 82 HD21 LEU 9 1HD2 LEU 9 -8.532 9.174 0.325 83 HD22 LEU 9 2HD2 LEU 9 -8.114 8.378 -1.191 84 HD23 LEU 9 3HD2 LEU 9 -7.967 10.127 -1.046 85 H SER 10 H SER 10 -5.629 7.314 3.463 86 HA SER 10 HA SER 10 -5.318 9.995 4.236 87 HB2 SER 10 2HB SER 10 -5.540 9.144 6.539 88 HB3 SER 10 1HB SER 10 -6.734 8.421 5.465 89 HG SER 10 HG SER 10 -5.918 6.621 6.206 90 H LYS 11 H LYS 11 -3.135 7.212 4.463 91 HA LYS 11 HA LYS 11 -1.172 8.650 5.981 92 HB2 LYS 11 2HB LYS 11 -0.961 6.117 4.342 93 HB3 LYS 11 1HB LYS 11 0.338 6.752 5.348 94 HG2 LYS 11 2HG LYS 11 -2.431 6.086 6.411 95 HG3 LYS 11 1HG LYS 11 -1.069 4.966 6.467 96 HD2 LYS 11 2HD LYS 11 0.181 6.962 7.634 97 HD3 LYS 11 1HD LYS 11 -1.446 7.558 7.953 98 HE2 LYS 11 2HE LYS 11 -2.027 5.404 9.025 99 HE3 LYS 11 1HE LYS 11 -0.386 4.836 8.723 100 HZ1 LYS 11 1HZ LYS 11 -1.294 6.930 10.585 101 HZ2 LYS 11 2HZ LYS 11 0.302 6.939 10.000 102 HZ3 LYS 11 3HZ LYS 11 -0.276 5.605 10.878 103 H GLY 12 H GLY 12 -1.509 7.921 2.520 104 HA2 GLY 12 2HA GLY 12 -0.082 10.300 1.784 105 HA3 GLY 12 1HA GLY 12 0.867 8.847 1.499 106 H ARG 13 H ARG 13 -0.016 10.613 -0.529 107 HA ARG 13 HA ARG 13 -2.290 9.377 -1.847 108 HB2 ARG 13 2HB ARG 13 -0.352 11.545 -2.668 109 HB3 ARG 13 1HB ARG 13 -1.677 10.974 -3.683 110 HG2 ARG 13 2HG ARG 13 -3.301 11.572 -1.931 111 HG3 ARG 13 1HG ARG 13 -1.986 12.124 -0.894 112 HD2 ARG 13 2HD ARG 13 -1.369 13.822 -2.558 113 HD3 ARG 13 1HD ARG 13 -2.665 13.268 -3.612 114 HE ARG 13 HE ARG 13 -2.964 14.818 -1.151 115 HH11 ARG 13 1HH1 ARG 13 -5.056 15.652 -0.831 116 HH12 ARG 13 2HH1 ARG 13 -6.356 15.120 -1.844 117 HH21 ARG 13 1HH2 ARG 13 -4.398 12.958 -3.697 118 HH22 ARG 13 2HH2 ARG 13 -5.987 13.600 -3.452 119 H ALA 14 H ALA 14 1.211 9.376 -1.992 120 HA ALA 14 HA ALA 14 1.527 8.083 -4.475 121 HB1 ALA 14 1HB ALA 14 3.737 7.300 -3.343 122 HB2 ALA 14 2HB ALA 14 3.222 8.347 -2.013 123 HB3 ALA 14 3HB ALA 14 3.484 9.027 -3.620 124 H LEU 15 H LEU 15 1.127 6.849 -1.194 125 HA LEU 15 HA LEU 15 1.540 4.113 -1.719 126 HB2 LEU 15 2HB LEU 15 -0.364 5.323 0.284 127 HB3 LEU 15 1HB LEU 15 0.427 3.755 0.373 128 HG LEU 15 HG LEU 15 1.923 6.385 0.306 129 HD11 LEU 15 1HD1 LEU 15 0.713 6.425 2.341 130 HD12 LEU 15 2HD1 LEU 15 2.301 5.808 2.777 131 HD13 LEU 15 3HD1 LEU 15 0.939 4.701 2.606 132 HD21 LEU 15 1HD2 LEU 15 2.666 3.480 0.658 133 HD22 LEU 15 2HD2 LEU 15 3.661 4.744 1.380 134 HD23 LEU 15 3HD2 LEU 15 3.420 4.708 -0.363 135 H TYR 16 H TYR 16 -1.352 6.161 -1.809 136 HA TYR 16 HA TYR 16 -3.233 4.127 -2.352 137 HB2 TYR 16 2HB TYR 16 -3.989 6.304 -1.626 138 HB3 TYR 16 1HB TYR 16 -3.282 7.075 -3.045 139 HD1 TYR 16 1HD TYR 16 -4.451 7.123 -5.129 140 HD2 TYR 16 2HD TYR 16 -5.842 4.636 -1.920 141 HE1 TYR 16 1HE TYR 16 -6.554 6.700 -6.373 142 HE2 TYR 16 2HE TYR 16 -7.946 4.216 -3.163 143 HH TYR 16 HH TYR 16 -8.856 6.052 -5.890 144 H ASN 17 H ASN 17 -1.379 6.258 -4.488 145 HA ASN 17 HA ASN 17 -2.485 5.379 -6.919 146 HB2 ASN 17 2HB ASN 17 -1.081 7.391 -6.723 147 HB3 ASN 17 1HB ASN 17 0.318 6.378 -6.369 148 HD21 ASN 17 1HD2 ASN 17 1.498 6.865 -8.302 149 HD22 ASN 17 2HD2 ASN 17 0.950 6.411 -9.842 150 H TRP 18 H TRP 18 0.336 4.205 -5.078 151 HA TRP 18 HA TRP 18 1.231 2.281 -6.915 152 HB2 TRP 18 2HB TRP 18 2.615 2.910 -5.045 153 HB3 TRP 18 1HB TRP 18 1.385 2.387 -3.901 154 HD1 TRP 18 HD TRP 18 1.249 -0.099 -3.292 155 HE1 TRP 18 1HE TRP 18 2.650 -2.176 -3.893 156 HE3 TRP 18 3HE TRP 18 4.046 1.820 -7.098 157 HZ2 TRP 18 2HZ TRP 18 4.691 -2.922 -5.758 158 HZ3 TRP 18 3HZ TRP 18 5.706 0.408 -8.276 159 HH2 TRP 18 HH TRP 18 6.033 -1.958 -7.611 160 H ALA 19 H ALA 19 -1.109 2.019 -4.237 161 HA ALA 19 HA ALA 19 -1.547 -0.757 -4.464 162 HB1 ALA 19 1HB ALA 19 -3.789 -0.170 -3.359 163 HB2 ALA 19 2HB ALA 19 -3.214 1.496 -3.357 164 HB3 ALA 19 3HB ALA 19 -2.323 0.256 -2.478 165 H LYS 20 H LYS 20 -3.147 2.019 -5.958 166 HA LYS 20 HA LYS 20 -5.208 0.577 -7.265 167 HB2 LYS 20 2HB LYS 20 -5.189 3.050 -6.945 168 HB3 LYS 20 1HB LYS 20 -3.893 3.162 -8.136 169 HG2 LYS 20 2HG LYS 20 -5.329 2.161 -9.842 170 HG3 LYS 20 1HG LYS 20 -6.624 1.960 -8.661 171 HD2 LYS 20 2HD LYS 20 -6.714 4.412 -8.348 172 HD3 LYS 20 1HD LYS 20 -5.433 4.605 -9.549 173 HE2 LYS 20 2HE LYS 20 -6.855 3.535 -11.251 174 HE3 LYS 20 1HE LYS 20 -8.136 3.326 -10.060 175 HZ1 LYS 20 1HZ LYS 20 -8.815 5.384 -10.430 176 HZ2 LYS 20 2HZ LYS 20 -7.660 5.534 -11.666 177 HZ3 LYS 20 3HZ LYS 20 -7.280 6.013 -10.081 178 H SER 21 H SER 21 -1.975 1.588 -8.316 179 HA SER 21 HA SER 21 -2.140 0.680 -10.967 180 HB2 SER 21 2HB SER 21 -0.375 2.190 -10.167 181 HB3 SER 21 1HB SER 21 0.294 0.897 -9.179 182 HG SER 21 HG SER 21 -0.003 -0.054 -11.622 183 H HIS 22 H HIS 22 -1.046 -1.005 -8.006 184 HA HIS 22 HA HIS 22 -1.124 -3.546 -9.532 185 HB2 HIS 22 2HB HIS 22 0.739 -2.894 -7.246 186 HB3 HIS 22 1HB HIS 22 0.746 -4.345 -8.249 187 HD1 HIS 22 1HD HIS 22 1.712 -0.720 -8.274 188 HD2 HIS 22 2HD HIS 22 1.839 -3.988 -10.859 189 HE1 HIS 22 1HE HIS 22 3.214 -0.052 -10.202 190 HE2 HIS 22 2HE HIS 22 3.303 -2.035 -11.785 191 H VAL 23 H VAL 23 -3.260 -3.903 -8.853 192 HA VAL 23 HA VAL 23 -4.061 -3.856 -6.136 193 HB VAL 23 HB VAL 23 -5.989 -5.229 -6.919 194 HG11 VAL 23 1HG1 VAL 23 -6.236 -2.852 -7.125 195 HG12 VAL 23 2HG1 VAL 23 -6.788 -3.536 -8.654 196 HG13 VAL 23 3HG1 VAL 23 -5.189 -2.798 -8.546 197 HG21 VAL 23 1HG2 VAL 23 -4.330 -5.285 -9.452 198 HG22 VAL 23 2HG2 VAL 23 -6.071 -5.572 -9.464 199 HG23 VAL 23 3HG2 VAL 23 -5.006 -6.651 -8.563 200 H GLY 24 H GLY 24 -2.353 -6.077 -8.125 201 HA2 GLY 24 2HA GLY 24 -2.775 -8.474 -6.718 202 HA3 GLY 24 1HA GLY 24 -1.353 -8.091 -7.694 203 H LYS 25 H LYS 25 -0.397 -5.870 -6.290 204 HA LYS 25 HA LYS 25 1.126 -7.107 -4.276 205 HB2 LYS 25 2HB LYS 25 0.565 -4.152 -4.690 206 HB3 LYS 25 1HB LYS 25 1.850 -4.815 -3.684 207 HG2 LYS 25 2HG LYS 25 1.647 -5.605 -6.575 208 HG3 LYS 25 1HG LYS 25 2.414 -4.082 -6.121 209 HD2 LYS 25 2HD LYS 25 3.964 -5.305 -4.642 210 HD3 LYS 25 1HD LYS 25 3.213 -6.830 -5.109 211 HE2 LYS 25 2HE LYS 25 3.826 -6.436 -7.453 212 HE3 LYS 25 1HE LYS 25 4.572 -4.905 -7.007 213 HZ1 LYS 25 1HZ LYS 25 6.406 -5.956 -6.380 214 HZ2 LYS 25 2HZ LYS 25 5.760 -7.393 -7.015 215 HZ3 LYS 25 3HZ LYS 25 5.541 -7.012 -5.373 216 H VAL 26 H VAL 26 -1.779 -5.122 -4.139 217 HA VAL 26 HA VAL 26 -1.976 -4.820 -1.350 218 HB VAL 26 HB VAL 26 -4.058 -4.889 -3.529 219 HG11 VAL 26 1HG1 VAL 26 -5.513 -3.741 -1.789 220 HG12 VAL 26 2HG1 VAL 26 -4.351 -4.281 -0.576 221 HG13 VAL 26 3HG1 VAL 26 -5.244 -5.466 -1.530 222 HG21 VAL 26 1HG2 VAL 26 -2.386 -3.047 -3.574 223 HG22 VAL 26 2HG2 VAL 26 -2.854 -2.605 -1.932 224 HG23 VAL 26 3HG2 VAL 26 -4.015 -2.456 -3.251 225 H TRP 27 H TRP 27 -3.289 -7.214 -3.558 226 HA TRP 27 HA TRP 27 -4.651 -8.747 -1.607 227 HB2 TRP 27 2HB TRP 27 -3.565 -9.445 -4.332 228 HB3 TRP 27 1HB TRP 27 -4.430 -10.606 -3.329 229 HD1 TRP 27 HD TRP 27 -5.043 -8.141 -5.916 230 HE1 TRP 27 1HE TRP 27 -7.532 -7.478 -6.008 231 HE3 TRP 27 3HE TRP 27 -6.622 -10.014 -1.424 232 HZ2 TRP 27 2HZ TRP 27 -9.888 -7.712 -4.380 233 HZ3 TRP 27 3HZ TRP 27 -8.987 -9.782 -0.723 234 HH2 TRP 27 HH TRP 27 -10.622 -8.636 -2.193 235 H GLU 28 H GLU 28 -1.391 -9.042 -2.955 236 HA GLU 28 HA GLU 28 -0.585 -11.386 -1.680 237 HB2 GLU 28 2HB GLU 28 0.707 -10.267 -3.474 238 HB3 GLU 28 1HB GLU 28 1.133 -8.983 -2.343 239 HG2 GLU 28 2HG GLU 28 2.230 -10.622 -0.872 240 HG3 GLU 28 1HG GLU 28 1.787 -11.921 -1.973 241 H TRP 29 H TRP 29 -0.296 -7.976 -0.525 242 HA TRP 29 HA TRP 29 1.033 -8.728 1.875 243 HB2 TRP 29 2HB TRP 29 -0.716 -6.293 1.737 244 HB3 TRP 29 1HB TRP 29 0.735 -6.568 2.667 245 HD1 TRP 29 HD TRP 29 -0.256 -4.489 0.076 246 HE1 TRP 29 1HE TRP 29 1.600 -3.914 -1.606 247 HE3 TRP 29 3HE TRP 29 3.147 -8.109 1.247 248 HZ2 TRP 29 2HZ TRP 29 4.180 -4.846 -2.360 249 HZ3 TRP 29 3HZ TRP 29 5.297 -8.217 0.035 250 HH2 TRP 29 HH TRP 29 5.824 -6.605 -1.766 251 H LEU 30 H LEU 30 -2.407 -8.302 1.066 252 HA LEU 30 HA LEU 30 -3.346 -8.530 3.727 253 HB2 LEU 30 2HB LEU 30 -4.670 -9.105 1.078 254 HB3 LEU 30 1HB LEU 30 -5.515 -9.231 2.623 255 HG LEU 30 HG LEU 30 -4.044 -6.741 1.704 256 HD11 LEU 30 1HD1 LEU 30 -5.831 -6.856 0.196 257 HD12 LEU 30 2HD1 LEU 30 -6.527 -5.924 1.524 258 HD13 LEU 30 3HD1 LEU 30 -6.894 -7.644 1.363 259 HD21 LEU 30 1HD2 LEU 30 -4.229 -6.438 3.987 260 HD22 LEU 30 2HD2 LEU 30 -5.603 -7.529 4.138 261 HD23 LEU 30 3HD2 LEU 30 -5.841 -5.889 3.539 262 H LYS 31 H LYS 31 -2.734 -10.967 1.226 263 HA LYS 31 HA LYS 31 -3.719 -13.190 2.643 264 HB2 LYS 31 2HB LYS 31 -3.111 -13.199 0.217 265 HB3 LYS 31 1HB LYS 31 -1.411 -13.131 0.680 266 HG2 LYS 31 2HG LYS 31 -1.626 -15.248 1.891 267 HG3 LYS 31 1HG LYS 31 -3.349 -15.311 1.511 268 HD2 LYS 31 2HD LYS 31 -2.797 -15.350 -0.907 269 HD3 LYS 31 1HD LYS 31 -1.079 -15.348 -0.497 270 HE2 LYS 31 2HE LYS 31 -3.028 -17.452 0.472 271 HE3 LYS 31 1HE LYS 31 -2.016 -17.644 -0.960 272 HZ1 LYS 31 1HZ LYS 31 -1.149 -17.313 1.854 273 HZ2 LYS 31 2HZ LYS 31 -0.085 -17.128 0.541 274 HZ3 LYS 31 3HZ LYS 31 -0.848 -18.622 0.818 275 H SER 32 H SER 32 -0.506 -11.687 2.515 276 HA SER 32 HA SER 32 0.859 -13.533 4.147 277 HB2 SER 32 2HB SER 32 1.337 -10.580 3.709 278 HB3 SER 32 1HB SER 32 2.475 -11.672 4.496 279 HG SER 32 HG SER 32 1.903 -12.915 2.345 280 H GLY 33 H GLY 33 -1.059 -10.680 4.906 281 HA2 GLY 33 2HA GLY 33 -2.308 -10.430 6.900 282 HA3 GLY 33 1HA GLY 33 -1.240 -11.579 7.692 283 H ALA 34 H ALA 34 0.587 -9.430 5.896 284 HA ALA 34 HA ALA 34 1.967 -8.322 8.020 285 HB1 ALA 34 1HB ALA 34 1.486 -7.323 5.219 286 HB2 ALA 34 2HB ALA 34 2.922 -8.119 5.863 287 HB3 ALA 34 3HB ALA 34 2.535 -6.467 6.348 288 H THR 35 H THR 35 2.059 -5.689 8.061 289 HA THR 35 HA THR 35 -0.626 -4.869 8.995 290 HB THR 35 HB THR 35 0.522 -3.320 10.452 291 HG1 THR 35 1HG THR 35 2.592 -2.865 10.205 292 HG21 THR 35 1HG2 THR 35 1.901 -6.026 10.491 293 HG22 THR 35 2HG2 THR 35 0.315 -5.687 11.186 294 HG23 THR 35 3HG2 THR 35 1.753 -4.915 11.853 295 H TYR 36 H TYR 36 -1.398 -2.803 8.478 296 HA TYR 36 HA TYR 36 -0.999 -1.945 5.849 297 HB2 TYR 36 2HB TYR 36 -2.033 -0.254 8.133 298 HB3 TYR 36 1HB TYR 36 -2.401 -0.077 6.416 299 HD1 TYR 36 1HD TYR 36 -3.171 -2.500 5.315 300 HD2 TYR 36 2HD TYR 36 -3.730 -1.248 9.391 301 HE1 TYR 36 1HE TYR 36 -5.038 -4.119 5.556 302 HE2 TYR 36 2HE TYR 36 -5.595 -2.868 9.627 303 HH TYR 36 HH TYR 36 -6.221 -5.131 8.425 304 H GLU 37 H GLU 37 0.362 -0.724 8.888 305 HA GLU 37 HA GLU 37 1.707 1.513 7.836 306 HB2 GLU 37 2HB GLU 37 1.300 1.116 10.243 307 HB3 GLU 37 1HB GLU 37 2.459 -0.214 10.194 308 HG2 GLU 37 2HG GLU 37 4.248 1.320 9.548 309 HG3 GLU 37 1HG GLU 37 3.105 2.664 9.490 310 H GLN 38 H GLN 38 2.893 -1.790 8.523 311 HA GLN 38 HA GLN 38 5.518 -1.398 7.625 312 HB2 GLN 38 2HB GLN 38 4.871 -3.342 8.890 313 HB3 GLN 38 1HB GLN 38 3.791 -3.879 7.612 314 HG2 GLN 38 2HG GLN 38 5.673 -4.211 6.104 315 HG3 GLN 38 1HG GLN 38 6.786 -3.549 7.300 316 HE21 GLN 38 1HE2 GLN 38 4.998 -6.414 6.372 317 HE22 GLN 38 2HE2 GLN 38 5.565 -7.405 7.629 318 H ILE 39 H ILE 39 2.606 -2.377 5.853 319 HA ILE 39 HA ILE 39 3.895 -2.953 3.422 320 HB ILE 39 HB ILE 39 1.029 -2.133 3.973 321 HG12 ILE 39 2HG1 ILE 39 2.099 -4.864 3.269 322 HG13 ILE 39 1HG1 ILE 39 2.112 -4.310 4.937 323 HG21 ILE 39 1HG2 ILE 39 0.563 -3.117 1.747 324 HG22 ILE 39 2HG2 ILE 39 2.293 -3.383 1.493 325 HG23 ILE 39 3HG2 ILE 39 1.649 -1.737 1.592 326 HD11 ILE 39 1HD1 ILE 39 -0.341 -3.826 4.748 327 HD12 ILE 39 2HD1 ILE 39 0.034 -5.532 4.558 328 HD13 ILE 39 3HD1 ILE 39 -0.324 -4.542 3.145 329 H LYS 40 H LYS 40 2.382 0.152 4.575 330 HA LYS 40 HA LYS 40 3.019 1.423 2.081 331 HB2 LYS 40 2HB LYS 40 2.853 3.607 3.180 332 HB3 LYS 40 1HB LYS 40 1.392 2.601 3.400 333 HG2 LYS 40 2HG LYS 40 2.065 2.032 5.652 334 HG3 LYS 40 1HG LYS 40 3.630 2.814 5.435 335 HD2 LYS 40 2HD LYS 40 2.477 4.998 5.113 336 HD3 LYS 40 1HD LYS 40 0.928 4.204 5.376 337 HE2 LYS 40 2HE LYS 40 1.996 5.403 7.398 338 HE3 LYS 40 1HE LYS 40 1.413 3.762 7.654 339 HZ1 LYS 40 1HZ LYS 40 3.674 4.182 8.539 340 HZ2 LYS 40 2HZ LYS 40 4.215 4.442 6.950 341 HZ3 LYS 40 3HZ LYS 40 3.617 2.921 7.407 342 H GLU 41 H GLU 41 4.755 0.935 5.106 343 HA GLU 41 HA GLU 41 6.837 2.724 4.702 344 HB2 GLU 41 2HB GLU 41 6.541 1.434 6.775 345 HB3 GLU 41 1HB GLU 41 7.027 -0.027 5.918 346 HG2 GLU 41 2HG GLU 41 9.205 0.961 5.422 347 HG3 GLU 41 1HG GLU 41 8.721 2.464 6.208 348 H TRP 42 H TRP 42 6.555 -0.682 3.636 349 HA TRP 42 HA TRP 42 9.018 -0.808 2.271 350 HB2 TRP 42 2HB TRP 42 6.385 -2.169 1.657 351 HB3 TRP 42 1HB TRP 42 7.906 -2.590 0.893 352 HD1 TRP 42 HD TRP 42 9.602 -2.376 3.774 353 HE1 TRP 42 1HE TRP 42 9.354 -4.350 5.401 354 HE3 TRP 42 3HE TRP 42 5.276 -4.449 2.000 355 HZ2 TRP 42 2HZ TRP 42 7.542 -6.531 5.901 356 HZ3 TRP 42 3HZ TRP 42 4.315 -6.466 3.067 357 HH2 TRP 42 HH TRP 42 5.440 -7.511 5.011 358 H ILE 43 H ILE 43 5.801 0.152 1.201 359 HA ILE 43 HA ILE 43 6.440 0.497 -1.524 360 HB ILE 43 HB ILE 43 4.314 1.769 0.194 361 HG12 ILE 43 2HG1 ILE 43 4.156 -0.433 -1.881 362 HG13 ILE 43 1HG1 ILE 43 4.357 -0.730 -0.152 363 HG21 ILE 43 1HG2 ILE 43 4.626 3.226 -1.722 364 HG22 ILE 43 2HG2 ILE 43 3.189 2.249 -2.009 365 HG23 ILE 43 3HG2 ILE 43 4.707 1.839 -2.816 366 HD11 ILE 43 1HD1 ILE 43 2.238 0.164 0.366 367 HD12 ILE 43 2HD1 ILE 43 1.947 -0.761 -1.094 368 HD13 ILE 43 3HD1 ILE 43 2.108 0.995 -1.179 369 H GLU 44 H GLU 44 6.405 2.883 1.094 370 HA GLU 44 HA GLU 44 7.100 4.971 -0.665 371 HB2 GLU 44 2HB GLU 44 7.285 6.385 1.257 372 HB3 GLU 44 1HB GLU 44 5.861 5.337 1.451 373 HG2 GLU 44 2HG GLU 44 6.666 4.552 3.401 374 HG3 GLU 44 1HG GLU 44 8.151 4.021 2.631 375 H ASN 45 H ASN 45 9.032 2.730 1.303 376 HA ASN 45 HA ASN 45 11.499 4.057 0.984 377 HB2 ASN 45 2HB ASN 45 11.167 2.241 2.599 378 HB3 ASN 45 1HB ASN 45 10.905 1.103 1.276 379 HD21 ASN 45 1HD2 ASN 45 12.798 -0.184 1.638 380 HD22 ASN 45 2HD2 ASN 45 14.370 0.431 1.460 381 H ALA 46 H ALA 46 9.824 1.606 -1.023 382 HA ALA 46 HA ALA 46 11.915 1.268 -2.900 383 HB1 ALA 46 1HB ALA 46 10.262 0.177 -4.280 384 HB2 ALA 46 2HB ALA 46 8.945 0.955 -3.399 385 HB3 ALA 46 3HB ALA 46 9.940 -0.260 -2.602 386 H LEU 47 H LEU 47 9.125 3.451 -2.751 387 HA LEU 47 HA LEU 47 9.379 4.636 -5.277 388 HB2 LEU 47 2HB LEU 47 7.547 4.829 -3.426 389 HB3 LEU 47 1HB LEU 47 8.535 6.169 -2.836 390 HG LEU 47 HG LEU 47 7.553 5.944 -5.699 391 HD11 LEU 47 1HD1 LEU 47 6.445 7.715 -3.505 392 HD12 LEU 47 2HD1 LEU 47 5.714 6.181 -3.973 393 HD13 LEU 47 3HD1 LEU 47 5.808 7.502 -5.136 394 HD21 LEU 47 1HD2 LEU 47 8.043 8.577 -5.289 395 HD22 LEU 47 2HD2 LEU 47 9.279 7.465 -5.863 396 HD23 LEU 47 3HD2 LEU 47 9.214 7.899 -4.157 397 H GLY 48 H GLY 48 10.833 5.555 -2.122 398 HA2 GLY 48 2HA GLY 48 12.136 7.892 -3.023 399 HA3 GLY 48 1HA GLY 48 12.599 6.941 -1.611 400 H TRP 49 H TRP 49 13.165 4.510 -2.846 401 HA TRP 49 HA TRP 49 15.843 4.887 -3.653 402 HB2 TRP 49 2HB TRP 49 13.979 2.514 -3.852 403 HB3 TRP 49 1HB TRP 49 15.666 2.449 -4.361 404 HD1 TRP 49 HD TRP 49 15.223 4.726 -1.464 405 HE1 TRP 49 1HE TRP 49 16.042 3.578 0.693 406 HE3 TRP 49 3HE TRP 49 15.679 -0.076 -3.138 407 HZ2 TRP 49 2HZ TRP 49 16.789 0.969 1.591 408 HZ3 TRP 49 3HZ TRP 49 16.448 -1.873 -1.612 409 HH2 TRP 49 HH TRP 49 17.004 -1.356 0.749 410 H ARG 50 H ARG 50 12.867 4.346 -5.493 411 HA ARG 50 HA ARG 50 14.205 4.159 -8.022 412 HB2 ARG 50 2HB ARG 50 11.309 4.595 -7.267 413 HB3 ARG 50 1HB ARG 50 11.868 4.460 -8.935 414 HG2 ARG 50 2HG ARG 50 12.783 2.237 -8.488 415 HG3 ARG 50 1HG ARG 50 12.329 2.367 -6.789 416 HD2 ARG 50 2HD ARG 50 9.954 2.535 -7.434 417 HD3 ARG 50 1HD ARG 50 10.405 2.401 -9.131 418 HE ARG 50 HE ARG 50 10.408 0.248 -7.156 419 HH11 ARG 50 1HH1 ARG 50 10.773 -1.825 -8.015 420 HH12 ARG 50 2HH1 ARG 50 11.260 -1.996 -9.669 421 HH21 ARG 50 1HH2 ARG 50 11.284 1.411 -10.296 422 HH22 ARG 50 2HH2 ARG 50 11.549 -0.168 -10.955 Start of MODEL 2 1 H FME 1 H FME 1 -11.899 -5.117 1.712 2 HCN FME 1 HF FME 1 -12.031 -4.338 3.906 3 HA FME 1 HA FME 1 -9.381 -4.075 1.219 4 HB2 FME 1 1HB FME 1 -11.618 -3.979 -0.803 5 HB3 FME 1 2HB FME 1 -10.875 -5.500 -0.306 6 HG2 FME 1 1HG FME 1 -8.649 -4.567 -0.957 7 HG3 FME 1 2HG FME 1 -9.464 -3.121 -1.558 8 HE1 FME 1 1HE FME 1 -8.057 -3.576 -3.386 9 HE2 FME 1 2HE FME 1 -8.595 -4.407 -4.844 10 HE3 FME 1 3HE FME 1 -7.636 -5.275 -3.647 11 H ALA 2 H ALA 2 -12.519 -2.459 1.128 12 HA ALA 2 HA ALA 2 -11.648 -0.008 0.019 13 HB1 ALA 2 1HB ALA 2 -13.754 0.874 0.690 14 HB2 ALA 2 2HB ALA 2 -13.915 -0.302 1.995 15 HB3 ALA 2 3HB ALA 2 -14.054 -0.821 0.314 16 H GLY 3 H GLY 3 -11.842 -1.170 3.365 17 HA2 GLY 3 2HA GLY 3 -11.239 1.277 4.639 18 HA3 GLY 3 1HA GLY 3 -10.953 -0.320 5.325 19 H LEU 4 H LEU 4 -9.181 -1.322 3.413 20 HA LEU 4 HA LEU 4 -6.714 -0.328 4.340 21 HB2 LEU 4 2HB LEU 4 -6.939 -2.602 3.537 22 HB3 LEU 4 1HB LEU 4 -7.413 -2.042 1.940 23 HG LEU 4 HG LEU 4 -4.999 -2.814 2.177 24 HD11 LEU 4 1HD1 LEU 4 -6.038 -0.870 0.565 25 HD12 LEU 4 2HD1 LEU 4 -4.380 -1.453 0.471 26 HD13 LEU 4 3HD1 LEU 4 -4.739 0.022 1.357 27 HD21 LEU 4 1HD2 LEU 4 -4.503 -0.157 3.511 28 HD22 LEU 4 2HD2 LEU 4 -3.427 -1.550 3.388 29 HD23 LEU 4 3HD2 LEU 4 -4.822 -1.606 4.466 30 H LEU 5 H LEU 5 -8.487 0.207 1.296 31 HA LEU 5 HA LEU 5 -6.541 1.814 0.035 32 HB2 LEU 5 2HB LEU 5 -9.552 1.742 -0.250 33 HB3 LEU 5 1HB LEU 5 -8.491 2.679 -1.301 34 HG LEU 5 HG LEU 5 -8.232 -0.303 -0.850 35 HD11 LEU 5 1HD1 LEU 5 -9.454 1.187 -3.193 36 HD12 LEU 5 2HD1 LEU 5 -10.363 0.301 -1.970 37 HD13 LEU 5 3HD1 LEU 5 -9.275 -0.563 -3.055 38 HD21 LEU 5 1HD2 LEU 5 -6.766 1.746 -2.473 39 HD22 LEU 5 2HD2 LEU 5 -6.989 0.150 -3.185 40 HD23 LEU 5 3HD2 LEU 5 -6.150 0.317 -1.647 41 H ARG 6 H ARG 6 -9.294 2.638 2.119 42 HA ARG 6 HA ARG 6 -9.034 5.428 1.972 43 HB2 ARG 6 2HB ARG 6 -11.010 4.303 2.920 44 HB3 ARG 6 1HB ARG 6 -10.045 3.737 4.278 45 HG2 ARG 6 2HG ARG 6 -9.915 6.673 3.793 46 HG3 ARG 6 1HG ARG 6 -11.495 6.073 4.279 47 HD2 ARG 6 2HD ARG 6 -8.936 5.452 5.779 48 HD3 ARG 6 1HD ARG 6 -10.018 6.776 6.201 49 HE ARG 6 HE ARG 6 -11.553 4.423 6.082 50 HH11 ARG 6 1HH1 ARG 6 -12.080 3.336 8.009 51 HH12 ARG 6 2HH1 ARG 6 -11.122 3.582 9.431 52 HH21 ARG 6 1HH2 ARG 6 -8.932 5.793 7.901 53 HH22 ARG 6 2HH2 ARG 6 -9.343 4.971 9.370 54 H PHE 7 H PHE 7 -7.606 3.079 4.223 55 HA PHE 7 HA PHE 7 -6.281 4.892 5.911 56 HB2 PHE 7 2HB PHE 7 -6.599 2.473 6.372 57 HB3 PHE 7 1HB PHE 7 -5.418 2.098 5.122 58 HD1 PHE 7 1HD PHE 7 -3.089 2.177 5.568 59 HD2 PHE 7 2HD PHE 7 -5.866 3.862 8.382 60 HE1 PHE 7 1HE PHE 7 -1.254 2.431 7.221 61 HE2 PHE 7 2HE PHE 7 -4.036 4.118 10.033 62 HZ PHE 7 HZ PHE 7 -1.734 3.400 9.459 63 H LEU 8 H LEU 8 -5.150 3.258 2.943 64 HA LEU 8 HA LEU 8 -2.533 4.303 3.045 65 HB2 LEU 8 2HB LEU 8 -4.232 3.156 0.854 66 HB3 LEU 8 1HB LEU 8 -2.668 3.870 0.473 67 HG LEU 8 HG LEU 8 -3.118 1.658 2.508 68 HD11 LEU 8 1HD1 LEU 8 -1.663 1.341 -0.103 69 HD12 LEU 8 2HD1 LEU 8 -3.419 1.215 -0.063 70 HD13 LEU 8 3HD1 LEU 8 -2.433 0.107 0.894 71 HD21 LEU 8 1HD2 LEU 8 -0.418 1.650 1.785 72 HD22 LEU 8 2HD2 LEU 8 -1.085 2.339 3.264 73 HD23 LEU 8 3HD2 LEU 8 -0.804 3.370 1.869 74 H LEU 9 H LEU 9 -5.495 5.506 1.510 75 HA LEU 9 HA LEU 9 -4.345 7.721 0.190 76 HB2 LEU 9 2HB LEU 9 -6.726 6.655 0.041 77 HB3 LEU 9 1HB LEU 9 -7.115 7.786 1.332 78 HG LEU 9 HG LEU 9 -5.878 8.571 -1.322 79 HD11 LEU 9 1HD1 LEU 9 -8.738 8.836 -0.347 80 HD12 LEU 9 2HD1 LEU 9 -8.180 7.702 -1.575 81 HD13 LEU 9 3HD1 LEU 9 -8.110 9.437 -1.882 82 HD21 LEU 9 1HD2 LEU 9 -6.953 10.845 -0.381 83 HD22 LEU 9 2HD2 LEU 9 -5.322 10.347 0.056 84 HD23 LEU 9 3HD2 LEU 9 -6.659 10.046 1.165 85 H SER 10 H SER 10 -5.778 7.395 3.434 86 HA SER 10 HA SER 10 -5.596 10.095 4.175 87 HB2 SER 10 2HB SER 10 -6.885 8.439 5.456 88 HB3 SER 10 1HB SER 10 -5.391 7.631 5.923 89 HG SER 10 HG SER 10 -5.377 9.010 7.505 90 H LYS 11 H LYS 11 -3.251 7.433 4.487 91 HA LYS 11 HA LYS 11 -1.335 9.000 5.909 92 HB2 LYS 11 2HB LYS 11 -1.028 6.452 4.315 93 HB3 LYS 11 1HB LYS 11 0.230 7.144 5.333 94 HG2 LYS 11 2HG LYS 11 -2.520 6.323 6.326 95 HG3 LYS 11 1HG LYS 11 -1.074 5.328 6.472 96 HD2 LYS 11 2HD LYS 11 -0.043 7.432 7.645 97 HD3 LYS 11 1HD LYS 11 -1.724 7.923 7.860 98 HE2 LYS 11 2HE LYS 11 -2.234 5.854 9.032 99 HE3 LYS 11 1HE LYS 11 -0.599 5.256 8.747 100 HZ1 LYS 11 1HZ LYS 11 0.130 6.371 10.500 101 HZ2 LYS 11 2HZ LYS 11 -1.472 6.794 10.872 102 HZ3 LYS 11 3HZ LYS 11 -0.517 7.828 9.920 103 H GLY 12 H GLY 12 -1.727 8.191 2.464 104 HA2 GLY 12 2HA GLY 12 -0.424 10.589 1.648 105 HA3 GLY 12 1HA GLY 12 0.621 9.189 1.431 106 H ARG 13 H ARG 13 -0.278 10.786 -0.688 107 HA ARG 13 HA ARG 13 -2.475 9.413 -2.013 108 HB2 ARG 13 2HB ARG 13 -0.631 11.649 -2.892 109 HB3 ARG 13 1HB ARG 13 -1.938 10.998 -3.882 110 HG2 ARG 13 2HG ARG 13 -3.576 11.611 -2.162 111 HG3 ARG 13 1HG ARG 13 -2.284 12.217 -1.126 112 HD2 ARG 13 2HD ARG 13 -2.838 13.278 -3.909 113 HD3 ARG 13 1HD ARG 13 -3.486 14.008 -2.443 114 HE ARG 13 HE ARG 13 -0.701 13.758 -2.140 115 HH11 ARG 13 1HH1 ARG 13 0.605 15.583 -2.470 116 HH12 ARG 13 2HH1 ARG 13 0.012 16.912 -3.407 117 HH21 ARG 13 1HH2 ARG 13 -3.052 15.416 -4.063 118 HH22 ARG 13 2HH2 ARG 13 -2.063 16.817 -4.308 119 H ALA 14 H ALA 14 1.014 9.542 -2.108 120 HA ALA 14 HA ALA 14 1.458 8.270 -4.562 121 HB1 ALA 14 1HB ALA 14 3.007 8.682 -2.053 122 HB2 ALA 14 2HB ALA 14 3.389 9.167 -3.704 123 HB3 ALA 14 3HB ALA 14 3.616 7.491 -3.204 124 H LEU 15 H LEU 15 1.152 6.874 -1.283 125 HA LEU 15 HA LEU 15 1.568 4.184 -2.000 126 HB2 LEU 15 2HB LEU 15 -0.266 5.141 0.197 127 HB3 LEU 15 1HB LEU 15 0.639 3.640 0.129 128 HG LEU 15 HG LEU 15 2.052 6.314 0.117 129 HD11 LEU 15 1HD1 LEU 15 2.339 5.793 2.632 130 HD12 LEU 15 2HD1 LEU 15 0.925 4.757 2.433 131 HD13 LEU 15 3HD1 LEU 15 0.808 6.487 2.105 132 HD21 LEU 15 1HD2 LEU 15 3.794 4.827 1.267 133 HD22 LEU 15 2HD2 LEU 15 3.518 4.520 -0.445 134 HD23 LEU 15 3HD2 LEU 15 2.811 3.455 0.770 135 H TYR 16 H TYR 16 -1.368 6.149 -1.844 136 HA TYR 16 HA TYR 16 -3.271 4.137 -2.329 137 HB2 TYR 16 2HB TYR 16 -3.895 6.337 -1.552 138 HB3 TYR 16 1HB TYR 16 -3.261 7.080 -3.014 139 HD1 TYR 16 1HD TYR 16 -4.793 7.658 -4.632 140 HD2 TYR 16 2HD TYR 16 -5.626 4.301 -2.080 141 HE1 TYR 16 1HE TYR 16 -6.974 7.343 -5.761 142 HE2 TYR 16 2HE TYR 16 -7.809 3.989 -3.212 143 HH TYR 16 HH TYR 16 -8.953 4.529 -5.174 144 H ASN 17 H ASN 17 -1.531 6.281 -4.585 145 HA ASN 17 HA ASN 17 -2.771 5.330 -6.937 146 HB2 ASN 17 2HB ASN 17 -1.465 7.389 -6.916 147 HB3 ASN 17 1HB ASN 17 0.002 6.483 -6.548 148 HD21 ASN 17 1HD2 ASN 17 1.133 6.900 -8.515 149 HD22 ASN 17 2HD2 ASN 17 0.581 6.361 -10.029 150 H TRP 18 H TRP 18 0.105 4.294 -5.186 151 HA TRP 18 HA TRP 18 1.068 2.372 -6.980 152 HB2 TRP 18 2HB TRP 18 2.461 3.018 -5.160 153 HB3 TRP 18 1HB TRP 18 1.218 2.630 -3.976 154 HD1 TRP 18 HD TRP 18 1.143 0.235 -3.043 155 HE1 TRP 18 1HE TRP 18 2.486 -1.927 -3.496 156 HE3 TRP 18 3HE TRP 18 3.769 1.665 -7.190 157 HZ2 TRP 18 2HZ TRP 18 4.425 -2.910 -5.364 158 HZ3 TRP 18 3HZ TRP 18 5.354 0.106 -8.278 159 HH2 TRP 18 HH TRP 18 5.687 -2.179 -7.371 160 H ALA 19 H ALA 19 -1.189 2.031 -4.251 161 HA ALA 19 HA ALA 19 -1.594 -0.738 -4.502 162 HB1 ALA 19 1HB ALA 19 -3.288 1.473 -3.346 163 HB2 ALA 19 2HB ALA 19 -2.324 0.268 -2.488 164 HB3 ALA 19 3HB ALA 19 -3.803 -0.213 -3.321 165 H LYS 20 H LYS 20 -3.280 2.013 -5.953 166 HA LYS 20 HA LYS 20 -5.339 0.528 -7.195 167 HB2 LYS 20 2HB LYS 20 -5.394 2.981 -6.869 168 HB3 LYS 20 1HB LYS 20 -4.118 3.152 -8.078 169 HG2 LYS 20 2HG LYS 20 -5.553 2.077 -9.762 170 HG3 LYS 20 1HG LYS 20 -6.827 1.881 -8.561 171 HD2 LYS 20 2HD LYS 20 -6.957 4.332 -8.291 172 HD3 LYS 20 1HD LYS 20 -5.688 4.530 -9.502 173 HE2 LYS 20 2HE LYS 20 -7.891 4.829 -10.545 174 HE3 LYS 20 1HE LYS 20 -7.122 3.365 -11.164 175 HZ1 LYS 20 1HZ LYS 20 -8.835 3.149 -8.798 176 HZ2 LYS 20 2HZ LYS 20 -8.548 2.020 -10.035 177 HZ3 LYS 20 3HZ LYS 20 -9.580 3.341 -10.309 178 H SER 21 H SER 21 -2.160 1.609 -8.374 179 HA SER 21 HA SER 21 -2.436 0.684 -11.020 180 HB2 SER 21 2HB SER 21 0.023 0.832 -11.101 181 HB3 SER 21 1HB SER 21 -0.692 2.255 -10.350 182 HG SER 21 HG SER 21 1.173 0.939 -9.313 183 H HIS 22 H HIS 22 -1.191 -0.925 -8.093 184 HA HIS 22 HA HIS 22 -1.202 -3.483 -9.603 185 HB2 HIS 22 2HB HIS 22 0.760 -2.458 -7.548 186 HB3 HIS 22 1HB HIS 22 0.622 -4.165 -7.958 187 HD1 HIS 22 1HD HIS 22 1.463 -0.822 -9.539 188 HD2 HIS 22 2HD HIS 22 1.840 -4.888 -10.378 189 HE1 HIS 22 1HE HIS 22 2.910 -0.995 -11.611 190 HE2 HIS 22 2HE HIS 22 3.154 -3.467 -12.133 191 H VAL 23 H VAL 23 -3.342 -3.868 -8.890 192 HA VAL 23 HA VAL 23 -4.083 -3.858 -6.150 193 HB VAL 23 HB VAL 23 -6.011 -5.242 -6.907 194 HG11 VAL 23 1HG1 VAL 23 -5.246 -2.853 -8.608 195 HG12 VAL 23 2HG1 VAL 23 -6.217 -2.846 -7.135 196 HG13 VAL 23 3HG1 VAL 23 -6.855 -3.575 -8.610 197 HG21 VAL 23 1HG2 VAL 23 -6.118 -5.565 -9.455 198 HG22 VAL 23 2HG2 VAL 23 -5.058 -6.657 -8.561 199 HG23 VAL 23 3HG2 VAL 23 -4.376 -5.291 -9.445 200 H GLY 24 H GLY 24 -2.369 -6.047 -8.189 201 HA2 GLY 24 2HA GLY 24 -2.765 -8.465 -6.803 202 HA3 GLY 24 1HA GLY 24 -1.364 -8.082 -7.798 203 H LYS 25 H LYS 25 -0.404 -5.848 -6.361 204 HA LYS 25 HA LYS 25 1.150 -7.100 -4.362 205 HB2 LYS 25 2HB LYS 25 0.561 -4.166 -4.829 206 HB3 LYS 25 1HB LYS 25 1.818 -4.776 -3.755 207 HG2 LYS 25 2HG LYS 25 1.736 -5.656 -6.630 208 HG3 LYS 25 1HG LYS 25 2.453 -4.106 -6.200 209 HD2 LYS 25 2HD LYS 25 3.986 -5.243 -4.637 210 HD3 LYS 25 1HD LYS 25 3.279 -6.798 -5.065 211 HE2 LYS 25 2HE LYS 25 5.312 -6.472 -6.361 212 HE3 LYS 25 1HE LYS 25 3.915 -6.397 -7.438 213 HZ1 LYS 25 1HZ LYS 25 5.412 -4.100 -6.308 214 HZ2 LYS 25 2HZ LYS 25 3.971 -3.957 -7.196 215 HZ3 LYS 25 3HZ LYS 25 5.369 -4.586 -7.931 216 H VAL 26 H VAL 26 -1.764 -5.130 -4.244 217 HA VAL 26 HA VAL 26 -1.948 -4.821 -1.456 218 HB VAL 26 HB VAL 26 -4.098 -4.938 -3.572 219 HG11 VAL 26 1HG1 VAL 26 -5.135 -5.452 -1.440 220 HG12 VAL 26 2HG1 VAL 26 -5.475 -3.762 -1.802 221 HG13 VAL 26 3HG1 VAL 26 -4.218 -4.178 -0.637 222 HG21 VAL 26 1HG2 VAL 26 -3.040 -2.542 -2.066 223 HG22 VAL 26 2HG2 VAL 26 -3.965 -2.567 -3.567 224 HG23 VAL 26 3HG2 VAL 26 -2.284 -3.101 -3.558 225 H TRP 27 H TRP 27 -3.293 -7.235 -3.637 226 HA TRP 27 HA TRP 27 -4.659 -8.747 -1.691 227 HB2 TRP 27 2HB TRP 27 -3.569 -9.450 -4.419 228 HB3 TRP 27 1HB TRP 27 -4.421 -10.625 -3.417 229 HD1 TRP 27 HD TRP 27 -5.093 -8.180 -6.012 230 HE1 TRP 27 1HE TRP 27 -7.574 -7.475 -6.026 231 HE3 TRP 27 3HE TRP 27 -6.564 -10.026 -1.483 232 HZ2 TRP 27 2HZ TRP 27 -9.869 -7.661 -4.338 233 HZ3 TRP 27 3HZ TRP 27 -8.903 -9.744 -0.708 234 HH2 TRP 27 HH TRP 27 -10.555 -8.565 -2.131 235 H GLU 28 H GLU 28 -1.384 -9.021 -3.007 236 HA GLU 28 HA GLU 28 -0.598 -11.374 -1.735 237 HB2 GLU 28 2HB GLU 28 0.650 -10.161 -3.548 238 HB3 GLU 28 1HB GLU 28 1.182 -9.000 -2.331 239 HG2 GLU 28 2HG GLU 28 2.918 -10.651 -2.554 240 HG3 GLU 28 1HG GLU 28 2.115 -10.944 -1.012 241 H TRP 29 H TRP 29 -0.309 -7.974 -0.591 242 HA TRP 29 HA TRP 29 1.037 -8.730 1.807 243 HB2 TRP 29 2HB TRP 29 -0.713 -6.299 1.648 244 HB3 TRP 29 1HB TRP 29 0.722 -6.553 2.612 245 HD1 TRP 29 HD TRP 29 -0.234 -4.514 -0.015 246 HE1 TRP 29 1HE TRP 29 1.658 -3.943 -1.662 247 HE3 TRP 29 3HE TRP 29 3.149 -8.126 1.246 248 HZ2 TRP 29 2HZ TRP 29 4.272 -4.878 -2.346 249 HZ3 TRP 29 3HZ TRP 29 5.321 -8.242 0.094 250 HH2 TRP 29 HH TRP 29 5.898 -6.635 -1.694 251 H LEU 30 H LEU 30 -2.398 -8.301 0.997 252 HA LEU 30 HA LEU 30 -3.330 -8.559 3.669 253 HB2 LEU 30 2HB LEU 30 -4.579 -8.816 0.968 254 HB3 LEU 30 1HB LEU 30 -5.456 -9.490 2.338 255 HG LEU 30 HG LEU 30 -5.154 -7.228 3.493 256 HD11 LEU 30 1HD1 LEU 30 -3.312 -6.569 1.758 257 HD12 LEU 30 2HD1 LEU 30 -4.465 -5.342 2.282 258 HD13 LEU 30 3HD1 LEU 30 -4.679 -6.145 0.728 259 HD21 LEU 30 1HD2 LEU 30 -7.025 -6.232 2.310 260 HD22 LEU 30 2HD2 LEU 30 -7.252 -7.981 2.375 261 HD23 LEU 30 3HD2 LEU 30 -6.691 -7.219 0.885 262 H LYS 31 H LYS 31 -2.745 -10.981 1.135 263 HA LYS 31 HA LYS 31 -3.713 -13.215 2.553 264 HB2 LYS 31 2HB LYS 31 -3.088 -13.244 0.133 265 HB3 LYS 31 1HB LYS 31 -1.390 -13.145 0.605 266 HG2 LYS 31 2HG LYS 31 -1.590 -15.251 1.848 267 HG3 LYS 31 1HG LYS 31 -3.303 -15.345 1.438 268 HD2 LYS 31 2HD LYS 31 -2.723 -15.435 -0.961 269 HD3 LYS 31 1HD LYS 31 -1.009 -15.363 -0.544 270 HE2 LYS 31 2HE LYS 31 -1.227 -17.459 0.734 271 HE3 LYS 31 1HE LYS 31 -2.940 -17.532 0.328 272 HZ1 LYS 31 1HZ LYS 31 -0.987 -17.294 -1.849 273 HZ2 LYS 31 2HZ LYS 31 -2.507 -18.054 -1.836 274 HZ3 LYS 31 3HZ LYS 31 -1.175 -18.799 -1.089 275 H SER 32 H SER 32 -0.513 -11.687 2.453 276 HA SER 32 HA SER 32 0.828 -13.535 4.095 277 HB2 SER 32 2HB SER 32 1.999 -11.844 2.754 278 HB3 SER 32 1HB SER 32 1.316 -10.567 3.756 279 HG SER 32 HG SER 32 3.405 -11.140 4.453 280 H GLY 33 H GLY 33 -1.001 -10.594 4.892 281 HA2 GLY 33 2HA GLY 33 -2.314 -10.450 6.898 282 HA3 GLY 33 1HA GLY 33 -1.189 -11.555 7.681 283 H ALA 34 H ALA 34 0.620 -9.436 5.878 284 HA ALA 34 HA ALA 34 1.916 -8.213 7.992 285 HB1 ALA 34 1HB ALA 34 2.480 -6.399 6.260 286 HB2 ALA 34 2HB ALA 34 1.521 -7.358 5.132 287 HB3 ALA 34 3HB ALA 34 2.957 -8.055 5.882 288 H THR 35 H THR 35 1.966 -5.639 8.102 289 HA THR 35 HA THR 35 -0.776 -4.833 8.855 290 HB THR 35 HB THR 35 0.276 -3.244 10.352 291 HG1 THR 35 1HG THR 35 2.607 -3.269 10.455 292 HG21 THR 35 1HG2 THR 35 1.485 -6.017 10.420 293 HG22 THR 35 2HG2 THR 35 0.043 -5.458 11.265 294 HG23 THR 35 3HG2 THR 35 1.632 -4.867 11.749 295 H TYR 36 H TYR 36 -1.492 -2.706 8.344 296 HA TYR 36 HA TYR 36 -1.042 -1.911 5.702 297 HB2 TYR 36 2HB TYR 36 -2.054 -0.059 7.836 298 HB3 TYR 36 1HB TYR 36 -2.510 -0.133 6.132 299 HD1 TYR 36 1HD TYR 36 -3.130 -2.836 5.533 300 HD2 TYR 36 2HD TYR 36 -3.792 -0.720 9.209 301 HE1 TYR 36 1HE TYR 36 -4.978 -4.396 6.098 302 HE2 TYR 36 2HE TYR 36 -5.639 -2.278 9.778 303 HH TYR 36 HH TYR 36 -6.305 -5.119 7.794 304 H GLU 37 H GLU 37 0.250 -0.676 8.745 305 HA GLU 37 HA GLU 37 1.606 1.546 7.680 306 HB2 GLU 37 2HB GLU 37 2.132 -0.113 10.143 307 HB3 GLU 37 1HB GLU 37 2.989 1.381 9.768 308 HG2 GLU 37 2HG GLU 37 0.894 2.636 9.786 309 HG3 GLU 37 1HG GLU 37 -0.024 1.152 10.042 310 H GLN 38 H GLN 38 2.777 -1.717 8.455 311 HA GLN 38 HA GLN 38 5.416 -1.334 7.611 312 HB2 GLN 38 2HB GLN 38 4.798 -3.244 8.932 313 HB3 GLN 38 1HB GLN 38 3.702 -3.820 7.674 314 HG2 GLN 38 2HG GLN 38 5.554 -4.208 6.164 315 HG3 GLN 38 1HG GLN 38 6.684 -3.466 7.298 316 HE21 GLN 38 1HE2 GLN 38 4.993 -6.415 6.516 317 HE22 GLN 38 2HE2 GLN 38 5.603 -7.335 7.805 318 H ILE 39 H ILE 39 2.543 -2.360 5.779 319 HA ILE 39 HA ILE 39 3.876 -2.985 3.391 320 HB ILE 39 HB ILE 39 1.021 -2.112 3.902 321 HG12 ILE 39 2HG1 ILE 39 2.096 -4.855 3.249 322 HG13 ILE 39 1HG1 ILE 39 2.070 -4.272 4.908 323 HG21 ILE 39 1HG2 ILE 39 0.612 -3.209 1.678 324 HG22 ILE 39 2HG2 ILE 39 2.359 -3.331 1.453 325 HG23 ILE 39 3HG2 ILE 39 1.584 -1.747 1.545 326 HD11 ILE 39 1HD1 ILE 39 -0.374 -3.799 4.638 327 HD12 ILE 39 2HD1 ILE 39 0.016 -5.503 4.508 328 HD13 ILE 39 3HD1 ILE 39 -0.309 -4.554 3.056 329 H LYS 40 H LYS 40 2.402 0.169 4.485 330 HA LYS 40 HA LYS 40 3.116 1.413 1.988 331 HB2 LYS 40 2HB LYS 40 2.925 3.629 3.074 332 HB3 LYS 40 1HB LYS 40 1.456 2.628 3.245 333 HG2 LYS 40 2HG LYS 40 1.987 2.090 5.514 334 HG3 LYS 40 1HG LYS 40 3.601 2.790 5.378 335 HD2 LYS 40 2HD LYS 40 2.526 5.015 4.914 336 HD3 LYS 40 1HD LYS 40 0.959 4.274 5.231 337 HE2 LYS 40 2HE LYS 40 1.550 3.814 7.518 338 HE3 LYS 40 1HE LYS 40 3.231 4.264 7.236 339 HZ1 LYS 40 1HZ LYS 40 1.268 6.290 6.560 340 HZ2 LYS 40 2HZ LYS 40 2.755 6.438 7.373 341 HZ3 LYS 40 3HZ LYS 40 1.374 5.918 8.212 342 H GLU 41 H GLU 41 4.736 0.946 5.063 343 HA GLU 41 HA GLU 41 6.858 2.696 4.734 344 HB2 GLU 41 2HB GLU 41 6.482 1.428 6.797 345 HB3 GLU 41 1HB GLU 41 6.939 -0.058 5.966 346 HG2 GLU 41 2HG GLU 41 9.171 0.871 5.515 347 HG3 GLU 41 1HG GLU 41 8.714 2.374 6.315 348 H TRP 42 H TRP 42 6.553 -0.705 3.677 349 HA TRP 42 HA TRP 42 9.057 -0.865 2.395 350 HB2 TRP 42 2HB TRP 42 6.454 -2.241 1.686 351 HB3 TRP 42 1HB TRP 42 8.019 -2.665 1.014 352 HD1 TRP 42 HD TRP 42 9.594 -2.430 3.926 353 HE1 TRP 42 1HE TRP 42 9.272 -4.380 5.571 354 HE3 TRP 42 3HE TRP 42 5.287 -4.463 2.065 355 HZ2 TRP 42 2HZ TRP 42 7.442 -6.524 6.042 356 HZ3 TRP 42 3HZ TRP 42 4.278 -6.462 3.129 357 HH2 TRP 42 HH TRP 42 5.351 -7.493 5.116 358 H ILE 43 H ILE 43 5.875 0.095 1.190 359 HA ILE 43 HA ILE 43 6.620 0.408 -1.522 360 HB ILE 43 HB ILE 43 4.439 1.680 0.134 361 HG12 ILE 43 2HG1 ILE 43 4.297 -0.483 -1.972 362 HG13 ILE 43 1HG1 ILE 43 4.520 -0.833 -0.258 363 HG21 ILE 43 1HG2 ILE 43 3.367 2.170 -2.088 364 HG22 ILE 43 2HG2 ILE 43 4.897 1.752 -2.865 365 HG23 ILE 43 3HG2 ILE 43 4.807 3.138 -1.775 366 HD11 ILE 43 1HD1 ILE 43 2.407 -0.012 0.319 367 HD12 ILE 43 2HD1 ILE 43 2.096 -0.807 -1.224 368 HD13 ILE 43 3HD1 ILE 43 2.265 0.947 -1.153 369 H GLU 44 H GLU 44 6.532 2.822 1.098 370 HA GLU 44 HA GLU 44 7.285 4.912 -0.635 371 HB2 GLU 44 2HB GLU 44 7.439 6.332 1.290 372 HB3 GLU 44 1HB GLU 44 6.011 5.304 1.450 373 HG2 GLU 44 2HG GLU 44 6.741 4.523 3.427 374 HG3 GLU 44 1HG GLU 44 8.236 3.955 2.695 375 H ASN 45 H ASN 45 9.158 2.669 1.391 376 HA ASN 45 HA ASN 45 11.635 3.998 1.111 377 HB2 ASN 45 2HB ASN 45 11.288 2.172 2.719 378 HB3 ASN 45 1HB ASN 45 11.051 1.043 1.385 379 HD21 ASN 45 1HD2 ASN 45 12.946 -0.218 1.880 380 HD22 ASN 45 2HD2 ASN 45 14.514 0.390 1.664 381 H ALA 46 H ALA 46 9.980 1.544 -0.886 382 HA ALA 46 HA ALA 46 12.081 1.156 -2.732 383 HB1 ALA 46 1HB ALA 46 10.306 -0.444 -2.712 384 HB2 ALA 46 2HB ALA 46 10.203 0.391 -4.261 385 HB3 ALA 46 3HB ALA 46 9.087 0.807 -2.961 386 H LEU 47 H LEU 47 9.332 3.380 -2.662 387 HA LEU 47 HA LEU 47 9.642 4.530 -5.192 388 HB2 LEU 47 2HB LEU 47 7.778 4.756 -3.372 389 HB3 LEU 47 1HB LEU 47 8.744 6.114 -2.801 390 HG LEU 47 HG LEU 47 7.804 5.802 -5.669 391 HD11 LEU 47 1HD1 LEU 47 5.822 6.095 -4.410 392 HD12 LEU 47 2HD1 LEU 47 6.244 7.719 -4.954 393 HD13 LEU 47 3HD1 LEU 47 6.595 7.223 -3.298 394 HD21 LEU 47 1HD2 LEU 47 9.389 7.838 -4.148 395 HD22 LEU 47 2HD2 LEU 47 8.263 8.436 -5.367 396 HD23 LEU 47 3HD2 LEU 47 9.546 7.319 -5.826 397 H GLY 48 H GLY 48 11.057 5.443 -2.042 398 HA2 GLY 48 2HA GLY 48 12.397 7.761 -2.958 399 HA3 GLY 48 1HA GLY 48 12.815 6.829 -1.520 400 H TRP 49 H TRP 49 13.404 4.359 -2.694 401 HA TRP 49 HA TRP 49 16.095 4.719 -3.460 402 HB2 TRP 49 2HB TRP 49 15.490 2.637 -2.473 403 HB3 TRP 49 1HB TRP 49 14.224 2.353 -3.667 404 HD1 TRP 49 HD TRP 49 18.066 2.854 -3.619 405 HE1 TRP 49 1HE TRP 49 19.098 1.335 -5.427 406 HE3 TRP 49 3HE TRP 49 13.816 0.822 -5.613 407 HZ2 TRP 49 2HZ TRP 49 18.242 -0.496 -7.449 408 HZ3 TRP 49 3HZ TRP 49 13.959 -0.807 -7.477 409 HH2 TRP 49 HH TRP 49 16.165 -1.467 -8.396 410 H ARG 50 H ARG 50 13.163 4.128 -5.357 411 HA ARG 50 HA ARG 50 14.442 3.862 -7.874 412 HB2 ARG 50 2HB ARG 50 11.633 4.657 -7.088 413 HB3 ARG 50 1HB ARG 50 12.144 4.464 -8.766 414 HG2 ARG 50 2HG ARG 50 12.794 2.136 -8.322 415 HG3 ARG 50 1HG ARG 50 12.343 2.320 -6.627 416 HD2 ARG 50 2HD ARG 50 10.015 2.758 -7.276 417 HD3 ARG 50 1HD ARG 50 10.453 2.628 -8.978 418 HE ARG 50 HE ARG 50 11.269 0.258 -7.748 419 HH11 ARG 50 1HH1 ARG 50 9.942 -1.591 -7.800 420 HH12 ARG 50 2HH1 ARG 50 8.242 -1.419 -8.085 421 HH21 ARG 50 1HH2 ARG 50 8.370 2.033 -8.367 422 HH22 ARG 50 2HH2 ARG 50 7.352 0.631 -8.404 Start of MODEL 3 1 H FME 1 H FME 1 -12.354 -3.682 1.932 2 HCN FME 1 HF FME 1 -12.133 -5.833 2.811 3 HA FME 1 HA FME 1 -9.645 -3.903 0.966 4 HB2 FME 1 1HB FME 1 -11.882 -3.830 -1.066 5 HB3 FME 1 2HB FME 1 -10.959 -5.278 -0.669 6 HG2 FME 1 1HG FME 1 -8.871 -4.082 -1.297 7 HG3 FME 1 2HG FME 1 -9.835 -2.677 -1.751 8 HE1 FME 1 1HE FME 1 -8.351 -4.905 -4.854 9 HE2 FME 1 2HE FME 1 -7.791 -5.009 -3.186 10 HE3 FME 1 3HE FME 1 -8.063 -3.430 -3.919 11 H ALA 2 H ALA 2 -12.769 -2.268 0.825 12 HA ALA 2 HA ALA 2 -11.894 0.207 -0.188 13 HB1 ALA 2 1HB ALA 2 -14.289 -0.590 0.101 14 HB2 ALA 2 2HB ALA 2 -13.980 1.079 0.576 15 HB3 ALA 2 3HB ALA 2 -14.129 -0.173 1.807 16 H GLY 3 H GLY 3 -12.115 -1.014 3.145 17 HA2 GLY 3 2HA GLY 3 -11.412 1.398 4.427 18 HA3 GLY 3 1HA GLY 3 -11.209 -0.214 5.108 19 H LEU 4 H LEU 4 -9.483 -1.274 3.160 20 HA LEU 4 HA LEU 4 -6.957 -0.498 4.108 21 HB2 LEU 4 2HB LEU 4 -7.570 -2.705 3.125 22 HB3 LEU 4 1HB LEU 4 -7.719 -1.950 1.551 23 HG LEU 4 HG LEU 4 -5.526 -3.256 2.268 24 HD11 LEU 4 1HD1 LEU 4 -5.551 -2.464 0.107 25 HD12 LEU 4 2HD1 LEU 4 -4.233 -1.529 0.792 26 HD13 LEU 4 3HD1 LEU 4 -5.818 -0.793 0.591 27 HD21 LEU 4 1HD2 LEU 4 -4.822 -0.455 3.180 28 HD22 LEU 4 2HD2 LEU 4 -3.769 -1.860 3.141 29 HD23 LEU 4 3HD2 LEU 4 -5.115 -1.807 4.270 30 H LEU 5 H LEU 5 -8.662 0.263 1.083 31 HA LEU 5 HA LEU 5 -6.618 1.811 -0.106 32 HB2 LEU 5 2HB LEU 5 -9.625 1.842 -0.468 33 HB3 LEU 5 1HB LEU 5 -8.506 2.750 -1.480 34 HG LEU 5 HG LEU 5 -8.342 -0.251 -1.068 35 HD11 LEU 5 1HD1 LEU 5 -9.226 -0.242 -3.498 36 HD12 LEU 5 2HD1 LEU 5 -9.769 1.399 -3.153 37 HD13 LEU 5 3HD1 LEU 5 -10.392 0.048 -2.206 38 HD21 LEU 5 1HD2 LEU 5 -6.247 0.339 -1.869 39 HD22 LEU 5 2HD2 LEU 5 -6.845 1.772 -2.697 40 HD23 LEU 5 3HD2 LEU 5 -7.098 0.177 -3.405 41 H ARG 6 H ARG 6 -9.397 2.707 1.948 42 HA ARG 6 HA ARG 6 -9.041 5.496 1.850 43 HB2 ARG 6 2HB ARG 6 -11.061 4.355 2.739 44 HB3 ARG 6 1HB ARG 6 -10.128 3.835 4.139 45 HG2 ARG 6 2HG ARG 6 -10.016 6.758 3.547 46 HG3 ARG 6 1HG ARG 6 -11.592 6.152 4.049 47 HD2 ARG 6 2HD ARG 6 -10.572 5.154 6.058 48 HD3 ARG 6 1HD ARG 6 -8.995 5.754 5.561 49 HE ARG 6 HE ARG 6 -10.963 7.847 5.755 50 HH11 ARG 6 1HH1 ARG 6 -10.651 9.328 7.464 51 HH12 ARG 6 2HH1 ARG 6 -9.583 8.921 8.767 52 HH21 ARG 6 1HH2 ARG 6 -8.762 5.814 7.475 53 HH22 ARG 6 2HH2 ARG 6 -8.518 6.938 8.769 54 H PHE 7 H PHE 7 -7.733 3.057 4.092 55 HA PHE 7 HA PHE 7 -6.418 4.803 5.839 56 HB2 PHE 7 2HB PHE 7 -6.789 2.403 6.289 57 HB3 PHE 7 1HB PHE 7 -5.640 1.993 5.015 58 HD1 PHE 7 1HD PHE 7 -3.286 2.092 5.389 59 HD2 PHE 7 2HD PHE 7 -6.007 3.677 8.309 60 HE1 PHE 7 1HE PHE 7 -1.421 2.301 7.006 61 HE2 PHE 7 2HE PHE 7 -4.141 3.889 9.931 62 HZ PHE 7 HZ PHE 7 -1.849 3.202 9.280 63 H LEU 8 H LEU 8 -5.259 3.182 2.880 64 HA LEU 8 HA LEU 8 -2.606 4.159 3.061 65 HB2 LEU 8 2HB LEU 8 -4.294 3.126 0.806 66 HB3 LEU 8 1HB LEU 8 -2.701 3.807 0.479 67 HG LEU 8 HG LEU 8 -3.011 1.740 2.652 68 HD11 LEU 8 1HD1 LEU 8 -2.546 -0.010 0.941 69 HD12 LEU 8 2HD1 LEU 8 -2.776 1.202 -0.320 70 HD13 LEU 8 3HD1 LEU 8 -4.124 0.749 0.723 71 HD21 LEU 8 1HD2 LEU 8 -0.865 3.133 1.999 72 HD22 LEU 8 2HD2 LEU 8 -0.753 1.969 0.677 73 HD23 LEU 8 3HD2 LEU 8 -0.717 1.410 2.348 74 H LEU 9 H LEU 9 -5.515 5.461 1.485 75 HA LEU 9 HA LEU 9 -4.272 7.669 0.247 76 HB2 LEU 9 2HB LEU 9 -6.671 6.649 0.007 77 HB3 LEU 9 1HB LEU 9 -7.083 7.794 1.282 78 HG LEU 9 HG LEU 9 -5.733 8.524 -1.336 79 HD11 LEU 9 1HD1 LEU 9 -7.943 7.876 -1.893 80 HD12 LEU 9 2HD1 LEU 9 -8.031 9.629 -1.713 81 HD13 LEU 9 3HD1 LEU 9 -8.606 8.580 -0.417 82 HD21 LEU 9 1HD2 LEU 9 -6.539 10.037 1.119 83 HD22 LEU 9 2HD2 LEU 9 -6.734 10.839 -0.440 84 HD23 LEU 9 3HD2 LEU 9 -5.144 10.272 0.068 85 H SER 10 H SER 10 -5.807 7.327 3.448 86 HA SER 10 HA SER 10 -5.556 10.015 4.232 87 HB2 SER 10 2HB SER 10 -5.752 9.143 6.535 88 HB3 SER 10 1HB SER 10 -6.945 8.426 5.454 89 HG SER 10 HG SER 10 -4.565 7.320 6.504 90 H LYS 11 H LYS 11 -3.280 7.277 4.544 91 HA LYS 11 HA LYS 11 -1.357 8.790 6.042 92 HB2 LYS 11 2HB LYS 11 -1.041 6.251 4.432 93 HB3 LYS 11 1HB LYS 11 0.221 6.945 5.445 94 HG2 LYS 11 2HG LYS 11 -2.519 6.130 6.456 95 HG3 LYS 11 1HG LYS 11 -1.076 5.129 6.579 96 HD2 LYS 11 2HD LYS 11 -0.023 7.228 7.743 97 HD3 LYS 11 1HD LYS 11 -1.700 7.714 7.992 98 HE2 LYS 11 2HE LYS 11 -2.182 5.573 9.097 99 HE3 LYS 11 1HE LYS 11 -0.507 5.071 8.858 100 HZ1 LYS 11 1HZ LYS 11 -0.330 5.958 10.921 101 HZ2 LYS 11 2HZ LYS 11 -1.615 7.047 10.700 102 HZ3 LYS 11 3HZ LYS 11 -0.089 7.383 10.032 103 H GLY 12 H GLY 12 -1.695 8.066 2.584 104 HA2 GLY 12 2HA GLY 12 -0.245 10.432 1.875 105 HA3 GLY 12 1HA GLY 12 0.702 8.974 1.608 106 H ARG 13 H ARG 13 -0.002 10.657 -0.489 107 HA ARG 13 HA ARG 13 -2.292 9.491 -1.872 108 HB2 ARG 13 2HB ARG 13 -1.247 12.005 -1.879 109 HB3 ARG 13 1HB ARG 13 -0.457 11.355 -3.310 110 HG2 ARG 13 2HG ARG 13 -3.453 11.211 -2.827 111 HG3 ARG 13 1HG ARG 13 -2.671 12.480 -3.768 112 HD2 ARG 13 2HD ARG 13 -1.670 10.666 -5.210 113 HD3 ARG 13 1HD ARG 13 -2.692 9.516 -4.360 114 HE ARG 13 HE ARG 13 -4.172 11.725 -5.474 115 HH11 ARG 13 1HH1 ARG 13 -5.538 11.186 -7.237 116 HH12 ARG 13 2HH1 ARG 13 -5.344 9.655 -8.023 117 HH21 ARG 13 1HH2 ARG 13 -2.705 8.653 -6.021 118 HH22 ARG 13 2HH2 ARG 13 -3.740 8.222 -7.340 119 H ALA 14 H ALA 14 1.228 9.500 -1.993 120 HA ALA 14 HA ALA 14 1.563 8.188 -4.464 121 HB1 ALA 14 1HB ALA 14 3.769 7.411 -3.275 122 HB2 ALA 14 2HB ALA 14 3.237 8.504 -1.997 123 HB3 ALA 14 3HB ALA 14 3.523 9.120 -3.624 124 H LEU 15 H LEU 15 1.206 6.921 -1.163 125 HA LEU 15 HA LEU 15 1.643 4.198 -1.738 126 HB2 LEU 15 2HB LEU 15 -0.279 5.284 0.325 127 HB3 LEU 15 1HB LEU 15 0.608 3.767 0.373 128 HG LEU 15 HG LEU 15 1.985 6.458 0.329 129 HD11 LEU 15 1HD1 LEU 15 0.970 4.802 2.635 130 HD12 LEU 15 2HD1 LEU 15 0.715 6.518 2.324 131 HD13 LEU 15 3HD1 LEU 15 2.302 5.939 2.828 132 HD21 LEU 15 1HD2 LEU 15 3.765 4.945 1.468 133 HD22 LEU 15 2HD2 LEU 15 3.542 4.783 -0.273 134 HD23 LEU 15 3HD2 LEU 15 2.832 3.600 0.826 135 H TYR 16 H TYR 16 -1.298 6.162 -1.728 136 HA TYR 16 HA TYR 16 -3.160 4.112 -2.275 137 HB2 TYR 16 2HB TYR 16 -3.897 6.245 -1.472 138 HB3 TYR 16 1HB TYR 16 -3.213 7.073 -2.866 139 HD1 TYR 16 1HD TYR 16 -4.643 7.579 -4.631 140 HD2 TYR 16 2HD TYR 16 -5.569 4.271 -2.053 141 HE1 TYR 16 1HE TYR 16 -6.776 7.244 -5.834 142 HE2 TYR 16 2HE TYR 16 -7.706 3.929 -3.264 143 HH TYR 16 HH TYR 16 -8.483 5.748 -6.174 144 H ASN 17 H ASN 17 -1.374 6.294 -4.427 145 HA ASN 17 HA ASN 17 -2.509 5.419 -6.844 146 HB2 ASN 17 2HB ASN 17 -1.179 7.466 -6.700 147 HB3 ASN 17 1HB ASN 17 0.257 6.523 -6.302 148 HD21 ASN 17 1HD2 ASN 17 0.152 8.215 -8.635 149 HD22 ASN 17 2HD2 ASN 17 0.207 7.215 -10.006 150 H TRP 18 H TRP 18 0.361 4.316 -5.057 151 HA TRP 18 HA TRP 18 1.279 2.408 -6.892 152 HB2 TRP 18 2HB TRP 18 2.679 3.029 -5.038 153 HB3 TRP 18 1HB TRP 18 1.460 2.518 -3.870 154 HD1 TRP 18 HD TRP 18 1.355 0.030 -3.227 155 HE1 TRP 18 1HE TRP 18 2.756 -2.043 -3.840 156 HE3 TRP 18 3HE TRP 18 4.089 1.928 -7.099 157 HZ2 TRP 18 2HZ TRP 18 4.768 -2.798 -5.723 158 HZ3 TRP 18 3HZ TRP 18 5.736 0.508 -8.284 159 HH2 TRP 18 HH TRP 18 6.085 -1.852 -7.603 160 H ALA 19 H ALA 19 -1.015 2.052 -4.182 161 HA ALA 19 HA ALA 19 -1.443 -0.716 -4.453 162 HB1 ALA 19 1HB ALA 19 -3.147 1.506 -3.321 163 HB2 ALA 19 2HB ALA 19 -2.193 0.307 -2.448 164 HB3 ALA 19 3HB ALA 19 -3.659 -0.181 -3.294 165 H LYS 20 H LYS 20 -3.118 2.055 -5.904 166 HA LYS 20 HA LYS 20 -5.151 0.590 -7.205 167 HB2 LYS 20 2HB LYS 20 -5.183 3.045 -6.840 168 HB3 LYS 20 1HB LYS 20 -3.901 3.218 -8.043 169 HG2 LYS 20 2HG LYS 20 -5.344 2.157 -9.737 170 HG3 LYS 20 1HG LYS 20 -6.626 1.980 -8.542 171 HD2 LYS 20 2HD LYS 20 -6.708 4.444 -8.280 172 HD3 LYS 20 1HD LYS 20 -5.452 4.608 -9.510 173 HE2 LYS 20 2HE LYS 20 -6.909 3.491 -11.156 174 HE3 LYS 20 1HE LYS 20 -8.166 3.321 -9.932 175 HZ1 LYS 20 1HZ LYS 20 -7.195 6.002 -10.155 176 HZ2 LYS 20 2HZ LYS 20 -8.791 5.421 -10.202 177 HZ3 LYS 20 3HZ LYS 20 -7.848 5.437 -11.615 178 H SER 21 H SER 21 -1.949 1.672 -8.294 179 HA SER 21 HA SER 21 -2.135 0.812 -10.961 180 HB2 SER 21 2HB SER 21 -0.368 2.276 -10.466 181 HB3 SER 21 1HB SER 21 0.164 1.307 -9.095 182 HG SER 21 HG SER 21 1.500 0.541 -10.544 183 H HIS 22 H HIS 22 -0.986 -0.871 -8.040 184 HA HIS 22 HA HIS 22 -1.051 -3.408 -9.575 185 HB2 HIS 22 2HB HIS 22 0.919 -2.562 -7.440 186 HB3 HIS 22 1HB HIS 22 0.816 -4.177 -8.144 187 HD1 HIS 22 1HD HIS 22 1.153 -4.262 -10.842 188 HD2 HIS 22 2HD HIS 22 2.456 -0.795 -8.928 189 HE1 HIS 22 1HE HIS 22 2.726 -3.100 -12.455 190 HE2 HIS 22 2HE HIS 22 3.523 -0.981 -11.302 191 H VAL 23 H VAL 23 -3.118 -3.886 -8.858 192 HA VAL 23 HA VAL 23 -3.882 -3.820 -6.123 193 HB VAL 23 HB VAL 23 -5.802 -5.206 -6.866 194 HG11 VAL 23 1HG1 VAL 23 -6.614 -3.571 -8.637 195 HG12 VAL 23 2HG1 VAL 23 -5.012 -2.837 -8.567 196 HG13 VAL 23 3HG1 VAL 23 -6.043 -2.834 -7.138 197 HG21 VAL 23 1HG2 VAL 23 -4.249 -5.222 -9.470 198 HG22 VAL 23 2HG2 VAL 23 -5.938 -5.707 -9.327 199 HG23 VAL 23 3HG2 VAL 23 -4.683 -6.623 -8.491 200 H GLY 24 H GLY 24 -2.108 -6.015 -8.090 201 HA2 GLY 24 2HA GLY 24 -2.538 -8.415 -6.669 202 HA3 GLY 24 1HA GLY 24 -1.124 -8.052 -7.660 203 H LYS 25 H LYS 25 -0.256 -5.730 -6.175 204 HA LYS 25 HA LYS 25 1.296 -6.983 -4.158 205 HB2 LYS 25 2HB LYS 25 0.718 -4.038 -4.593 206 HB3 LYS 25 1HB LYS 25 2.001 -4.680 -3.574 207 HG2 LYS 25 2HG LYS 25 1.800 -5.411 -6.497 208 HG3 LYS 25 1HG LYS 25 2.634 -3.952 -5.980 209 HD2 LYS 25 2HD LYS 25 4.131 -5.340 -4.553 210 HD3 LYS 25 1HD LYS 25 3.319 -6.791 -5.130 211 HE2 LYS 25 2HE LYS 25 3.978 -6.285 -7.430 212 HE3 LYS 25 1HE LYS 25 4.750 -4.794 -6.893 213 HZ1 LYS 25 1HZ LYS 25 6.216 -6.132 -5.487 214 HZ2 LYS 25 2HZ LYS 25 6.379 -6.536 -7.130 215 HZ3 LYS 25 3HZ LYS 25 5.501 -7.549 -6.085 216 H VAL 26 H VAL 26 -1.638 -5.075 -4.088 217 HA VAL 26 HA VAL 26 -1.924 -4.777 -1.308 218 HB VAL 26 HB VAL 26 -3.930 -4.859 -3.562 219 HG11 VAL 26 1HG1 VAL 26 -4.300 -4.270 -0.608 220 HG12 VAL 26 2HG1 VAL 26 -5.145 -5.480 -1.576 221 HG13 VAL 26 3HG1 VAL 26 -5.449 -3.764 -1.848 222 HG21 VAL 26 1HG2 VAL 26 -2.159 -3.002 -3.303 223 HG22 VAL 26 2HG2 VAL 26 -3.048 -2.522 -1.859 224 HG23 VAL 26 3HG2 VAL 26 -3.841 -2.487 -3.435 225 H TRP 27 H TRP 27 -3.133 -7.201 -3.556 226 HA TRP 27 HA TRP 27 -4.533 -8.789 -1.688 227 HB2 TRP 27 2HB TRP 27 -3.303 -9.384 -4.375 228 HB3 TRP 27 1HB TRP 27 -4.166 -10.614 -3.458 229 HD1 TRP 27 HD TRP 27 -4.782 -8.148 -6.036 230 HE1 TRP 27 1HE TRP 27 -7.277 -7.508 -6.180 231 HE3 TRP 27 3HE TRP 27 -6.464 -10.091 -1.614 232 HZ2 TRP 27 2HZ TRP 27 -9.664 -7.782 -4.640 233 HZ3 TRP 27 3HZ TRP 27 -8.851 -9.888 -0.983 234 HH2 TRP 27 HH TRP 27 -10.453 -8.739 -2.490 235 H GLU 28 H GLU 28 -1.194 -8.967 -2.907 236 HA GLU 28 HA GLU 28 -0.397 -11.310 -1.652 237 HB2 GLU 28 2HB GLU 28 1.126 -8.815 -2.388 238 HB3 GLU 28 1HB GLU 28 1.918 -10.224 -1.686 239 HG2 GLU 28 2HG GLU 28 0.233 -10.280 -4.202 240 HG3 GLU 28 1HG GLU 28 1.992 -10.204 -4.175 241 H TRP 29 H TRP 29 -0.250 -7.928 -0.390 242 HA TRP 29 HA TRP 29 0.978 -8.754 2.056 243 HB2 TRP 29 2HB TRP 29 -0.749 -6.321 1.978 244 HB3 TRP 29 1HB TRP 29 0.753 -6.596 2.833 245 HD1 TRP 29 HD TRP 29 -0.386 -4.509 0.323 246 HE1 TRP 29 1HE TRP 29 1.389 -3.929 -1.451 247 HE3 TRP 29 3HE TRP 29 3.031 -8.169 1.288 248 HZ2 TRP 29 2HZ TRP 29 3.933 -4.887 -2.323 249 HZ3 TRP 29 3HZ TRP 29 5.114 -8.292 -0.010 250 HH2 TRP 29 HH TRP 29 5.570 -6.677 -1.822 251 H LEU 30 H LEU 30 -2.398 -8.319 1.090 252 HA LEU 30 HA LEU 30 -3.470 -8.626 3.693 253 HB2 LEU 30 2HB LEU 30 -4.614 -8.981 0.934 254 HB3 LEU 30 1HB LEU 30 -5.563 -9.410 2.361 255 HG LEU 30 HG LEU 30 -4.229 -6.711 1.976 256 HD11 LEU 30 1HD1 LEU 30 -5.904 -6.753 0.300 257 HD12 LEU 30 2HD1 LEU 30 -6.680 -5.963 1.672 258 HD13 LEU 30 3HD1 LEU 30 -7.026 -7.655 1.320 259 HD21 LEU 30 1HD2 LEU 30 -4.609 -6.727 4.236 260 HD22 LEU 30 2HD2 LEU 30 -5.827 -7.996 4.141 261 HD23 LEU 30 3HD2 LEU 30 -6.256 -6.327 3.767 262 H LYS 31 H LYS 31 -2.716 -11.005 1.183 263 HA LYS 31 HA LYS 31 -3.748 -13.260 2.541 264 HB2 LYS 31 2HB LYS 31 -3.102 -13.244 0.131 265 HB3 LYS 31 1HB LYS 31 -1.408 -13.159 0.618 266 HG2 LYS 31 2HG LYS 31 -1.624 -15.291 1.815 267 HG3 LYS 31 1HG LYS 31 -3.334 -15.372 1.389 268 HD2 LYS 31 2HD LYS 31 -2.735 -15.412 -1.008 269 HD3 LYS 31 1HD LYS 31 -1.024 -15.354 -0.577 270 HE2 LYS 31 2HE LYS 31 -1.704 -17.672 -1.012 271 HE3 LYS 31 1HE LYS 31 -1.292 -17.467 0.690 272 HZ1 LYS 31 1HZ LYS 31 -3.498 -17.494 1.321 273 HZ2 LYS 31 2HZ LYS 31 -3.461 -18.668 0.092 274 HZ3 LYS 31 3HZ LYS 31 -4.067 -17.113 -0.230 275 H SER 32 H SER 32 -0.538 -11.753 2.487 276 HA SER 32 HA SER 32 0.776 -13.628 4.137 277 HB2 SER 32 2HB SER 32 1.331 -10.684 3.724 278 HB3 SER 32 1HB SER 32 2.433 -11.826 4.492 279 HG SER 32 HG SER 32 2.974 -11.712 2.338 280 H GLY 33 H GLY 33 -1.088 -10.730 4.846 281 HA2 GLY 33 2HA GLY 33 -2.341 -10.377 6.816 282 HA3 GLY 33 1HA GLY 33 -1.383 -11.616 7.625 283 H ALA 34 H ALA 34 0.111 -9.113 5.716 284 HA ALA 34 HA ALA 34 1.740 -8.261 7.913 285 HB1 ALA 34 1HB ALA 34 2.877 -8.080 5.915 286 HB2 ALA 34 2HB ALA 34 2.318 -6.416 6.094 287 HB3 ALA 34 3HB ALA 34 1.457 -7.530 5.031 288 H THR 35 H THR 35 2.004 -5.851 8.342 289 HA THR 35 HA THR 35 -0.589 -4.777 9.110 290 HB THR 35 HB THR 35 0.904 -3.013 10.221 291 HG1 THR 35 1HG THR 35 2.742 -3.555 8.883 292 HG21 THR 35 1HG2 THR 35 1.509 -4.603 12.030 293 HG22 THR 35 2HG2 THR 35 1.161 -5.942 10.934 294 HG23 THR 35 3HG2 THR 35 -0.133 -4.854 11.438 295 H TYR 36 H TYR 36 -1.351 -2.724 8.568 296 HA TYR 36 HA TYR 36 -1.022 -1.904 5.903 297 HB2 TYR 36 2HB TYR 36 -2.029 -0.229 8.212 298 HB3 TYR 36 1HB TYR 36 -2.396 0.001 6.502 299 HD1 TYR 36 1HD TYR 36 -3.185 -2.395 5.348 300 HD2 TYR 36 2HD TYR 36 -3.740 -1.223 9.445 301 HE1 TYR 36 1HE TYR 36 -5.076 -3.992 5.554 302 HE2 TYR 36 2HE TYR 36 -5.625 -2.819 9.647 303 HH TYR 36 HH TYR 36 -7.043 -4.148 8.492 304 H GLU 37 H GLU 37 0.396 -0.694 8.901 305 HA GLU 37 HA GLU 37 1.745 1.526 7.811 306 HB2 GLU 37 2HB GLU 37 1.363 1.164 10.248 307 HB3 GLU 37 1HB GLU 37 2.563 -0.127 10.206 308 HG2 GLU 37 2HG GLU 37 4.289 1.447 9.489 309 HG3 GLU 37 1HG GLU 37 3.110 2.753 9.417 310 H GLN 38 H GLN 38 2.919 -1.753 8.531 311 HA GLN 38 HA GLN 38 5.544 -1.349 7.645 312 HB2 GLN 38 2HB GLN 38 4.818 -3.294 8.934 313 HB3 GLN 38 1HB GLN 38 3.906 -3.884 7.548 314 HG2 GLN 38 2HG GLN 38 6.002 -3.978 6.237 315 HG3 GLN 38 1HG GLN 38 6.902 -3.433 7.650 316 HE21 GLN 38 1HE2 GLN 38 8.014 -5.263 8.391 317 HE22 GLN 38 2HE2 GLN 38 7.294 -6.776 8.657 318 H ILE 39 H ILE 39 2.637 -2.326 5.874 319 HA ILE 39 HA ILE 39 3.922 -2.934 3.455 320 HB ILE 39 HB ILE 39 1.077 -2.096 4.057 321 HG12 ILE 39 2HG1 ILE 39 2.124 -4.841 3.359 322 HG13 ILE 39 1HG1 ILE 39 2.176 -4.263 5.019 323 HG21 ILE 39 1HG2 ILE 39 1.672 -1.736 1.651 324 HG22 ILE 39 2HG2 ILE 39 0.558 -3.088 1.855 325 HG23 ILE 39 3HG2 ILE 39 2.273 -3.401 1.578 326 HD11 ILE 39 1HD1 ILE 39 0.098 -5.481 4.701 327 HD12 ILE 39 2HD1 ILE 39 -0.281 -4.516 3.274 328 HD13 ILE 39 3HD1 ILE 39 -0.276 -3.773 4.862 329 H LYS 40 H LYS 40 2.436 0.206 4.600 330 HA LYS 40 HA LYS 40 3.068 1.430 2.077 331 HB2 LYS 40 2HB LYS 40 2.965 3.652 3.177 332 HB3 LYS 40 1HB LYS 40 1.480 2.676 3.387 333 HG2 LYS 40 2HG LYS 40 2.116 2.086 5.638 334 HG3 LYS 40 1HG LYS 40 3.706 2.828 5.436 335 HD2 LYS 40 2HD LYS 40 2.576 5.015 5.015 336 HD3 LYS 40 1HD LYS 40 1.032 4.252 5.380 337 HE2 LYS 40 2HE LYS 40 1.730 3.787 7.648 338 HE3 LYS 40 1HE LYS 40 3.369 4.346 7.305 339 HZ1 LYS 40 1HZ LYS 40 1.539 5.905 8.363 340 HZ2 LYS 40 2HZ LYS 40 1.168 6.172 6.726 341 HZ3 LYS 40 3HZ LYS 40 2.729 6.501 7.314 342 H GLU 41 H GLU 41 4.823 0.926 5.086 343 HA GLU 41 HA GLU 41 6.933 2.676 4.688 344 HB2 GLU 41 2HB GLU 41 6.593 1.354 6.741 345 HB3 GLU 41 1HB GLU 41 7.099 -0.093 5.867 346 HG2 GLU 41 2HG GLU 41 9.277 0.928 5.396 347 HG3 GLU 41 1HG GLU 41 8.777 2.406 6.218 348 H TRP 42 H TRP 42 6.608 -0.719 3.629 349 HA TRP 42 HA TRP 42 9.074 -0.857 2.265 350 HB2 TRP 42 2HB TRP 42 6.459 -2.263 1.673 351 HB3 TRP 42 1HB TRP 42 8.000 -2.685 0.946 352 HD1 TRP 42 HD TRP 42 9.730 -2.428 3.745 353 HE1 TRP 42 1HE TRP 42 9.485 -4.353 5.435 354 HE3 TRP 42 3HE TRP 42 5.280 -4.403 2.194 355 HZ2 TRP 42 2HZ TRP 42 7.647 -6.463 6.050 356 HZ3 TRP 42 3HZ TRP 42 4.285 -6.359 3.350 357 HH2 TRP 42 HH TRP 42 5.477 -7.395 5.276 358 H ILE 43 H ILE 43 5.843 0.097 1.211 359 HA ILE 43 HA ILE 43 6.450 0.406 -1.521 360 HB ILE 43 HB ILE 43 4.362 1.711 0.216 361 HG12 ILE 43 2HG1 ILE 43 4.121 -0.483 -1.867 362 HG13 ILE 43 1HG1 ILE 43 4.315 -0.793 -0.141 363 HG21 ILE 43 1HG2 ILE 43 4.609 3.186 -1.636 364 HG22 ILE 43 2HG2 ILE 43 3.245 2.145 -2.048 365 HG23 ILE 43 3HG2 ILE 43 4.830 1.851 -2.766 366 HD11 ILE 43 1HD1 ILE 43 2.227 0.121 0.396 367 HD12 ILE 43 2HD1 ILE 43 1.903 -0.697 -1.132 368 HD13 ILE 43 3HD1 ILE 43 2.141 1.051 -1.098 369 H GLU 44 H GLU 44 6.498 2.841 1.089 370 HA GLU 44 HA GLU 44 7.222 4.910 -0.683 371 HB2 GLU 44 2HB GLU 44 7.445 6.324 1.244 372 HB3 GLU 44 1HB GLU 44 6.011 5.305 1.443 373 HG2 GLU 44 2HG GLU 44 6.796 4.518 3.395 374 HG3 GLU 44 1HG GLU 44 8.260 3.940 2.614 375 H ASN 45 H ASN 45 9.146 2.639 1.274 376 HA ASN 45 HA ASN 45 11.638 3.930 0.924 377 HB2 ASN 45 2HB ASN 45 11.313 2.125 2.553 378 HB3 ASN 45 1HB ASN 45 10.984 0.992 1.243 379 HD21 ASN 45 1HD2 ASN 45 12.802 -0.327 1.054 380 HD22 ASN 45 2HD2 ASN 45 14.405 0.230 1.041 381 H ALA 46 H ALA 46 9.868 1.506 -1.027 382 HA ALA 46 HA ALA 46 11.901 1.124 -2.964 383 HB1 ALA 46 1HB ALA 46 9.907 -0.366 -2.653 384 HB2 ALA 46 2HB ALA 46 10.157 0.127 -4.326 385 HB3 ALA 46 3HB ALA 46 8.903 0.900 -3.357 386 H LEU 47 H LEU 47 9.145 3.349 -2.765 387 HA LEU 47 HA LEU 47 9.356 4.521 -5.295 388 HB2 LEU 47 2HB LEU 47 7.568 4.736 -3.388 389 HB3 LEU 47 1HB LEU 47 8.564 6.095 -2.866 390 HG LEU 47 HG LEU 47 7.455 5.767 -5.667 391 HD11 LEU 47 1HD1 LEU 47 6.503 7.493 -3.359 392 HD12 LEU 47 2HD1 LEU 47 5.657 6.096 -4.023 393 HD13 LEU 47 3HD1 LEU 47 5.865 7.546 -5.003 394 HD21 LEU 47 1HD2 LEU 47 8.006 8.387 -5.446 395 HD22 LEU 47 2HD2 LEU 47 9.229 7.228 -5.961 396 HD23 LEU 47 3HD2 LEU 47 9.192 7.785 -4.288 397 H GLY 48 H GLY 48 10.903 5.461 -2.185 398 HA2 GLY 48 2HA GLY 48 12.200 7.765 -3.167 399 HA3 GLY 48 1HA GLY 48 12.695 6.839 -1.752 400 H TRP 49 H TRP 49 13.191 4.362 -2.978 401 HA TRP 49 HA TRP 49 15.846 4.680 -3.899 402 HB2 TRP 49 2HB TRP 49 15.235 2.617 -2.845 403 HB3 TRP 49 1HB TRP 49 13.919 2.350 -3.988 404 HD1 TRP 49 HD TRP 49 14.466 0.943 -6.044 405 HE1 TRP 49 1HE TRP 49 16.624 0.067 -7.154 406 HE3 TRP 49 3HE TRP 49 17.954 3.345 -3.194 407 HZ2 TRP 49 2HZ TRP 49 19.455 0.355 -6.868 408 HZ3 TRP 49 3HZ TRP 49 20.372 3.025 -3.632 409 HH2 TRP 49 HH TRP 49 21.126 1.534 -5.465 410 H ARG 50 H ARG 50 12.779 4.128 -5.586 411 HA ARG 50 HA ARG 50 14.106 4.133 -8.189 412 HB2 ARG 50 2HB ARG 50 12.172 2.593 -7.584 413 HB3 ARG 50 1HB ARG 50 11.136 4.020 -7.649 414 HG2 ARG 50 2HG ARG 50 11.850 4.436 -9.975 415 HG3 ARG 50 1HG ARG 50 12.887 3.011 -9.911 416 HD2 ARG 50 2HD ARG 50 10.799 2.406 -10.998 417 HD3 ARG 50 1HD ARG 50 10.873 1.618 -9.424 418 HE ARG 50 HE ARG 50 9.557 4.122 -9.188 419 HH11 ARG 50 1HH1 ARG 50 7.300 4.125 -8.991 420 HH12 ARG 50 2HH1 ARG 50 6.390 2.733 -9.476 421 HH21 ARG 50 1HH2 ARG 50 9.187 0.916 -10.432 422 HH22 ARG 50 2HH2 ARG 50 7.461 0.913 -10.293 Start of MODEL 4 1 H FME 1 H FME 1 -12.040 -4.837 1.372 2 HCN FME 1 HF FME 1 -12.184 -3.963 3.533 3 HA FME 1 HA FME 1 -9.590 -3.788 0.763 4 HB2 FME 1 1HB FME 1 -11.891 -3.583 -1.180 5 HB3 FME 1 2HB FME 1 -11.192 -5.140 -0.724 6 HG2 FME 1 1HG FME 1 -8.963 -4.338 -1.453 7 HG3 FME 1 2HG FME 1 -9.682 -2.804 -1.938 8 HE1 FME 1 1HE FME 1 -8.297 -3.452 -4.054 9 HE2 FME 1 2HE FME 1 -8.782 -4.639 -5.263 10 HE3 FME 1 3HE FME 1 -8.017 -5.176 -3.768 11 H ALA 2 H ALA 2 -12.692 -2.083 0.819 12 HA ALA 2 HA ALA 2 -11.761 0.385 -0.203 13 HB1 ALA 2 1HB ALA 2 -14.029 -0.001 1.760 14 HB2 ALA 2 2HB ALA 2 -14.176 -0.339 0.037 15 HB3 ALA 2 3HB ALA 2 -13.834 1.303 0.582 16 H GLY 3 H GLY 3 -11.928 -0.970 3.060 17 HA2 GLY 3 2HA GLY 3 -11.255 1.363 4.485 18 HA3 GLY 3 1HA GLY 3 -10.971 -0.283 5.037 19 H LEU 4 H LEU 4 -9.225 -1.194 3.111 20 HA LEU 4 HA LEU 4 -6.734 -0.282 4.041 21 HB2 LEU 4 2HB LEU 4 -7.127 -2.512 3.040 22 HB3 LEU 4 1HB LEU 4 -7.390 -1.744 1.474 23 HG LEU 4 HG LEU 4 -4.964 -0.693 1.990 24 HD11 LEU 4 1HD1 LEU 4 -4.797 -3.356 3.375 25 HD12 LEU 4 2HD1 LEU 4 -4.974 -1.831 4.247 26 HD13 LEU 4 3HD1 LEU 4 -3.553 -2.116 3.232 27 HD21 LEU 4 1HD2 LEU 4 -5.528 -2.073 0.049 28 HD22 LEU 4 2HD2 LEU 4 -5.437 -3.521 1.046 29 HD23 LEU 4 3HD2 LEU 4 -3.984 -2.571 0.739 30 H LEU 5 H LEU 5 -8.534 0.425 1.056 31 HA LEU 5 HA LEU 5 -6.569 2.035 -0.171 32 HB2 LEU 5 2HB LEU 5 -9.589 2.056 -0.420 33 HB3 LEU 5 1HB LEU 5 -8.507 2.967 -1.472 34 HG LEU 5 HG LEU 5 -8.410 -0.031 -1.074 35 HD11 LEU 5 1HD1 LEU 5 -10.456 0.719 -2.246 36 HD12 LEU 5 2HD1 LEU 5 -9.376 -0.172 -3.315 37 HD13 LEU 5 3HD1 LEU 5 -9.457 1.588 -3.412 38 HD21 LEU 5 1HD2 LEU 5 -7.067 0.386 -3.362 39 HD22 LEU 5 2HD2 LEU 5 -6.268 0.460 -1.796 40 HD23 LEU 5 3HD2 LEU 5 -6.760 1.949 -2.600 41 H ARG 6 H ARG 6 -9.298 2.861 1.975 42 HA ARG 6 HA ARG 6 -8.959 5.655 1.899 43 HB2 ARG 6 2HB ARG 6 -10.953 4.509 2.831 44 HB3 ARG 6 1HB ARG 6 -9.985 3.959 4.196 45 HG2 ARG 6 2HG ARG 6 -9.874 6.894 3.653 46 HG3 ARG 6 1HG ARG 6 -11.434 6.288 4.194 47 HD2 ARG 6 2HD ARG 6 -10.360 5.235 6.145 48 HD3 ARG 6 1HD ARG 6 -8.792 5.844 5.609 49 HE ARG 6 HE ARG 6 -10.719 7.952 5.884 50 HH11 ARG 6 1HH1 ARG 6 -10.415 9.387 7.627 51 HH12 ARG 6 2HH1 ARG 6 -9.373 8.942 8.938 52 HH21 ARG 6 1HH2 ARG 6 -8.567 5.838 7.597 53 HH22 ARG 6 2HH2 ARG 6 -8.330 6.928 8.922 54 H PHE 7 H PHE 7 -7.585 3.206 4.037 55 HA PHE 7 HA PHE 7 -6.221 4.917 5.793 56 HB2 PHE 7 2HB PHE 7 -6.640 2.488 6.150 57 HB3 PHE 7 1HB PHE 7 -5.426 2.129 4.921 58 HD1 PHE 7 1HD PHE 7 -3.142 2.087 5.454 59 HD2 PHE 7 2HD PHE 7 -5.927 3.881 8.186 60 HE1 PHE 7 1HE PHE 7 -1.344 2.286 7.151 61 HE2 PHE 7 2HE PHE 7 -4.128 4.081 9.887 62 HZ PHE 7 HZ PHE 7 -1.839 3.278 9.370 63 H LEU 8 H LEU 8 -5.130 3.341 2.802 64 HA LEU 8 HA LEU 8 -2.480 4.278 2.886 65 HB2 LEU 8 2HB LEU 8 -4.265 3.399 0.610 66 HB3 LEU 8 1HB LEU 8 -2.577 3.843 0.371 67 HG LEU 8 HG LEU 8 -3.241 1.859 2.533 68 HD11 LEU 8 1HD1 LEU 8 -4.469 1.056 0.543 69 HD12 LEU 8 2HD1 LEU 8 -3.073 0.032 0.880 70 HD13 LEU 8 3HD1 LEU 8 -2.998 1.216 -0.420 71 HD21 LEU 8 1HD2 LEU 8 -0.916 2.827 2.057 72 HD22 LEU 8 2HD2 LEU 8 -0.963 1.928 0.542 73 HD23 LEU 8 3HD2 LEU 8 -1.025 1.069 2.083 74 H LEU 9 H LEU 9 -5.420 5.634 1.438 75 HA LEU 9 HA LEU 9 -4.242 7.840 0.154 76 HB2 LEU 9 2HB LEU 9 -6.689 6.857 0.073 77 HB3 LEU 9 1HB LEU 9 -6.986 7.987 1.382 78 HG LEU 9 HG LEU 9 -7.618 9.167 -0.555 79 HD11 LEU 9 1HD1 LEU 9 -6.107 10.997 -0.748 80 HD12 LEU 9 2HD1 LEU 9 -4.737 10.015 -0.250 81 HD13 LEU 9 3HD1 LEU 9 -5.999 10.420 0.913 82 HD21 LEU 9 1HD2 LEU 9 -5.042 8.346 -1.910 83 HD22 LEU 9 2HD2 LEU 9 -6.411 9.182 -2.633 84 HD23 LEU 9 3HD2 LEU 9 -6.576 7.506 -2.119 85 H SER 10 H SER 10 -5.632 7.503 3.412 86 HA SER 10 HA SER 10 -5.352 10.176 4.232 87 HB2 SER 10 2HB SER 10 -5.221 7.658 5.894 88 HB3 SER 10 1HB SER 10 -5.534 9.282 6.505 89 HG SER 10 HG SER 10 -7.506 8.360 6.158 90 H LYS 11 H LYS 11 -3.097 7.425 4.447 91 HA LYS 11 HA LYS 11 -1.142 8.902 5.938 92 HB2 LYS 11 2HB LYS 11 -0.872 6.383 4.289 93 HB3 LYS 11 1HB LYS 11 0.378 7.034 5.340 94 HG2 LYS 11 2HG LYS 11 -2.397 6.272 6.296 95 HG3 LYS 11 1HG LYS 11 -0.993 5.214 6.403 96 HD2 LYS 11 2HD LYS 11 0.135 7.213 7.641 97 HD3 LYS 11 1HD LYS 11 -1.512 7.796 7.866 98 HE2 LYS 11 2HE LYS 11 -2.153 5.727 8.966 99 HE3 LYS 11 1HE LYS 11 -0.555 5.043 8.669 100 HZ1 LYS 11 1HZ LYS 11 -0.010 5.908 10.630 101 HZ2 LYS 11 2HZ LYS 11 -1.410 6.869 10.705 102 HZ3 LYS 11 3HZ LYS 11 -0.037 7.426 9.872 103 H GLY 12 H GLY 12 -1.545 8.221 2.471 104 HA2 GLY 12 2HA GLY 12 -0.189 10.602 1.730 105 HA3 GLY 12 1HA GLY 12 0.864 9.210 1.508 106 H ARG 13 H ARG 13 0.179 10.715 -0.639 107 HA ARG 13 HA ARG 13 -2.076 9.473 -1.997 108 HB2 ARG 13 2HB ARG 13 -1.600 11.897 -2.272 109 HB3 ARG 13 1HB ARG 13 -0.067 11.481 -3.037 110 HG2 ARG 13 2HG ARG 13 -1.277 10.235 -4.795 111 HG3 ARG 13 1HG ARG 13 -2.812 10.661 -4.030 112 HD2 ARG 13 2HD ARG 13 -2.371 12.231 -5.845 113 HD3 ARG 13 1HD ARG 13 -2.252 13.066 -4.299 114 HE ARG 13 HE ARG 13 0.307 12.115 -5.067 115 HH11 ARG 13 1HH1 ARG 13 1.783 13.586 -5.940 116 HH12 ARG 13 2HH1 ARG 13 1.226 15.103 -6.563 117 HH21 ARG 13 1HH2 ARG 13 -2.105 14.474 -5.823 118 HH22 ARG 13 2HH2 ARG 13 -0.980 15.612 -6.484 119 H ALA 14 H ALA 14 1.424 9.373 -1.975 120 HA ALA 14 HA ALA 14 1.827 8.013 -4.405 121 HB1 ALA 14 1HB ALA 14 3.933 7.177 -3.101 122 HB2 ALA 14 2HB ALA 14 3.383 8.297 -1.858 123 HB3 ALA 14 3HB ALA 14 3.766 8.896 -3.474 124 H LEU 15 H LEU 15 1.314 6.821 -1.088 125 HA LEU 15 HA LEU 15 1.626 4.084 -1.602 126 HB2 LEU 15 2HB LEU 15 -0.328 5.325 0.341 127 HB3 LEU 15 1HB LEU 15 0.435 3.742 0.453 128 HG LEU 15 HG LEU 15 1.953 6.362 0.466 129 HD11 LEU 15 1HD1 LEU 15 0.862 4.624 2.674 130 HD12 LEU 15 2HD1 LEU 15 0.690 6.364 2.455 131 HD13 LEU 15 3HD1 LEU 15 2.245 5.687 2.941 132 HD21 LEU 15 1HD2 LEU 15 3.643 4.647 1.552 133 HD22 LEU 15 2HD2 LEU 15 3.495 4.740 -0.201 134 HD23 LEU 15 3HD2 LEU 15 2.686 3.449 0.686 135 H TYR 16 H TYR 16 -1.231 6.168 -1.721 136 HA TYR 16 HA TYR 16 -3.148 4.199 -2.325 137 HB2 TYR 16 2HB TYR 16 -3.794 6.414 -1.576 138 HB3 TYR 16 1HB TYR 16 -3.076 7.149 -3.002 139 HD1 TYR 16 1HD TYR 16 -4.415 7.537 -4.892 140 HD2 TYR 16 2HD TYR 16 -5.623 4.592 -2.012 141 HE1 TYR 16 1HE TYR 16 -6.561 7.253 -6.082 142 HE2 TYR 16 2HE TYR 16 -7.770 4.297 -3.217 143 HH TYR 16 HH TYR 16 -8.926 4.807 -5.085 144 H ASN 17 H ASN 17 -1.208 6.284 -4.470 145 HA ASN 17 HA ASN 17 -2.338 5.379 -6.890 146 HB2 ASN 17 2HB ASN 17 0.315 6.620 -6.187 147 HB3 ASN 17 1HB ASN 17 -0.060 6.122 -7.835 148 HD21 ASN 17 1HD2 ASN 17 -2.807 6.814 -7.948 149 HD22 ASN 17 2HD2 ASN 17 -2.958 8.498 -7.814 150 H TRP 18 H TRP 18 0.440 4.224 -4.992 151 HA TRP 18 HA TRP 18 1.356 2.305 -6.814 152 HB2 TRP 18 2HB TRP 18 2.737 2.905 -4.954 153 HB3 TRP 18 1HB TRP 18 1.496 2.412 -3.800 154 HD1 TRP 18 HD TRP 18 1.334 -0.081 -3.168 155 HE1 TRP 18 1HE TRP 18 2.695 -2.178 -3.773 156 HE3 TRP 18 3HE TRP 18 4.167 1.772 -7.005 157 HZ2 TRP 18 2HZ TRP 18 4.706 -2.972 -5.622 158 HZ3 TRP 18 3HZ TRP 18 5.801 0.312 -8.164 159 HH2 TRP 18 HH TRP 18 6.072 -2.055 -7.477 160 H ALA 19 H ALA 19 -0.998 2.022 -4.161 161 HA ALA 19 HA ALA 19 -1.467 -0.744 -4.419 162 HB1 ALA 19 1HB ALA 19 -2.238 0.414 -2.450 163 HB2 ALA 19 2HB ALA 19 -3.652 -0.224 -3.288 164 HB3 ALA 19 3HB ALA 19 -3.248 1.488 -3.417 165 H LYS 20 H LYS 20 -2.999 2.074 -5.960 166 HA LYS 20 HA LYS 20 -5.034 0.636 -7.314 167 HB2 LYS 20 2HB LYS 20 -5.037 3.102 -6.998 168 HB3 LYS 20 1HB LYS 20 -3.724 3.222 -8.170 169 HG2 LYS 20 2HG LYS 20 -5.158 2.134 -9.875 170 HG3 LYS 20 1HG LYS 20 -6.472 2.061 -8.702 171 HD2 LYS 20 2HD LYS 20 -5.134 4.675 -9.383 172 HD3 LYS 20 1HD LYS 20 -6.458 4.049 -10.361 173 HE2 LYS 20 2HE LYS 20 -7.790 3.847 -8.177 174 HE3 LYS 20 1HE LYS 20 -6.513 4.799 -7.426 175 HZ1 LYS 20 1HZ LYS 20 -8.356 5.601 -9.602 176 HZ2 LYS 20 2HZ LYS 20 -6.932 6.466 -9.263 177 HZ3 LYS 20 3HZ LYS 20 -8.145 6.324 -8.083 178 H SER 21 H SER 21 -1.776 1.629 -8.298 179 HA SER 21 HA SER 21 -1.894 0.716 -10.951 180 HB2 SER 21 2HB SER 21 0.575 0.760 -10.819 181 HB3 SER 21 1HB SER 21 -0.164 2.217 -10.164 182 HG SER 21 HG SER 21 1.418 1.416 -8.750 183 H HIS 22 H HIS 22 -0.886 -0.981 -7.961 184 HA HIS 22 HA HIS 22 -0.966 -3.517 -9.529 185 HB2 HIS 22 2HB HIS 22 1.039 -2.638 -7.442 186 HB3 HIS 22 1HB HIS 22 0.838 -4.318 -7.940 187 HD1 HIS 22 1HD HIS 22 1.743 -0.925 -9.361 188 HD2 HIS 22 2HD HIS 22 1.999 -4.953 -10.399 189 HE1 HIS 22 1HE HIS 22 3.201 -1.040 -11.430 190 HE2 HIS 22 2HE HIS 22 3.359 -3.489 -12.080 191 H VAL 23 H VAL 23 -3.092 -3.912 -8.866 192 HA VAL 23 HA VAL 23 -3.905 -3.882 -6.157 193 HB VAL 23 HB VAL 23 -5.829 -5.231 -6.944 194 HG11 VAL 23 1HG1 VAL 23 -6.618 -3.615 -8.688 195 HG12 VAL 23 2HG1 VAL 23 -4.984 -2.959 -8.769 196 HG13 VAL 23 3HG1 VAL 23 -5.919 -2.817 -7.279 197 HG21 VAL 23 1HG2 VAL 23 -4.738 -6.722 -8.510 198 HG22 VAL 23 2HG2 VAL 23 -4.181 -5.367 -9.488 199 HG23 VAL 23 3HG2 VAL 23 -5.898 -5.757 -9.424 200 H GLY 24 H GLY 24 -2.147 -6.106 -8.123 201 HA2 GLY 24 2HA GLY 24 -2.592 -8.500 -6.705 202 HA3 GLY 24 1HA GLY 24 -1.178 -8.147 -7.684 203 H LYS 25 H LYS 25 -0.221 -5.888 -6.241 204 HA LYS 25 HA LYS 25 1.297 -7.151 -4.222 205 HB2 LYS 25 2HB LYS 25 0.758 -4.214 -4.726 206 HB3 LYS 25 1HB LYS 25 1.981 -4.822 -3.615 207 HG2 LYS 25 2HG LYS 25 1.966 -5.710 -6.502 208 HG3 LYS 25 1HG LYS 25 2.708 -4.184 -6.042 209 HD2 LYS 25 2HD LYS 25 4.172 -5.364 -4.449 210 HD3 LYS 25 1HD LYS 25 3.442 -6.902 -4.905 211 HE2 LYS 25 2HE LYS 25 4.195 -6.581 -7.227 212 HE3 LYS 25 1HE LYS 25 4.914 -5.033 -6.782 213 HZ1 LYS 25 1HZ LYS 25 6.727 -6.140 -6.218 214 HZ2 LYS 25 2HZ LYS 25 5.970 -7.638 -6.478 215 HZ3 LYS 25 3HZ LYS 25 5.860 -6.880 -4.962 216 H VAL 26 H VAL 26 -1.603 -5.158 -4.115 217 HA VAL 26 HA VAL 26 -1.845 -4.870 -1.329 218 HB VAL 26 HB VAL 26 -3.906 -4.940 -3.528 219 HG11 VAL 26 1HG1 VAL 26 -4.150 -4.496 -0.564 220 HG12 VAL 26 2HG1 VAL 26 -5.210 -5.413 -1.633 221 HG13 VAL 26 3HG1 VAL 26 -5.232 -3.649 -1.669 222 HG21 VAL 26 1HG2 VAL 26 -2.928 -2.589 -1.907 223 HG22 VAL 26 2HG2 VAL 26 -3.782 -2.575 -3.451 224 HG23 VAL 26 3HG2 VAL 26 -2.101 -3.108 -3.375 225 H TRP 27 H TRP 27 -3.148 -7.265 -3.576 226 HA TRP 27 HA TRP 27 -4.552 -8.800 -1.657 227 HB2 TRP 27 2HB TRP 27 -3.426 -9.486 -4.369 228 HB3 TRP 27 1HB TRP 27 -4.286 -10.667 -3.382 229 HD1 TRP 27 HD TRP 27 -4.928 -8.166 -5.949 230 HE1 TRP 27 1HE TRP 27 -7.410 -7.474 -5.992 231 HE3 TRP 27 3HE TRP 27 -6.487 -10.135 -1.489 232 HZ2 TRP 27 2HZ TRP 27 -9.749 -7.735 -4.371 233 HZ3 TRP 27 3HZ TRP 27 -8.848 -9.891 -0.772 234 HH2 TRP 27 HH TRP 27 -10.475 -8.696 -2.205 235 H GLU 28 H GLU 28 -1.262 -9.060 -2.930 236 HA GLU 28 HA GLU 28 -0.518 -11.424 -1.670 237 HB2 GLU 28 2HB GLU 28 0.759 -10.258 -3.460 238 HB3 GLU 28 1HB GLU 28 1.267 -9.060 -2.268 239 HG2 GLU 28 2HG GLU 28 3.019 -10.715 -2.408 240 HG3 GLU 28 1HG GLU 28 2.189 -10.962 -0.877 241 H TRP 29 H TRP 29 -0.190 -8.025 -0.473 242 HA TRP 29 HA TRP 29 1.110 -8.801 1.947 243 HB2 TRP 29 2HB TRP 29 -0.670 -6.381 1.785 244 HB3 TRP 29 1HB TRP 29 0.757 -6.634 2.767 245 HD1 TRP 29 HD TRP 29 -0.185 -4.568 0.174 246 HE1 TRP 29 1HE TRP 29 1.684 -3.965 -1.480 247 HE3 TRP 29 3HE TRP 29 3.221 -8.178 1.345 248 HZ2 TRP 29 2HZ TRP 29 4.275 -4.863 -2.203 249 HZ3 TRP 29 3HZ TRP 29 5.385 -8.247 0.169 250 HH2 TRP 29 HH TRP 29 5.928 -6.610 -1.607 251 H LEU 30 H LEU 30 -2.308 -8.342 1.075 252 HA LEU 30 HA LEU 30 -3.309 -8.609 3.699 253 HB2 LEU 30 2HB LEU 30 -4.508 -9.058 0.978 254 HB3 LEU 30 1HB LEU 30 -5.425 -9.414 2.442 255 HG LEU 30 HG LEU 30 -4.067 -6.752 1.925 256 HD11 LEU 30 1HD1 LEU 30 -6.846 -7.704 1.248 257 HD12 LEU 30 2HD1 LEU 30 -5.720 -6.774 0.256 258 HD13 LEU 30 3HD1 LEU 30 -6.536 -6.008 1.613 259 HD21 LEU 30 1HD2 LEU 30 -4.454 -6.707 4.195 260 HD22 LEU 30 2HD2 LEU 30 -5.743 -7.898 4.116 261 HD23 LEU 30 3HD2 LEU 30 -6.066 -6.225 3.681 262 H LYS 31 H LYS 31 -2.688 -11.055 1.183 263 HA LYS 31 HA LYS 31 -3.723 -13.238 2.640 264 HB2 LYS 31 2HB LYS 31 -1.592 -13.111 0.507 265 HB3 LYS 31 1HB LYS 31 -2.228 -14.620 1.167 266 HG2 LYS 31 2HG LYS 31 -4.497 -13.981 0.489 267 HG3 LYS 31 1HG LYS 31 -3.889 -12.451 -0.139 268 HD2 LYS 31 2HD LYS 31 -2.472 -13.664 -1.748 269 HD3 LYS 31 1HD LYS 31 -3.073 -15.200 -1.118 270 HE2 LYS 31 2HE LYS 31 -4.848 -13.047 -2.298 271 HE3 LYS 31 1HE LYS 31 -4.261 -14.446 -3.199 272 HZ1 LYS 31 1HZ LYS 31 -6.078 -15.451 -2.419 273 HZ2 LYS 31 2HZ LYS 31 -6.343 -14.279 -1.218 274 HZ3 LYS 31 3HZ LYS 31 -5.252 -15.551 -0.942 275 H SER 32 H SER 32 -0.502 -11.803 2.493 276 HA SER 32 HA SER 32 0.814 -13.702 4.127 277 HB2 SER 32 2HB SER 32 2.539 -11.941 4.360 278 HB3 SER 32 1HB SER 32 2.050 -12.173 2.686 279 HG SER 32 HG SER 32 0.440 -10.392 3.876 280 H GLY 33 H GLY 33 -1.307 -11.041 4.859 281 HA2 GLY 33 2HA GLY 33 -2.323 -10.562 6.902 282 HA3 GLY 33 1HA GLY 33 -1.295 -11.769 7.661 283 H ALA 34 H ALA 34 0.132 -9.282 5.697 284 HA ALA 34 HA ALA 34 1.776 -8.386 7.847 285 HB1 ALA 34 1HB ALA 34 1.375 -7.555 4.994 286 HB2 ALA 34 2HB ALA 34 2.820 -8.193 5.778 287 HB3 ALA 34 3HB ALA 34 2.314 -6.532 6.083 288 H THR 35 H THR 35 1.987 -5.988 8.308 289 HA THR 35 HA THR 35 -0.659 -5.006 9.094 290 HB THR 35 HB THR 35 0.442 -3.689 10.688 291 HG1 THR 35 1HG THR 35 2.987 -3.834 10.134 292 HG21 THR 35 1HG2 THR 35 0.846 -6.249 10.846 293 HG22 THR 35 2HG2 THR 35 1.839 -5.194 11.851 294 HG23 THR 35 3HG2 THR 35 2.499 -5.864 10.362 295 H TYR 36 H TYR 36 -1.376 -2.902 8.617 296 HA TYR 36 HA TYR 36 -1.018 -2.043 5.964 297 HB2 TYR 36 2HB TYR 36 -2.050 -0.383 8.273 298 HB3 TYR 36 1HB TYR 36 -2.394 -0.144 6.561 299 HD1 TYR 36 1HD TYR 36 -3.165 -2.586 5.418 300 HD2 TYR 36 2HD TYR 36 -3.800 -1.285 9.457 301 HE1 TYR 36 1HE TYR 36 -5.081 -4.142 5.611 302 HE2 TYR 36 2HE TYR 36 -5.709 -2.843 9.654 303 HH TYR 36 HH TYR 36 -6.971 -4.315 8.630 304 H GLU 37 H GLU 37 0.374 -0.862 8.991 305 HA GLU 37 HA GLU 37 1.730 1.373 7.915 306 HB2 GLU 37 2HB GLU 37 1.332 1.046 10.333 307 HB3 GLU 37 1HB GLU 37 2.477 -0.304 10.330 308 HG2 GLU 37 2HG GLU 37 4.255 1.214 9.544 309 HG3 GLU 37 1HG GLU 37 3.108 2.551 9.546 310 H GLN 38 H GLN 38 2.909 -1.925 8.642 311 HA GLN 38 HA GLN 38 5.514 -1.519 7.739 312 HB2 GLN 38 2HB GLN 38 4.896 -3.463 9.018 313 HB3 GLN 38 1HB GLN 38 3.826 -4.025 7.733 314 HG2 GLN 38 2HG GLN 38 5.709 -4.334 6.233 315 HG3 GLN 38 1HG GLN 38 6.806 -3.595 7.399 316 HE21 GLN 38 1HE2 GLN 38 5.178 -6.587 6.548 317 HE22 GLN 38 2HE2 GLN 38 5.840 -7.513 7.809 318 H ILE 39 H ILE 39 2.607 -2.507 5.956 319 HA ILE 39 HA ILE 39 3.877 -3.045 3.503 320 HB ILE 39 HB ILE 39 1.032 -2.213 4.101 321 HG12 ILE 39 2HG1 ILE 39 2.103 -4.943 3.394 322 HG13 ILE 39 1HG1 ILE 39 2.110 -4.391 5.058 323 HG21 ILE 39 1HG2 ILE 39 2.273 -3.468 1.605 324 HG22 ILE 39 2HG2 ILE 39 1.596 -1.834 1.708 325 HG23 ILE 39 3HG2 ILE 39 0.542 -3.234 1.883 326 HD11 ILE 39 1HD1 ILE 39 0.033 -5.614 4.696 327 HD12 ILE 39 2HD1 ILE 39 -0.317 -4.667 3.254 328 HD13 ILE 39 3HD1 ILE 39 -0.363 -3.907 4.835 329 H LYS 40 H LYS 40 2.361 0.057 4.705 330 HA LYS 40 HA LYS 40 2.983 1.299 2.205 331 HB2 LYS 40 2HB LYS 40 2.812 3.512 3.335 332 HB3 LYS 40 1HB LYS 40 1.349 2.504 3.447 333 HG2 LYS 40 2HG LYS 40 1.762 1.957 5.715 334 HG3 LYS 40 1HG LYS 40 3.440 2.520 5.633 335 HD2 LYS 40 2HD LYS 40 2.599 4.843 5.272 336 HD3 LYS 40 1HD LYS 40 0.949 4.255 5.440 337 HE2 LYS 40 2HE LYS 40 1.302 3.635 7.726 338 HE3 LYS 40 1HE LYS 40 3.044 3.877 7.591 339 HZ1 LYS 40 1HZ LYS 40 1.530 6.205 6.856 340 HZ2 LYS 40 2HZ LYS 40 2.832 6.058 7.942 341 HZ3 LYS 40 3HZ LYS 40 1.248 5.728 8.460 342 H GLU 41 H GLU 41 4.734 0.794 5.206 343 HA GLU 41 HA GLU 41 6.784 2.593 4.807 344 HB2 GLU 41 2HB GLU 41 6.520 1.247 6.863 345 HB3 GLU 41 1HB GLU 41 7.022 -0.190 5.966 346 HG2 GLU 41 2HG GLU 41 9.203 0.856 5.490 347 HG3 GLU 41 1HG GLU 41 8.701 2.311 6.348 348 H TRP 42 H TRP 42 6.521 -0.780 3.722 349 HA TRP 42 HA TRP 42 8.987 -0.886 2.364 350 HB2 TRP 42 2HB TRP 42 6.372 -2.288 1.747 351 HB3 TRP 42 1HB TRP 42 7.908 -2.693 1.002 352 HD1 TRP 42 HD TRP 42 9.558 -2.432 3.911 353 HE1 TRP 42 1HE TRP 42 9.317 -4.429 5.512 354 HE3 TRP 42 3HE TRP 42 5.298 -4.562 2.058 355 HZ2 TRP 42 2HZ TRP 42 7.565 -6.617 5.970 356 HZ3 TRP 42 3HZ TRP 42 4.363 -6.614 3.100 357 HH2 TRP 42 HH TRP 42 5.498 -7.647 5.057 358 H ILE 43 H ILE 43 5.753 0.052 1.318 359 HA ILE 43 HA ILE 43 6.375 0.420 -1.404 360 HB ILE 43 HB ILE 43 4.200 1.621 0.310 361 HG12 ILE 43 2HG1 ILE 43 4.119 -0.553 -1.801 362 HG13 ILE 43 1HG1 ILE 43 4.276 -0.878 -0.072 363 HG21 ILE 43 1HG2 ILE 43 4.681 1.746 -2.673 364 HG22 ILE 43 2HG2 ILE 43 4.458 3.097 -1.562 365 HG23 ILE 43 3HG2 ILE 43 3.103 2.024 -1.936 366 HD11 ILE 43 1HD1 ILE 43 1.896 -0.945 -1.052 367 HD12 ILE 43 2HD1 ILE 43 2.024 0.811 -1.178 368 HD13 ILE 43 3HD1 ILE 43 2.127 0.032 0.401 369 H GLU 44 H GLU 44 6.325 2.817 1.242 370 HA GLU 44 HA GLU 44 6.934 4.933 -0.503 371 HB2 GLU 44 2HB GLU 44 7.231 6.329 1.450 372 HB3 GLU 44 1HB GLU 44 5.799 5.314 1.649 373 HG2 GLU 44 2HG GLU 44 6.617 4.476 3.577 374 HG3 GLU 44 1HG GLU 44 8.052 3.912 2.749 375 H ASN 45 H ASN 45 8.972 2.672 1.350 376 HA ASN 45 HA ASN 45 11.417 4.056 0.927 377 HB2 ASN 45 2HB ASN 45 11.229 2.223 2.549 378 HB3 ASN 45 1HB ASN 45 10.901 1.080 1.247 379 HD21 ASN 45 1HD2 ASN 45 12.814 -0.178 1.406 380 HD22 ASN 45 2HD2 ASN 45 14.364 0.461 1.150 381 H ALA 46 H ALA 46 9.695 1.583 -0.978 382 HA ALA 46 HA ALA 46 11.650 1.329 -3.008 383 HB1 ALA 46 1HB ALA 46 8.661 0.998 -3.301 384 HB2 ALA 46 2HB ALA 46 9.736 -0.236 -2.649 385 HB3 ALA 46 3HB ALA 46 9.917 0.292 -4.321 386 H LEU 47 H LEU 47 8.809 3.420 -2.691 387 HA LEU 47 HA LEU 47 8.862 4.621 -5.195 388 HB2 LEU 47 2HB LEU 47 7.220 4.787 -3.136 389 HB3 LEU 47 1HB LEU 47 8.196 6.185 -2.724 390 HG LEU 47 HG LEU 47 6.401 7.047 -3.994 391 HD11 LEU 47 1HD1 LEU 47 7.437 8.039 -5.895 392 HD12 LEU 47 2HD1 LEU 47 8.564 6.697 -6.083 393 HD13 LEU 47 3HD1 LEU 47 8.719 7.792 -4.709 394 HD21 LEU 47 1HD2 LEU 47 6.901 5.094 -6.248 395 HD22 LEU 47 2HD2 LEU 47 5.482 6.095 -5.944 396 HD23 LEU 47 3HD2 LEU 47 5.807 4.706 -4.916 397 H GLY 48 H GLY 48 10.530 5.565 -2.168 398 HA2 GLY 48 2HA GLY 48 11.733 7.904 -3.205 399 HA3 GLY 48 1HA GLY 48 12.291 6.992 -1.799 400 H TRP 49 H TRP 49 12.818 4.536 -3.009 401 HA TRP 49 HA TRP 49 15.414 4.956 -4.034 402 HB2 TRP 49 2HB TRP 49 14.965 2.908 -2.903 403 HB3 TRP 49 1HB TRP 49 13.615 2.528 -3.973 404 HD1 TRP 49 HD TRP 49 14.160 1.168 -6.102 405 HE1 TRP 49 1HE TRP 49 16.333 0.362 -7.236 406 HE3 TRP 49 3HE TRP 49 17.608 3.689 -3.299 407 HZ2 TRP 49 2HZ TRP 49 19.161 0.748 -6.990 408 HZ3 TRP 49 3HZ TRP 49 20.030 3.459 -3.775 409 HH2 TRP 49 HH TRP 49 20.811 1.992 -5.615 410 H ARG 50 H ARG 50 12.325 4.187 -5.604 411 HA ARG 50 HA ARG 50 13.565 4.202 -8.243 412 HB2 ARG 50 2HB ARG 50 11.777 2.573 -7.672 413 HB3 ARG 50 1HB ARG 50 10.658 3.918 -7.452 414 HG2 ARG 50 2HG ARG 50 11.036 4.613 -9.790 415 HG3 ARG 50 1HG ARG 50 12.136 3.252 -10.008 416 HD2 ARG 50 2HD ARG 50 10.260 1.707 -9.394 417 HD3 ARG 50 1HD ARG 50 9.179 3.096 -9.369 418 HE ARG 50 HE ARG 50 10.653 2.868 -11.828 419 HH11 ARG 50 1HH1 ARG 50 9.461 2.305 -13.652 420 HH12 ARG 50 2HH1 ARG 50 7.865 1.658 -13.477 421 HH21 ARG 50 1HH2 ARG 50 7.910 1.823 -10.005 422 HH22 ARG 50 2HH2 ARG 50 6.979 1.382 -11.398 Start of MODEL 5 1 H FME 1 H FME 1 -11.112 -5.406 0.105 2 HCN FME 1 HF FME 1 -12.272 -5.838 2.083 3 HA FME 1 HA FME 1 -8.908 -4.479 1.732 4 HB2 FME 1 1HB FME 1 -8.509 -5.634 -0.404 5 HB3 FME 1 2HB FME 1 -7.825 -4.009 -0.422 6 HG2 FME 1 1HG FME 1 -9.445 -3.202 -1.885 7 HG3 FME 1 2HG FME 1 -10.632 -4.417 -1.405 8 HE1 FME 1 1HE FME 1 -7.782 -3.334 -3.486 9 HE2 FME 1 2HE FME 1 -9.227 -3.413 -4.494 10 HE3 FME 1 3HE FME 1 -7.841 -4.433 -4.872 11 H ALA 2 H ALA 2 -11.783 -3.137 1.161 12 HA ALA 2 HA ALA 2 -11.233 -0.559 0.160 13 HB1 ALA 2 1HB ALA 2 -13.398 -1.466 2.071 14 HB2 ALA 2 2HB ALA 2 -13.504 -1.450 0.309 15 HB3 ALA 2 3HB ALA 2 -13.385 0.066 1.199 16 H GLY 3 H GLY 3 -11.231 -1.852 3.466 17 HA2 GLY 3 2HA GLY 3 -10.830 0.583 4.829 18 HA3 GLY 3 1HA GLY 3 -10.379 -1.008 5.428 19 H LEU 4 H LEU 4 -8.537 -1.769 3.492 20 HA LEU 4 HA LEU 4 -6.162 -0.573 4.421 21 HB2 LEU 4 2HB LEU 4 -6.129 -2.823 3.613 22 HB3 LEU 4 1HB LEU 4 -6.773 -2.351 2.050 23 HG LEU 4 HG LEU 4 -4.295 -2.870 2.098 24 HD11 LEU 4 1HD1 LEU 4 -4.351 -0.032 1.260 25 HD12 LEU 4 2HD1 LEU 4 -5.634 -1.030 0.585 26 HD13 LEU 4 3HD1 LEU 4 -3.950 -1.480 0.346 27 HD21 LEU 4 1HD2 LEU 4 -4.107 -1.559 4.380 28 HD22 LEU 4 2HD2 LEU 4 -3.845 -0.170 3.326 29 HD23 LEU 4 3HD2 LEU 4 -2.761 -1.555 3.242 30 H LEU 5 H LEU 5 -8.027 -0.110 1.438 31 HA LEU 5 HA LEU 5 -6.226 1.676 0.192 32 HB2 LEU 5 2HB LEU 5 -9.214 1.328 -0.074 33 HB3 LEU 5 1HB LEU 5 -8.269 2.403 -1.100 34 HG LEU 5 HG LEU 5 -7.708 -0.560 -0.782 35 HD11 LEU 5 1HD1 LEU 5 -8.736 -0.797 -3.013 36 HD12 LEU 5 2HD1 LEU 5 -9.158 0.916 -3.002 37 HD13 LEU 5 3HD1 LEU 5 -9.904 -0.185 -1.842 38 HD21 LEU 5 1HD2 LEU 5 -6.533 1.684 -2.399 39 HD22 LEU 5 2HD2 LEU 5 -6.563 0.069 -3.101 40 HD23 LEU 5 3HD2 LEU 5 -5.715 0.351 -1.586 41 H ARG 6 H ARG 6 -9.025 2.246 2.323 42 HA ARG 6 HA ARG 6 -8.982 5.056 2.200 43 HB2 ARG 6 2HB ARG 6 -10.840 3.743 3.183 44 HB3 ARG 6 1HB ARG 6 -9.808 3.313 4.541 45 HG2 ARG 6 2HG ARG 6 -9.988 6.233 3.954 46 HG3 ARG 6 1HG ARG 6 -11.479 5.487 4.518 47 HD2 ARG 6 2HD ARG 6 -10.311 4.603 6.492 48 HD3 ARG 6 1HD ARG 6 -8.798 5.304 5.925 49 HE ARG 6 HE ARG 6 -9.591 7.429 6.535 50 HH11 ARG 6 1HH1 ARG 6 -10.998 8.735 7.730 51 HH12 ARG 6 2HH1 ARG 6 -12.512 8.099 8.277 52 HH21 ARG 6 1HH2 ARG 6 -12.013 4.972 6.866 53 HH22 ARG 6 2HH2 ARG 6 -13.090 5.968 7.785 54 H PHE 7 H PHE 7 -7.329 2.798 4.366 55 HA PHE 7 HA PHE 7 -6.103 4.677 6.055 56 HB2 PHE 7 2HB PHE 7 -6.228 2.215 6.440 57 HB3 PHE 7 1HB PHE 7 -5.018 1.994 5.178 58 HD1 PHE 7 1HD PHE 7 -2.705 2.701 5.501 59 HD2 PHE 7 2HD PHE 7 -5.643 3.204 8.591 60 HE1 PHE 7 1HE PHE 7 -0.898 3.083 7.153 61 HE2 PHE 7 2HE PHE 7 -3.837 3.591 10.245 62 HZ PHE 7 HZ PHE 7 -1.466 3.522 9.529 63 H LEU 8 H LEU 8 -4.919 3.159 3.047 64 HA LEU 8 HA LEU 8 -2.392 4.402 3.098 65 HB2 LEU 8 2HB LEU 8 -4.060 3.187 0.913 66 HB3 LEU 8 1HB LEU 8 -2.561 4.025 0.515 67 HG LEU 8 HG LEU 8 -2.798 1.744 2.507 68 HD11 LEU 8 1HD1 LEU 8 -2.116 0.258 0.857 69 HD12 LEU 8 2HD1 LEU 8 -1.376 1.520 -0.123 70 HD13 LEU 8 3HD1 LEU 8 -3.131 1.350 -0.088 71 HD21 LEU 8 1HD2 LEU 8 -0.122 1.969 1.673 72 HD22 LEU 8 2HD2 LEU 8 -0.779 2.524 3.209 73 HD23 LEU 8 3HD2 LEU 8 -0.643 3.642 1.864 74 H LEU 9 H LEU 9 -5.475 5.405 1.688 75 HA LEU 9 HA LEU 9 -4.539 7.714 0.386 76 HB2 LEU 9 2HB LEU 9 -6.736 6.668 0.029 77 HB3 LEU 9 1HB LEU 9 -7.250 7.213 1.614 78 HG LEU 9 HG LEU 9 -6.783 9.569 0.911 79 HD11 LEU 9 1HD1 LEU 9 -5.981 8.127 -1.592 80 HD12 LEU 9 2HD1 LEU 9 -5.233 9.522 -0.815 81 HD13 LEU 9 3HD1 LEU 9 -6.719 9.722 -1.738 82 HD21 LEU 9 1HD2 LEU 9 -9.059 8.574 0.730 83 HD22 LEU 9 2HD2 LEU 9 -8.691 8.087 -0.926 84 HD23 LEU 9 3HD2 LEU 9 -8.761 9.798 -0.504 85 H SER 10 H SER 10 -5.865 7.259 3.654 86 HA SER 10 HA SER 10 -5.867 9.963 4.418 87 HB2 SER 10 2HB SER 10 -7.030 8.425 5.813 88 HB3 SER 10 1HB SER 10 -5.602 7.407 5.998 89 HG SER 10 HG SER 10 -5.996 8.796 7.809 90 H LYS 11 H LYS 11 -3.365 7.468 4.586 91 HA LYS 11 HA LYS 11 -1.504 9.126 6.006 92 HB2 LYS 11 2HB LYS 11 -1.096 6.622 4.374 93 HB3 LYS 11 1HB LYS 11 0.167 7.398 5.327 94 HG2 LYS 11 2HG LYS 11 -2.474 6.472 6.490 95 HG3 LYS 11 1HG LYS 11 -1.012 5.490 6.493 96 HD2 LYS 11 2HD LYS 11 0.088 7.601 7.614 97 HD3 LYS 11 1HD LYS 11 -1.576 8.042 7.992 98 HE2 LYS 11 2HE LYS 11 -0.393 5.349 8.681 99 HE3 LYS 11 1HE LYS 11 -0.415 6.713 9.792 100 HZ1 LYS 11 1HZ LYS 11 -2.790 5.446 8.536 101 HZ2 LYS 11 2HZ LYS 11 -2.830 6.806 9.551 102 HZ3 LYS 11 3HZ LYS 11 -2.321 5.303 10.160 103 H GLY 12 H GLY 12 -1.903 8.350 2.564 104 HA2 GLY 12 2HA GLY 12 -0.772 10.832 1.745 105 HA3 GLY 12 1HA GLY 12 0.351 9.498 1.492 106 H ARG 13 H ARG 13 -0.604 10.964 -0.650 107 HA ARG 13 HA ARG 13 -2.799 9.489 -1.880 108 HB2 ARG 13 2HB ARG 13 -1.121 11.836 -2.781 109 HB3 ARG 13 1HB ARG 13 -2.355 11.084 -3.794 110 HG2 ARG 13 2HG ARG 13 -4.061 11.550 -2.084 111 HG3 ARG 13 1HG ARG 13 -2.834 12.277 -1.045 112 HD2 ARG 13 2HD ARG 13 -2.377 13.978 -2.773 113 HD3 ARG 13 1HD ARG 13 -3.601 13.251 -3.811 114 HE ARG 13 HE ARG 13 -5.264 14.182 -2.451 115 HH11 ARG 13 1HH1 ARG 13 -5.934 15.631 -0.836 116 HH12 ARG 13 2HH1 ARG 13 -4.778 16.272 0.282 117 HH21 ARG 13 1HH2 ARG 13 -2.102 14.539 -1.088 118 HH22 ARG 13 2HH2 ARG 13 -2.604 15.653 0.137 119 H ALA 14 H ALA 14 0.686 9.785 -2.104 120 HA ALA 14 HA ALA 14 1.119 8.525 -4.569 121 HB1 ALA 14 1HB ALA 14 3.363 8.416 -3.940 122 HB2 ALA 14 2HB ALA 14 2.973 8.146 -2.241 123 HB3 ALA 14 3HB ALA 14 2.758 9.746 -2.949 124 H LEU 15 H LEU 15 1.016 7.134 -1.291 125 HA LEU 15 HA LEU 15 1.531 4.475 -2.047 126 HB2 LEU 15 2HB LEU 15 -0.233 5.304 0.258 127 HB3 LEU 15 1HB LEU 15 0.782 3.875 0.117 128 HG LEU 15 HG LEU 15 2.011 6.635 0.049 129 HD11 LEU 15 1HD1 LEU 15 0.881 6.779 2.082 130 HD12 LEU 15 2HD1 LEU 15 2.452 6.132 2.546 131 HD13 LEU 15 3HD1 LEU 15 1.059 5.060 2.415 132 HD21 LEU 15 1HD2 LEU 15 3.506 4.869 -0.599 133 HD22 LEU 15 2HD2 LEU 15 2.975 3.848 0.738 134 HD23 LEU 15 3HD2 LEU 15 3.915 5.303 1.061 135 H TYR 16 H TYR 16 -1.474 6.331 -1.752 136 HA TYR 16 HA TYR 16 -3.286 4.217 -2.163 137 HB2 TYR 16 2HB TYR 16 -4.098 6.337 -1.377 138 HB3 TYR 16 1HB TYR 16 -3.505 7.162 -2.819 139 HD1 TYR 16 1HD TYR 16 -4.787 7.221 -4.814 140 HD2 TYR 16 2HD TYR 16 -5.920 4.588 -1.617 141 HE1 TYR 16 1HE TYR 16 -6.921 6.728 -5.977 142 HE2 TYR 16 2HE TYR 16 -8.055 4.093 -2.779 143 HH TYR 16 HH TYR 16 -9.385 5.872 -5.010 144 H ASN 17 H ASN 17 -1.765 6.453 -4.474 145 HA ASN 17 HA ASN 17 -3.032 5.468 -6.784 146 HB2 ASN 17 2HB ASN 17 -1.810 7.577 -6.797 147 HB3 ASN 17 1HB ASN 17 -0.301 6.730 -6.461 148 HD21 ASN 17 1HD2 ASN 17 -0.127 8.151 -8.738 149 HD22 ASN 17 2HD2 ASN 17 -0.323 7.184 -10.118 150 H TRP 18 H TRP 18 -0.030 4.558 -5.168 151 HA TRP 18 HA TRP 18 0.933 2.689 -7.012 152 HB2 TRP 18 2HB TRP 18 2.398 3.377 -5.289 153 HB3 TRP 18 1HB TRP 18 1.230 3.002 -4.027 154 HD1 TRP 18 HD TRP 18 1.000 0.516 -3.239 155 HE1 TRP 18 1HE TRP 18 2.464 -1.576 -3.600 156 HE3 TRP 18 3HE TRP 18 3.972 2.160 -7.061 157 HZ2 TRP 18 2HZ TRP 18 4.614 -2.437 -5.280 158 HZ3 TRP 18 3HZ TRP 18 5.718 0.685 -8.018 159 HH2 TRP 18 HH TRP 18 6.042 -1.609 -7.135 160 H ALA 19 H ALA 19 -1.194 2.225 -4.191 161 HA ALA 19 HA ALA 19 -1.483 -0.566 -4.423 162 HB1 ALA 19 1HB ALA 19 -3.177 -0.375 -2.823 163 HB2 ALA 19 2HB ALA 19 -3.690 1.205 -3.413 164 HB3 ALA 19 3HB ALA 19 -2.185 1.048 -2.509 165 H LYS 20 H LYS 20 -3.376 2.107 -5.781 166 HA LYS 20 HA LYS 20 -5.398 0.521 -6.965 167 HB2 LYS 20 2HB LYS 20 -5.572 2.973 -6.638 168 HB3 LYS 20 1HB LYS 20 -4.350 3.208 -7.888 169 HG2 LYS 20 2HG LYS 20 -5.785 2.117 -9.541 170 HG3 LYS 20 1HG LYS 20 -6.992 1.778 -8.301 171 HD2 LYS 20 2HD LYS 20 -7.273 4.207 -7.920 172 HD3 LYS 20 1HD LYS 20 -6.093 4.535 -9.190 173 HE2 LYS 20 2HE LYS 20 -8.662 2.978 -9.609 174 HE3 LYS 20 1HE LYS 20 -8.460 4.689 -9.990 175 HZ1 LYS 20 1HZ LYS 20 -7.338 2.343 -11.319 176 HZ2 LYS 20 2HZ LYS 20 -6.376 3.742 -11.263 177 HZ3 LYS 20 3HZ LYS 20 -7.915 3.793 -11.984 178 H SER 21 H SER 21 -2.331 1.772 -8.241 179 HA SER 21 HA SER 21 -2.635 0.857 -10.877 180 HB2 SER 21 2HB SER 21 -0.938 2.502 -10.216 181 HB3 SER 21 1HB SER 21 -0.098 1.268 -9.283 182 HG SER 21 HG SER 21 0.896 1.022 -11.144 183 H HIS 22 H HIS 22 -1.192 -0.737 -8.019 184 HA HIS 22 HA HIS 22 -1.093 -3.256 -9.583 185 HB2 HIS 22 2HB HIS 22 1.118 -2.103 -8.742 186 HB3 HIS 22 1HB HIS 22 0.642 -2.766 -7.181 187 HD1 HIS 22 1HD HIS 22 3.152 -3.897 -8.484 188 HD2 HIS 22 2HD HIS 22 -0.641 -5.496 -9.137 189 HE1 HIS 22 1HE HIS 22 3.504 -6.282 -9.253 190 HE2 HIS 22 2HE HIS 22 1.200 -7.273 -9.649 191 H VAL 23 H VAL 23 -3.208 -3.781 -8.939 192 HA VAL 23 HA VAL 23 -4.037 -3.826 -6.238 193 HB VAL 23 HB VAL 23 -5.870 -5.335 -7.087 194 HG11 VAL 23 1HG1 VAL 23 -5.185 -2.727 -8.426 195 HG12 VAL 23 2HG1 VAL 23 -6.434 -3.061 -7.225 196 HG13 VAL 23 3HG1 VAL 23 -6.641 -3.605 -8.890 197 HG21 VAL 23 1HG2 VAL 23 -4.315 -5.026 -9.672 198 HG22 VAL 23 2HG2 VAL 23 -5.948 -5.676 -9.562 199 HG23 VAL 23 3HG2 VAL 23 -4.607 -6.531 -8.800 200 H GLY 24 H GLY 24 -2.120 -5.924 -8.177 201 HA2 GLY 24 2HA GLY 24 -2.466 -8.372 -6.809 202 HA3 GLY 24 1HA GLY 24 -1.035 -7.907 -7.733 203 H LYS 25 H LYS 25 -0.302 -5.611 -6.262 204 HA LYS 25 HA LYS 25 1.230 -6.751 -4.189 205 HB2 LYS 25 2HB LYS 25 0.484 -3.865 -4.729 206 HB3 LYS 25 1HB LYS 25 1.704 -4.370 -3.566 207 HG2 LYS 25 2HG LYS 25 1.857 -5.266 -6.441 208 HG3 LYS 25 1HG LYS 25 2.480 -3.693 -5.960 209 HD2 LYS 25 2HD LYS 25 3.945 -4.806 -4.288 210 HD3 LYS 25 1HD LYS 25 3.359 -6.373 -4.834 211 HE2 LYS 25 2HE LYS 25 4.191 -5.917 -7.099 212 HE3 LYS 25 1HE LYS 25 4.780 -4.343 -6.569 213 HZ1 LYS 25 1HZ LYS 25 5.627 -6.630 -4.991 214 HZ2 LYS 25 2HZ LYS 25 6.500 -5.251 -5.469 215 HZ3 LYS 25 3HZ LYS 25 6.269 -6.533 -6.559 216 H VAL 26 H VAL 26 -1.819 -4.989 -4.200 217 HA VAL 26 HA VAL 26 -2.187 -4.730 -1.424 218 HB VAL 26 HB VAL 26 -4.141 -4.952 -3.710 219 HG11 VAL 26 1HG1 VAL 26 -5.422 -5.603 -1.827 220 HG12 VAL 26 2HG1 VAL 26 -5.709 -3.870 -1.972 221 HG13 VAL 26 3HG1 VAL 26 -4.580 -4.478 -0.762 222 HG21 VAL 26 1HG2 VAL 26 -4.388 -2.484 -3.140 223 HG22 VAL 26 2HG2 VAL 26 -2.836 -2.946 -3.839 224 HG23 VAL 26 3HG2 VAL 26 -2.974 -2.672 -2.101 225 H TRP 27 H TRP 27 -3.223 -7.219 -3.712 226 HA TRP 27 HA TRP 27 -4.557 -8.873 -1.851 227 HB2 TRP 27 2HB TRP 27 -3.270 -9.457 -4.516 228 HB3 TRP 27 1HB TRP 27 -4.081 -10.705 -3.570 229 HD1 TRP 27 HD TRP 27 -4.773 -8.230 -6.149 230 HE1 TRP 27 1HE TRP 27 -7.294 -7.731 -6.330 231 HE3 TRP 27 3HE TRP 27 -6.418 -10.383 -1.816 232 HZ2 TRP 27 2HZ TRP 27 -9.690 -8.181 -4.840 233 HZ3 TRP 27 3HZ TRP 27 -8.827 -10.330 -1.224 234 HH2 TRP 27 HH TRP 27 -10.463 -9.233 -2.730 235 H GLU 28 H GLU 28 -1.212 -8.854 -2.988 236 HA GLU 28 HA GLU 28 -0.289 -11.142 -1.707 237 HB2 GLU 28 2HB GLU 28 0.970 -9.824 -3.412 238 HB3 GLU 28 1HB GLU 28 1.262 -8.590 -2.189 239 HG2 GLU 28 2HG GLU 28 3.203 -10.005 -2.227 240 HG3 GLU 28 1HG GLU 28 2.317 -10.396 -0.754 241 H TRP 29 H TRP 29 -0.350 -7.743 -0.501 242 HA TRP 29 HA TRP 29 0.864 -8.448 1.981 243 HB2 TRP 29 2HB TRP 29 -1.048 -6.149 1.743 244 HB3 TRP 29 1HB TRP 29 0.346 -6.322 2.792 245 HD1 TRP 29 HD TRP 29 -0.601 -4.323 0.132 246 HE1 TRP 29 1HE TRP 29 1.328 -3.595 -1.397 247 HE3 TRP 29 3HE TRP 29 2.967 -7.707 1.532 248 HZ2 TRP 29 2HZ TRP 29 4.020 -4.319 -1.946 249 HZ3 TRP 29 3HZ TRP 29 5.201 -7.633 0.492 250 HH2 TRP 29 HH TRP 29 5.741 -5.957 -1.242 251 H LEU 30 H LEU 30 -2.523 -8.275 0.930 252 HA LEU 30 HA LEU 30 -3.645 -8.613 3.503 253 HB2 LEU 30 2HB LEU 30 -4.618 -8.964 0.713 254 HB3 LEU 30 1HB LEU 30 -5.534 -9.787 1.969 255 HG LEU 30 HG LEU 30 -6.454 -7.549 1.514 256 HD11 LEU 30 1HD1 LEU 30 -6.114 -8.650 3.948 257 HD12 LEU 30 2HD1 LEU 30 -6.922 -7.103 3.705 258 HD13 LEU 30 3HD1 LEU 30 -5.233 -7.141 4.204 259 HD21 LEU 30 1HD2 LEU 30 -3.643 -6.653 2.145 260 HD22 LEU 30 2HD2 LEU 30 -5.013 -5.578 2.397 261 HD23 LEU 30 3HD2 LEU 30 -4.674 -6.203 0.791 262 H LYS 31 H LYS 31 -2.630 -10.999 1.077 263 HA LYS 31 HA LYS 31 -3.480 -13.299 2.482 264 HB2 LYS 31 2HB LYS 31 -2.793 -13.280 0.080 265 HB3 LYS 31 1HB LYS 31 -1.126 -13.041 0.596 266 HG2 LYS 31 2HG LYS 31 -1.145 -15.165 1.800 267 HG3 LYS 31 1HG LYS 31 -2.854 -15.392 1.428 268 HD2 LYS 31 2HD LYS 31 -1.781 -16.705 -0.206 269 HD3 LYS 31 1HD LYS 31 -2.104 -15.198 -1.062 270 HE2 LYS 31 2HE LYS 31 0.223 -16.018 -1.419 271 HE3 LYS 31 1HE LYS 31 0.184 -14.436 -0.649 272 HZ1 LYS 31 1HZ LYS 31 1.407 -16.732 0.290 273 HZ2 LYS 31 2HZ LYS 31 0.066 -16.478 1.303 274 HZ3 LYS 31 3HZ LYS 31 1.231 -15.257 1.107 275 H SER 32 H SER 32 -0.415 -11.526 2.438 276 HA SER 32 HA SER 32 1.023 -13.242 4.165 277 HB2 SER 32 2HB SER 32 1.374 -10.286 3.626 278 HB3 SER 32 1HB SER 32 2.541 -11.304 4.464 279 HG SER 32 HG SER 32 2.181 -10.978 1.842 280 H GLY 33 H GLY 33 -1.080 -10.476 4.769 281 HA2 GLY 33 2HA GLY 33 -2.343 -10.188 6.753 282 HA3 GLY 33 1HA GLY 33 -1.208 -11.236 7.602 283 H ALA 34 H ALA 34 0.255 -8.923 5.561 284 HA ALA 34 HA ALA 34 1.611 -7.619 7.687 285 HB1 ALA 34 1HB ALA 34 1.326 -7.010 4.743 286 HB2 ALA 34 2HB ALA 34 2.727 -7.662 5.592 287 HB3 ALA 34 3HB ALA 34 2.259 -5.977 5.824 288 H THR 35 H THR 35 1.472 -5.376 8.302 289 HA THR 35 HA THR 35 -1.286 -4.495 8.549 290 HB THR 35 HB THR 35 -0.349 -2.808 10.076 291 HG1 THR 35 1HG THR 35 1.693 -2.334 9.988 292 HG21 THR 35 1HG2 THR 35 0.783 -5.596 10.438 293 HG22 THR 35 2HG2 THR 35 -0.821 -5.054 10.934 294 HG23 THR 35 3HG2 THR 35 0.615 -4.399 11.721 295 H TYR 36 H TYR 36 -1.887 -2.234 8.137 296 HA TYR 36 HA TYR 36 -1.401 -1.438 5.482 297 HB2 TYR 36 2HB TYR 36 -2.240 0.509 7.606 298 HB3 TYR 36 1HB TYR 36 -2.802 0.373 5.942 299 HD1 TYR 36 1HD TYR 36 -3.142 -2.759 6.072 300 HD2 TYR 36 2HD TYR 36 -4.463 0.470 8.593 301 HE1 TYR 36 1HE TYR 36 -5.052 -4.125 6.828 302 HE2 TYR 36 2HE TYR 36 -6.377 -0.914 9.347 303 HH TYR 36 HH TYR 36 -7.260 -3.822 7.767 304 H GLU 37 H GLU 37 -0.017 -0.406 8.543 305 HA GLU 37 HA GLU 37 1.511 1.750 7.586 306 HB2 GLU 37 2HB GLU 37 1.826 -0.046 9.991 307 HB3 GLU 37 1HB GLU 37 2.836 1.371 9.705 308 HG2 GLU 37 2HG GLU 37 0.843 2.806 9.676 309 HG3 GLU 37 1HG GLU 37 -0.189 1.393 9.910 310 H GLN 38 H GLN 38 2.382 -1.650 8.155 311 HA GLN 38 HA GLN 38 5.080 -1.415 7.404 312 HB2 GLN 38 2HB GLN 38 4.110 -3.320 8.624 313 HB3 GLN 38 1HB GLN 38 3.277 -3.833 7.158 314 HG2 GLN 38 2HG GLN 38 5.448 -4.028 6.003 315 HG3 GLN 38 1HG GLN 38 6.279 -3.540 7.476 316 HE21 GLN 38 1HE2 GLN 38 7.045 -5.299 8.678 317 HE22 GLN 38 2HE2 GLN 38 6.349 -6.848 8.677 318 H ILE 39 H ILE 39 2.158 -2.101 5.518 319 HA ILE 39 HA ILE 39 3.453 -2.721 3.090 320 HB ILE 39 HB ILE 39 0.711 -1.545 3.591 321 HG12 ILE 39 2HG1 ILE 39 1.491 -4.361 2.822 322 HG13 ILE 39 1HG1 ILE 39 1.362 -3.875 4.506 323 HG21 ILE 39 1HG2 ILE 39 1.328 -1.108 1.300 324 HG22 ILE 39 2HG2 ILE 39 0.295 -2.531 1.281 325 HG23 ILE 39 3HG2 ILE 39 2.048 -2.710 1.125 326 HD11 ILE 39 1HD1 ILE 39 -0.786 -4.751 3.997 327 HD12 ILE 39 2HD1 ILE 39 -0.815 -3.972 2.416 328 HD13 ILE 39 3HD1 ILE 39 -1.005 -3.011 3.875 329 H LYS 40 H LYS 40 2.223 0.487 4.339 330 HA LYS 40 HA LYS 40 3.052 1.766 1.908 331 HB2 LYS 40 2HB LYS 40 2.970 3.930 3.025 332 HB3 LYS 40 1HB LYS 40 1.471 2.992 3.296 333 HG2 LYS 40 2HG LYS 40 2.261 2.328 5.514 334 HG3 LYS 40 1HG LYS 40 3.793 3.164 5.250 335 HD2 LYS 40 2HD LYS 40 2.483 5.284 4.889 336 HD3 LYS 40 1HD LYS 40 1.037 4.411 5.395 337 HE2 LYS 40 2HE LYS 40 2.011 3.972 7.580 338 HE3 LYS 40 1HE LYS 40 3.540 4.696 7.080 339 HZ1 LYS 40 1HZ LYS 40 1.707 6.057 8.364 340 HZ2 LYS 40 2HZ LYS 40 1.118 6.297 6.790 341 HZ3 LYS 40 3HZ LYS 40 2.697 6.781 7.191 342 H GLU 41 H GLU 41 4.643 1.056 4.980 343 HA GLU 41 HA GLU 41 6.864 2.686 4.694 344 HB2 GLU 41 2HB GLU 41 6.367 1.351 6.697 345 HB3 GLU 41 1HB GLU 41 6.806 -0.106 5.804 346 HG2 GLU 41 2HG GLU 41 9.061 0.773 5.439 347 HG3 GLU 41 1HG GLU 41 8.633 2.257 6.286 348 H TRP 42 H TRP 42 6.349 -0.653 3.518 349 HA TRP 42 HA TRP 42 8.883 -0.880 2.273 350 HB2 TRP 42 2HB TRP 42 6.254 -2.202 1.576 351 HB3 TRP 42 1HB TRP 42 7.795 -2.635 0.854 352 HD1 TRP 42 HD TRP 42 9.543 -2.545 3.610 353 HE1 TRP 42 1HE TRP 42 9.223 -4.452 5.282 354 HE3 TRP 42 3HE TRP 42 4.958 -4.273 2.135 355 HZ2 TRP 42 2HZ TRP 42 7.311 -6.451 5.925 356 HZ3 TRP 42 3HZ TRP 42 3.916 -6.195 3.305 357 HH2 TRP 42 HH TRP 42 5.094 -7.285 5.199 358 H ILE 43 H ILE 43 5.764 0.234 1.089 359 HA ILE 43 HA ILE 43 6.528 0.550 -1.605 360 HB ILE 43 HB ILE 43 4.399 1.907 0.047 361 HG12 ILE 43 2HG1 ILE 43 4.139 -0.154 -2.154 362 HG13 ILE 43 1HG1 ILE 43 4.279 -0.591 -0.450 363 HG21 ILE 43 1HG2 ILE 43 4.951 2.066 -2.928 364 HG22 ILE 43 2HG2 ILE 43 4.884 3.412 -1.786 365 HG23 ILE 43 3HG2 ILE 43 3.416 2.523 -2.194 366 HD11 ILE 43 1HD1 ILE 43 2.197 1.348 -1.482 367 HD12 ILE 43 2HD1 ILE 43 2.265 0.588 0.104 368 HD13 ILE 43 3HD1 ILE 43 1.894 -0.383 -1.321 369 H GLU 44 H GLU 44 6.566 2.933 1.054 370 HA GLU 44 HA GLU 44 7.439 4.999 -0.643 371 HB2 GLU 44 2HB GLU 44 7.664 6.359 1.316 372 HB3 GLU 44 1HB GLU 44 6.174 5.412 1.440 373 HG2 GLU 44 2HG GLU 44 6.847 4.513 3.387 374 HG3 GLU 44 1HG GLU 44 8.333 3.916 2.664 375 H ASN 45 H ASN 45 9.198 2.612 1.339 376 HA ASN 45 HA ASN 45 11.750 3.803 1.095 377 HB2 ASN 45 2HB ASN 45 11.266 1.984 2.686 378 HB3 ASN 45 1HB ASN 45 10.974 0.883 1.342 379 HD21 ASN 45 1HD2 ASN 45 12.778 -0.532 1.791 380 HD22 ASN 45 2HD2 ASN 45 14.389 -0.018 1.650 381 H ALA 46 H ALA 46 9.961 1.467 -0.950 382 HA ALA 46 HA ALA 46 12.057 1.011 -2.808 383 HB1 ALA 46 1HB ALA 46 9.095 0.873 -3.392 384 HB2 ALA 46 2HB ALA 46 9.959 -0.383 -2.505 385 HB3 ALA 46 3HB ALA 46 10.394 -0.026 -4.176 386 H LEU 47 H LEU 47 9.376 3.324 -2.706 387 HA LEU 47 HA LEU 47 9.724 4.473 -5.234 388 HB2 LEU 47 2HB LEU 47 7.886 4.786 -3.398 389 HB3 LEU 47 1HB LEU 47 8.924 6.093 -2.837 390 HG LEU 47 HG LEU 47 7.936 5.825 -5.690 391 HD11 LEU 47 1HD1 LEU 47 6.055 6.209 -4.154 392 HD12 LEU 47 2HD1 LEU 47 6.378 7.660 -5.103 393 HD13 LEU 47 3HD1 LEU 47 6.913 7.567 -3.426 394 HD21 LEU 47 1HD2 LEU 47 9.751 7.231 -5.903 395 HD22 LEU 47 2HD2 LEU 47 9.698 7.744 -4.217 396 HD23 LEU 47 3HD2 LEU 47 8.572 8.435 -5.385 397 H GLY 48 H GLY 48 11.176 5.343 -2.067 398 HA2 GLY 48 2HA GLY 48 12.628 7.584 -2.981 399 HA3 GLY 48 1HA GLY 48 13.001 6.636 -1.544 400 H TRP 49 H TRP 49 13.525 4.143 -2.697 401 HA TRP 49 HA TRP 49 16.195 4.597 -3.707 402 HB2 TRP 49 2HB TRP 49 15.942 2.771 -2.184 403 HB3 TRP 49 1HB TRP 49 14.608 2.090 -3.115 404 HD1 TRP 49 HD TRP 49 15.232 0.321 -4.866 405 HE1 TRP 49 1HE TRP 49 17.431 -0.489 -5.949 406 HE3 TRP 49 3HE TRP 49 18.473 3.752 -2.938 407 HZ2 TRP 49 2HZ TRP 49 20.206 0.232 -5.988 408 HZ3 TRP 49 3HZ TRP 49 20.881 3.676 -3.509 409 HH2 TRP 49 HH TRP 49 21.752 1.923 -5.030 410 H ARG 50 H ARG 50 13.425 2.725 -4.927 411 HA ARG 50 HA ARG 50 13.072 1.894 -7.081 412 HB2 ARG 50 2HB ARG 50 11.866 4.056 -6.888 413 HB3 ARG 50 1HB ARG 50 13.276 4.872 -7.566 414 HG2 ARG 50 2HG ARG 50 13.101 3.513 -9.608 415 HG3 ARG 50 1HG ARG 50 11.706 2.671 -8.933 416 HD2 ARG 50 2HD ARG 50 10.541 4.889 -8.753 417 HD3 ARG 50 1HD ARG 50 11.897 5.615 -9.612 418 HE ARG 50 HE ARG 50 10.970 3.441 -11.134 419 HH11 ARG 50 1HH1 ARG 50 9.611 3.834 -12.914 420 HH12 ARG 50 2HH1 ARG 50 8.714 5.313 -13.002 421 HH21 ARG 50 1HH2 ARG 50 9.936 6.540 -9.996 422 HH22 ARG 50 2HH2 ARG 50 8.898 6.845 -11.348 Start of MODEL 6 1 H FME 1 H FME 1 -10.787 -5.500 1.770 2 HCN FME 1 HF FME 1 -10.483 -4.912 4.003 3 HA FME 1 HA FME 1 -8.383 -4.293 0.981 4 HB2 FME 1 1HB FME 1 -10.863 -4.395 -0.735 5 HB3 FME 1 2HB FME 1 -9.936 -5.847 -0.343 6 HG2 FME 1 1HG FME 1 -7.898 -4.763 -1.261 7 HG3 FME 1 2HG FME 1 -8.864 -3.354 -1.698 8 HE1 FME 1 1HE FME 1 -8.153 -4.750 -5.113 9 HE2 FME 1 2HE FME 1 -7.102 -5.429 -3.873 10 HE3 FME 1 3HE FME 1 -7.607 -3.744 -3.765 11 H ALA 2 H ALA 2 -11.696 -2.959 1.048 12 HA ALA 2 HA ALA 2 -11.051 -0.415 0.019 13 HB1 ALA 2 1HB ALA 2 -13.203 0.280 0.773 14 HB2 ALA 2 2HB ALA 2 -13.249 -0.977 2.009 15 HB3 ALA 2 3HB ALA 2 -13.367 -1.412 0.304 16 H GLY 3 H GLY 3 -11.094 -1.678 3.328 17 HA2 GLY 3 2HA GLY 3 -10.681 0.768 4.669 18 HA3 GLY 3 1HA GLY 3 -10.241 -0.822 5.289 19 H LEU 4 H LEU 4 -8.391 -1.619 3.366 20 HA LEU 4 HA LEU 4 -6.016 -0.439 4.280 21 HB2 LEU 4 2HB LEU 4 -6.127 -2.698 3.316 22 HB3 LEU 4 1HB LEU 4 -6.529 -2.018 1.747 23 HG LEU 4 HG LEU 4 -4.256 -0.698 2.049 24 HD11 LEU 4 1HD1 LEU 4 -3.870 -1.337 4.362 25 HD12 LEU 4 2HD1 LEU 4 -2.620 -2.038 3.333 26 HD13 LEU 4 3HD1 LEU 4 -3.946 -3.043 3.917 27 HD21 LEU 4 1HD2 LEU 4 -4.460 -2.243 0.269 28 HD22 LEU 4 2HD2 LEU 4 -4.581 -3.609 1.375 29 HD23 LEU 4 3HD2 LEU 4 -3.045 -2.779 1.175 30 H LEU 5 H LEU 5 -7.833 0.020 1.255 31 HA LEU 5 HA LEU 5 -6.027 1.820 0.071 32 HB2 LEU 5 2HB LEU 5 -9.016 1.533 -0.266 33 HB3 LEU 5 1HB LEU 5 -7.979 2.504 -1.317 34 HG LEU 5 HG LEU 5 -7.599 -0.456 -0.801 35 HD11 LEU 5 1HD1 LEU 5 -9.598 -0.311 -2.048 36 HD12 LEU 5 2HD1 LEU 5 -8.351 -0.555 -3.271 37 HD13 LEU 5 3HD1 LEU 5 -9.012 1.056 -2.996 38 HD21 LEU 5 1HD2 LEU 5 -5.506 0.238 -1.496 39 HD22 LEU 5 2HD2 LEU 5 -6.133 1.634 -2.368 40 HD23 LEU 5 3HD2 LEU 5 -6.253 0.024 -3.076 41 H ARG 6 H ARG 6 -8.870 2.382 2.143 42 HA ARG 6 HA ARG 6 -8.786 5.193 1.986 43 HB2 ARG 6 2HB ARG 6 -10.631 5.091 3.304 44 HB3 ARG 6 1HB ARG 6 -10.513 3.361 3.049 45 HG2 ARG 6 2HG ARG 6 -10.731 3.472 5.347 46 HG3 ARG 6 1HG ARG 6 -8.990 3.447 5.214 47 HD2 ARG 6 2HD ARG 6 -8.993 5.958 5.336 48 HD3 ARG 6 1HD ARG 6 -10.736 5.899 5.536 49 HE ARG 6 HE ARG 6 -9.634 4.251 7.490 50 HH11 ARG 6 1HH1 ARG 6 -9.286 5.013 9.565 51 HH12 ARG 6 2HH1 ARG 6 -9.155 6.712 9.860 52 HH21 ARG 6 1HH2 ARG 6 -9.592 7.578 6.521 53 HH22 ARG 6 2HH2 ARG 6 -9.327 8.179 8.125 54 H PHE 7 H PHE 7 -7.239 2.960 4.251 55 HA PHE 7 HA PHE 7 -6.139 4.868 5.995 56 HB2 PHE 7 2HB PHE 7 -6.293 2.419 6.431 57 HB3 PHE 7 1HB PHE 7 -5.028 2.163 5.234 58 HD1 PHE 7 1HD PHE 7 -2.714 2.579 5.752 59 HD2 PHE 7 2HD PHE 7 -5.797 3.724 8.516 60 HE1 PHE 7 1HE PHE 7 -0.996 2.982 7.500 61 HE2 PHE 7 2HE PHE 7 -4.080 4.134 10.261 62 HZ PHE 7 HZ PHE 7 -1.688 3.755 9.754 63 H LEU 8 H LEU 8 -4.854 3.318 3.065 64 HA LEU 8 HA LEU 8 -2.301 4.499 3.178 65 HB2 LEU 8 2HB LEU 8 -3.903 3.505 0.804 66 HB3 LEU 8 1HB LEU 8 -2.224 4.033 0.702 67 HG LEU 8 HG LEU 8 -2.988 1.956 2.737 68 HD11 LEU 8 1HD1 LEU 8 -3.926 1.119 0.636 69 HD12 LEU 8 2HD1 LEU 8 -2.453 0.225 1.003 70 HD13 LEU 8 3HD1 LEU 8 -2.431 1.496 -0.211 71 HD21 LEU 8 1HD2 LEU 8 -0.481 1.981 1.081 72 HD22 LEU 8 2HD2 LEU 8 -0.720 1.453 2.743 73 HD23 LEU 8 3HD2 LEU 8 -0.656 3.167 2.371 74 H LEU 9 H LEU 9 -5.315 5.548 1.636 75 HA LEU 9 HA LEU 9 -4.271 7.853 0.373 76 HB2 LEU 9 2HB LEU 9 -6.613 6.624 0.207 77 HB3 LEU 9 1HB LEU 9 -7.070 7.798 1.437 78 HG LEU 9 HG LEU 9 -5.781 8.526 -1.205 79 HD11 LEU 9 1HD1 LEU 9 -8.164 7.500 -1.238 80 HD12 LEU 9 2HD1 LEU 9 -7.918 9.047 -2.060 81 HD13 LEU 9 3HD1 LEU 9 -8.663 9.003 -0.461 82 HD21 LEU 9 1HD2 LEU 9 -6.784 10.054 1.170 83 HD22 LEU 9 2HD2 LEU 9 -6.926 10.782 -0.430 84 HD23 LEU 9 3HD2 LEU 9 -5.342 10.327 0.193 85 H SER 10 H SER 10 -5.780 7.408 3.591 86 HA SER 10 HA SER 10 -5.775 10.112 4.346 87 HB2 SER 10 2HB SER 10 -5.473 7.665 6.094 88 HB3 SER 10 1HB SER 10 -5.893 9.279 6.657 89 HG SER 10 HG SER 10 -7.770 8.087 6.317 90 H LYS 11 H LYS 11 -3.263 7.612 4.675 91 HA LYS 11 HA LYS 11 -1.498 9.324 6.141 92 HB2 LYS 11 2HB LYS 11 -0.937 6.798 4.565 93 HB3 LYS 11 1HB LYS 11 0.222 7.598 5.620 94 HG2 LYS 11 2HG LYS 11 -2.484 6.619 6.575 95 HG3 LYS 11 1HG LYS 11 -1.012 5.654 6.687 96 HD2 LYS 11 2HD LYS 11 -0.013 7.737 7.899 97 HD3 LYS 11 1HD LYS 11 -1.691 8.220 8.118 98 HE2 LYS 11 2HE LYS 11 -2.189 6.111 9.246 99 HE3 LYS 11 1HE LYS 11 -0.534 5.561 8.974 100 HZ1 LYS 11 1HZ LYS 11 -1.557 7.340 10.977 101 HZ2 LYS 11 2HZ LYS 11 -0.220 7.988 10.153 102 HZ3 LYS 11 3HZ LYS 11 -0.093 6.485 10.935 103 H GLY 12 H GLY 12 -1.759 8.467 2.706 104 HA2 GLY 12 2HA GLY 12 -0.630 10.970 1.889 105 HA3 GLY 12 1HA GLY 12 0.500 9.634 1.658 106 H ARG 13 H ARG 13 -0.354 11.019 -0.540 107 HA ARG 13 HA ARG 13 -2.587 9.566 -1.733 108 HB2 ARG 13 2HB ARG 13 -2.372 12.011 -2.077 109 HB3 ARG 13 1HB ARG 13 -0.845 11.736 -2.915 110 HG2 ARG 13 2HG ARG 13 -2.001 10.345 -4.586 111 HG3 ARG 13 1HG ARG 13 -3.533 10.598 -3.746 112 HD2 ARG 13 2HD ARG 13 -3.230 13.071 -4.093 113 HD3 ARG 13 1HD ARG 13 -1.825 12.707 -5.091 114 HE ARG 13 HE ARG 13 -4.031 11.221 -6.044 115 HH11 ARG 13 1HH1 ARG 13 -5.124 11.969 -7.900 116 HH12 ARG 13 2HH1 ARG 13 -4.963 13.626 -8.379 117 HH21 ARG 13 1HH2 ARG 13 -2.845 14.454 -5.763 118 HH22 ARG 13 2HH2 ARG 13 -3.673 15.030 -7.172 119 H ALA 14 H ALA 14 0.891 9.735 -1.906 120 HA ALA 14 HA ALA 14 1.271 8.405 -4.352 121 HB1 ALA 14 1HB ALA 14 3.489 7.709 -3.178 122 HB2 ALA 14 2HB ALA 14 2.928 8.754 -1.873 123 HB3 ALA 14 3HB ALA 14 3.184 9.417 -3.487 124 H LEU 15 H LEU 15 0.943 7.159 -1.034 125 HA LEU 15 HA LEU 15 1.433 4.454 -1.584 126 HB2 LEU 15 2HB LEU 15 -0.547 5.600 0.392 127 HB3 LEU 15 1HB LEU 15 0.260 4.047 0.486 128 HG LEU 15 HG LEU 15 1.716 6.701 0.477 129 HD11 LEU 15 1HD1 LEU 15 2.123 6.026 2.927 130 HD12 LEU 15 2HD1 LEU 15 0.755 4.932 2.727 131 HD13 LEU 15 3HD1 LEU 15 0.531 6.669 2.530 132 HD21 LEU 15 1HD2 LEU 15 2.506 3.808 0.761 133 HD22 LEU 15 2HD2 LEU 15 3.485 5.076 1.491 134 HD23 LEU 15 3HD2 LEU 15 3.228 5.057 -0.253 135 H TYR 16 H TYR 16 -1.567 6.332 -1.618 136 HA TYR 16 HA TYR 16 -3.376 4.253 -2.183 137 HB2 TYR 16 2HB TYR 16 -4.101 6.437 -1.403 138 HB3 TYR 16 1HB TYR 16 -3.466 7.212 -2.853 139 HD1 TYR 16 1HD TYR 16 -4.898 7.598 -4.621 140 HD2 TYR 16 2HD TYR 16 -5.814 4.465 -1.834 141 HE1 TYR 16 1HE TYR 16 -7.056 7.213 -5.766 142 HE2 TYR 16 2HE TYR 16 -7.973 4.071 -2.986 143 HH TYR 16 HH TYR 16 -9.505 5.175 -4.423 144 H ASN 17 H ASN 17 -1.614 6.465 -4.325 145 HA ASN 17 HA ASN 17 -2.726 5.537 -6.741 146 HB2 ASN 17 2HB ASN 17 -0.132 6.908 -6.060 147 HB3 ASN 17 1HB ASN 17 -0.518 6.428 -7.712 148 HD21 ASN 17 1HD2 ASN 17 -0.256 9.184 -6.920 149 HD22 ASN 17 2HD2 ASN 17 -1.777 9.915 -7.086 150 H TRP 18 H TRP 18 0.166 4.523 -4.939 151 HA TRP 18 HA TRP 18 1.171 2.672 -6.775 152 HB2 TRP 18 2HB TRP 18 2.548 3.306 -4.942 153 HB3 TRP 18 1HB TRP 18 1.312 2.867 -3.766 154 HD1 TRP 18 HD TRP 18 0.813 0.255 -3.434 155 HE1 TRP 18 1HE TRP 18 2.344 -1.794 -3.705 156 HE3 TRP 18 3HE TRP 18 4.532 2.308 -6.262 157 HZ2 TRP 18 2HZ TRP 18 4.828 -2.472 -4.944 158 HZ3 TRP 18 3HZ TRP 18 6.473 0.938 -6.975 159 HH2 TRP 18 HH TRP 18 6.623 -1.450 -6.322 160 H ALA 19 H ALA 19 -1.137 2.238 -4.104 161 HA ALA 19 HA ALA 19 -1.462 -0.548 -4.379 162 HB1 ALA 19 1HB ALA 19 -3.621 -0.183 -3.180 163 HB2 ALA 19 2HB ALA 19 -3.382 1.555 -3.355 164 HB3 ALA 19 3HB ALA 19 -2.251 0.601 -2.396 165 H LYS 20 H LYS 20 -3.180 2.180 -5.853 166 HA LYS 20 HA LYS 20 -5.159 0.647 -7.179 167 HB2 LYS 20 2HB LYS 20 -5.290 3.109 -6.836 168 HB3 LYS 20 1HB LYS 20 -3.997 3.317 -8.017 169 HG2 LYS 20 2HG LYS 20 -5.375 2.242 -9.742 170 HG3 LYS 20 1HG LYS 20 -6.657 1.973 -8.561 171 HD2 LYS 20 2HD LYS 20 -6.858 4.422 -8.224 172 HD3 LYS 20 1HD LYS 20 -5.598 4.680 -9.432 173 HE2 LYS 20 2HE LYS 20 -6.994 3.584 -11.139 174 HE3 LYS 20 1HE LYS 20 -8.245 3.291 -9.934 175 HZ1 LYS 20 1HZ LYS 20 -8.587 5.299 -11.359 176 HZ2 LYS 20 2HZ LYS 20 -7.241 6.001 -10.597 177 HZ3 LYS 20 3HZ LYS 20 -8.619 5.597 -9.688 178 H SER 21 H SER 21 -1.989 1.847 -8.205 179 HA SER 21 HA SER 21 -2.063 0.964 -10.859 180 HB2 SER 21 2HB SER 21 -0.377 2.508 -10.333 181 HB3 SER 21 1HB SER 21 0.183 1.562 -8.956 182 HG SER 21 HG SER 21 1.254 1.504 -11.239 183 H HIS 22 H HIS 22 -0.882 -0.724 -7.926 184 HA HIS 22 HA HIS 22 -0.752 -3.204 -9.545 185 HB2 HIS 22 2HB HIS 22 1.050 -2.329 -7.276 186 HB3 HIS 22 1HB HIS 22 1.067 -3.929 -8.011 187 HD1 HIS 22 1HD HIS 22 1.519 -3.904 -10.720 188 HD2 HIS 22 2HD HIS 22 2.666 -0.498 -8.606 189 HE1 HIS 22 1HE HIS 22 3.135 -2.646 -12.209 190 HE2 HIS 22 2HE HIS 22 3.841 -0.564 -10.937 191 H VAL 23 H VAL 23 -2.852 -3.774 -8.966 192 HA VAL 23 HA VAL 23 -3.779 -3.854 -6.304 193 HB VAL 23 HB VAL 23 -5.570 -5.339 -7.200 194 HG11 VAL 23 1HG1 VAL 23 -6.291 -3.687 -9.043 195 HG12 VAL 23 2HG1 VAL 23 -4.779 -2.840 -8.713 196 HG13 VAL 23 3HG1 VAL 23 -5.989 -3.014 -7.443 197 HG21 VAL 23 1HG2 VAL 23 -3.697 -5.316 -9.580 198 HG22 VAL 23 2HG2 VAL 23 -5.426 -5.592 -9.790 199 HG23 VAL 23 3HG2 VAL 23 -4.475 -6.696 -8.803 200 H GLY 24 H GLY 24 -1.752 -5.906 -8.183 201 HA2 GLY 24 2HA GLY 24 -2.116 -8.371 -6.856 202 HA3 GLY 24 1HA GLY 24 -0.661 -7.880 -7.720 203 H LYS 25 H LYS 25 -0.033 -5.576 -6.178 204 HA LYS 25 HA LYS 25 1.442 -6.746 -4.068 205 HB2 LYS 25 2HB LYS 25 0.697 -3.835 -4.491 206 HB3 LYS 25 1HB LYS 25 1.930 -4.420 -3.381 207 HG2 LYS 25 2HG LYS 25 2.054 -5.113 -6.316 208 HG3 LYS 25 1HG LYS 25 2.688 -3.579 -5.720 209 HD2 LYS 25 2HD LYS 25 4.155 -4.809 -4.143 210 HD3 LYS 25 1HD LYS 25 3.549 -6.339 -4.773 211 HE2 LYS 25 2HE LYS 25 4.388 -5.749 -7.023 212 HE3 LYS 25 1HE LYS 25 5.009 -4.231 -6.389 213 HZ1 LYS 25 1HZ LYS 25 6.838 -5.612 -6.304 214 HZ2 LYS 25 2HZ LYS 25 5.934 -6.978 -5.854 215 HZ3 LYS 25 3HZ LYS 25 6.236 -5.745 -4.724 216 H VAL 26 H VAL 26 -1.631 -5.044 -4.189 217 HA VAL 26 HA VAL 26 -2.074 -4.814 -1.421 218 HB VAL 26 HB VAL 26 -3.993 -5.009 -3.737 219 HG11 VAL 26 1HG1 VAL 26 -5.241 -5.723 -1.837 220 HG12 VAL 26 2HG1 VAL 26 -5.597 -4.006 -1.996 221 HG13 VAL 26 3HG1 VAL 26 -4.444 -4.560 -0.780 222 HG21 VAL 26 1HG2 VAL 26 -2.425 -3.022 -3.541 223 HG22 VAL 26 2HG2 VAL 26 -3.197 -2.653 -2.000 224 HG23 VAL 26 3HG2 VAL 26 -4.139 -2.605 -3.490 225 H TRP 27 H TRP 27 -2.999 -7.272 -3.759 226 HA TRP 27 HA TRP 27 -4.377 -8.964 -1.956 227 HB2 TRP 27 2HB TRP 27 -2.989 -9.481 -4.580 228 HB3 TRP 27 1HB TRP 27 -3.802 -10.761 -3.681 229 HD1 TRP 27 HD TRP 27 -4.477 -8.270 -6.249 230 HE1 TRP 27 1HE TRP 27 -7.007 -7.831 -6.497 231 HE3 TRP 27 3HE TRP 27 -6.176 -10.504 -1.986 232 HZ2 TRP 27 2HZ TRP 27 -9.435 -8.350 -5.062 233 HZ3 TRP 27 3HZ TRP 27 -8.593 -10.515 -1.447 234 HH2 TRP 27 HH TRP 27 -10.223 -9.444 -2.978 235 H GLU 28 H GLU 28 -0.984 -8.886 -2.987 236 HA GLU 28 HA GLU 28 -0.078 -11.190 -1.709 237 HB2 GLU 28 2HB GLU 28 1.226 -9.841 -3.361 238 HB3 GLU 28 1HB GLU 28 1.474 -8.618 -2.117 239 HG2 GLU 28 2HG GLU 28 3.424 -10.033 -2.123 240 HG3 GLU 28 1HG GLU 28 2.503 -10.429 -0.672 241 H TRP 29 H TRP 29 -0.253 -7.815 -0.446 242 HA TRP 29 HA TRP 29 0.930 -8.524 2.042 243 HB2 TRP 29 2HB TRP 29 -1.059 -6.295 1.779 244 HB3 TRP 29 1HB TRP 29 0.308 -6.424 2.870 245 HD1 TRP 29 HD TRP 29 -0.615 -4.395 0.235 246 HE1 TRP 29 1HE TRP 29 1.330 -3.578 -1.235 247 HE3 TRP 29 3HE TRP 29 3.014 -7.717 1.632 248 HZ2 TRP 29 2HZ TRP 29 4.055 -4.223 -1.737 249 HZ3 TRP 29 3HZ TRP 29 5.269 -7.569 0.652 250 HH2 TRP 29 HH TRP 29 5.802 -5.831 -1.028 251 H LEU 30 H LEU 30 -2.416 -8.419 0.898 252 HA LEU 30 HA LEU 30 -3.611 -8.865 3.423 253 HB2 LEU 30 2HB LEU 30 -4.485 -9.154 0.590 254 HB3 LEU 30 1HB LEU 30 -5.435 -9.998 1.806 255 HG LEU 30 HG LEU 30 -6.145 -7.587 1.190 256 HD11 LEU 30 1HD1 LEU 30 -5.624 -8.068 4.132 257 HD12 LEU 30 2HD1 LEU 30 -6.865 -8.933 3.228 258 HD13 LEU 30 3HD1 LEU 30 -6.954 -7.183 3.394 259 HD21 LEU 30 1HD2 LEU 30 -4.939 -5.776 1.949 260 HD22 LEU 30 2HD2 LEU 30 -3.609 -6.857 1.549 261 HD23 LEU 30 3HD2 LEU 30 -4.134 -6.676 3.226 262 H LYS 31 H LYS 31 -2.497 -11.134 0.965 263 HA LYS 31 HA LYS 31 -3.343 -13.490 2.281 264 HB2 LYS 31 2HB LYS 31 -2.602 -13.382 -0.098 265 HB3 LYS 31 1HB LYS 31 -0.949 -13.133 0.456 266 HG2 LYS 31 2HG LYS 31 -2.370 -15.484 1.623 267 HG3 LYS 31 1HG LYS 31 -1.986 -15.589 -0.092 268 HD2 LYS 31 2HD LYS 31 0.384 -15.066 0.417 269 HD3 LYS 31 1HD LYS 31 -0.004 -15.016 2.132 270 HE2 LYS 31 2HE LYS 31 -0.761 -17.356 2.044 271 HE3 LYS 31 1HE LYS 31 -0.371 -17.416 0.323 272 HZ1 LYS 31 1HZ LYS 31 1.879 -17.275 0.739 273 HZ2 LYS 31 2HZ LYS 31 1.349 -18.249 2.025 274 HZ3 LYS 31 3HZ LYS 31 1.671 -16.601 2.282 275 H SER 32 H SER 32 -0.303 -11.636 2.402 276 HA SER 32 HA SER 32 1.020 -13.396 4.227 277 HB2 SER 32 2HB SER 32 2.640 -11.544 4.489 278 HB3 SER 32 1HB SER 32 2.292 -11.875 2.796 279 HG SER 32 HG SER 32 1.861 -9.632 4.254 280 H GLY 33 H GLY 33 -1.175 -10.704 4.591 281 HA2 GLY 33 2HA GLY 33 -2.466 -10.218 6.477 282 HA3 GLY 33 1HA GLY 33 -1.457 -11.300 7.423 283 H ALA 34 H ALA 34 0.164 -9.005 5.446 284 HA ALA 34 HA ALA 34 1.492 -7.795 7.637 285 HB1 ALA 34 1HB ALA 34 1.293 -6.430 4.974 286 HB2 ALA 34 2HB ALA 34 2.166 -7.958 5.104 287 HB3 ALA 34 3HB ALA 34 2.676 -6.568 6.059 288 H THR 35 H THR 35 1.357 -5.664 8.427 289 HA THR 35 HA THR 35 -1.348 -4.674 8.652 290 HB THR 35 HB THR 35 -0.428 -3.097 10.260 291 HG1 THR 35 1HG THR 35 1.633 -3.062 8.835 292 HG21 THR 35 1HG2 THR 35 -0.804 -5.290 11.141 293 HG22 THR 35 2HG2 THR 35 0.754 -4.753 11.767 294 HG23 THR 35 3HG2 THR 35 0.685 -5.897 10.426 295 H TYR 36 H TYR 36 -1.878 -2.404 8.330 296 HA TYR 36 HA TYR 36 -1.342 -1.539 5.709 297 HB2 TYR 36 2HB TYR 36 -2.235 0.317 7.916 298 HB3 TYR 36 1HB TYR 36 -2.686 0.336 6.217 299 HD1 TYR 36 1HD TYR 36 -3.211 -2.761 6.057 300 HD2 TYR 36 2HD TYR 36 -4.467 0.318 8.778 301 HE1 TYR 36 1HE TYR 36 -5.251 -4.049 6.569 302 HE2 TYR 36 2HE TYR 36 -6.503 -0.985 9.301 303 HH TYR 36 HH TYR 36 -7.820 -2.686 8.539 304 H GLU 37 H GLU 37 0.019 -0.525 8.829 305 HA GLU 37 HA GLU 37 1.530 1.627 7.868 306 HB2 GLU 37 2HB GLU 37 1.994 -0.209 10.214 307 HB3 GLU 37 1HB GLU 37 2.935 1.251 9.902 308 HG2 GLU 37 2HG GLU 37 0.921 2.628 10.023 309 HG3 GLU 37 1HG GLU 37 -0.084 1.191 10.212 310 H GLN 38 H GLN 38 2.520 -1.777 8.363 311 HA GLN 38 HA GLN 38 5.168 -1.412 7.483 312 HB2 GLN 38 2HB GLN 38 4.366 -3.375 8.748 313 HB3 GLN 38 1HB GLN 38 3.477 -3.914 7.325 314 HG2 GLN 38 2HG GLN 38 5.581 -4.027 6.058 315 HG3 GLN 38 1HG GLN 38 6.478 -3.486 7.473 316 HE21 GLN 38 1HE2 GLN 38 7.427 -5.189 8.571 317 HE22 GLN 38 2HE2 GLN 38 6.807 -6.766 8.671 318 H ILE 39 H ILE 39 2.183 -2.200 5.715 319 HA ILE 39 HA ILE 39 3.406 -2.780 3.228 320 HB ILE 39 HB ILE 39 0.635 -1.737 3.858 321 HG12 ILE 39 2HG1 ILE 39 1.518 -4.506 3.040 322 HG13 ILE 39 1HG1 ILE 39 1.500 -4.025 4.726 323 HG21 ILE 39 1HG2 ILE 39 1.863 -2.842 1.308 324 HG22 ILE 39 2HG2 ILE 39 1.143 -1.244 1.529 325 HG23 ILE 39 3HG2 ILE 39 0.128 -2.683 1.569 326 HD11 ILE 39 1HD1 ILE 39 -0.956 -3.306 4.289 327 HD12 ILE 39 2HD1 ILE 39 -0.625 -5.025 4.404 328 HD13 ILE 39 3HD1 ILE 39 -0.833 -4.273 2.822 329 H LYS 40 H LYS 40 2.129 0.334 4.555 330 HA LYS 40 HA LYS 40 2.775 1.703 2.132 331 HB2 LYS 40 2HB LYS 40 2.706 3.844 3.273 332 HB3 LYS 40 1HB LYS 40 1.240 2.874 3.617 333 HG2 LYS 40 2HG LYS 40 2.148 2.243 5.784 334 HG3 LYS 40 1HG LYS 40 3.655 3.095 5.444 335 HD2 LYS 40 2HD LYS 40 2.282 5.204 5.144 336 HD3 LYS 40 1HD LYS 40 0.887 4.309 5.754 337 HE2 LYS 40 2HE LYS 40 2.026 3.905 7.872 338 HE3 LYS 40 1HE LYS 40 3.497 4.662 7.264 339 HZ1 LYS 40 1HZ LYS 40 1.017 6.221 7.148 340 HZ2 LYS 40 2HZ LYS 40 2.616 6.731 7.423 341 HZ3 LYS 40 3HZ LYS 40 1.732 5.998 8.672 342 H GLU 41 H GLU 41 4.556 1.003 5.095 343 HA GLU 41 HA GLU 41 6.739 2.676 4.720 344 HB2 GLU 41 2HB GLU 41 6.377 1.318 6.755 345 HB3 GLU 41 1HB GLU 41 6.753 -0.142 5.834 346 HG2 GLU 41 2HG GLU 41 8.991 0.762 5.324 347 HG3 GLU 41 1HG GLU 41 8.613 2.215 6.254 348 H TRP 42 H TRP 42 6.257 -0.688 3.531 349 HA TRP 42 HA TRP 42 8.714 -0.844 2.123 350 HB2 TRP 42 2HB TRP 42 6.058 -2.215 1.573 351 HB3 TRP 42 1HB TRP 42 7.574 -2.636 0.790 352 HD1 TRP 42 HD TRP 42 9.406 -2.501 3.484 353 HE1 TRP 42 1HE TRP 42 9.197 -4.420 5.178 354 HE3 TRP 42 3HE TRP 42 4.830 -4.361 2.166 355 HZ2 TRP 42 2HZ TRP 42 7.354 -6.484 5.885 356 HZ3 TRP 42 3HZ TRP 42 3.883 -6.307 3.368 357 HH2 TRP 42 HH TRP 42 5.135 -7.377 5.226 358 H ILE 43 H ILE 43 5.470 0.199 1.137 359 HA ILE 43 HA ILE 43 6.055 0.571 -1.594 360 HB ILE 43 HB ILE 43 3.979 1.836 0.200 361 HG12 ILE 43 2HG1 ILE 43 3.683 -0.261 -1.962 362 HG13 ILE 43 1HG1 ILE 43 3.924 -0.673 -0.262 363 HG21 ILE 43 1HG2 ILE 43 2.862 2.349 -2.035 364 HG22 ILE 43 2HG2 ILE 43 4.433 2.043 -2.776 365 HG23 ILE 43 3HG2 ILE 43 4.246 3.355 -1.610 366 HD11 ILE 43 1HD1 ILE 43 1.516 -0.649 -0.865 367 HD12 ILE 43 2HD1 ILE 43 1.665 1.046 -1.342 368 HD13 ILE 43 3HD1 ILE 43 1.899 0.579 0.345 369 H GLU 44 H GLU 44 6.131 2.913 1.089 370 HA GLU 44 HA GLU 44 6.788 5.047 -0.591 371 HB2 GLU 44 2HB GLU 44 7.305 6.301 1.506 372 HB3 GLU 44 1HB GLU 44 5.721 5.514 1.517 373 HG2 GLU 44 2HG GLU 44 6.474 4.948 3.602 374 HG3 GLU 44 1HG GLU 44 7.021 3.596 2.663 375 H ASN 45 H ASN 45 8.827 2.659 1.161 376 HA ASN 45 HA ASN 45 11.285 3.965 0.677 377 HB2 ASN 45 2HB ASN 45 10.509 1.086 1.137 378 HB3 ASN 45 1HB ASN 45 12.182 1.557 0.845 379 HD21 ASN 45 1HD2 ASN 45 11.422 0.451 3.348 380 HD22 ASN 45 2HD2 ASN 45 11.538 1.661 4.534 381 H ALA 46 H ALA 46 9.426 1.604 -1.227 382 HA ALA 46 HA ALA 46 11.322 1.293 -3.319 383 HB1 ALA 46 1HB ALA 46 9.488 0.346 -4.592 384 HB2 ALA 46 2HB ALA 46 8.307 1.066 -3.498 385 HB3 ALA 46 3HB ALA 46 9.369 -0.218 -2.926 386 H LEU 47 H LEU 47 8.562 3.497 -2.882 387 HA LEU 47 HA LEU 47 8.602 4.725 -5.373 388 HB2 LEU 47 2HB LEU 47 6.986 4.909 -3.287 389 HB3 LEU 47 1HB LEU 47 8.000 6.280 -2.880 390 HG LEU 47 HG LEU 47 6.206 7.199 -4.122 391 HD11 LEU 47 1HD1 LEU 47 8.543 7.871 -4.852 392 HD12 LEU 47 2HD1 LEU 47 7.259 8.185 -6.015 393 HD13 LEU 47 3HD1 LEU 47 8.329 6.804 -6.239 394 HD21 LEU 47 1HD2 LEU 47 5.544 4.871 -5.050 395 HD22 LEU 47 2HD2 LEU 47 6.627 5.247 -6.394 396 HD23 LEU 47 3HD2 LEU 47 5.234 6.277 -6.067 397 H GLY 48 H GLY 48 10.367 5.553 -2.381 398 HA2 GLY 48 2HA GLY 48 11.636 7.880 -3.383 399 HA3 GLY 48 1HA GLY 48 12.155 6.949 -1.980 400 H TRP 49 H TRP 49 12.668 4.471 -3.227 401 HA TRP 49 HA TRP 49 14.622 5.026 -5.342 402 HB2 TRP 49 2HB TRP 49 16.461 4.041 -4.183 403 HB3 TRP 49 1HB TRP 49 15.755 5.208 -3.067 404 HD1 TRP 49 HD TRP 49 14.451 4.307 -0.977 405 HE1 TRP 49 1HE TRP 49 14.362 2.000 0.167 406 HE3 TRP 49 3HE TRP 49 16.594 1.424 -4.617 407 HZ2 TRP 49 2HZ TRP 49 15.098 -0.704 -0.383 408 HZ3 TRP 49 3HZ TRP 49 16.891 -1.014 -4.274 409 HH2 TRP 49 HH TRP 49 16.146 -2.079 -2.162 410 H ARG 50 H ARG 50 15.344 3.100 -6.434 411 HA ARG 50 HA ARG 50 13.866 0.623 -5.879 412 HB2 ARG 50 2HB ARG 50 12.484 1.901 -7.505 413 HB3 ARG 50 1HB ARG 50 13.866 1.953 -8.602 414 HG2 ARG 50 2HG ARG 50 13.924 -0.506 -8.671 415 HG3 ARG 50 1HG ARG 50 12.557 -0.575 -7.554 416 HD2 ARG 50 2HD ARG 50 11.145 0.599 -9.171 417 HD3 ARG 50 1HD ARG 50 12.506 0.757 -10.279 418 HE ARG 50 HE ARG 50 12.276 -1.516 -10.828 419 HH11 ARG 50 1HH1 ARG 50 11.059 -3.433 -10.850 420 HH12 ARG 50 2HH1 ARG 50 9.779 -3.654 -9.704 421 HH21 ARG 50 1HH2 ARG 50 10.251 -0.572 -8.187 422 HH22 ARG 50 2HH2 ARG 50 9.315 -2.029 -8.204 Start of MODEL 7 1 H FME 1 H FME 1 -11.566 -5.044 1.871 2 HCN FME 1 HF FME 1 -11.598 -4.141 4.027 3 HA FME 1 HA FME 1 -9.117 -3.970 1.195 4 HB2 FME 1 1HB FME 1 -11.519 -4.112 -0.635 5 HB3 FME 1 2HB FME 1 -10.472 -5.477 -0.252 6 HG2 FME 1 1HG FME 1 -8.539 -3.910 -1.030 7 HG3 FME 1 2HG FME 1 -9.824 -2.969 -1.793 8 HE1 FME 1 1HE FME 1 -8.515 -4.627 -4.894 9 HE2 FME 1 2HE FME 1 -7.413 -4.422 -3.536 10 HE3 FME 1 3HE FME 1 -8.634 -3.195 -3.865 11 H ALA 2 H ALA 2 -12.299 -2.424 1.039 12 HA ALA 2 HA ALA 2 -11.434 0.020 -0.072 13 HB1 ALA 2 1HB ALA 2 -13.547 0.915 0.685 14 HB2 ALA 2 2HB ALA 2 -13.729 -0.386 1.864 15 HB3 ALA 2 3HB ALA 2 -13.823 -0.737 0.137 16 H GLY 3 H GLY 3 -11.694 -1.105 3.297 17 HA2 GLY 3 2HA GLY 3 -11.045 1.344 4.552 18 HA3 GLY 3 1HA GLY 3 -10.795 -0.252 5.254 19 H LEU 4 H LEU 4 -9.051 -1.303 3.345 20 HA LEU 4 HA LEU 4 -6.553 -0.420 4.267 21 HB2 LEU 4 2HB LEU 4 -7.035 -2.676 3.438 22 HB3 LEU 4 1HB LEU 4 -7.357 -2.052 1.836 23 HG LEU 4 HG LEU 4 -5.061 -3.204 2.419 24 HD11 LEU 4 1HD1 LEU 4 -5.289 -0.681 0.779 25 HD12 LEU 4 2HD1 LEU 4 -5.579 -2.324 0.241 26 HD13 LEU 4 3HD1 LEU 4 -3.955 -1.818 0.686 27 HD21 LEU 4 1HD2 LEU 4 -3.312 -1.803 3.167 28 HD22 LEU 4 2HD2 LEU 4 -4.611 -1.558 4.319 29 HD23 LEU 4 3HD2 LEU 4 -4.301 -0.360 3.073 30 H LEU 5 H LEU 5 -8.290 0.202 1.250 31 HA LEU 5 HA LEU 5 -6.298 1.792 0.039 32 HB2 LEU 5 2HB LEU 5 -9.292 1.701 -0.310 33 HB3 LEU 5 1HB LEU 5 -8.222 2.661 -1.332 34 HG LEU 5 HG LEU 5 -7.958 -0.325 -0.914 35 HD11 LEU 5 1HD1 LEU 5 -10.060 0.275 -2.108 36 HD12 LEU 5 2HD1 LEU 5 -8.918 -0.549 -3.170 37 HD13 LEU 5 3HD1 LEU 5 -9.115 1.200 -3.276 38 HD21 LEU 5 1HD2 LEU 5 -5.850 0.326 -1.616 39 HD22 LEU 5 2HD2 LEU 5 -6.447 1.760 -2.452 40 HD23 LEU 5 3HD2 LEU 5 -6.631 0.168 -3.180 41 H ARG 6 H ARG 6 -9.074 2.637 2.067 42 HA ARG 6 HA ARG 6 -8.772 5.436 1.903 43 HB2 ARG 6 2HB ARG 6 -10.762 4.304 2.845 44 HB3 ARG 6 1HB ARG 6 -9.814 3.823 4.246 45 HG2 ARG 6 2HG ARG 6 -9.777 6.731 3.570 46 HG3 ARG 6 1HG ARG 6 -11.304 6.090 4.167 47 HD2 ARG 6 2HD ARG 6 -10.105 5.149 6.141 48 HD3 ARG 6 1HD ARG 6 -8.622 5.901 5.574 49 HE ARG 6 HE ARG 6 -10.706 7.838 5.785 50 HH11 ARG 6 1HH1 ARG 6 -10.546 9.322 7.502 51 HH12 ARG 6 2HH1 ARG 6 -9.554 8.948 8.872 52 HH21 ARG 6 1HH2 ARG 6 -8.546 5.867 7.614 53 HH22 ARG 6 2HH2 ARG 6 -8.404 6.983 8.930 54 H PHE 7 H PHE 7 -7.388 3.081 4.169 55 HA PHE 7 HA PHE 7 -6.114 4.885 5.878 56 HB2 PHE 7 2HB PHE 7 -6.420 2.450 6.299 57 HB3 PHE 7 1HB PHE 7 -5.179 2.118 5.090 58 HD1 PHE 7 1HD PHE 7 -2.867 2.310 5.612 59 HD2 PHE 7 2HD PHE 7 -5.817 3.830 8.337 60 HE1 PHE 7 1HE PHE 7 -1.115 2.607 7.341 61 HE2 PHE 7 2HE PHE 7 -4.065 4.119 10.065 62 HZ PHE 7 HZ PHE 7 -1.717 3.504 9.570 63 H LEU 8 H LEU 8 -4.944 3.268 2.933 64 HA LEU 8 HA LEU 8 -2.337 4.366 3.078 65 HB2 LEU 8 2HB LEU 8 -3.963 3.356 0.745 66 HB3 LEU 8 1HB LEU 8 -2.291 3.882 0.586 67 HG LEU 8 HG LEU 8 -3.025 1.847 2.684 68 HD11 LEU 8 1HD1 LEU 8 -2.684 0.046 1.107 69 HD12 LEU 8 2HD1 LEU 8 -2.278 1.182 -0.177 70 HD13 LEU 8 3HD1 LEU 8 -3.926 1.103 0.437 71 HD21 LEU 8 1HD2 LEU 8 -0.509 1.808 1.038 72 HD22 LEU 8 2HD2 LEU 8 -0.752 1.395 2.733 73 HD23 LEU 8 3HD2 LEU 8 -0.683 3.076 2.244 74 H LEU 9 H LEU 9 -5.300 5.538 1.510 75 HA LEU 9 HA LEU 9 -4.157 7.763 0.194 76 HB2 LEU 9 2HB LEU 9 -6.406 6.889 -0.246 77 HB3 LEU 9 1HB LEU 9 -6.948 7.483 1.312 78 HG LEU 9 HG LEU 9 -6.309 9.801 0.613 79 HD11 LEU 9 1HD1 LEU 9 -4.678 9.655 -1.037 80 HD12 LEU 9 2HD1 LEU 9 -6.102 9.922 -2.039 81 HD13 LEU 9 3HD1 LEU 9 -5.458 8.290 -1.835 82 HD21 LEU 9 1HD2 LEU 9 -8.213 8.362 -1.269 83 HD22 LEU 9 2HD2 LEU 9 -8.183 10.102 -0.976 84 HD23 LEU 9 3HD2 LEU 9 -8.629 8.998 0.323 85 H SER 10 H SER 10 -5.623 7.453 3.426 86 HA SER 10 HA SER 10 -5.460 10.175 4.129 87 HB2 SER 10 2HB SER 10 -6.765 8.516 5.424 88 HB3 SER 10 1HB SER 10 -5.264 7.749 5.933 89 HG SER 10 HG SER 10 -5.526 9.138 7.522 90 H LYS 11 H LYS 11 -3.132 7.499 4.426 91 HA LYS 11 HA LYS 11 -1.212 9.081 5.878 92 HB2 LYS 11 2HB LYS 11 -0.897 6.533 4.285 93 HB3 LYS 11 1HB LYS 11 0.365 7.234 5.293 94 HG2 LYS 11 2HG LYS 11 -2.381 6.467 6.329 95 HG3 LYS 11 1HG LYS 11 -0.970 5.412 6.426 96 HD2 LYS 11 2HD LYS 11 0.169 7.483 7.574 97 HD3 LYS 11 1HD LYS 11 -1.486 8.017 7.851 98 HE2 LYS 11 2HE LYS 11 -0.471 5.284 8.649 99 HE3 LYS 11 1HE LYS 11 -0.516 6.674 9.738 100 HZ1 LYS 11 1HZ LYS 11 -2.490 5.234 9.905 101 HZ2 LYS 11 2HZ LYS 11 -2.877 5.604 8.295 102 HZ3 LYS 11 3HZ LYS 11 -2.872 6.829 9.472 103 H GLY 12 H GLY 12 -1.551 8.234 2.452 104 HA2 GLY 12 2HA GLY 12 -0.245 10.644 1.629 105 HA3 GLY 12 1HA GLY 12 0.783 9.235 1.406 106 H ARG 13 H ARG 13 -0.263 10.929 -0.654 107 HA ARG 13 HA ARG 13 -2.441 9.592 -1.984 108 HB2 ARG 13 2HB ARG 13 -0.491 11.755 -2.792 109 HB3 ARG 13 1HB ARG 13 -1.729 11.134 -3.887 110 HG2 ARG 13 2HG ARG 13 -3.468 11.722 -2.212 111 HG3 ARG 13 1HG ARG 13 -2.212 12.373 -1.160 112 HD2 ARG 13 2HD ARG 13 -1.596 14.003 -2.922 113 HD3 ARG 13 1HD ARG 13 -2.888 13.374 -3.942 114 HE ARG 13 HE ARG 13 -3.208 15.060 -1.576 115 HH11 ARG 13 1HH1 ARG 13 -5.335 15.870 -1.290 116 HH12 ARG 13 2HH1 ARG 13 -6.636 15.196 -2.216 117 HH21 ARG 13 1HH2 ARG 13 -4.601 12.913 -3.885 118 HH22 ARG 13 2HH2 ARG 13 -6.218 13.503 -3.690 119 H ALA 14 H ALA 14 1.036 9.571 -2.041 120 HA ALA 14 HA ALA 14 1.474 8.205 -4.440 121 HB1 ALA 14 1HB ALA 14 3.407 9.107 -3.576 122 HB2 ALA 14 2HB ALA 14 3.608 7.436 -3.055 123 HB3 ALA 14 3HB ALA 14 3.004 8.648 -1.925 124 H LEU 15 H LEU 15 1.008 6.964 -1.140 125 HA LEU 15 HA LEU 15 1.448 4.246 -1.699 126 HB2 LEU 15 2HB LEU 15 -0.478 5.389 0.324 127 HB3 LEU 15 1HB LEU 15 0.353 3.839 0.384 128 HG LEU 15 HG LEU 15 1.803 6.494 0.359 129 HD11 LEU 15 1HD1 LEU 15 2.158 5.902 2.842 130 HD12 LEU 15 2HD1 LEU 15 0.784 4.813 2.652 131 HD13 LEU 15 3HD1 LEU 15 0.586 6.546 2.385 132 HD21 LEU 15 1HD2 LEU 15 3.557 4.898 1.458 133 HD22 LEU 15 2HD2 LEU 15 3.335 4.835 -0.285 134 HD23 LEU 15 3HD2 LEU 15 2.594 3.608 0.739 135 H TYR 16 H TYR 16 -1.493 6.238 -1.789 136 HA TYR 16 HA TYR 16 -3.353 4.184 -2.337 137 HB2 TYR 16 2HB TYR 16 -4.104 6.391 -1.649 138 HB3 TYR 16 1HB TYR 16 -3.423 7.110 -3.109 139 HD1 TYR 16 1HD TYR 16 -4.680 7.187 -5.114 140 HD2 TYR 16 2HD TYR 16 -5.892 4.564 -1.934 141 HE1 TYR 16 1HE TYR 16 -6.779 6.680 -6.330 142 HE2 TYR 16 2HE TYR 16 -7.993 4.065 -3.151 143 HH TYR 16 HH TYR 16 -8.448 4.798 -6.392 144 H ASN 17 H ASN 17 -1.505 6.315 -4.480 145 HA ASN 17 HA ASN 17 -2.595 5.409 -6.912 146 HB2 ASN 17 2HB ASN 17 -1.256 7.464 -6.758 147 HB3 ASN 17 1HB ASN 17 0.173 6.514 -6.356 148 HD21 ASN 17 1HD2 ASN 17 0.280 8.145 -8.636 149 HD22 ASN 17 2HD2 ASN 17 0.254 7.173 -10.028 150 H TRP 18 H TRP 18 0.225 4.292 -5.052 151 HA TRP 18 HA TRP 18 1.138 2.373 -6.886 152 HB2 TRP 18 2HB TRP 18 2.536 3.024 -5.049 153 HB3 TRP 18 1HB TRP 18 1.315 2.528 -3.875 154 HD1 TRP 18 HD TRP 18 1.133 0.034 -3.264 155 HE1 TRP 18 1HE TRP 18 2.542 -2.047 -3.821 156 HE3 TRP 18 3HE TRP 18 4.049 1.919 -6.995 157 HZ2 TRP 18 2HZ TRP 18 4.628 -2.813 -5.601 158 HZ3 TRP 18 3HZ TRP 18 5.742 0.493 -8.103 159 HH2 TRP 18 HH TRP 18 6.036 -1.871 -7.412 160 H ALA 19 H ALA 19 -1.179 2.101 -4.198 161 HA ALA 19 HA ALA 19 -1.613 -0.676 -4.391 162 HB1 ALA 19 1HB ALA 19 -3.880 -0.071 -3.321 163 HB2 ALA 19 2HB ALA 19 -3.284 1.590 -3.314 164 HB3 ALA 19 3HB ALA 19 -2.417 0.339 -2.424 165 H LYS 20 H LYS 20 -3.226 2.058 -5.945 166 HA LYS 20 HA LYS 20 -5.266 0.576 -7.232 167 HB2 LYS 20 2HB LYS 20 -5.264 3.061 -6.945 168 HB3 LYS 20 1HB LYS 20 -3.985 3.160 -8.159 169 HG2 LYS 20 2HG LYS 20 -5.436 2.141 -9.834 170 HG3 LYS 20 1HG LYS 20 -6.701 1.901 -8.629 171 HD2 LYS 20 2HD LYS 20 -6.853 4.344 -8.299 172 HD3 LYS 20 1HD LYS 20 -5.609 4.586 -9.527 173 HE2 LYS 20 2HE LYS 20 -8.275 3.216 -9.991 174 HE3 LYS 20 1HE LYS 20 -7.897 4.874 -10.455 175 HZ1 LYS 20 1HZ LYS 20 -6.901 2.352 -11.578 176 HZ2 LYS 20 2HZ LYS 20 -5.900 3.723 -11.637 177 HZ3 LYS 20 3HZ LYS 20 -7.429 3.752 -12.376 178 H SER 21 H SER 21 -2.033 1.608 -8.274 179 HA SER 21 HA SER 21 -2.155 0.691 -10.916 180 HB2 SER 21 2HB SER 21 -0.409 2.174 -10.426 181 HB3 SER 21 1HB SER 21 0.134 1.226 -9.044 182 HG SER 21 HG SER 21 0.250 -0.428 -11.021 183 H HIS 22 H HIS 22 -1.049 -0.959 -7.952 184 HA HIS 22 HA HIS 22 -1.061 -3.492 -9.514 185 HB2 HIS 22 2HB HIS 22 0.878 -2.571 -7.385 186 HB3 HIS 22 1HB HIS 22 0.712 -4.261 -7.870 187 HD1 HIS 22 1HD HIS 22 1.723 -0.887 -9.221 188 HD2 HIS 22 2HD HIS 22 1.816 -4.883 -10.400 189 HE1 HIS 22 1HE HIS 22 3.150 -0.983 -11.309 190 HE2 HIS 22 2HE HIS 22 3.212 -3.413 -12.045 191 H VAL 23 H VAL 23 -3.224 -3.850 -8.862 192 HA VAL 23 HA VAL 23 -4.065 -3.860 -6.151 193 HB VAL 23 HB VAL 23 -5.979 -5.203 -6.973 194 HG11 VAL 23 1HG1 VAL 23 -6.610 -3.545 -8.849 195 HG12 VAL 23 2HG1 VAL 23 -5.040 -2.805 -8.536 196 HG13 VAL 23 3HG1 VAL 23 -6.253 -2.877 -7.258 197 HG21 VAL 23 1HG2 VAL 23 -4.348 -5.227 -9.533 198 HG22 VAL 23 2HG2 VAL 23 -6.046 -5.699 -9.433 199 HG23 VAL 23 3HG2 VAL 23 -4.821 -6.630 -8.572 200 H GLY 24 H GLY 24 -2.277 -6.018 -8.116 201 HA2 GLY 24 2HA GLY 24 -2.699 -8.454 -6.746 202 HA3 GLY 24 1HA GLY 24 -1.293 -8.060 -7.737 203 H LYS 25 H LYS 25 -0.357 -5.795 -6.257 204 HA LYS 25 HA LYS 25 1.194 -7.070 -4.272 205 HB2 LYS 25 2HB LYS 25 0.574 -4.133 -4.697 206 HB3 LYS 25 1HB LYS 25 1.811 -4.742 -3.599 207 HG2 LYS 25 2HG LYS 25 1.843 -5.679 -6.448 208 HG3 LYS 25 1HG LYS 25 2.435 -4.055 -6.092 209 HD2 LYS 25 2HD LYS 25 4.075 -4.922 -4.539 210 HD3 LYS 25 1HD LYS 25 3.390 -6.545 -4.652 211 HE2 LYS 25 2HE LYS 25 5.392 -6.406 -6.045 212 HE3 LYS 25 1HE LYS 25 3.969 -6.590 -7.071 213 HZ1 LYS 25 1HZ LYS 25 4.972 -4.848 -8.104 214 HZ2 LYS 25 2HZ LYS 25 5.696 -4.259 -6.685 215 HZ3 LYS 25 3HZ LYS 25 4.046 -3.979 -6.981 216 H VAL 26 H VAL 26 -1.741 -5.109 -4.102 217 HA VAL 26 HA VAL 26 -1.967 -4.867 -1.319 218 HB VAL 26 HB VAL 26 -4.050 -4.925 -3.506 219 HG11 VAL 26 1HG1 VAL 26 -4.299 -4.391 -0.541 220 HG12 VAL 26 2HG1 VAL 26 -5.270 -5.474 -1.540 221 HG13 VAL 26 3HG1 VAL 26 -5.442 -3.726 -1.706 222 HG21 VAL 26 1HG2 VAL 26 -3.066 -2.582 -1.869 223 HG22 VAL 26 2HG2 VAL 26 -3.945 -2.550 -3.397 224 HG23 VAL 26 3HG2 VAL 26 -2.262 -3.073 -3.361 225 H TRP 27 H TRP 27 -3.271 -7.231 -3.567 226 HA TRP 27 HA TRP 27 -4.656 -8.817 -1.700 227 HB2 TRP 27 2HB TRP 27 -3.506 -9.360 -4.430 228 HB3 TRP 27 1HB TRP 27 -4.280 -10.639 -3.494 229 HD1 TRP 27 HD TRP 27 -5.357 -6.943 -3.714 230 HE1 TRP 27 1HE TRP 27 -7.782 -6.861 -4.590 231 HE3 TRP 27 3HE TRP 27 -6.143 -11.905 -4.644 232 HZ2 TRP 27 2HZ TRP 27 -9.791 -8.654 -5.542 233 HZ3 TRP 27 3HZ TRP 27 -8.327 -12.689 -5.525 234 HH2 TRP 27 HH TRP 27 -10.152 -11.069 -5.974 235 H GLU 28 H GLU 28 -1.341 -9.037 -2.965 236 HA GLU 28 HA GLU 28 -0.554 -11.404 -1.731 237 HB2 GLU 28 2HB GLU 28 0.615 -9.856 -3.492 238 HB3 GLU 28 1HB GLU 28 1.346 -9.111 -2.072 239 HG2 GLU 28 2HG GLU 28 1.427 -12.075 -2.693 240 HG3 GLU 28 1HG GLU 28 2.744 -10.940 -3.012 241 H TRP 29 H TRP 29 -0.287 -8.033 -0.522 242 HA TRP 29 HA TRP 29 1.040 -8.802 1.878 243 HB2 TRP 29 2HB TRP 29 -0.713 -6.371 1.644 244 HB3 TRP 29 1HB TRP 29 0.666 -6.616 2.707 245 HD1 TRP 29 HD TRP 29 -0.128 -4.636 -0.024 246 HE1 TRP 29 1HE TRP 29 1.833 -4.150 -1.614 247 HE3 TRP 29 3HE TRP 29 3.188 -8.214 1.519 248 HZ2 TRP 29 2HZ TRP 29 4.453 -5.120 -2.147 249 HZ3 TRP 29 3HZ TRP 29 5.398 -8.391 0.455 250 HH2 TRP 29 HH TRP 29 6.040 -6.858 -1.374 251 H LEU 30 H LEU 30 -2.382 -8.393 1.057 252 HA LEU 30 HA LEU 30 -3.327 -8.703 3.722 253 HB2 LEU 30 2HB LEU 30 -4.569 -8.901 1.011 254 HB3 LEU 30 1HB LEU 30 -5.441 -9.628 2.356 255 HG LEU 30 HG LEU 30 -5.187 -7.412 3.579 256 HD11 LEU 30 1HD1 LEU 30 -4.648 -6.234 0.862 257 HD12 LEU 30 2HD1 LEU 30 -3.313 -6.695 1.911 258 HD13 LEU 30 3HD1 LEU 30 -4.466 -5.487 2.445 259 HD21 LEU 30 1HD2 LEU 30 -7.078 -6.435 2.440 260 HD22 LEU 30 2HD2 LEU 30 -7.244 -8.189 2.359 261 HD23 LEU 30 3HD2 LEU 30 -6.684 -7.288 0.948 262 H LYS 31 H LYS 31 -2.719 -11.076 1.132 263 HA LYS 31 HA LYS 31 -3.664 -13.309 2.576 264 HB2 LYS 31 2HB LYS 31 -1.602 -13.052 0.386 265 HB3 LYS 31 1HB LYS 31 -2.166 -14.599 1.014 266 HG2 LYS 31 2HG LYS 31 -4.485 -14.020 0.408 267 HG3 LYS 31 1HG LYS 31 -3.942 -12.454 -0.197 268 HD2 LYS 31 2HD LYS 31 -2.489 -13.628 -1.845 269 HD3 LYS 31 1HD LYS 31 -3.133 -15.170 -1.277 270 HE2 LYS 31 2HE LYS 31 -4.839 -12.922 -2.385 271 HE3 LYS 31 1HE LYS 31 -4.294 -14.312 -3.328 272 HZ1 LYS 31 1HZ LYS 31 -6.230 -15.171 -2.593 273 HZ2 LYS 31 2HZ LYS 31 -6.301 -14.163 -1.228 274 HZ3 LYS 31 3HZ LYS 31 -5.310 -15.542 -1.218 275 H SER 32 H SER 32 -0.429 -11.832 2.346 276 HA SER 32 HA SER 32 0.942 -13.737 3.897 277 HB2 SER 32 2HB SER 32 2.081 -12.074 2.513 278 HB3 SER 32 1HB SER 32 1.497 -10.784 3.562 279 HG SER 32 HG SER 32 3.617 -11.472 4.110 280 H GLY 33 H GLY 33 -0.760 -10.759 4.836 281 HA2 GLY 33 2HA GLY 33 -1.945 -10.702 6.961 282 HA3 GLY 33 1HA GLY 33 -0.664 -11.697 7.651 283 H ALA 34 H ALA 34 0.534 -9.359 5.524 284 HA ALA 34 HA ALA 34 1.970 -7.983 7.540 285 HB1 ALA 34 1HB ALA 34 1.525 -7.575 4.600 286 HB2 ALA 34 2HB ALA 34 3.019 -7.935 5.463 287 HB3 ALA 34 3HB ALA 34 2.323 -6.317 5.547 288 H THR 35 H THR 35 1.758 -5.807 8.254 289 HA THR 35 HA THR 35 -1.013 -4.984 8.552 290 HB THR 35 HB THR 35 -0.133 -3.334 10.128 291 HG1 THR 35 1HG THR 35 2.035 -3.078 10.363 292 HG21 THR 35 1HG2 THR 35 -0.495 -5.545 11.036 293 HG22 THR 35 2HG2 THR 35 1.031 -4.946 11.690 294 HG23 THR 35 3HG2 THR 35 1.035 -6.116 10.371 295 H TYR 36 H TYR 36 -1.658 -2.746 8.243 296 HA TYR 36 HA TYR 36 -1.175 -1.838 5.620 297 HB2 TYR 36 2HB TYR 36 -2.199 -0.050 7.800 298 HB3 TYR 36 1HB TYR 36 -2.646 -0.082 6.094 299 HD1 TYR 36 1HD TYR 36 -3.196 -2.905 5.528 300 HD2 TYR 36 2HD TYR 36 -4.053 -0.597 9.048 301 HE1 TYR 36 1HE TYR 36 -5.072 -4.439 6.086 302 HE2 TYR 36 2HE TYR 36 -5.915 -2.125 9.604 303 HH TYR 36 HH TYR 36 -6.293 -5.080 8.441 304 H GLU 37 H GLU 37 0.143 -0.811 8.723 305 HA GLU 37 HA GLU 37 1.526 1.447 7.787 306 HB2 GLU 37 2HB GLU 37 2.035 -0.393 10.110 307 HB3 GLU 37 1HB GLU 37 2.928 1.107 9.833 308 HG2 GLU 37 2HG GLU 37 0.856 2.397 9.926 309 HG3 GLU 37 1HG GLU 37 -0.083 0.911 10.099 310 H GLN 38 H GLN 38 2.671 -1.879 8.376 311 HA GLN 38 HA GLN 38 5.301 -1.457 7.518 312 HB2 GLN 38 2HB GLN 38 4.500 -3.443 8.723 313 HB3 GLN 38 1HB GLN 38 3.677 -3.993 7.270 314 HG2 GLN 38 2HG GLN 38 5.845 -4.048 6.080 315 HG3 GLN 38 1HG GLN 38 6.664 -3.532 7.552 316 HE21 GLN 38 1HE2 GLN 38 7.604 -5.244 8.591 317 HE22 GLN 38 2HE2 GLN 38 6.986 -6.821 8.655 318 H ILE 39 H ILE 39 2.401 -2.333 5.646 319 HA ILE 39 HA ILE 39 3.821 -2.792 3.237 320 HB ILE 39 HB ILE 39 0.923 -2.025 3.584 321 HG12 ILE 39 2HG1 ILE 39 1.991 -4.799 3.111 322 HG13 ILE 39 1HG1 ILE 39 1.982 -4.155 4.738 323 HG21 ILE 39 1HG2 ILE 39 2.224 -3.563 1.327 324 HG22 ILE 39 2HG2 ILE 39 1.952 -1.824 1.238 325 HG23 ILE 39 3HG2 ILE 39 0.581 -2.926 1.394 326 HD11 ILE 39 1HD1 ILE 39 -0.480 -3.634 4.430 327 HD12 ILE 39 2HD1 ILE 39 -0.109 -5.349 4.415 328 HD13 ILE 39 3HD1 ILE 39 -0.406 -4.495 2.902 329 H LYS 40 H LYS 40 2.264 0.240 4.496 330 HA LYS 40 HA LYS 40 2.897 1.611 2.059 331 HB2 LYS 40 2HB LYS 40 2.747 3.741 3.250 332 HB3 LYS 40 1HB LYS 40 1.299 2.737 3.510 333 HG2 LYS 40 2HG LYS 40 2.103 2.100 5.707 334 HG3 LYS 40 1HG LYS 40 3.640 2.912 5.437 335 HD2 LYS 40 2HD LYS 40 2.384 5.064 5.145 336 HD3 LYS 40 1HD LYS 40 0.908 4.216 5.608 337 HE2 LYS 40 2HE LYS 40 1.824 3.712 7.799 338 HE3 LYS 40 1HE LYS 40 3.394 4.351 7.338 339 HZ1 LYS 40 1HZ LYS 40 1.318 5.747 8.490 340 HZ2 LYS 40 2HZ LYS 40 1.338 6.256 6.869 341 HZ3 LYS 40 3HZ LYS 40 2.736 6.399 7.827 342 H GLU 41 H GLU 41 4.601 0.959 5.066 343 HA GLU 41 HA GLU 41 6.704 2.735 4.748 344 HB2 GLU 41 2HB GLU 41 6.328 1.409 6.755 345 HB3 GLU 41 1HB GLU 41 6.812 -0.043 5.873 346 HG2 GLU 41 2HG GLU 41 9.029 0.924 5.453 347 HG3 GLU 41 1HG GLU 41 8.560 2.407 6.275 348 H TRP 42 H TRP 42 6.418 -0.631 3.570 349 HA TRP 42 HA TRP 42 8.914 -0.685 2.231 350 HB2 TRP 42 2HB TRP 42 6.326 -2.116 1.604 351 HB3 TRP 42 1HB TRP 42 7.866 -2.472 0.836 352 HD1 TRP 42 HD TRP 42 9.639 -2.306 3.619 353 HE1 TRP 42 1HE TRP 42 9.451 -4.289 5.253 354 HE3 TRP 42 3HE TRP 42 5.198 -4.304 2.086 355 HZ2 TRP 42 2HZ TRP 42 7.645 -6.457 5.836 356 HZ3 TRP 42 3HZ TRP 42 4.255 -6.309 3.196 357 HH2 TRP 42 HH TRP 42 5.470 -7.390 5.070 358 H ILE 43 H ILE 43 5.656 0.251 1.166 359 HA ILE 43 HA ILE 43 6.324 0.646 -1.542 360 HB ILE 43 HB ILE 43 4.168 1.871 0.174 361 HG12 ILE 43 2HG1 ILE 43 4.013 -0.260 -1.973 362 HG13 ILE 43 1HG1 ILE 43 4.171 -0.627 -0.253 363 HG21 ILE 43 1HG2 ILE 43 4.494 3.379 -1.685 364 HG22 ILE 43 2HG2 ILE 43 3.080 2.388 -2.049 365 HG23 ILE 43 3HG2 ILE 43 4.627 2.033 -2.816 366 HD11 ILE 43 1HD1 ILE 43 2.079 0.451 0.246 367 HD12 ILE 43 2HD1 ILE 43 1.789 -0.618 -1.128 368 HD13 ILE 43 3HD1 ILE 43 1.966 1.117 -1.382 369 H GLU 44 H GLU 44 6.305 3.004 1.140 370 HA GLU 44 HA GLU 44 7.009 5.136 -0.553 371 HB2 GLU 44 2HB GLU 44 7.195 6.486 1.417 372 HB3 GLU 44 1HB GLU 44 5.788 5.432 1.583 373 HG2 GLU 44 2HG GLU 44 6.588 4.597 3.513 374 HG3 GLU 44 1HG GLU 44 8.072 4.073 2.715 375 H ASN 45 H ASN 45 8.938 2.832 1.350 376 HA ASN 45 HA ASN 45 11.398 4.177 1.050 377 HB2 ASN 45 2HB ASN 45 10.621 1.298 1.492 378 HB3 ASN 45 1HB ASN 45 12.307 1.753 1.252 379 HD21 ASN 45 1HD2 ASN 45 12.123 4.334 2.636 380 HD22 ASN 45 2HD2 ASN 45 11.952 3.985 4.287 381 H ALA 46 H ALA 46 9.704 1.786 -0.991 382 HA ALA 46 HA ALA 46 11.781 1.484 -2.886 383 HB1 ALA 46 1HB ALA 46 8.789 1.235 -3.294 384 HB2 ALA 46 2HB ALA 46 9.869 -0.062 -2.778 385 HB3 ALA 46 3HB ALA 46 10.031 0.634 -4.389 386 H LEU 47 H LEU 47 9.025 3.690 -2.661 387 HA LEU 47 HA LEU 47 9.321 4.949 -5.141 388 HB2 LEU 47 2HB LEU 47 7.451 5.076 -3.325 389 HB3 LEU 47 1HB LEU 47 8.398 6.419 -2.698 390 HG LEU 47 HG LEU 47 7.423 6.231 -5.570 391 HD11 LEU 47 1HD1 LEU 47 6.325 7.652 -3.137 392 HD12 LEU 47 2HD1 LEU 47 5.495 6.479 -4.161 393 HD13 LEU 47 3HD1 LEU 47 5.871 8.085 -4.783 394 HD21 LEU 47 1HD2 LEU 47 9.183 7.738 -5.693 395 HD22 LEU 47 2HD2 LEU 47 9.056 8.187 -3.994 396 HD23 LEU 47 3HD2 LEU 47 7.916 8.847 -5.169 397 H GLY 48 H GLY 48 10.754 5.757 -1.958 398 HA2 GLY 48 2HA GLY 48 12.070 8.124 -2.777 399 HA3 GLY 48 1HA GLY 48 12.539 7.117 -1.403 400 H TRP 49 H TRP 49 13.063 4.718 -2.744 401 HA TRP 49 HA TRP 49 15.346 5.411 -4.516 402 HB2 TRP 49 2HB TRP 49 15.208 3.395 -2.265 403 HB3 TRP 49 1HB TRP 49 16.499 3.420 -3.468 404 HD1 TRP 49 HD TRP 49 15.330 5.086 -0.321 405 HE1 TRP 49 1HE TRP 49 16.961 6.971 0.329 406 HE3 TRP 49 3HE TRP 49 18.179 5.317 -4.568 407 HZ2 TRP 49 2HZ TRP 49 19.170 8.385 -0.786 408 HZ3 TRP 49 3HZ TRP 49 20.040 6.949 -4.737 409 HH2 TRP 49 HH TRP 49 20.537 8.480 -2.852 410 H ARG 50 H ARG 50 15.042 4.579 -6.491 411 HA ARG 50 HA ARG 50 14.297 3.224 -8.194 412 HB2 ARG 50 2HB ARG 50 15.938 1.717 -7.118 413 HB3 ARG 50 1HB ARG 50 14.653 1.069 -6.098 414 HG2 ARG 50 2HG ARG 50 13.415 0.364 -8.129 415 HG3 ARG 50 1HG ARG 50 14.733 0.979 -9.127 416 HD2 ARG 50 2HD ARG 50 16.290 -0.572 -7.928 417 HD3 ARG 50 1HD ARG 50 14.899 -1.258 -7.092 418 HE ARG 50 HE ARG 50 14.594 -1.268 -9.959 419 HH11 ARG 50 1HH1 ARG 50 14.635 -3.316 -10.964 420 HH12 ARG 50 2HH1 ARG 50 15.244 -4.685 -10.095 421 HH21 ARG 50 1HH2 ARG 50 15.994 -2.886 -7.234 422 HH22 ARG 50 2HH2 ARG 50 16.006 -4.442 -7.994 Start of MODEL 8 1 H FME 1 H FME 1 -11.754 -5.023 0.075 2 HCN FME 1 HF FME 1 -12.849 -5.310 2.120 3 HA FME 1 HA FME 1 -9.456 -4.094 1.564 4 HB2 FME 1 1HB FME 1 -9.336 -5.378 -0.611 5 HB3 FME 1 2HB FME 1 -8.370 -3.904 -0.557 6 HG2 FME 1 1HG FME 1 -9.804 -2.755 -1.992 7 HG3 FME 1 2HG FME 1 -11.190 -3.765 -1.577 8 HE1 FME 1 1HE FME 1 -7.482 -5.014 -2.597 9 HE2 FME 1 2HE FME 1 -7.848 -3.416 -3.242 10 HE3 FME 1 3HE FME 1 -7.675 -4.784 -4.340 11 H ALA 2 H ALA 2 -12.319 -2.679 0.987 12 HA ALA 2 HA ALA 2 -11.679 -0.135 -0.072 13 HB1 ALA 2 1HB ALA 2 -13.991 -1.078 0.220 14 HB2 ALA 2 2HB ALA 2 -13.808 0.575 0.807 15 HB3 ALA 2 3HB ALA 2 -13.839 -0.771 1.948 16 H GLY 3 H GLY 3 -11.771 -1.375 3.266 17 HA2 GLY 3 2HA GLY 3 -11.197 1.092 4.539 18 HA3 GLY 3 1HA GLY 3 -10.922 -0.506 5.231 19 H LEU 4 H LEU 4 -9.173 -1.476 3.246 20 HA LEU 4 HA LEU 4 -6.669 -0.646 4.191 21 HB2 LEU 4 2HB LEU 4 -7.247 -2.851 3.198 22 HB3 LEU 4 1HB LEU 4 -7.449 -2.089 1.636 23 HG LEU 4 HG LEU 4 -5.215 -3.361 2.292 24 HD11 LEU 4 1HD1 LEU 4 -5.640 -0.914 0.636 25 HD12 LEU 4 2HD1 LEU 4 -5.275 -2.567 0.142 26 HD13 LEU 4 3HD1 LEU 4 -4.006 -1.547 0.811 27 HD21 LEU 4 1HD2 LEU 4 -4.577 -0.556 3.222 28 HD22 LEU 4 2HD2 LEU 4 -3.475 -1.920 3.144 29 HD23 LEU 4 3HD2 LEU 4 -4.809 -1.929 4.293 30 H LEU 5 H LEU 5 -8.408 0.110 1.194 31 HA LEU 5 HA LEU 5 -6.426 1.766 0.036 32 HB2 LEU 5 2HB LEU 5 -9.427 1.684 -0.309 33 HB3 LEU 5 1HB LEU 5 -8.353 2.662 -1.299 34 HG LEU 5 HG LEU 5 -8.090 -0.337 -0.981 35 HD11 LEU 5 1HD1 LEU 5 -9.453 1.344 -3.094 36 HD12 LEU 5 2HD1 LEU 5 -10.158 0.049 -2.125 37 HD13 LEU 5 3HD1 LEU 5 -8.969 -0.329 -3.371 38 HD21 LEU 5 1HD2 LEU 5 -5.992 0.379 -1.710 39 HD22 LEU 5 2HD2 LEU 5 -6.651 1.785 -2.545 40 HD23 LEU 5 3HD2 LEU 5 -6.811 0.180 -3.255 41 H ARG 6 H ARG 6 -9.203 2.472 2.125 42 HA ARG 6 HA ARG 6 -9.015 5.279 2.051 43 HB2 ARG 6 2HB ARG 6 -10.940 4.020 2.980 44 HB3 ARG 6 1HB ARG 6 -9.937 3.527 4.343 45 HG2 ARG 6 2HG ARG 6 -9.986 6.462 3.809 46 HG3 ARG 6 1HG ARG 6 -11.517 5.772 4.332 47 HD2 ARG 6 2HD ARG 6 -10.376 4.762 6.293 48 HD3 ARG 6 1HD ARG 6 -8.866 5.512 5.783 49 HE ARG 6 HE ARG 6 -10.951 7.453 6.034 50 HH11 ARG 6 1HH1 ARG 6 -10.809 8.886 7.784 51 HH12 ARG 6 2HH1 ARG 6 -9.814 8.493 9.146 52 HH21 ARG 6 1HH2 ARG 6 -8.727 5.477 7.815 53 HH22 ARG 6 2HH2 ARG 6 -8.636 6.561 9.163 54 H PHE 7 H PHE 7 -7.538 2.897 4.229 55 HA PHE 7 HA PHE 7 -6.270 4.679 5.973 56 HB2 PHE 7 2HB PHE 7 -6.553 2.215 6.316 57 HB3 PHE 7 1HB PHE 7 -5.299 1.947 5.107 58 HD1 PHE 7 1HD PHE 7 -2.985 2.305 5.596 59 HD2 PHE 7 2HD PHE 7 -6.005 3.378 8.455 60 HE1 PHE 7 1HE PHE 7 -1.236 2.621 7.325 61 HE2 PHE 7 2HE PHE 7 -4.255 3.696 10.185 62 HZ PHE 7 HZ PHE 7 -1.871 3.313 9.619 63 H LEU 8 H LEU 8 -5.115 3.167 2.953 64 HA LEU 8 HA LEU 8 -2.511 4.257 3.126 65 HB2 LEU 8 2HB LEU 8 -4.148 3.332 0.770 66 HB3 LEU 8 1HB LEU 8 -2.478 3.873 0.610 67 HG LEU 8 HG LEU 8 -3.202 1.752 2.629 68 HD11 LEU 8 1HD1 LEU 8 -2.819 1.475 -0.348 69 HD12 LEU 8 2HD1 LEU 8 -4.108 0.809 0.657 70 HD13 LEU 8 3HD1 LEU 8 -2.476 0.142 0.752 71 HD21 LEU 8 1HD2 LEU 8 -0.911 1.181 2.537 72 HD22 LEU 8 2HD2 LEU 8 -0.849 2.931 2.388 73 HD23 LEU 8 3HD2 LEU 8 -0.690 1.924 0.957 74 H LEU 9 H LEU 9 -5.479 5.475 1.677 75 HA LEU 9 HA LEU 9 -4.359 7.765 0.453 76 HB2 LEU 9 2HB LEU 9 -6.604 6.851 0.007 77 HB3 LEU 9 1HB LEU 9 -7.132 7.396 1.587 78 HG LEU 9 HG LEU 9 -6.514 9.728 0.957 79 HD11 LEU 9 1HD1 LEU 9 -6.354 9.912 -1.709 80 HD12 LEU 9 2HD1 LEU 9 -5.646 8.307 -1.531 81 HD13 LEU 9 3HD1 LEU 9 -4.918 9.688 -0.712 82 HD21 LEU 9 1HD2 LEU 9 -8.462 8.299 -0.883 83 HD22 LEU 9 2HD2 LEU 9 -8.398 10.048 -0.659 84 HD23 LEU 9 3HD2 LEU 9 -8.832 9.001 0.692 85 H SER 10 H SER 10 -5.840 7.279 3.649 86 HA SER 10 HA SER 10 -5.712 9.930 4.543 87 HB2 SER 10 2HB SER 10 -6.983 8.195 5.719 88 HB3 SER 10 1HB SER 10 -5.486 7.366 6.138 89 HG SER 10 HG SER 10 -5.028 9.708 6.980 90 H LYS 11 H LYS 11 -3.326 7.309 4.681 91 HA LYS 11 HA LYS 11 -1.446 8.829 6.224 92 HB2 LYS 11 2HB LYS 11 -1.107 6.374 4.493 93 HB3 LYS 11 1HB LYS 11 0.199 7.081 5.436 94 HG2 LYS 11 2HG LYS 11 -2.429 6.211 6.669 95 HG3 LYS 11 1HG LYS 11 -1.029 5.151 6.543 96 HD2 LYS 11 2HD LYS 11 0.272 7.054 7.728 97 HD3 LYS 11 1HD LYS 11 -1.318 7.681 8.164 98 HE2 LYS 11 2HE LYS 11 -1.901 5.629 9.291 99 HE3 LYS 11 1HE LYS 11 -0.426 4.846 8.727 100 HZ1 LYS 11 1HZ LYS 11 -0.186 5.609 10.993 101 HZ2 LYS 11 2HZ LYS 11 -0.566 7.199 10.533 102 HZ3 LYS 11 3HZ LYS 11 0.865 6.468 9.976 103 H GLY 12 H GLY 12 -1.793 8.211 2.752 104 HA2 GLY 12 2HA GLY 12 -0.598 10.704 2.053 105 HA3 GLY 12 1HA GLY 12 0.506 9.363 1.762 106 H ARG 13 H ARG 13 -0.341 10.892 -0.353 107 HA ARG 13 HA ARG 13 -2.577 9.550 -1.667 108 HB2 ARG 13 2HB ARG 13 -2.268 12.005 -1.908 109 HB3 ARG 13 1HB ARG 13 -0.729 11.714 -2.718 110 HG2 ARG 13 2HG ARG 13 -1.907 10.413 -4.469 111 HG3 ARG 13 1HG ARG 13 -3.443 10.737 -3.663 112 HD2 ARG 13 2HD ARG 13 -3.175 12.331 -5.471 113 HD3 ARG 13 1HD ARG 13 -3.022 13.188 -3.943 114 HE ARG 13 HE ARG 13 -0.464 12.345 -4.905 115 HH11 ARG 13 1HH1 ARG 13 0.896 13.935 -5.826 116 HH12 ARG 13 2HH1 ARG 13 0.230 15.463 -6.299 117 HH21 ARG 13 1HH2 ARG 13 -3.003 14.660 -5.350 118 HH22 ARG 13 2HH2 ARG 13 -1.968 15.873 -6.028 119 H ALA 14 H ALA 14 0.914 9.634 -1.740 120 HA ALA 14 HA ALA 14 1.321 8.350 -4.222 121 HB1 ALA 14 1HB ALA 14 3.547 8.265 -3.627 122 HB2 ALA 14 2HB ALA 14 3.198 7.882 -1.941 123 HB3 ALA 14 3HB ALA 14 2.986 9.530 -2.534 124 H LEU 15 H LEU 15 0.915 7.094 -0.938 125 HA LEU 15 HA LEU 15 1.435 4.383 -1.475 126 HB2 LEU 15 2HB LEU 15 -0.558 5.476 0.519 127 HB3 LEU 15 1HB LEU 15 0.319 3.952 0.614 128 HG LEU 15 HG LEU 15 1.676 6.664 0.578 129 HD11 LEU 15 1HD1 LEU 15 2.085 6.049 3.048 130 HD12 LEU 15 2HD1 LEU 15 0.732 4.933 2.855 131 HD13 LEU 15 3HD1 LEU 15 0.487 6.663 2.614 132 HD21 LEU 15 1HD2 LEU 15 3.505 5.163 1.621 133 HD22 LEU 15 2HD2 LEU 15 3.228 5.023 -0.113 134 HD23 LEU 15 3HD2 LEU 15 2.569 3.812 0.987 135 H TYR 16 H TYR 16 -1.548 6.280 -1.583 136 HA TYR 16 HA TYR 16 -3.338 4.186 -2.184 137 HB2 TYR 16 2HB TYR 16 -4.126 6.356 -1.434 138 HB3 TYR 16 1HB TYR 16 -3.452 7.130 -2.867 139 HD1 TYR 16 1HD TYR 16 -4.646 7.199 -4.902 140 HD2 TYR 16 2HD TYR 16 -5.960 4.600 -1.744 141 HE1 TYR 16 1HE TYR 16 -6.734 6.736 -6.152 142 HE2 TYR 16 2HE TYR 16 -8.048 4.140 -3.001 143 HH TYR 16 HH TYR 16 -8.483 4.524 -6.048 144 H ASN 17 H ASN 17 -1.535 6.418 -4.285 145 HA ASN 17 HA ASN 17 -2.573 5.517 -6.741 146 HB2 ASN 17 2HB ASN 17 -1.296 7.600 -6.557 147 HB3 ASN 17 1HB ASN 17 0.156 6.689 -6.144 148 HD21 ASN 17 1HD2 ASN 17 1.396 7.159 -8.041 149 HD22 ASN 17 2HD2 ASN 17 0.911 6.689 -9.599 150 H TRP 18 H TRP 18 0.257 4.454 -4.876 151 HA TRP 18 HA TRP 18 1.253 2.604 -6.730 152 HB2 TRP 18 2HB TRP 18 2.635 3.229 -4.888 153 HB3 TRP 18 1HB TRP 18 1.407 2.742 -3.719 154 HD1 TRP 18 HD TRP 18 0.990 0.119 -3.382 155 HE1 TRP 18 1HE TRP 18 2.517 -1.915 -3.807 156 HE3 TRP 18 3HE TRP 18 4.516 2.274 -6.380 157 HZ2 TRP 18 2HZ TRP 18 4.922 -2.543 -5.229 158 HZ3 TRP 18 3HZ TRP 18 6.413 0.939 -7.252 159 HH2 TRP 18 HH TRP 18 6.622 -1.464 -6.681 160 H ALA 19 H ALA 19 -1.088 2.201 -4.068 161 HA ALA 19 HA ALA 19 -1.422 -0.577 -4.336 162 HB1 ALA 19 1HB ALA 19 -3.333 1.553 -3.343 163 HB2 ALA 19 2HB ALA 19 -2.278 0.527 -2.371 164 HB3 ALA 19 3HB ALA 19 -3.649 -0.177 -3.227 165 H LYS 20 H LYS 20 -3.108 2.138 -5.850 166 HA LYS 20 HA LYS 20 -5.050 0.633 -7.240 167 HB2 LYS 20 2HB LYS 20 -5.125 3.098 -6.898 168 HB3 LYS 20 1HB LYS 20 -3.814 3.267 -8.068 169 HG2 LYS 20 2HG LYS 20 -5.165 2.244 -9.807 170 HG3 LYS 20 1HG LYS 20 -6.460 1.916 -8.656 171 HD2 LYS 20 2HD LYS 20 -6.720 4.353 -8.276 172 HD3 LYS 20 1HD LYS 20 -5.460 4.660 -9.475 173 HE2 LYS 20 2HE LYS 20 -8.013 3.128 -10.043 174 HE3 LYS 20 1HE LYS 20 -7.776 4.836 -10.419 175 HZ1 LYS 20 1HZ LYS 20 -6.340 2.504 -11.534 176 HZ2 LYS 20 2HZ LYS 20 -5.737 4.085 -11.672 177 HZ3 LYS 20 3HZ LYS 20 -7.235 3.680 -12.365 178 H SER 21 H SER 21 -1.849 1.797 -8.205 179 HA SER 21 HA SER 21 -1.889 0.921 -10.876 180 HB2 SER 21 2HB SER 21 0.437 1.318 -8.985 181 HB3 SER 21 1HB SER 21 0.583 1.117 -10.728 182 HG SER 21 HG SER 21 -1.253 2.976 -10.248 183 H HIS 22 H HIS 22 -0.800 -0.763 -7.899 184 HA HIS 22 HA HIS 22 -0.633 -3.259 -9.497 185 HB2 HIS 22 2HB HIS 22 1.054 -2.587 -7.082 186 HB3 HIS 22 1HB HIS 22 1.212 -3.978 -8.153 187 HD1 HIS 22 1HD HIS 22 2.022 -0.351 -7.880 188 HD2 HIS 22 2HD HIS 22 2.315 -3.375 -10.733 189 HE1 HIS 22 1HE HIS 22 3.516 0.543 -9.722 190 HE2 HIS 22 2HE HIS 22 3.705 -1.291 -11.467 191 H VAL 23 H VAL 23 -2.791 -3.723 -8.946 192 HA VAL 23 HA VAL 23 -3.733 -3.841 -6.284 193 HB VAL 23 HB VAL 23 -4.781 -5.608 -8.476 194 HG11 VAL 23 1HG1 VAL 23 -6.926 -4.977 -7.437 195 HG12 VAL 23 2HG1 VAL 23 -6.067 -3.907 -6.327 196 HG13 VAL 23 3HG1 VAL 23 -5.822 -5.651 -6.236 197 HG21 VAL 23 1HG2 VAL 23 -6.130 -3.497 -9.124 198 HG22 VAL 23 2HG2 VAL 23 -4.462 -3.592 -9.686 199 HG23 VAL 23 3HG2 VAL 23 -4.865 -2.594 -8.290 200 H GLY 24 H GLY 24 -1.783 -5.935 -8.236 201 HA2 GLY 24 2HA GLY 24 -2.189 -8.399 -6.922 202 HA3 GLY 24 1HA GLY 24 -0.729 -7.938 -7.797 203 H LYS 25 H LYS 25 -0.029 -5.652 -6.259 204 HA LYS 25 HA LYS 25 1.446 -6.829 -4.151 205 HB2 LYS 25 2HB LYS 25 0.732 -3.915 -4.593 206 HB3 LYS 25 1HB LYS 25 1.981 -4.501 -3.497 207 HG2 LYS 25 2HG LYS 25 2.023 -5.229 -6.424 208 HG3 LYS 25 1HG LYS 25 2.705 -3.706 -5.867 209 HD2 LYS 25 2HD LYS 25 4.194 -4.965 -4.321 210 HD3 LYS 25 1HD LYS 25 3.538 -6.477 -4.938 211 HE2 LYS 25 2HE LYS 25 4.320 -5.908 -7.202 212 HE3 LYS 25 1HE LYS 25 4.982 -4.391 -6.596 213 HZ1 LYS 25 1HZ LYS 25 6.809 -5.466 -6.013 214 HZ2 LYS 25 2HZ LYS 25 6.164 -6.930 -6.582 215 HZ3 LYS 25 3HZ LYS 25 5.917 -6.460 -4.969 216 H VAL 26 H VAL 26 -1.598 -5.048 -4.230 217 HA VAL 26 HA VAL 26 -2.017 -4.804 -1.460 218 HB VAL 26 HB VAL 26 -3.950 -4.948 -3.767 219 HG11 VAL 26 1HG1 VAL 26 -5.490 -3.825 -2.002 220 HG12 VAL 26 2HG1 VAL 26 -4.396 -4.529 -0.811 221 HG13 VAL 26 3HG1 VAL 26 -5.285 -5.575 -1.918 222 HG21 VAL 26 1HG2 VAL 26 -4.057 -2.513 -3.399 223 HG22 VAL 26 2HG2 VAL 26 -2.392 -3.019 -3.690 224 HG23 VAL 26 3HG2 VAL 26 -2.933 -2.662 -2.049 225 H TRP 27 H TRP 27 -3.020 -7.261 -3.781 226 HA TRP 27 HA TRP 27 -4.451 -8.893 -1.953 227 HB2 TRP 27 2HB TRP 27 -3.079 -9.500 -4.570 228 HB3 TRP 27 1HB TRP 27 -3.953 -10.727 -3.656 229 HD1 TRP 27 HD TRP 27 -4.486 -8.244 -6.259 230 HE1 TRP 27 1HE TRP 27 -6.993 -7.724 -6.559 231 HE3 TRP 27 3HE TRP 27 -6.348 -10.334 -1.978 232 HZ2 TRP 27 2HZ TRP 27 -9.460 -8.137 -5.172 233 HZ3 TRP 27 3HZ TRP 27 -8.779 -10.250 -1.496 234 HH2 TRP 27 HH TRP 27 -10.335 -9.154 -3.085 235 H GLU 28 H GLU 28 -1.073 -8.929 -3.011 236 HA GLU 28 HA GLU 28 -0.241 -11.234 -1.683 237 HB2 GLU 28 2HB GLU 28 1.118 -10.037 -3.372 238 HB3 GLU 28 1HB GLU 28 1.383 -8.732 -2.216 239 HG2 GLU 28 2HG GLU 28 2.469 -10.307 -0.665 240 HG3 GLU 28 1HG GLU 28 2.180 -11.630 -1.791 241 H TRP 29 H TRP 29 -0.274 -7.820 -0.483 242 HA TRP 29 HA TRP 29 0.887 -8.575 2.011 243 HB2 TRP 29 2HB TRP 29 -0.941 -6.211 1.796 244 HB3 TRP 29 1HB TRP 29 0.465 -6.436 2.809 245 HD1 TRP 29 HD TRP 29 -0.465 -4.401 0.129 246 HE1 TRP 29 1HE TRP 29 1.485 -3.754 -1.419 247 HE3 TRP 29 3HE TRP 29 3.001 -7.865 1.579 248 HZ2 TRP 29 2HZ TRP 29 4.166 -4.576 -1.954 249 HZ3 TRP 29 3HZ TRP 29 5.239 -7.887 0.548 250 HH2 TRP 29 HH TRP 29 5.832 -6.256 -1.216 251 H LEU 30 H LEU 30 -2.464 -8.334 0.899 252 HA LEU 30 HA LEU 30 -3.679 -8.649 3.434 253 HB2 LEU 30 2HB LEU 30 -4.544 -9.047 0.605 254 HB3 LEU 30 1HB LEU 30 -5.539 -9.770 1.865 255 HG LEU 30 HG LEU 30 -6.105 -7.366 1.069 256 HD11 LEU 30 1HD1 LEU 30 -5.737 -7.867 4.034 257 HD12 LEU 30 2HD1 LEU 30 -7.056 -8.515 3.063 258 HD13 LEU 30 3HD1 LEU 30 -6.896 -6.774 3.286 259 HD21 LEU 30 1HD2 LEU 30 -4.151 -6.442 3.155 260 HD22 LEU 30 2HD2 LEU 30 -4.859 -5.565 1.805 261 HD23 LEU 30 3HD2 LEU 30 -3.566 -6.708 1.516 262 H LYS 31 H LYS 31 -2.635 -11.034 1.029 263 HA LYS 31 HA LYS 31 -3.581 -13.317 2.393 264 HB2 LYS 31 2HB LYS 31 -2.814 -13.309 0.018 265 HB3 LYS 31 1HB LYS 31 -1.157 -13.119 0.593 266 HG2 LYS 31 2HG LYS 31 -1.314 -15.224 1.835 267 HG3 LYS 31 1HG LYS 31 -2.995 -15.414 1.335 268 HD2 LYS 31 2HD LYS 31 -2.298 -15.511 -1.022 269 HD3 LYS 31 1HD LYS 31 -0.614 -15.297 -0.540 270 HE2 LYS 31 2HE LYS 31 -1.065 -17.674 -0.909 271 HE3 LYS 31 1HE LYS 31 -0.762 -17.387 0.804 272 HZ1 LYS 31 1HZ LYS 31 -2.763 -18.803 0.179 273 HZ2 LYS 31 2HZ LYS 31 -3.500 -17.348 -0.300 274 HZ3 LYS 31 3HZ LYS 31 -3.008 -17.566 1.312 275 H SER 32 H SER 32 -0.492 -11.602 2.460 276 HA SER 32 HA SER 32 0.880 -13.343 4.211 277 HB2 SER 32 2HB SER 32 2.009 -11.622 2.855 278 HB3 SER 32 1HB SER 32 1.230 -10.360 3.806 279 HG SER 32 HG SER 32 2.684 -12.387 5.100 280 H GLY 33 H GLY 33 -1.077 -10.443 4.792 281 HA2 GLY 33 2HA GLY 33 -2.465 -10.125 6.694 282 HA3 GLY 33 1HA GLY 33 -1.470 -11.272 7.587 283 H ALA 34 H ALA 34 0.528 -9.249 5.832 284 HA ALA 34 HA ALA 34 1.829 -8.084 7.964 285 HB1 ALA 34 1HB ALA 34 1.450 -6.950 5.183 286 HB2 ALA 34 2HB ALA 34 2.757 -8.006 5.719 287 HB3 ALA 34 3HB ALA 34 2.632 -6.364 6.352 288 H THR 35 H THR 35 1.960 -5.569 8.229 289 HA THR 35 HA THR 35 -0.740 -4.690 8.994 290 HB THR 35 HB THR 35 0.383 -3.110 10.452 291 HG1 THR 35 1HG THR 35 2.890 -3.754 10.279 292 HG21 THR 35 1HG2 THR 35 1.351 -4.639 11.978 293 HG22 THR 35 2HG2 THR 35 1.931 -5.685 10.681 294 HG23 THR 35 3HG2 THR 35 0.208 -5.606 11.045 295 H TYR 36 H TYR 36 -1.409 -2.513 8.583 296 HA TYR 36 HA TYR 36 -1.059 -1.689 5.923 297 HB2 TYR 36 2HB TYR 36 -1.942 0.093 8.192 298 HB3 TYR 36 1HB TYR 36 -2.385 0.214 6.493 299 HD1 TYR 36 1HD TYR 36 -3.149 -2.509 5.722 300 HD2 TYR 36 2HD TYR 36 -3.859 -0.442 9.429 301 HE1 TYR 36 1HE TYR 36 -5.132 -3.927 6.134 302 HE2 TYR 36 2HE TYR 36 -5.837 -1.879 9.839 303 HH TYR 36 HH TYR 36 -6.841 -4.356 7.481 304 H GLU 37 H GLU 37 0.404 -0.522 8.913 305 HA GLU 37 HA GLU 37 1.797 1.658 7.839 306 HB2 GLU 37 2HB GLU 37 1.455 1.247 10.253 307 HB3 GLU 37 1HB GLU 37 2.598 -0.093 10.169 308 HG2 GLU 37 2HG GLU 37 4.366 1.456 9.415 309 HG3 GLU 37 1HG GLU 37 3.222 2.795 9.484 310 H GLN 38 H GLN 38 2.932 -1.670 8.466 311 HA GLN 38 HA GLN 38 5.512 -1.300 7.451 312 HB2 GLN 38 2HB GLN 38 4.806 -3.251 8.764 313 HB3 GLN 38 1HB GLN 38 3.843 -3.824 7.404 314 HG2 GLN 38 2HG GLN 38 5.903 -3.895 6.009 315 HG3 GLN 38 1HG GLN 38 6.845 -3.390 7.407 316 HE21 GLN 38 1HE2 GLN 38 7.814 -5.097 8.469 317 HE22 GLN 38 2HE2 GLN 38 7.226 -6.690 8.511 318 H ILE 39 H ILE 39 2.503 -2.217 5.796 319 HA ILE 39 HA ILE 39 3.679 -2.817 3.312 320 HB ILE 39 HB ILE 39 0.879 -1.899 3.998 321 HG12 ILE 39 2HG1 ILE 39 1.831 -4.650 3.189 322 HG13 ILE 39 1HG1 ILE 39 1.918 -4.133 4.872 323 HG21 ILE 39 1HG2 ILE 39 1.308 -1.441 1.639 324 HG22 ILE 39 2HG2 ILE 39 0.330 -2.903 1.756 325 HG23 ILE 39 3HG2 ILE 39 2.061 -3.026 1.433 326 HD11 ILE 39 1HD1 ILE 39 -0.554 -4.393 3.142 327 HD12 ILE 39 2HD1 ILE 39 -0.558 -3.532 4.678 328 HD13 ILE 39 3HD1 ILE 39 -0.190 -5.251 4.637 329 H LYS 40 H LYS 40 2.302 0.310 4.550 330 HA LYS 40 HA LYS 40 2.859 1.606 2.055 331 HB2 LYS 40 2HB LYS 40 2.822 3.773 3.290 332 HB3 LYS 40 1HB LYS 40 1.334 2.804 3.436 333 HG2 LYS 40 2HG LYS 40 1.906 2.080 5.620 334 HG3 LYS 40 1HG LYS 40 3.561 2.664 5.474 335 HD2 LYS 40 2HD LYS 40 1.400 4.705 5.099 336 HD3 LYS 40 1HD LYS 40 1.600 4.071 6.732 337 HE2 LYS 40 2HE LYS 40 3.777 5.323 5.035 338 HE3 LYS 40 1HE LYS 40 2.992 6.064 6.427 339 HZ1 LYS 40 1HZ LYS 40 3.782 4.016 7.685 340 HZ2 LYS 40 2HZ LYS 40 4.954 5.171 7.263 341 HZ3 LYS 40 3HZ LYS 40 4.809 3.736 6.365 342 H GLU 41 H GLU 41 4.716 1.033 4.987 343 HA GLU 41 HA GLU 41 6.819 2.777 4.543 344 HB2 GLU 41 2HB GLU 41 6.543 1.445 6.600 345 HB3 GLU 41 1HB GLU 41 6.982 -0.004 5.696 346 HG2 GLU 41 2HG GLU 41 9.172 0.979 5.156 347 HG3 GLU 41 1HG GLU 41 8.735 2.443 6.035 348 H TRP 42 H TRP 42 6.414 -0.606 3.431 349 HA TRP 42 HA TRP 42 8.861 -0.721 2.007 350 HB2 TRP 42 2HB TRP 42 6.251 -2.152 1.415 351 HB3 TRP 42 1HB TRP 42 7.790 -2.520 0.657 352 HD1 TRP 42 HD TRP 42 9.613 -2.404 3.313 353 HE1 TRP 42 1HE TRP 42 9.428 -4.331 5.004 354 HE3 TRP 42 3HE TRP 42 5.027 -4.263 2.036 355 HZ2 TRP 42 2HZ TRP 42 7.580 -6.413 5.720 356 HZ3 TRP 42 3HZ TRP 42 4.075 -6.222 3.221 357 HH2 TRP 42 HH TRP 42 5.351 -7.300 5.064 358 H ILE 43 H ILE 43 5.603 0.246 1.070 359 HA ILE 43 HA ILE 43 6.122 0.625 -1.678 360 HB ILE 43 HB ILE 43 4.096 1.890 0.158 361 HG12 ILE 43 2HG1 ILE 43 3.833 -0.251 -1.971 362 HG13 ILE 43 1HG1 ILE 43 4.004 -0.581 -0.247 363 HG21 ILE 43 1HG2 ILE 43 2.902 2.437 -2.016 364 HG22 ILE 43 2HG2 ILE 43 4.428 2.115 -2.840 365 HG23 ILE 43 3HG2 ILE 43 4.318 3.425 -1.663 366 HD11 ILE 43 1HD1 ILE 43 1.924 0.510 0.257 367 HD12 ILE 43 2HD1 ILE 43 1.615 -0.567 -1.104 368 HD13 ILE 43 3HD1 ILE 43 1.802 1.165 -1.375 369 H GLU 44 H GLU 44 6.249 2.996 0.971 370 HA GLU 44 HA GLU 44 6.891 5.086 -0.789 371 HB2 GLU 44 2HB GLU 44 7.156 6.482 1.136 372 HB3 GLU 44 1HB GLU 44 5.755 5.427 1.385 373 HG2 GLU 44 2HG GLU 44 6.648 4.668 3.309 374 HG3 GLU 44 1HG GLU 44 8.054 4.071 2.448 375 H ASN 45 H ASN 45 8.911 2.818 1.064 376 HA ASN 45 HA ASN 45 11.369 4.155 0.648 377 HB2 ASN 45 2HB ASN 45 11.151 2.343 2.269 378 HB3 ASN 45 1HB ASN 45 10.744 1.211 0.982 379 HD21 ASN 45 1HD2 ASN 45 13.129 1.314 2.899 380 HD22 ASN 45 2HD2 ASN 45 14.486 1.248 1.882 381 H ALA 46 H ALA 46 9.575 1.738 -1.280 382 HA ALA 46 HA ALA 46 11.560 1.415 -3.275 383 HB1 ALA 46 1HB ALA 46 8.558 1.095 -3.493 384 HB2 ALA 46 2HB ALA 46 9.682 -0.152 -2.951 385 HB3 ALA 46 3HB ALA 46 9.754 0.439 -4.611 386 H LEU 47 H LEU 47 8.788 3.585 -2.966 387 HA LEU 47 HA LEU 47 8.889 4.780 -5.487 388 HB2 LEU 47 2HB LEU 47 7.169 4.950 -3.526 389 HB3 LEU 47 1HB LEU 47 8.166 6.304 -2.997 390 HG LEU 47 HG LEU 47 6.975 6.033 -5.771 391 HD11 LEU 47 1HD1 LEU 47 6.047 7.507 -3.302 392 HD12 LEU 47 2HD1 LEU 47 5.130 6.390 -4.315 393 HD13 LEU 47 3HD1 LEU 47 5.549 7.992 -4.923 394 HD21 LEU 47 1HD2 LEU 47 8.739 8.033 -4.399 395 HD22 LEU 47 2HD2 LEU 47 7.541 8.637 -5.544 396 HD23 LEU 47 3HD2 LEU 47 8.753 7.482 -6.074 397 H GLY 48 H GLY 48 10.513 5.695 -2.426 398 HA2 GLY 48 2HA GLY 48 11.760 8.035 -3.364 399 HA3 GLY 48 1HA GLY 48 12.328 7.043 -2.023 400 H TRP 49 H TRP 49 12.801 4.649 -3.349 401 HA TRP 49 HA TRP 49 14.582 5.169 -5.588 402 HB2 TRP 49 2HB TRP 49 16.505 4.037 -4.398 403 HB3 TRP 49 1HB TRP 49 16.125 5.664 -3.837 404 HD1 TRP 49 HD TRP 49 16.116 2.041 -2.775 405 HE1 TRP 49 1HE TRP 49 15.533 1.880 -0.270 406 HE3 TRP 49 3HE TRP 49 14.750 6.880 -1.876 407 HZ2 TRP 49 2HZ TRP 49 14.612 3.579 1.838 408 HZ3 TRP 49 3HZ TRP 49 14.029 7.581 0.389 409 HH2 TRP 49 HH TRP 49 13.958 5.938 2.245 410 H ARG 50 H ARG 50 15.460 3.175 -6.515 411 HA ARG 50 HA ARG 50 14.712 0.590 -5.659 412 HB2 ARG 50 2HB ARG 50 12.429 1.386 -6.209 413 HB3 ARG 50 1HB ARG 50 12.963 1.740 -7.852 414 HG2 ARG 50 2HG ARG 50 13.542 -0.644 -8.175 415 HG3 ARG 50 1HG ARG 50 12.985 -0.995 -6.537 416 HD2 ARG 50 2HD ARG 50 10.737 -0.061 -7.184 417 HD3 ARG 50 1HD ARG 50 11.321 0.055 -8.840 418 HE ARG 50 HE ARG 50 11.735 -2.579 -7.913 419 HH11 ARG 50 1HH1 ARG 50 10.262 -4.199 -8.532 420 HH12 ARG 50 2HH1 ARG 50 8.688 -3.756 -9.106 421 HH21 ARG 50 1HH2 ARG 50 9.234 -0.349 -8.762 422 HH22 ARG 50 2HH2 ARG 50 8.107 -1.575 -9.236 Start of MODEL 9 1 H FME 1 H FME 1 -12.142 -4.911 1.351 2 HCN FME 1 HF FME 1 -12.202 -4.289 3.603 3 HA FME 1 HA FME 1 -9.601 -3.854 0.933 4 HB2 FME 1 1HB FME 1 -11.837 -3.735 -1.095 5 HB3 FME 1 2HB FME 1 -10.987 -5.226 -0.684 6 HG2 FME 1 1HG FME 1 -8.834 -4.131 -1.292 7 HG3 FME 1 2HG FME 1 -9.727 -2.688 -1.772 8 HE1 FME 1 1HE FME 1 -8.331 -4.602 -4.959 9 HE2 FME 1 2HE FME 1 -7.811 -5.278 -3.418 10 HE3 FME 1 3HE FME 1 -7.896 -3.531 -3.620 11 H ALA 2 H ALA 2 -12.746 -2.261 0.937 12 HA ALA 2 HA ALA 2 -11.926 0.243 -0.065 13 HB1 ALA 2 1HB ALA 2 -14.000 1.060 0.719 14 HB2 ALA 2 2HB ALA 2 -14.061 -0.115 2.032 15 HB3 ALA 2 3HB ALA 2 -14.308 -0.643 0.368 16 H GLY 3 H GLY 3 -11.985 -1.084 3.223 17 HA2 GLY 3 2HA GLY 3 -11.284 1.270 4.603 18 HA3 GLY 3 1HA GLY 3 -11.013 -0.370 5.181 19 H LEU 4 H LEU 4 -9.295 -1.291 3.165 20 HA LEU 4 HA LEU 4 -6.780 -0.415 4.094 21 HB2 LEU 4 2HB LEU 4 -7.194 -2.631 3.052 22 HB3 LEU 4 1HB LEU 4 -7.465 -1.836 1.505 23 HG LEU 4 HG LEU 4 -5.036 -0.815 1.992 24 HD11 LEU 4 1HD1 LEU 4 -4.858 -3.486 3.387 25 HD12 LEU 4 2HD1 LEU 4 -4.976 -1.954 4.257 26 HD13 LEU 4 3HD1 LEU 4 -3.595 -2.269 3.205 27 HD21 LEU 4 1HD2 LEU 4 -5.470 -2.118 0.034 28 HD22 LEU 4 2HD2 LEU 4 -5.668 -3.593 0.984 29 HD23 LEU 4 3HD2 LEU 4 -4.075 -2.849 0.829 30 H LEU 5 H LEU 5 -8.590 0.325 1.136 31 HA LEU 5 HA LEU 5 -6.638 1.950 -0.079 32 HB2 LEU 5 2HB LEU 5 -9.651 1.898 -0.332 33 HB3 LEU 5 1HB LEU 5 -8.599 2.855 -1.376 34 HG LEU 5 HG LEU 5 -8.382 -0.147 -1.004 35 HD11 LEU 5 1HD1 LEU 5 -10.472 0.463 -2.146 36 HD12 LEU 5 2HD1 LEU 5 -9.345 -0.290 -3.273 37 HD13 LEU 5 3HD1 LEU 5 -9.569 1.459 -3.286 38 HD21 LEU 5 1HD2 LEU 5 -6.836 1.916 -2.529 39 HD22 LEU 5 2HD2 LEU 5 -7.089 0.354 -3.305 40 HD23 LEU 5 3HD2 LEU 5 -6.273 0.437 -1.746 41 H ARG 6 H ARG 6 -9.340 2.720 2.084 42 HA ARG 6 HA ARG 6 -9.051 5.516 2.065 43 HB2 ARG 6 2HB ARG 6 -10.974 4.258 3.070 44 HB3 ARG 6 1HB ARG 6 -9.917 3.797 4.405 45 HG2 ARG 6 2HG ARG 6 -9.495 6.472 4.442 46 HG3 ARG 6 1HG ARG 6 -11.113 6.456 3.751 47 HD2 ARG 6 2HD ARG 6 -11.856 5.015 5.656 48 HD3 ARG 6 1HD ARG 6 -10.244 5.193 6.359 49 HE ARG 6 HE ARG 6 -11.497 7.726 5.756 50 HH11 ARG 6 1HH1 ARG 6 -12.099 8.988 7.567 51 HH12 ARG 6 2HH1 ARG 6 -12.171 8.250 9.133 52 HH21 ARG 6 1HH2 ARG 6 -11.193 5.126 8.010 53 HH22 ARG 6 2HH2 ARG 6 -11.660 6.073 9.384 54 H PHE 7 H PHE 7 -7.608 3.033 4.171 55 HA PHE 7 HA PHE 7 -6.251 4.752 5.906 56 HB2 PHE 7 2HB PHE 7 -6.529 2.292 6.244 57 HB3 PHE 7 1HB PHE 7 -5.343 2.013 4.972 58 HD1 PHE 7 1HD PHE 7 -3.037 2.003 5.468 59 HD2 PHE 7 2HD PHE 7 -5.805 3.745 8.250 60 HE1 PHE 7 1HE PHE 7 -1.215 2.231 7.136 61 HE2 PHE 7 2HE PHE 7 -3.985 3.977 9.917 62 HZ PHE 7 HZ PHE 7 -1.689 3.218 9.362 63 H LEU 8 H LEU 8 -5.192 3.257 2.859 64 HA LEU 8 HA LEU 8 -2.552 4.246 2.903 65 HB2 LEU 8 2HB LEU 8 -4.370 3.397 0.654 66 HB3 LEU 8 1HB LEU 8 -2.682 3.840 0.407 67 HG LEU 8 HG LEU 8 -3.303 1.825 2.549 68 HD11 LEU 8 1HD1 LEU 8 -4.628 1.044 0.622 69 HD12 LEU 8 2HD1 LEU 8 -3.217 0.009 0.842 70 HD13 LEU 8 3HD1 LEU 8 -3.226 1.229 -0.433 71 HD21 LEU 8 1HD2 LEU 8 -1.090 1.917 0.480 72 HD22 LEU 8 2HD2 LEU 8 -1.114 1.008 1.992 73 HD23 LEU 8 3HD2 LEU 8 -0.994 2.770 2.018 74 H LEU 9 H LEU 9 -5.546 5.564 1.508 75 HA LEU 9 HA LEU 9 -4.422 7.785 0.211 76 HB2 LEU 9 2HB LEU 9 -6.862 6.773 0.164 77 HB3 LEU 9 1HB LEU 9 -7.150 7.899 1.481 78 HG LEU 9 HG LEU 9 -7.811 9.083 -0.446 79 HD11 LEU 9 1HD1 LEU 9 -4.932 9.960 -0.180 80 HD12 LEU 9 2HD1 LEU 9 -6.169 10.331 1.023 81 HD13 LEU 9 3HD1 LEU 9 -6.330 10.933 -0.619 82 HD21 LEU 9 1HD2 LEU 9 -5.239 8.309 -1.846 83 HD22 LEU 9 2HD2 LEU 9 -6.645 9.109 -2.545 84 HD23 LEU 9 3HD2 LEU 9 -6.757 7.428 -2.029 85 H SER 10 H SER 10 -5.707 7.394 3.515 86 HA SER 10 HA SER 10 -5.440 10.077 4.320 87 HB2 SER 10 2HB SER 10 -6.742 8.406 5.585 88 HB3 SER 10 1HB SER 10 -5.251 7.574 6.011 89 HG SER 10 HG SER 10 -5.173 8.929 7.612 90 H LYS 11 H LYS 11 -3.172 7.344 4.467 91 HA LYS 11 HA LYS 11 -1.189 8.819 5.906 92 HB2 LYS 11 2HB LYS 11 -0.954 6.298 4.263 93 HB3 LYS 11 1HB LYS 11 0.325 6.953 5.280 94 HG2 LYS 11 2HG LYS 11 -2.428 6.158 6.279 95 HG3 LYS 11 1HG LYS 11 -0.987 5.154 6.413 96 HD2 LYS 11 2HD LYS 11 0.052 7.250 7.605 97 HD3 LYS 11 1HD LYS 11 -1.627 7.735 7.830 98 HE2 LYS 11 2HE LYS 11 -2.138 5.662 8.982 99 HE3 LYS 11 1HE LYS 11 -0.509 5.054 8.678 100 HZ1 LYS 11 1HZ LYS 11 -0.158 5.926 10.715 101 HZ2 LYS 11 2HZ LYS 11 -1.424 7.053 10.589 102 HZ3 LYS 11 3HZ LYS 11 0.067 7.359 9.835 103 H GLY 12 H GLY 12 -1.649 8.132 2.452 104 HA2 GLY 12 2HA GLY 12 -0.274 10.511 1.720 105 HA3 GLY 12 1HA GLY 12 0.765 9.110 1.482 106 H ARG 13 H ARG 13 -0.267 10.888 -0.540 107 HA ARG 13 HA ARG 13 -2.404 9.569 -1.941 108 HB2 ARG 13 2HB ARG 13 -0.428 11.700 -2.794 109 HB3 ARG 13 1HB ARG 13 -1.730 11.095 -3.818 110 HG2 ARG 13 2HG ARG 13 -3.400 11.818 -2.194 111 HG3 ARG 13 1HG ARG 13 -2.132 12.342 -1.085 112 HD2 ARG 13 2HD ARG 13 -2.998 14.271 -2.319 113 HD3 ARG 13 1HD ARG 13 -1.333 13.954 -2.796 114 HE ARG 13 HE ARG 13 -2.100 13.289 -4.912 115 HH11 ARG 13 1HH1 ARG 13 -3.715 13.280 -6.512 116 HH12 ARG 13 2HH1 ARG 13 -5.375 13.486 -6.058 117 HH21 ARG 13 1HH2 ARG 13 -4.698 13.798 -2.678 118 HH22 ARG 13 2HH2 ARG 13 -5.928 13.785 -3.897 119 H ALA 14 H ALA 14 1.072 9.581 -1.931 120 HA ALA 14 HA ALA 14 1.581 8.250 -4.327 121 HB1 ALA 14 1HB ALA 14 3.042 8.552 -1.731 122 HB2 ALA 14 2HB ALA 14 3.442 9.214 -3.315 123 HB3 ALA 14 3HB ALA 14 3.694 7.499 -2.988 124 H LEU 15 H LEU 15 1.054 6.934 -1.043 125 HA LEU 15 HA LEU 15 1.481 4.224 -1.660 126 HB2 LEU 15 2HB LEU 15 -0.512 5.335 0.340 127 HB3 LEU 15 1HB LEU 15 0.288 3.767 0.400 128 HG LEU 15 HG LEU 15 1.769 6.403 0.472 129 HD11 LEU 15 1HD1 LEU 15 0.708 4.646 2.689 130 HD12 LEU 15 2HD1 LEU 15 0.452 6.374 2.451 131 HD13 LEU 15 3HD1 LEU 15 2.038 5.777 2.939 132 HD21 LEU 15 1HD2 LEU 15 3.482 4.791 1.528 133 HD22 LEU 15 2HD2 LEU 15 3.248 4.704 -0.208 134 HD23 LEU 15 3HD2 LEU 15 2.507 3.500 0.844 135 H TYR 16 H TYR 16 -1.425 6.229 -1.727 136 HA TYR 16 HA TYR 16 -3.279 4.211 -2.338 137 HB2 TYR 16 2HB TYR 16 -3.931 6.401 -1.547 138 HB3 TYR 16 1HB TYR 16 -3.256 7.154 -2.988 139 HD1 TYR 16 1HD TYR 16 -4.656 7.574 -4.808 140 HD2 TYR 16 2HD TYR 16 -5.725 4.502 -1.998 141 HE1 TYR 16 1HE TYR 16 -6.817 7.244 -5.981 142 HE2 TYR 16 2HE TYR 16 -7.883 4.176 -3.174 143 HH TYR 16 HH TYR 16 -8.753 4.553 -5.514 144 H ASN 17 H ASN 17 -1.430 6.397 -4.441 145 HA ASN 17 HA ASN 17 -2.518 5.514 -6.880 146 HB2 ASN 17 2HB ASN 17 -1.182 7.555 -6.740 147 HB3 ASN 17 1HB ASN 17 0.243 6.615 -6.294 148 HD21 ASN 17 1HD2 ASN 17 1.424 7.234 -8.255 149 HD22 ASN 17 2HD2 ASN 17 0.978 6.620 -9.774 150 H TRP 18 H TRP 18 0.288 4.400 -5.012 151 HA TRP 18 HA TRP 18 1.254 2.500 -6.830 152 HB2 TRP 18 2HB TRP 18 2.624 3.111 -4.976 153 HB3 TRP 18 1HB TRP 18 1.378 2.659 -3.817 154 HD1 TRP 18 HD TRP 18 1.156 0.144 -3.168 155 HE1 TRP 18 1HE TRP 18 2.591 -1.941 -3.654 156 HE3 TRP 18 3HE TRP 18 4.190 2.002 -6.827 157 HZ2 TRP 18 2HZ TRP 18 4.747 -2.716 -5.367 158 HZ3 TRP 18 3HZ TRP 18 5.931 0.575 -7.862 159 HH2 TRP 18 HH TRP 18 6.213 -1.781 -7.137 160 H ALA 19 H ALA 19 -1.116 2.135 -4.180 161 HA ALA 19 HA ALA 19 -1.503 -0.639 -4.525 162 HB1 ALA 19 1HB ALA 19 -3.811 -0.064 -3.445 163 HB2 ALA 19 2HB ALA 19 -3.120 1.548 -3.252 164 HB3 ALA 19 3HB ALA 19 -2.336 0.156 -2.504 165 H LYS 20 H LYS 20 -3.139 2.169 -5.947 166 HA LYS 20 HA LYS 20 -5.136 0.726 -7.330 167 HB2 LYS 20 2HB LYS 20 -5.185 3.189 -7.016 168 HB3 LYS 20 1HB LYS 20 -3.836 3.335 -8.146 169 HG2 LYS 20 2HG LYS 20 -5.172 2.314 -9.926 170 HG3 LYS 20 1HG LYS 20 -6.515 2.071 -8.808 171 HD2 LYS 20 2HD LYS 20 -6.671 4.515 -8.476 172 HD3 LYS 20 1HD LYS 20 -5.344 4.750 -9.612 173 HE2 LYS 20 2HE LYS 20 -6.676 3.700 -11.400 174 HE3 LYS 20 1HE LYS 20 -8.001 3.443 -10.263 175 HZ1 LYS 20 1HZ LYS 20 -7.721 5.622 -11.799 176 HZ2 LYS 20 2HZ LYS 20 -6.998 6.144 -10.353 177 HZ3 LYS 20 3HZ LYS 20 -8.601 5.579 -10.347 178 H SER 21 H SER 21 -1.885 1.793 -8.308 179 HA SER 21 HA SER 21 -1.973 0.916 -10.972 180 HB2 SER 21 2HB SER 21 0.409 1.127 -9.125 181 HB3 SER 21 1HB SER 21 0.484 0.987 -10.877 182 HG SER 21 HG SER 21 0.282 3.072 -10.866 183 H HIS 22 H HIS 22 -0.939 -0.814 -8.019 184 HA HIS 22 HA HIS 22 -0.992 -3.329 -9.599 185 HB2 HIS 22 2HB HIS 22 0.981 -2.499 -7.465 186 HB3 HIS 22 1HB HIS 22 0.857 -4.130 -8.128 187 HD1 HIS 22 1HD HIS 22 1.079 -4.217 -10.882 188 HD2 HIS 22 2HD HIS 22 2.564 -0.817 -8.980 189 HE1 HIS 22 1HE HIS 22 2.625 -3.084 -12.540 190 HE2 HIS 22 2HE HIS 22 3.545 -1.016 -11.391 191 H VAL 23 H VAL 23 -3.076 -3.808 -8.899 192 HA VAL 23 HA VAL 23 -3.859 -3.776 -6.164 193 HB VAL 23 HB VAL 23 -5.801 -5.126 -6.910 194 HG11 VAL 23 1HG1 VAL 23 -6.612 -3.501 -8.684 195 HG12 VAL 23 2HG1 VAL 23 -5.003 -2.778 -8.654 196 HG13 VAL 23 3HG1 VAL 23 -6.013 -2.749 -7.207 197 HG21 VAL 23 1HG2 VAL 23 -4.719 -6.583 -8.513 198 HG22 VAL 23 2HG2 VAL 23 -4.250 -5.208 -9.514 199 HG23 VAL 23 3HG2 VAL 23 -5.950 -5.653 -9.368 200 H GLY 24 H GLY 24 -2.092 -5.931 -8.146 201 HA2 GLY 24 2HA GLY 24 -2.504 -8.369 -6.788 202 HA3 GLY 24 1HA GLY 24 -1.093 -7.967 -7.764 203 H LYS 25 H LYS 25 -0.144 -5.749 -6.300 204 HA LYS 25 HA LYS 25 1.391 -7.001 -4.292 205 HB2 LYS 25 2HB LYS 25 0.784 -4.061 -4.736 206 HB3 LYS 25 1HB LYS 25 2.029 -4.669 -3.649 207 HG2 LYS 25 2HG LYS 25 1.995 -5.462 -6.557 208 HG3 LYS 25 1HG LYS 25 2.737 -3.950 -6.043 209 HD2 LYS 25 2HD LYS 25 4.189 -5.226 -4.474 210 HD3 LYS 25 1HD LYS 25 3.492 -6.728 -5.076 211 HE2 LYS 25 2HE LYS 25 4.252 -6.162 -7.358 212 HE3 LYS 25 1HE LYS 25 4.992 -4.688 -6.732 213 HZ1 LYS 25 1HZ LYS 25 6.751 -5.833 -6.078 214 HZ2 LYS 25 2HZ LYS 25 6.107 -7.217 -6.827 215 HZ3 LYS 25 3HZ LYS 25 5.793 -6.911 -5.186 216 H VAL 26 H VAL 26 -1.556 -5.078 -4.197 217 HA VAL 26 HA VAL 26 -1.806 -4.794 -1.408 218 HB VAL 26 HB VAL 26 -3.858 -4.854 -3.615 219 HG11 VAL 26 1HG1 VAL 26 -4.169 -4.610 -0.643 220 HG12 VAL 26 2HG1 VAL 26 -5.236 -5.373 -1.819 221 HG13 VAL 26 3HG1 VAL 26 -5.200 -3.617 -1.677 222 HG21 VAL 26 1HG2 VAL 26 -2.880 -2.557 -1.904 223 HG22 VAL 26 2HG2 VAL 26 -3.811 -2.470 -3.399 224 HG23 VAL 26 3HG2 VAL 26 -2.127 -2.990 -3.439 225 H TRP 27 H TRP 27 -3.105 -7.191 -3.630 226 HA TRP 27 HA TRP 27 -4.478 -8.739 -1.708 227 HB2 TRP 27 2HB TRP 27 -3.337 -9.398 -4.424 228 HB3 TRP 27 1HB TRP 27 -4.199 -10.590 -3.449 229 HD1 TRP 27 HD TRP 27 -4.818 -8.109 -6.018 230 HE1 TRP 27 1HE TRP 27 -7.307 -7.438 -6.101 231 HE3 TRP 27 3HE TRP 27 -6.403 -10.046 -1.566 232 HZ2 TRP 27 2HZ TRP 27 -9.658 -7.698 -4.497 233 HZ3 TRP 27 3HZ TRP 27 -8.771 -9.823 -0.869 234 HH2 TRP 27 HH TRP 27 -10.399 -8.650 -2.328 235 H GLU 28 H GLU 28 -1.183 -8.963 -3.018 236 HA GLU 28 HA GLU 28 -0.416 -11.333 -1.775 237 HB2 GLU 28 2HB GLU 28 0.890 -10.115 -3.534 238 HB3 GLU 28 1HB GLU 28 1.372 -8.951 -2.298 239 HG2 GLU 28 2HG GLU 28 3.130 -10.589 -2.450 240 HG3 GLU 28 1HG GLU 28 2.267 -10.888 -0.943 241 H TRP 29 H TRP 29 -0.140 -7.949 -0.554 242 HA TRP 29 HA TRP 29 1.149 -8.751 1.848 243 HB2 TRP 29 2HB TRP 29 -0.596 -6.309 1.737 244 HB3 TRP 29 1HB TRP 29 0.849 -6.597 2.685 245 HD1 TRP 29 HD TRP 29 -0.127 -4.527 0.067 246 HE1 TRP 29 1HE TRP 29 1.771 -3.939 -1.565 247 HE3 TRP 29 3HE TRP 29 3.271 -8.110 1.351 248 HZ2 TRP 29 2HZ TRP 29 4.385 -4.843 -2.218 249 HZ3 TRP 29 3HZ TRP 29 5.456 -8.199 0.219 250 HH2 TRP 29 HH TRP 29 6.030 -6.577 -1.560 251 H LEU 30 H LEU 30 -2.255 -8.302 0.992 252 HA LEU 30 HA LEU 30 -3.253 -8.554 3.634 253 HB2 LEU 30 2HB LEU 30 -4.484 -8.991 0.926 254 HB3 LEU 30 1HB LEU 30 -5.386 -9.360 2.394 255 HG LEU 30 HG LEU 30 -4.048 -6.689 1.875 256 HD11 LEU 30 1HD1 LEU 30 -5.721 -6.747 0.227 257 HD12 LEU 30 2HD1 LEU 30 -6.534 -5.977 1.593 258 HD13 LEU 30 3HD1 LEU 30 -6.822 -7.684 1.244 259 HD21 LEU 30 1HD2 LEU 30 -6.025 -6.188 3.660 260 HD22 LEU 30 2HD2 LEU 30 -4.404 -6.658 4.155 261 HD23 LEU 30 3HD2 LEU 30 -5.684 -7.864 4.086 262 H LYS 31 H LYS 31 -2.598 -10.973 1.130 263 HA LYS 31 HA LYS 31 -3.616 -13.208 2.498 264 HB2 LYS 31 2HB LYS 31 -2.965 -13.180 0.084 265 HB3 LYS 31 1HB LYS 31 -1.273 -13.139 0.583 266 HG2 LYS 31 2HG LYS 31 -1.504 -15.275 1.728 267 HG3 LYS 31 1HG LYS 31 -3.234 -15.303 1.396 268 HD2 LYS 31 2HD LYS 31 -2.384 -16.669 -0.306 269 HD3 LYS 31 1HD LYS 31 -2.506 -15.103 -1.108 270 HE2 LYS 31 2HE LYS 31 -0.319 -16.187 -1.546 271 HE3 LYS 31 1HE LYS 31 -0.126 -14.671 -0.668 272 HZ1 LYS 31 1HZ LYS 31 0.537 -15.726 1.194 273 HZ2 LYS 31 2HZ LYS 31 1.000 -16.937 0.097 274 HZ3 LYS 31 3HZ LYS 31 -0.468 -17.069 0.942 275 H SER 32 H SER 32 -0.414 -11.722 2.450 276 HA SER 32 HA SER 32 0.941 -13.602 4.035 277 HB2 SER 32 2HB SER 32 1.346 -10.648 3.595 278 HB3 SER 32 1HB SER 32 2.458 -11.633 4.545 279 HG SER 32 HG SER 32 1.720 -12.682 2.099 280 H GLY 33 H GLY 33 -0.966 -10.760 4.888 281 HA2 GLY 33 2HA GLY 33 -2.221 -10.541 6.881 282 HA3 GLY 33 1HA GLY 33 -1.203 -11.765 7.633 283 H ALA 34 H ALA 34 0.513 -9.454 5.835 284 HA ALA 34 HA ALA 34 2.041 -8.530 7.979 285 HB1 ALA 34 1HB ALA 34 3.025 -8.171 5.907 286 HB2 ALA 34 2HB ALA 34 2.474 -6.548 6.314 287 HB3 ALA 34 3HB ALA 34 1.542 -7.538 5.195 288 H THR 35 H THR 35 2.125 -5.810 7.898 289 HA THR 35 HA THR 35 -0.469 -5.012 9.093 290 HB THR 35 HB THR 35 0.725 -3.615 10.595 291 HG1 THR 35 1HG THR 35 2.458 -2.677 9.926 292 HG21 THR 35 1HG2 THR 35 0.936 -6.192 10.850 293 HG22 THR 35 2HG2 THR 35 1.995 -5.169 11.822 294 HG23 THR 35 3HG2 THR 35 2.614 -5.950 10.365 295 H TYR 36 H TYR 36 -1.276 -2.952 8.580 296 HA TYR 36 HA TYR 36 -0.927 -2.062 5.946 297 HB2 TYR 36 2HB TYR 36 -1.934 -0.418 8.269 298 HB3 TYR 36 1HB TYR 36 -2.291 -0.172 6.562 299 HD1 TYR 36 1HD TYR 36 -3.079 -2.590 5.405 300 HD2 TYR 36 2HD TYR 36 -3.679 -1.334 9.471 301 HE1 TYR 36 1HE TYR 36 -5.017 -4.132 5.591 302 HE2 TYR 36 2HE TYR 36 -5.612 -2.873 9.660 303 HH TYR 36 HH TYR 36 -6.177 -5.358 7.666 304 H GLU 37 H GLU 37 0.445 -0.833 8.985 305 HA GLU 37 HA GLU 37 1.743 1.404 7.888 306 HB2 GLU 37 2HB GLU 37 1.402 1.021 10.325 307 HB3 GLU 37 1HB GLU 37 2.616 -0.257 10.257 308 HG2 GLU 37 2HG GLU 37 4.307 1.346 9.512 309 HG3 GLU 37 1HG GLU 37 3.102 2.632 9.488 310 H GLN 38 H GLN 38 3.010 -1.851 8.582 311 HA GLN 38 HA GLN 38 5.594 -1.373 7.629 312 HB2 GLN 38 2HB GLN 38 4.880 -3.366 8.919 313 HB3 GLN 38 1HB GLN 38 4.073 -3.977 7.479 314 HG2 GLN 38 2HG GLN 38 6.219 -3.937 6.270 315 HG3 GLN 38 1HG GLN 38 7.030 -3.358 7.724 316 HE21 GLN 38 1HE2 GLN 38 8.278 -5.228 8.297 317 HE22 GLN 38 2HE2 GLN 38 7.579 -6.741 8.617 318 H ILE 39 H ILE 39 2.689 -2.439 5.894 319 HA ILE 39 HA ILE 39 3.960 -2.956 3.437 320 HB ILE 39 HB ILE 39 1.103 -2.202 4.065 321 HG12 ILE 39 2HG1 ILE 39 2.224 -4.904 3.329 322 HG13 ILE 39 1HG1 ILE 39 2.243 -4.353 5.003 323 HG21 ILE 39 1HG2 ILE 39 2.377 -3.369 1.560 324 HG22 ILE 39 2HG2 ILE 39 1.620 -1.777 1.687 325 HG23 ILE 39 3HG2 ILE 39 0.640 -3.232 1.838 326 HD11 ILE 39 1HD1 ILE 39 0.194 -5.614 4.627 327 HD12 ILE 39 2HD1 ILE 39 -0.192 -4.614 3.222 328 HD13 ILE 39 3HD1 ILE 39 -0.207 -3.915 4.839 329 H LYS 40 H LYS 40 2.362 0.099 4.648 330 HA LYS 40 HA LYS 40 2.911 1.374 2.147 331 HB2 LYS 40 2HB LYS 40 2.712 3.588 3.291 332 HB3 LYS 40 1HB LYS 40 1.275 2.544 3.433 333 HG2 LYS 40 2HG LYS 40 1.747 1.992 5.682 334 HG3 LYS 40 1HG LYS 40 3.415 2.573 5.565 335 HD2 LYS 40 2HD LYS 40 2.565 4.882 5.227 336 HD3 LYS 40 1HD LYS 40 0.915 4.289 5.405 337 HE2 LYS 40 2HE LYS 40 1.331 3.626 7.688 338 HE3 LYS 40 1HE LYS 40 3.052 3.980 7.533 339 HZ1 LYS 40 1HZ LYS 40 2.693 6.181 7.719 340 HZ2 LYS 40 2HZ LYS 40 1.276 5.685 8.518 341 HZ3 LYS 40 3HZ LYS 40 1.220 6.136 6.880 342 H GLU 41 H GLU 41 4.742 0.907 5.122 343 HA GLU 41 HA GLU 41 6.752 2.761 4.695 344 HB2 GLU 41 2HB GLU 41 6.524 1.428 6.768 345 HB3 GLU 41 1HB GLU 41 7.074 0.001 5.887 346 HG2 GLU 41 2HG GLU 41 9.204 1.096 5.388 347 HG3 GLU 41 1HG GLU 41 8.656 2.569 6.188 348 H TRP 42 H TRP 42 6.538 -0.625 3.603 349 HA TRP 42 HA TRP 42 9.000 -0.670 2.204 350 HB2 TRP 42 2HB TRP 42 6.422 -2.151 1.602 351 HB3 TRP 42 1HB TRP 42 7.973 -2.504 0.861 352 HD1 TRP 42 HD TRP 42 9.705 -2.271 3.641 353 HE1 TRP 42 1HE TRP 42 9.527 -4.234 5.297 354 HE3 TRP 42 3HE TRP 42 5.297 -4.327 2.098 355 HZ2 TRP 42 2HZ TRP 42 7.751 -6.398 5.888 356 HZ3 TRP 42 3HZ TRP 42 4.385 -6.335 3.220 357 HH2 TRP 42 HH TRP 42 5.604 -7.375 5.115 358 H ILE 43 H ILE 43 5.716 0.197 1.224 359 HA ILE 43 HA ILE 43 6.278 0.603 -1.514 360 HB ILE 43 HB ILE 43 4.125 1.773 0.254 361 HG12 ILE 43 2HG1 ILE 43 3.995 -0.395 -1.856 362 HG13 ILE 43 1HG1 ILE 43 4.221 -0.734 -0.140 363 HG21 ILE 43 1HG2 ILE 43 4.568 1.912 -2.734 364 HG22 ILE 43 2HG2 ILE 43 4.292 3.247 -1.621 365 HG23 ILE 43 3HG2 ILE 43 2.979 2.134 -1.999 366 HD11 ILE 43 1HD1 ILE 43 2.092 0.076 0.431 367 HD12 ILE 43 2HD1 ILE 43 1.794 -0.747 -1.101 368 HD13 ILE 43 3HD1 ILE 43 1.945 1.012 -1.056 369 H GLU 44 H GLU 44 6.227 2.980 1.153 370 HA GLU 44 HA GLU 44 6.794 5.091 -0.599 371 HB2 GLU 44 2HB GLU 44 7.033 6.504 1.331 372 HB3 GLU 44 1HB GLU 44 5.642 5.439 1.548 373 HG2 GLU 44 2HG GLU 44 6.486 4.655 3.480 374 HG3 GLU 44 1HG GLU 44 7.953 4.136 2.664 375 H ASN 45 H ASN 45 8.897 2.884 1.238 376 HA ASN 45 HA ASN 45 11.306 4.285 0.804 377 HB2 ASN 45 2HB ASN 45 11.167 2.447 2.399 378 HB3 ASN 45 1HB ASN 45 10.766 1.316 1.106 379 HD21 ASN 45 1HD2 ASN 45 12.603 0.023 0.824 380 HD22 ASN 45 2HD2 ASN 45 14.185 0.623 0.669 381 H ALA 46 H ALA 46 9.589 1.827 -1.154 382 HA ALA 46 HA ALA 46 11.567 1.646 -3.182 383 HB1 ALA 46 1HB ALA 46 8.593 1.206 -3.499 384 HB2 ALA 46 2HB ALA 46 9.698 0.014 -2.815 385 HB3 ALA 46 3HB ALA 46 9.883 0.530 -4.493 386 H LEU 47 H LEU 47 8.676 3.652 -2.814 387 HA LEU 47 HA LEU 47 8.666 4.906 -5.304 388 HB2 LEU 47 2HB LEU 47 6.999 4.951 -3.257 389 HB3 LEU 47 1HB LEU 47 7.914 6.375 -2.793 390 HG LEU 47 HG LEU 47 6.088 7.195 -4.071 391 HD11 LEU 47 1HD1 LEU 47 8.404 8.048 -4.716 392 HD12 LEU 47 2HD1 LEU 47 7.130 8.304 -5.904 393 HD13 LEU 47 3HD1 LEU 47 8.291 7.000 -6.133 394 HD21 LEU 47 1HD2 LEU 47 5.660 4.832 -5.084 395 HD22 LEU 47 2HD2 LEU 47 6.719 5.369 -6.389 396 HD23 LEU 47 3HD2 LEU 47 5.232 6.245 -6.045 397 H GLY 48 H GLY 48 10.304 5.846 -2.264 398 HA2 GLY 48 2HA GLY 48 11.404 8.256 -3.214 399 HA3 GLY 48 1HA GLY 48 12.039 7.298 -1.877 400 H TRP 49 H TRP 49 12.626 4.926 -3.206 401 HA TRP 49 HA TRP 49 14.328 5.548 -5.475 402 HB2 TRP 49 2HB TRP 49 16.371 4.630 -4.367 403 HB3 TRP 49 1HB TRP 49 15.831 6.165 -3.692 404 HD1 TRP 49 HD TRP 49 14.696 6.137 -1.296 405 HE1 TRP 49 1HE TRP 49 14.814 4.432 0.633 406 HE3 TRP 49 3HE TRP 49 16.549 2.100 -3.805 407 HZ2 TRP 49 2HZ TRP 49 15.597 1.712 1.057 408 HZ3 TRP 49 3HZ TRP 49 16.975 -0.034 -2.619 409 HH2 TRP 49 HH TRP 49 16.501 -0.232 -0.193 410 H ARG 50 H ARG 50 15.259 3.617 -6.459 411 HA ARG 50 HA ARG 50 14.716 0.995 -5.533 412 HB2 ARG 50 2HB ARG 50 12.954 0.343 -7.120 413 HB3 ARG 50 1HB ARG 50 12.374 1.586 -6.011 414 HG2 ARG 50 2HG ARG 50 12.811 3.317 -7.708 415 HG3 ARG 50 1HG ARG 50 13.409 2.088 -8.820 416 HD2 ARG 50 2HD ARG 50 10.612 2.109 -7.658 417 HD3 ARG 50 1HD ARG 50 11.031 2.740 -9.248 418 HE ARG 50 HE ARG 50 11.990 0.110 -9.103 419 HH11 ARG 50 1HH1 ARG 50 10.790 -1.564 -10.056 420 HH12 ARG 50 2HH1 ARG 50 9.092 -1.360 -10.331 421 HH21 ARG 50 1HH2 ARG 50 9.007 1.862 -9.040 422 HH22 ARG 50 2HH2 ARG 50 8.081 0.585 -9.754 Start of MODEL 10 1 H FME 1 H FME 1 -11.799 -4.049 -0.166 2 HCN FME 1 HF FME 1 -12.019 -6.345 0.211 3 HA FME 1 HA FME 1 -9.511 -4.097 1.582 4 HB2 FME 1 1HB FME 1 -8.408 -5.028 -0.346 5 HB3 FME 1 2HB FME 1 -7.911 -3.345 -0.196 6 HG2 FME 1 1HG FME 1 -9.993 -2.948 -1.804 7 HG3 FME 1 2HG FME 1 -9.676 -4.625 -2.245 8 HE1 FME 1 1HE FME 1 -6.815 -4.629 -4.474 9 HE2 FME 1 2HE FME 1 -8.533 -4.979 -4.313 10 HE3 FME 1 3HE FME 1 -7.409 -5.539 -3.078 11 H ALA 2 H ALA 2 -12.124 -2.664 0.879 12 HA ALA 2 HA ALA 2 -11.581 -0.061 -0.004 13 HB1 ALA 2 1HB ALA 2 -13.854 -0.949 0.193 14 HB2 ALA 2 2HB ALA 2 -13.689 0.553 1.100 15 HB3 ALA 2 3HB ALA 2 -13.695 -0.993 1.949 16 H GLY 3 H GLY 3 -11.688 -1.358 3.320 17 HA2 GLY 3 2HA GLY 3 -11.109 1.071 4.635 18 HA3 GLY 3 1HA GLY 3 -10.813 -0.541 5.287 19 H LEU 4 H LEU 4 -9.068 -1.495 3.371 20 HA LEU 4 HA LEU 4 -6.586 -0.608 4.307 21 HB2 LEU 4 2HB LEU 4 -7.070 -2.857 3.407 22 HB3 LEU 4 1HB LEU 4 -7.348 -2.178 1.814 23 HG LEU 4 HG LEU 4 -5.057 -3.340 2.442 24 HD11 LEU 4 1HD1 LEU 4 -3.917 -1.614 0.861 25 HD12 LEU 4 2HD1 LEU 4 -5.532 -0.919 0.743 26 HD13 LEU 4 3HD1 LEU 4 -5.256 -2.588 0.261 27 HD21 LEU 4 1HD2 LEU 4 -3.345 -1.871 3.222 28 HD22 LEU 4 2HD2 LEU 4 -4.664 -1.779 4.381 29 HD23 LEU 4 3HD2 LEU 4 -4.426 -0.492 3.209 30 H LEU 5 H LEU 5 -8.297 0.063 1.264 31 HA LEU 5 HA LEU 5 -6.319 1.722 0.102 32 HB2 LEU 5 2HB LEU 5 -9.314 1.570 -0.281 33 HB3 LEU 5 1HB LEU 5 -8.266 2.595 -1.260 34 HG LEU 5 HG LEU 5 -7.894 -0.398 -0.943 35 HD11 LEU 5 1HD1 LEU 5 -9.177 1.166 -3.203 36 HD12 LEU 5 2HD1 LEU 5 -10.009 0.069 -2.100 37 HD13 LEU 5 3HD1 LEU 5 -8.817 -0.561 -3.237 38 HD21 LEU 5 1HD2 LEU 5 -5.825 0.336 -1.659 39 HD22 LEU 5 2HD2 LEU 5 -6.472 1.786 -2.422 40 HD23 LEU 5 3HD2 LEU 5 -6.620 0.225 -3.225 41 H ARG 6 H ARG 6 -9.149 2.454 2.134 42 HA ARG 6 HA ARG 6 -8.971 5.252 2.047 43 HB2 ARG 6 2HB ARG 6 -10.900 3.999 2.981 44 HB3 ARG 6 1HB ARG 6 -9.907 3.524 4.354 45 HG2 ARG 6 2HG ARG 6 -9.946 6.451 3.783 46 HG3 ARG 6 1HG ARG 6 -11.481 5.773 4.305 47 HD2 ARG 6 2HD ARG 6 -10.365 4.795 6.286 48 HD3 ARG 6 1HD ARG 6 -8.842 5.508 5.769 49 HE ARG 6 HE ARG 6 -10.910 7.473 5.980 50 HH11 ARG 6 1HH1 ARG 6 -10.753 8.924 7.704 51 HH12 ARG 6 2HH1 ARG 6 -9.725 8.561 9.050 52 HH21 ARG 6 1HH2 ARG 6 -8.676 5.513 7.746 53 HH22 ARG 6 2HH2 ARG 6 -8.534 6.622 9.070 54 H PHE 7 H PHE 7 -7.494 2.912 4.263 55 HA PHE 7 HA PHE 7 -6.245 4.745 5.974 56 HB2 PHE 7 2HB PHE 7 -6.507 2.305 6.393 57 HB3 PHE 7 1HB PHE 7 -5.278 1.998 5.168 58 HD1 PHE 7 1HD PHE 7 -2.948 2.329 5.617 59 HD2 PHE 7 2HD PHE 7 -5.899 3.546 8.497 60 HE1 PHE 7 1HE PHE 7 -1.169 2.620 7.318 61 HE2 PHE 7 2HE PHE 7 -4.114 3.837 10.198 62 HZ PHE 7 HZ PHE 7 -1.749 3.370 9.608 63 H LEU 8 H LEU 8 -5.035 3.145 3.007 64 HA LEU 8 HA LEU 8 -2.447 4.261 3.172 65 HB2 LEU 8 2HB LEU 8 -4.069 3.242 0.854 66 HB3 LEU 8 1HB LEU 8 -2.422 3.839 0.647 67 HG LEU 8 HG LEU 8 -3.009 1.793 2.773 68 HD11 LEU 8 1HD1 LEU 8 -3.985 0.751 0.868 69 HD12 LEU 8 2HD1 LEU 8 -2.368 0.065 1.007 70 HD13 LEU 8 3HD1 LEU 8 -2.698 1.313 -0.197 71 HD21 LEU 8 1HD2 LEU 8 -0.579 1.905 0.995 72 HD22 LEU 8 2HD2 LEU 8 -0.717 1.320 2.650 73 HD23 LEU 8 3HD2 LEU 8 -0.726 3.049 2.328 74 H LEU 9 H LEU 9 -5.401 5.423 1.659 75 HA LEU 9 HA LEU 9 -4.330 7.703 0.387 76 HB2 LEU 9 2HB LEU 9 -6.562 6.773 -0.049 77 HB3 LEU 9 1HB LEU 9 -7.093 7.271 1.546 78 HG LEU 9 HG LEU 9 -6.569 9.637 0.950 79 HD11 LEU 9 1HD1 LEU 9 -6.389 9.905 -1.685 80 HD12 LEU 9 2HD1 LEU 9 -5.698 8.286 -1.579 81 HD13 LEU 9 3HD1 LEU 9 -4.947 9.622 -0.709 82 HD21 LEU 9 1HD2 LEU 9 -8.865 8.813 0.647 83 HD22 LEU 9 2HD2 LEU 9 -8.452 8.207 -0.956 84 HD23 LEU 9 3HD2 LEU 9 -8.455 9.943 -0.644 85 H SER 10 H SER 10 -5.813 7.292 3.600 86 HA SER 10 HA SER 10 -5.699 9.979 4.388 87 HB2 SER 10 2HB SER 10 -5.480 7.501 6.108 88 HB3 SER 10 1HB SER 10 -5.858 9.121 6.688 89 HG SER 10 HG SER 10 -7.366 8.136 4.568 90 H LYS 11 H LYS 11 -3.310 7.378 4.623 91 HA LYS 11 HA LYS 11 -1.436 8.959 6.114 92 HB2 LYS 11 2HB LYS 11 -1.049 6.483 4.431 93 HB3 LYS 11 1HB LYS 11 0.208 7.205 5.427 94 HG2 LYS 11 2HG LYS 11 -2.468 6.267 6.511 95 HG3 LYS 11 1HG LYS 11 -1.006 5.286 6.525 96 HD2 LYS 11 2HD LYS 11 0.077 7.332 7.732 97 HD3 LYS 11 1HD LYS 11 -1.585 7.816 8.056 98 HE2 LYS 11 2HE LYS 11 -2.048 5.729 9.182 99 HE3 LYS 11 1HE LYS 11 -0.447 5.105 8.766 100 HZ1 LYS 11 1HZ LYS 11 0.478 7.050 9.996 101 HZ2 LYS 11 2HZ LYS 11 -0.341 5.926 10.971 102 HZ3 LYS 11 3HZ LYS 11 -1.091 7.390 10.544 103 H GLY 12 H GLY 12 -1.746 8.217 2.655 104 HA2 GLY 12 2HA GLY 12 -0.552 10.706 1.894 105 HA3 GLY 12 1HA GLY 12 0.533 9.343 1.624 106 H ARG 13 H ARG 13 -0.502 10.982 -0.423 107 HA ARG 13 HA ARG 13 -2.682 9.592 -1.731 108 HB2 ARG 13 2HB ARG 13 -0.828 11.805 -2.622 109 HB3 ARG 13 1HB ARG 13 -2.126 11.153 -3.621 110 HG2 ARG 13 2HG ARG 13 -3.770 11.755 -1.876 111 HG3 ARG 13 1HG ARG 13 -2.470 12.415 -0.882 112 HD2 ARG 13 2HD ARG 13 -3.117 13.377 -3.680 113 HD3 ARG 13 1HD ARG 13 -3.686 14.163 -2.207 114 HE ARG 13 HE ARG 13 -0.889 13.863 -2.046 115 HH11 ARG 13 1HH1 ARG 13 0.441 15.631 -2.496 116 HH12 ARG 13 2HH1 ARG 13 -0.175 16.963 -3.417 117 HH21 ARG 13 1HH2 ARG 13 -3.333 15.575 -3.798 118 HH22 ARG 13 2HH2 ARG 13 -2.317 16.929 -4.159 119 H ALA 14 H ALA 14 0.795 9.724 -1.835 120 HA ALA 14 HA ALA 14 1.264 8.419 -4.270 121 HB1 ALA 14 1HB ALA 14 2.870 9.609 -2.565 122 HB2 ALA 14 2HB ALA 14 3.472 8.308 -3.595 123 HB3 ALA 14 3HB ALA 14 3.055 7.980 -1.913 124 H LEU 15 H LEU 15 0.873 7.108 -0.992 125 HA LEU 15 HA LEU 15 1.402 4.412 -1.601 126 HB2 LEU 15 2HB LEU 15 -0.561 5.420 0.470 127 HB3 LEU 15 1HB LEU 15 0.360 3.922 0.502 128 HG LEU 15 HG LEU 15 1.651 6.661 0.510 129 HD11 LEU 15 1HD1 LEU 15 0.485 6.581 2.562 130 HD12 LEU 15 2HD1 LEU 15 2.112 6.025 2.953 131 HD13 LEU 15 3HD1 LEU 15 0.802 4.863 2.766 132 HD21 LEU 15 1HD2 LEU 15 3.188 5.012 -0.247 133 HD22 LEU 15 2HD2 LEU 15 2.622 3.835 0.936 134 HD23 LEU 15 3HD2 LEU 15 3.544 5.241 1.462 135 H TYR 16 H TYR 16 -1.637 6.287 -1.600 136 HA TYR 16 HA TYR 16 -3.414 4.175 -2.179 137 HB2 TYR 16 2HB TYR 16 -4.252 6.333 -1.456 138 HB3 TYR 16 1HB TYR 16 -3.580 7.117 -2.883 139 HD1 TYR 16 1HD TYR 16 -4.762 7.134 -4.951 140 HD2 TYR 16 2HD TYR 16 -6.064 4.584 -1.751 141 HE1 TYR 16 1HE TYR 16 -6.857 6.647 -6.195 142 HE2 TYR 16 2HE TYR 16 -8.158 4.098 -2.987 143 HH TYR 16 HH TYR 16 -9.356 5.879 -5.350 144 H ASN 17 H ASN 17 -1.665 6.404 -4.303 145 HA ASN 17 HA ASN 17 -2.725 5.483 -6.746 146 HB2 ASN 17 2HB ASN 17 -1.438 7.582 -6.535 147 HB3 ASN 17 1HB ASN 17 0.017 6.646 -6.192 148 HD21 ASN 17 1HD2 ASN 17 0.005 8.340 -8.456 149 HD22 ASN 17 2HD2 ASN 17 -0.037 7.391 -9.864 150 H TRP 18 H TRP 18 0.151 4.498 -4.912 151 HA TRP 18 HA TRP 18 1.179 2.636 -6.740 152 HB2 TRP 18 2HB TRP 18 2.552 3.294 -4.902 153 HB3 TRP 18 1HB TRP 18 1.321 2.832 -3.727 154 HD1 TRP 18 HD TRP 18 0.891 0.208 -3.365 155 HE1 TRP 18 1HE TRP 18 2.452 -1.817 -3.677 156 HE3 TRP 18 3HE TRP 18 4.513 2.323 -6.281 157 HZ2 TRP 18 2HZ TRP 18 4.902 -2.459 -4.983 158 HZ3 TRP 18 3HZ TRP 18 6.453 0.978 -7.041 159 HH2 TRP 18 HH TRP 18 6.651 -1.410 -6.395 160 H ALA 19 H ALA 19 -1.136 2.208 -4.062 161 HA ALA 19 HA ALA 19 -1.450 -0.576 -4.318 162 HB1 ALA 19 1HB ALA 19 -3.744 -0.099 -3.269 163 HB2 ALA 19 2HB ALA 19 -3.240 1.591 -3.245 164 HB3 ALA 19 3HB ALA 19 -2.318 0.381 -2.351 165 H LYS 20 H LYS 20 -3.220 2.109 -5.816 166 HA LYS 20 HA LYS 20 -5.152 0.561 -7.178 167 HB2 LYS 20 2HB LYS 20 -5.316 3.017 -6.842 168 HB3 LYS 20 1HB LYS 20 -3.996 3.238 -7.989 169 HG2 LYS 20 2HG LYS 20 -5.318 2.150 -9.755 170 HG3 LYS 20 1HG LYS 20 -6.642 1.892 -8.618 171 HD2 LYS 20 2HD LYS 20 -6.840 4.341 -8.308 172 HD3 LYS 20 1HD LYS 20 -5.535 4.581 -9.471 173 HE2 LYS 20 2HE LYS 20 -7.695 4.849 -10.599 174 HE3 LYS 20 1HE LYS 20 -6.878 3.406 -11.198 175 HZ1 LYS 20 1HZ LYS 20 -8.732 3.183 -8.927 176 HZ2 LYS 20 2HZ LYS 20 -8.305 2.016 -10.087 177 HZ3 LYS 20 3HZ LYS 20 -9.355 3.286 -10.502 178 H SER 21 H SER 21 -1.979 1.799 -8.167 179 HA SER 21 HA SER 21 -2.037 0.954 -10.837 180 HB2 SER 21 2HB SER 21 0.324 1.278 -8.976 181 HB3 SER 21 1HB SER 21 0.425 1.132 -10.728 182 HG SER 21 HG SER 21 0.381 3.297 -10.244 183 H HIS 22 H HIS 22 -0.902 -0.742 -7.903 184 HA HIS 22 HA HIS 22 -0.789 -3.234 -9.524 185 HB2 HIS 22 2HB HIS 22 1.006 -2.347 -7.257 186 HB3 HIS 22 1HB HIS 22 1.000 -3.971 -7.943 187 HD1 HIS 22 1HD HIS 22 1.453 -4.019 -10.657 188 HD2 HIS 22 2HD HIS 22 2.617 -0.583 -8.607 189 HE1 HIS 22 1HE HIS 22 3.113 -2.822 -12.150 190 HE2 HIS 22 2HE HIS 22 3.834 -0.724 -10.912 191 H VAL 23 H VAL 23 -2.890 -3.786 -8.971 192 HA VAL 23 HA VAL 23 -3.816 -3.858 -6.294 193 HB VAL 23 HB VAL 23 -5.634 -5.311 -7.212 194 HG11 VAL 23 1HG1 VAL 23 -6.023 -2.973 -7.350 195 HG12 VAL 23 2HG1 VAL 23 -6.373 -3.588 -8.965 196 HG13 VAL 23 3HG1 VAL 23 -4.842 -2.774 -8.646 197 HG21 VAL 23 1HG2 VAL 23 -4.316 -6.535 -8.885 198 HG22 VAL 23 2HG2 VAL 23 -4.016 -5.037 -9.767 199 HG23 VAL 23 3HG2 VAL 23 -5.652 -5.691 -9.669 200 H GLY 24 H GLY 24 -1.885 -5.946 -8.247 201 HA2 GLY 24 2HA GLY 24 -2.266 -8.403 -6.910 202 HA3 GLY 24 1HA GLY 24 -0.829 -7.946 -7.825 203 H LYS 25 H LYS 25 -0.105 -5.656 -6.294 204 HA LYS 25 HA LYS 25 1.399 -6.856 -4.215 205 HB2 LYS 25 2HB LYS 25 0.738 -3.941 -4.743 206 HB3 LYS 25 1HB LYS 25 1.955 -4.501 -3.596 207 HG2 LYS 25 2HG LYS 25 2.063 -5.458 -6.444 208 HG3 LYS 25 1HG LYS 25 2.683 -3.855 -6.042 209 HD2 LYS 25 2HD LYS 25 4.153 -4.860 -4.324 210 HD3 LYS 25 1HD LYS 25 3.561 -6.458 -4.750 211 HE2 LYS 25 2HE LYS 25 5.660 -6.096 -5.884 212 HE3 LYS 25 1HE LYS 25 4.370 -6.099 -7.080 213 HZ1 LYS 25 1HZ LYS 25 4.362 -3.580 -6.713 214 HZ2 LYS 25 2HZ LYS 25 5.628 -4.255 -7.625 215 HZ3 LYS 25 3HZ LYS 25 5.888 -3.813 -6.007 216 H VAL 26 H VAL 26 -1.620 -5.044 -4.258 217 HA VAL 26 HA VAL 26 -1.992 -4.785 -1.478 218 HB VAL 26 HB VAL 26 -3.977 -4.966 -3.753 219 HG11 VAL 26 1HG1 VAL 26 -4.337 -4.594 -0.792 220 HG12 VAL 26 2HG1 VAL 26 -5.284 -5.573 -1.913 221 HG13 VAL 26 3HG1 VAL 26 -5.451 -3.817 -1.917 222 HG21 VAL 26 1HG2 VAL 26 -2.366 -3.002 -3.617 223 HG22 VAL 26 2HG2 VAL 26 -3.112 -2.591 -2.072 224 HG23 VAL 26 3HG2 VAL 26 -4.072 -2.562 -3.550 225 H TRP 27 H TRP 27 -3.044 -7.248 -3.778 226 HA TRP 27 HA TRP 27 -4.419 -8.894 -1.946 227 HB2 TRP 27 2HB TRP 27 -3.089 -9.415 -4.596 228 HB3 TRP 27 1HB TRP 27 -3.858 -10.714 -3.685 229 HD1 TRP 27 HD TRP 27 -5.048 -7.073 -4.111 230 HE1 TRP 27 1HE TRP 27 -7.414 -7.110 -5.128 231 HE3 TRP 27 3HE TRP 27 -5.619 -12.100 -4.842 232 HZ2 TRP 27 2HZ TRP 27 -9.300 -9.011 -6.109 233 HZ3 TRP 27 3HZ TRP 27 -7.716 -12.993 -5.815 234 HH2 TRP 27 HH TRP 27 -9.555 -11.455 -6.450 235 H GLU 28 H GLU 28 -1.048 -8.921 -3.058 236 HA GLU 28 HA GLU 28 -0.183 -11.218 -1.761 237 HB2 GLU 28 2HB GLU 28 1.168 -10.016 -3.450 238 HB3 GLU 28 1HB GLU 28 1.428 -8.708 -2.295 239 HG2 GLU 28 2HG GLU 28 2.543 -10.267 -0.750 240 HG3 GLU 28 1HG GLU 28 2.254 -11.599 -1.869 241 H TRP 29 H TRP 29 -0.212 -7.819 -0.551 242 HA TRP 29 HA TRP 29 0.974 -8.512 1.945 243 HB2 TRP 29 2HB TRP 29 -0.897 -6.183 1.661 244 HB3 TRP 29 1HB TRP 29 0.480 -6.361 2.725 245 HD1 TRP 29 HD TRP 29 -0.401 -4.333 0.074 246 HE1 TRP 29 1HE TRP 29 1.560 -3.638 -1.436 247 HE3 TRP 29 3HE TRP 29 3.068 -7.818 1.461 248 HZ2 TRP 29 2HZ TRP 29 4.248 -4.440 -1.978 249 HZ3 TRP 29 3HZ TRP 29 5.302 -7.802 0.452 250 HH2 TRP 29 HH TRP 29 5.915 -6.138 -1.267 251 H LEU 30 H LEU 30 -2.396 -8.279 0.884 252 HA LEU 30 HA LEU 30 -3.564 -8.599 3.437 253 HB2 LEU 30 2HB LEU 30 -4.459 -8.989 0.621 254 HB3 LEU 30 1HB LEU 30 -5.426 -9.751 1.874 255 HG LEU 30 HG LEU 30 -6.055 -7.348 1.128 256 HD11 LEU 30 1HD1 LEU 30 -5.618 -7.754 4.095 257 HD12 LEU 30 2HD1 LEU 30 -6.882 -8.584 3.183 258 HD13 LEU 30 3HD1 LEU 30 -6.894 -6.825 3.310 259 HD21 LEU 30 1HD2 LEU 30 -4.816 -5.532 1.833 260 HD22 LEU 30 2HD2 LEU 30 -3.511 -6.665 1.521 261 HD23 LEU 30 3HD2 LEU 30 -4.075 -6.401 3.171 262 H LYS 31 H LYS 31 -2.540 -10.985 1.007 263 HA LYS 31 HA LYS 31 -3.416 -13.284 2.389 264 HB2 LYS 31 2HB LYS 31 -2.710 -13.289 0.001 265 HB3 LYS 31 1HB LYS 31 -1.037 -13.050 0.518 266 HG2 LYS 31 2HG LYS 31 -1.108 -15.147 1.795 267 HG3 LYS 31 1HG LYS 31 -2.796 -15.379 1.343 268 HD2 LYS 31 2HD LYS 31 -2.146 -15.493 -1.038 269 HD3 LYS 31 1HD LYS 31 -0.454 -15.274 -0.583 270 HE2 LYS 31 2HE LYS 31 -0.535 -17.348 0.747 271 HE3 LYS 31 1HE LYS 31 -2.230 -17.570 0.307 272 HZ1 LYS 31 1HZ LYS 31 -0.183 -18.601 -1.062 273 HZ2 LYS 31 2HZ LYS 31 -0.419 -17.149 -1.911 274 HZ3 LYS 31 3HZ LYS 31 -1.696 -18.256 -1.746 275 H SER 32 H SER 32 -0.318 -11.552 2.410 276 HA SER 32 HA SER 32 1.054 -13.280 4.182 277 HB2 SER 32 2HB SER 32 2.573 -11.361 4.533 278 HB3 SER 32 1HB SER 32 2.241 -11.636 2.825 279 HG SER 32 HG SER 32 2.052 -9.397 3.763 280 H GLY 33 H GLY 33 -1.096 -10.544 4.713 281 HA2 GLY 33 2HA GLY 33 -2.402 -10.192 6.638 282 HA3 GLY 33 1HA GLY 33 -1.381 -11.331 7.511 283 H ALA 34 H ALA 34 0.502 -9.192 5.747 284 HA ALA 34 HA ALA 34 1.800 -8.073 7.918 285 HB1 ALA 34 1HB ALA 34 2.696 -7.982 5.630 286 HB2 ALA 34 2HB ALA 34 2.663 -6.377 6.357 287 HB3 ALA 34 3HB ALA 34 1.436 -6.833 5.175 288 H THR 35 H THR 35 1.906 -5.543 8.174 289 HA THR 35 HA THR 35 -0.821 -4.700 8.925 290 HB THR 35 HB THR 35 0.168 -3.336 10.549 291 HG1 THR 35 1HG THR 35 2.496 -2.953 10.422 292 HG21 THR 35 1HG2 THR 35 0.601 -5.867 10.800 293 HG22 THR 35 2HG2 THR 35 1.555 -4.774 11.801 294 HG23 THR 35 3HG2 THR 35 2.266 -5.490 10.353 295 H TYR 36 H TYR 36 -1.463 -2.503 8.508 296 HA TYR 36 HA TYR 36 -1.024 -1.655 5.855 297 HB2 TYR 36 2HB TYR 36 -1.992 0.162 8.049 298 HB3 TYR 36 1HB TYR 36 -2.445 0.166 6.348 299 HD1 TYR 36 1HD TYR 36 -3.051 -2.618 5.743 300 HD2 TYR 36 2HD TYR 36 -3.886 -0.360 9.300 301 HE1 TYR 36 1HE TYR 36 -4.939 -4.105 6.225 302 HE2 TYR 36 2HE TYR 36 -5.801 -1.863 9.786 303 HH TYR 36 HH TYR 36 -6.312 -4.806 8.008 304 H GLU 37 H GLU 37 0.380 -0.577 8.899 305 HA GLU 37 HA GLU 37 1.771 1.643 7.896 306 HB2 GLU 37 2HB GLU 37 1.426 1.194 10.300 307 HB3 GLU 37 1HB GLU 37 2.549 -0.167 10.182 308 HG2 GLU 37 2HG GLU 37 4.341 1.326 9.484 309 HG3 GLU 37 1HG GLU 37 3.233 2.694 9.475 310 H GLN 38 H GLN 38 2.881 -1.673 8.460 311 HA GLN 38 HA GLN 38 5.470 -1.335 7.479 312 HB2 GLN 38 2HB GLN 38 4.819 -3.258 8.773 313 HB3 GLN 38 1HB GLN 38 3.710 -3.784 7.508 314 HG2 GLN 38 2HG GLN 38 5.559 -4.104 5.963 315 HG3 GLN 38 1HG GLN 38 6.695 -3.438 7.136 316 HE21 GLN 38 1HE2 GLN 38 4.885 -6.305 6.240 317 HE22 GLN 38 2HE2 GLN 38 5.508 -7.311 7.455 318 H ILE 39 H ILE 39 2.470 -2.238 5.780 319 HA ILE 39 HA ILE 39 3.655 -2.802 3.289 320 HB ILE 39 HB ILE 39 0.876 -1.810 3.944 321 HG12 ILE 39 2HG1 ILE 39 1.814 -4.565 3.146 322 HG13 ILE 39 1HG1 ILE 39 1.800 -4.065 4.830 323 HG21 ILE 39 1HG2 ILE 39 2.087 -2.964 1.397 324 HG22 ILE 39 2HG2 ILE 39 1.359 -1.362 1.585 325 HG23 ILE 39 3HG2 ILE 39 0.349 -2.808 1.676 326 HD11 ILE 39 1HD1 ILE 39 -0.546 -4.323 2.944 327 HD12 ILE 39 2HD1 ILE 39 -0.664 -3.412 4.445 328 HD13 ILE 39 3HD1 ILE 39 -0.304 -5.135 4.491 329 H LYS 40 H LYS 40 2.331 0.334 4.583 330 HA LYS 40 HA LYS 40 2.887 1.646 2.104 331 HB2 LYS 40 2HB LYS 40 2.815 3.812 3.247 332 HB3 LYS 40 1HB LYS 40 1.362 2.813 3.549 333 HG2 LYS 40 2HG LYS 40 2.112 2.258 5.747 334 HG3 LYS 40 1HG LYS 40 3.708 2.947 5.462 335 HD2 LYS 40 2HD LYS 40 2.632 5.173 5.113 336 HD3 LYS 40 1HD LYS 40 1.081 4.454 5.536 337 HE2 LYS 40 2HE LYS 40 1.882 3.917 7.764 338 HE3 LYS 40 1HE LYS 40 3.502 4.478 7.352 339 HZ1 LYS 40 1HZ LYS 40 2.911 6.559 7.752 340 HZ2 LYS 40 2HZ LYS 40 1.444 5.981 8.374 341 HZ3 LYS 40 3HZ LYS 40 1.556 6.440 6.740 342 H GLU 41 H GLU 41 4.735 1.054 5.033 343 HA GLU 41 HA GLU 41 6.857 2.804 4.583 344 HB2 GLU 41 2HB GLU 41 6.603 1.505 6.658 345 HB3 GLU 41 1HB GLU 41 6.980 0.027 5.775 346 HG2 GLU 41 2HG GLU 41 9.207 0.909 5.214 347 HG3 GLU 41 1HG GLU 41 8.827 2.422 6.042 348 H TRP 42 H TRP 42 6.405 -0.577 3.482 349 HA TRP 42 HA TRP 42 8.844 -0.720 2.044 350 HB2 TRP 42 2HB TRP 42 6.216 -2.112 1.462 351 HB3 TRP 42 1HB TRP 42 7.757 -2.515 0.722 352 HD1 TRP 42 HD TRP 42 9.464 -2.274 3.552 353 HE1 TRP 42 1HE TRP 42 9.246 -4.255 5.184 354 HE3 TRP 42 3HE TRP 42 5.075 -4.299 1.907 355 HZ2 TRP 42 2HZ TRP 42 7.458 -6.421 5.712 356 HZ3 TRP 42 3HZ TRP 42 4.137 -6.322 2.991 357 HH2 TRP 42 HH TRP 42 5.325 -7.385 4.889 358 H ILE 43 H ILE 43 5.600 0.274 1.083 359 HA ILE 43 HA ILE 43 6.150 0.663 -1.658 360 HB ILE 43 HB ILE 43 4.091 1.927 0.165 361 HG12 ILE 43 2HG1 ILE 43 3.785 -0.162 -2.006 362 HG13 ILE 43 1HG1 ILE 43 4.024 -0.574 -0.309 363 HG21 ILE 43 1HG2 ILE 43 4.528 2.138 -2.814 364 HG22 ILE 43 2HG2 ILE 43 4.276 3.445 -1.655 365 HG23 ILE 43 3HG2 ILE 43 2.937 2.375 -2.087 366 HD11 ILE 43 1HD1 ILE 43 1.783 1.223 -1.281 367 HD12 ILE 43 2HD1 ILE 43 1.968 0.526 0.328 368 HD13 ILE 43 3HD1 ILE 43 1.599 -0.515 -1.048 369 H GLU 44 H GLU 44 6.258 3.033 1.015 370 HA GLU 44 HA GLU 44 6.936 5.119 -0.735 371 HB2 GLU 44 2HB GLU 44 7.240 6.509 1.181 372 HB3 GLU 44 1HB GLU 44 5.802 5.500 1.429 373 HG2 GLU 44 2HG GLU 44 6.657 4.666 3.334 374 HG3 GLU 44 1HG GLU 44 8.101 4.100 2.502 375 H ASN 45 H ASN 45 8.912 2.808 1.093 376 HA ASN 45 HA ASN 45 11.376 4.114 0.650 377 HB2 ASN 45 2HB ASN 45 11.152 2.309 2.273 378 HB3 ASN 45 1HB ASN 45 10.749 1.169 0.989 379 HD21 ASN 45 1HD2 ASN 45 13.004 0.636 2.603 380 HD22 ASN 45 2HD2 ASN 45 14.414 0.867 1.686 381 H ALA 46 H ALA 46 9.563 1.717 -1.274 382 HA ALA 46 HA ALA 46 11.532 1.366 -3.280 383 HB1 ALA 46 1HB ALA 46 8.520 1.078 -3.385 384 HB2 ALA 46 2HB ALA 46 9.688 -0.201 -3.048 385 HB3 ALA 46 3HB ALA 46 9.621 0.534 -4.652 386 H LEU 47 H LEU 47 8.815 3.593 -2.928 387 HA LEU 47 HA LEU 47 8.903 4.800 -5.446 388 HB2 LEU 47 2HB LEU 47 7.204 5.032 -3.463 389 HB3 LEU 47 1HB LEU 47 8.252 6.348 -2.949 390 HG LEU 47 HG LEU 47 7.087 6.149 -5.744 391 HD11 LEU 47 1HD1 LEU 47 5.219 6.413 -4.283 392 HD12 LEU 47 2HD1 LEU 47 5.578 8.019 -4.917 393 HD13 LEU 47 3HD1 LEU 47 6.079 7.581 -3.283 394 HD21 LEU 47 1HD2 LEU 47 8.866 7.629 -5.935 395 HD22 LEU 47 2HD2 LEU 47 8.762 8.146 -4.256 396 HD23 LEU 47 3HD2 LEU 47 7.601 8.746 -5.440 397 H GLY 48 H GLY 48 10.571 5.649 -2.402 398 HA2 GLY 48 2HA GLY 48 11.881 7.952 -3.374 399 HA3 GLY 48 1HA GLY 48 12.393 6.987 -1.992 400 H TRP 49 H TRP 49 12.828 4.541 -3.268 401 HA TRP 49 HA TRP 49 14.615 4.896 -5.509 402 HB2 TRP 49 2HB TRP 49 16.098 5.628 -3.727 403 HB3 TRP 49 1HB TRP 49 15.731 4.179 -2.788 404 HD1 TRP 49 HD TRP 49 17.300 2.197 -3.150 405 HE1 TRP 49 1HE TRP 49 19.039 1.524 -4.932 406 HE3 TRP 49 3HE TRP 49 16.610 5.971 -6.517 407 HZ2 TRP 49 2HZ TRP 49 19.995 2.459 -7.467 408 HZ3 TRP 49 3HZ TRP 49 17.939 6.054 -8.607 409 HH2 TRP 49 HH TRP 49 19.630 4.306 -9.085 410 H ARG 50 H ARG 50 14.480 3.099 -6.715 411 HA ARG 50 HA ARG 50 13.422 0.645 -5.467 412 HB2 ARG 50 2HB ARG 50 12.217 1.595 -7.419 413 HB3 ARG 50 1HB ARG 50 13.674 1.378 -8.391 414 HG2 ARG 50 2HG ARG 50 13.615 -1.045 -7.954 415 HG3 ARG 50 1HG ARG 50 12.164 -0.836 -6.972 416 HD2 ARG 50 2HD ARG 50 12.360 -0.034 -9.887 417 HD3 ARG 50 1HD ARG 50 11.694 -1.567 -9.335 418 HE ARG 50 HE ARG 50 10.377 0.518 -7.974 419 HH11 ARG 50 1HH1 ARG 50 8.297 1.116 -8.663 420 HH12 ARG 50 2HH1 ARG 50 7.784 0.740 -10.274 421 HH21 ARG 50 1HH2 ARG 50 10.770 -0.771 -11.164 422 HH22 ARG 50 2HH2 ARG 50 9.182 -0.326 -11.688 Start of MODEL 11 1 H FME 1 H FME 1 -11.786 -4.933 1.501 2 HCN FME 1 HF FME 1 -11.271 -4.449 3.727 3 HA FME 1 HA FME 1 -9.324 -3.914 0.600 4 HB2 FME 1 1HB FME 1 -11.924 -3.915 -0.938 5 HB3 FME 1 2HB FME 1 -10.920 -5.347 -0.714 6 HG2 FME 1 1HG FME 1 -9.822 -2.773 -1.859 7 HG3 FME 1 2HG FME 1 -10.542 -4.024 -2.873 8 HE1 FME 1 1HE FME 1 -8.211 -3.461 -3.895 9 HE2 FME 1 2HE FME 1 -8.610 -5.137 -4.264 10 HE3 FME 1 3HE FME 1 -6.974 -4.718 -3.761 11 H ALA 2 H ALA 2 -12.538 -2.363 0.736 12 HA ALA 2 HA ALA 2 -11.691 0.136 -0.240 13 HB1 ALA 2 1HB ALA 2 -13.786 0.988 0.496 14 HB2 ALA 2 2HB ALA 2 -13.935 -0.255 1.737 15 HB3 ALA 2 3HB ALA 2 -14.086 -0.690 0.034 16 H GLY 3 H GLY 3 -11.886 -1.146 3.069 17 HA2 GLY 3 2HA GLY 3 -11.248 1.246 4.420 18 HA3 GLY 3 1HA GLY 3 -10.990 -0.375 5.048 19 H LEU 4 H LEU 4 -9.251 -1.357 3.163 20 HA LEU 4 HA LEU 4 -6.767 -0.525 4.121 21 HB2 LEU 4 2HB LEU 4 -7.306 -2.751 3.172 22 HB3 LEU 4 1HB LEU 4 -7.501 -2.030 1.588 23 HG LEU 4 HG LEU 4 -5.272 -3.255 2.219 24 HD11 LEU 4 1HD1 LEU 4 -4.067 -1.964 0.623 25 HD12 LEU 4 2HD1 LEU 4 -5.025 -0.529 0.952 26 HD13 LEU 4 3HD1 LEU 4 -5.756 -1.902 0.136 27 HD21 LEU 4 1HD2 LEU 4 -4.961 -1.891 4.315 28 HD22 LEU 4 2HD2 LEU 4 -4.624 -0.501 3.288 29 HD23 LEU 4 3HD2 LEU 4 -3.572 -1.910 3.237 30 H LEU 5 H LEU 5 -8.419 0.194 1.062 31 HA LEU 5 HA LEU 5 -6.364 1.769 -0.083 32 HB2 LEU 5 2HB LEU 5 -9.356 1.777 -0.501 33 HB3 LEU 5 1HB LEU 5 -8.222 2.682 -1.496 34 HG LEU 5 HG LEU 5 -8.065 -0.313 -1.085 35 HD11 LEU 5 1HD1 LEU 5 -9.415 1.343 -3.217 36 HD12 LEU 5 2HD1 LEU 5 -10.112 0.048 -2.243 37 HD13 LEU 5 3HD1 LEU 5 -8.929 -0.328 -3.497 38 HD21 LEU 5 1HD2 LEU 5 -6.593 1.706 -2.759 39 HD22 LEU 5 2HD2 LEU 5 -6.775 0.061 -3.364 40 HD23 LEU 5 3HD2 LEU 5 -5.951 0.352 -1.832 41 H ARG 6 H ARG 6 -9.199 2.608 1.907 42 HA ARG 6 HA ARG 6 -8.925 5.394 1.822 43 HB2 ARG 6 2HB ARG 6 -10.874 4.133 2.782 44 HB3 ARG 6 1HB ARG 6 -9.872 3.755 4.183 45 HG2 ARG 6 2HG ARG 6 -9.503 6.439 4.118 46 HG3 ARG 6 1HG ARG 6 -11.087 6.357 3.350 47 HD2 ARG 6 2HD ARG 6 -11.892 4.984 5.279 48 HD3 ARG 6 1HD ARG 6 -10.325 5.228 6.053 49 HE ARG 6 HE ARG 6 -11.596 7.694 5.283 50 HH11 ARG 6 1HH1 ARG 6 -12.273 9.017 6.981 51 HH12 ARG 6 2HH1 ARG 6 -12.411 8.374 8.582 52 HH21 ARG 6 1HH2 ARG 6 -11.389 5.184 7.660 53 HH22 ARG 6 2HH2 ARG 6 -11.910 6.193 8.966 54 H PHE 7 H PHE 7 -7.571 3.002 4.053 55 HA PHE 7 HA PHE 7 -6.317 4.763 5.822 56 HB2 PHE 7 2HB PHE 7 -6.612 2.327 6.199 57 HB3 PHE 7 1HB PHE 7 -5.406 2.005 4.955 58 HD1 PHE 7 1HD PHE 7 -3.121 1.933 5.502 59 HD2 PHE 7 2HD PHE 7 -5.888 3.829 8.187 60 HE1 PHE 7 1HE PHE 7 -1.319 2.175 7.190 61 HE2 PHE 7 2HE PHE 7 -4.086 4.072 9.873 62 HZ PHE 7 HZ PHE 7 -1.801 3.244 9.374 63 H LEU 8 H LEU 8 -5.083 3.201 2.855 64 HA LEU 8 HA LEU 8 -2.486 4.278 3.083 65 HB2 LEU 8 2HB LEU 8 -4.031 3.323 0.675 66 HB3 LEU 8 1HB LEU 8 -2.360 3.863 0.572 67 HG LEU 8 HG LEU 8 -3.166 1.707 2.538 68 HD11 LEU 8 1HD1 LEU 8 -2.064 1.137 -0.225 69 HD12 LEU 8 2HD1 LEU 8 -3.799 1.163 0.068 70 HD13 LEU 8 3HD1 LEU 8 -2.782 0.001 0.917 71 HD21 LEU 8 1HD2 LEU 8 -0.801 3.057 2.249 72 HD22 LEU 8 2HD2 LEU 8 -0.512 1.694 1.184 73 HD23 LEU 8 3HD2 LEU 8 -0.930 1.421 2.872 74 H LEU 9 H LEU 9 -5.391 5.471 1.477 75 HA LEU 9 HA LEU 9 -4.216 7.705 0.225 76 HB2 LEU 9 2HB LEU 9 -6.602 6.603 0.014 77 HB3 LEU 9 1HB LEU 9 -7.024 7.782 1.261 78 HG LEU 9 HG LEU 9 -5.681 8.463 -1.367 79 HD11 LEU 9 1HD1 LEU 9 -7.959 7.604 -1.688 80 HD12 LEU 9 2HD1 LEU 9 -7.897 9.336 -2.014 81 HD13 LEU 9 3HD1 LEU 9 -8.569 8.748 -0.492 82 HD21 LEU 9 1HD2 LEU 9 -6.517 10.018 1.056 83 HD22 LEU 9 2HD2 LEU 9 -6.751 10.774 -0.521 84 HD23 LEU 9 3HD2 LEU 9 -5.141 10.262 -0.019 85 H SER 10 H SER 10 -5.741 7.346 3.419 86 HA SER 10 HA SER 10 -5.585 10.051 4.165 87 HB2 SER 10 2HB SER 10 -5.810 9.210 6.473 88 HB3 SER 10 1HB SER 10 -6.952 8.437 5.375 89 HG SER 10 HG SER 10 -5.082 6.838 5.167 90 H LYS 11 H LYS 11 -3.266 7.370 4.534 91 HA LYS 11 HA LYS 11 -1.405 8.931 6.055 92 HB2 LYS 11 2HB LYS 11 -1.041 6.388 4.450 93 HB3 LYS 11 1HB LYS 11 0.185 7.072 5.517 94 HG2 LYS 11 2HG LYS 11 -2.607 6.275 6.410 95 HG3 LYS 11 1HG LYS 11 -1.181 5.259 6.599 96 HD2 LYS 11 2HD LYS 11 -0.167 7.359 7.806 97 HD3 LYS 11 1HD LYS 11 -1.853 7.845 7.986 98 HE2 LYS 11 2HE LYS 11 -2.382 5.706 9.067 99 HE3 LYS 11 1HE LYS 11 -0.703 5.198 8.890 100 HZ1 LYS 11 1HZ LYS 11 -0.468 6.101 10.908 101 HZ2 LYS 11 2HZ LYS 11 -1.888 7.025 10.785 102 HZ3 LYS 11 3HZ LYS 11 -0.443 7.586 10.089 103 H GLY 12 H GLY 12 -1.658 8.160 2.600 104 HA2 GLY 12 2HA GLY 12 -0.310 10.580 1.866 105 HA3 GLY 12 1HA GLY 12 0.701 9.161 1.611 106 H ARG 13 H ARG 13 -0.064 10.764 -0.507 107 HA ARG 13 HA ARG 13 -2.334 9.517 -1.855 108 HB2 ARG 13 2HB ARG 13 -0.404 11.694 -2.702 109 HB3 ARG 13 1HB ARG 13 -1.730 11.102 -3.704 110 HG2 ARG 13 2HG ARG 13 -3.349 11.736 -1.971 111 HG3 ARG 13 1HG ARG 13 -2.039 12.296 -0.934 112 HD2 ARG 13 2HD ARG 13 -2.594 13.408 -3.697 113 HD3 ARG 13 1HD ARG 13 -3.185 14.137 -2.208 114 HE ARG 13 HE ARG 13 -0.408 13.803 -1.954 115 HH11 ARG 13 1HH1 ARG 13 0.957 15.588 -2.281 116 HH12 ARG 13 2HH1 ARG 13 0.404 16.930 -3.227 117 HH21 ARG 13 1HH2 ARG 13 -2.708 15.551 -3.870 118 HH22 ARG 13 2HH2 ARG 13 -1.662 16.906 -4.136 119 H ALA 14 H ALA 14 1.160 9.493 -1.904 120 HA ALA 14 HA ALA 14 1.534 8.204 -4.381 121 HB1 ALA 14 1HB ALA 14 3.351 7.661 -2.061 122 HB2 ALA 14 2HB ALA 14 3.245 9.296 -2.710 123 HB3 ALA 14 3HB ALA 14 3.750 7.967 -3.751 124 H LEU 15 H LEU 15 1.033 6.933 -1.099 125 HA LEU 15 HA LEU 15 1.446 4.219 -1.681 126 HB2 LEU 15 2HB LEU 15 -0.503 5.381 0.328 127 HB3 LEU 15 1HB LEU 15 0.278 3.802 0.392 128 HG LEU 15 HG LEU 15 1.777 6.429 0.413 129 HD11 LEU 15 1HD1 LEU 15 0.832 4.641 2.651 130 HD12 LEU 15 2HD1 LEU 15 0.572 6.371 2.453 131 HD13 LEU 15 3HD1 LEU 15 2.179 5.764 2.849 132 HD21 LEU 15 1HD2 LEU 15 3.261 4.802 -0.358 133 HD22 LEU 15 2HD2 LEU 15 2.530 3.518 0.602 134 HD23 LEU 15 3HD2 LEU 15 3.532 4.743 1.378 135 H TYR 16 H TYR 16 -1.449 6.245 -1.799 136 HA TYR 16 HA TYR 16 -3.322 4.228 -2.416 137 HB2 TYR 16 2HB TYR 16 -3.991 6.418 -1.632 138 HB3 TYR 16 1HB TYR 16 -3.290 7.186 -3.051 139 HD1 TYR 16 1HD TYR 16 -4.734 7.724 -4.795 140 HD2 TYR 16 2HD TYR 16 -5.710 4.442 -2.202 141 HE1 TYR 16 1HE TYR 16 -6.889 7.418 -5.989 142 HE2 TYR 16 2HE TYR 16 -7.861 4.140 -3.389 143 HH TYR 16 HH TYR 16 -9.197 6.416 -5.379 144 H ASN 17 H ASN 17 -1.392 6.375 -4.491 145 HA ASN 17 HA ASN 17 -2.437 5.536 -6.966 146 HB2 ASN 17 2HB ASN 17 0.225 6.699 -6.155 147 HB3 ASN 17 1HB ASN 17 -0.141 6.303 -7.831 148 HD21 ASN 17 1HD2 ASN 17 0.319 8.993 -7.062 149 HD22 ASN 17 2HD2 ASN 17 -1.136 9.857 -7.182 150 H TRP 18 H TRP 18 0.301 4.339 -5.046 151 HA TRP 18 HA TRP 18 1.252 2.397 -6.829 152 HB2 TRP 18 2HB TRP 18 2.567 3.020 -4.920 153 HB3 TRP 18 1HB TRP 18 1.290 2.525 -3.813 154 HD1 TRP 18 HD TRP 18 1.127 -0.001 -3.179 155 HE1 TRP 18 1HE TRP 18 2.549 -2.079 -3.750 156 HE3 TRP 18 3HE TRP 18 4.059 1.930 -6.881 157 HZ2 TRP 18 2HZ TRP 18 4.662 -2.819 -5.547 158 HZ3 TRP 18 3HZ TRP 18 5.764 0.528 -8.004 159 HH2 TRP 18 HH TRP 18 6.071 -1.841 -7.344 160 H ALA 19 H ALA 19 -1.159 2.118 -4.208 161 HA ALA 19 HA ALA 19 -1.642 -0.644 -4.466 162 HB1 ALA 19 1HB ALA 19 -3.905 -0.004 -3.422 163 HB2 ALA 19 2HB ALA 19 -3.283 1.645 -3.407 164 HB3 ALA 19 3HB ALA 19 -2.450 0.380 -2.503 165 H LYS 20 H LYS 20 -3.183 2.154 -6.000 166 HA LYS 20 HA LYS 20 -5.197 0.713 -7.365 167 HB2 LYS 20 2HB LYS 20 -5.233 3.172 -7.042 168 HB3 LYS 20 1HB LYS 20 -3.894 3.322 -8.183 169 HG2 LYS 20 2HG LYS 20 -5.264 2.273 -9.943 170 HG3 LYS 20 1HG LYS 20 -6.598 2.097 -8.805 171 HD2 LYS 20 2HD LYS 20 -6.696 4.556 -8.537 172 HD3 LYS 20 1HD LYS 20 -5.372 4.730 -9.688 173 HE2 LYS 20 2HE LYS 20 -6.738 3.652 -11.438 174 HE3 LYS 20 1HE LYS 20 -8.061 3.454 -10.290 175 HZ1 LYS 20 1HZ LYS 20 -7.447 6.093 -10.105 176 HZ2 LYS 20 2HZ LYS 20 -8.732 5.438 -11.003 177 HZ3 LYS 20 3HZ LYS 20 -7.250 5.781 -11.761 178 H SER 21 H SER 21 -1.941 1.745 -8.347 179 HA SER 21 HA SER 21 -2.038 0.859 -11.011 180 HB2 SER 21 2HB SER 21 0.338 1.047 -9.148 181 HB3 SER 21 1HB SER 21 0.420 0.923 -10.903 182 HG SER 21 HG SER 21 0.532 3.095 -10.161 183 H HIS 22 H HIS 22 -1.044 -0.842 -8.033 184 HA HIS 22 HA HIS 22 -1.151 -3.376 -9.566 185 HB2 HIS 22 2HB HIS 22 0.768 -2.804 -7.312 186 HB3 HIS 22 1HB HIS 22 0.745 -4.209 -8.375 187 HD1 HIS 22 1HD HIS 22 1.825 -0.654 -8.190 188 HD2 HIS 22 2HD HIS 22 1.688 -3.674 -11.063 189 HE1 HIS 22 1HE HIS 22 3.282 0.118 -10.110 190 HE2 HIS 22 2HE HIS 22 3.212 -1.707 -11.872 191 H VAL 23 H VAL 23 -3.271 -3.693 -8.842 192 HA VAL 23 HA VAL 23 -4.046 -3.678 -6.117 193 HB VAL 23 HB VAL 23 -5.982 -5.002 -6.897 194 HG11 VAL 23 1HG1 VAL 23 -5.069 -2.633 -8.527 195 HG12 VAL 23 2HG1 VAL 23 -6.231 -2.662 -7.200 196 HG13 VAL 23 3HG1 VAL 23 -6.658 -3.359 -8.763 197 HG21 VAL 23 1HG2 VAL 23 -4.477 -5.029 -9.529 198 HG22 VAL 23 2HG2 VAL 23 -6.119 -5.624 -9.286 199 HG23 VAL 23 3HG2 VAL 23 -4.761 -6.433 -8.501 200 H GLY 24 H GLY 24 -2.318 -5.881 -8.113 201 HA2 GLY 24 2HA GLY 24 -2.762 -8.295 -6.709 202 HA3 GLY 24 1HA GLY 24 -1.358 -7.933 -7.713 203 H LYS 25 H LYS 25 -0.406 -5.660 -6.279 204 HA LYS 25 HA LYS 25 1.174 -6.893 -4.296 205 HB2 LYS 25 2HB LYS 25 0.568 -3.959 -4.746 206 HB3 LYS 25 1HB LYS 25 1.846 -4.564 -3.696 207 HG2 LYS 25 2HG LYS 25 1.714 -5.355 -6.611 208 HG3 LYS 25 1HG LYS 25 2.497 -3.859 -6.107 209 HD2 LYS 25 2HD LYS 25 3.992 -5.149 -4.604 210 HD3 LYS 25 1HD LYS 25 3.241 -6.646 -5.134 211 HE2 LYS 25 2HE LYS 25 3.967 -6.236 -7.438 212 HE3 LYS 25 1HE LYS 25 4.702 -4.709 -6.945 213 HZ1 LYS 25 1HZ LYS 25 5.496 -7.458 -6.175 214 HZ2 LYS 25 2HZ LYS 25 6.011 -6.097 -5.297 215 HZ3 LYS 25 3HZ LYS 25 6.436 -6.267 -6.934 216 H VAL 26 H VAL 26 -1.744 -4.958 -4.116 217 HA VAL 26 HA VAL 26 -1.900 -4.692 -1.327 218 HB VAL 26 HB VAL 26 -4.041 -4.755 -3.439 219 HG11 VAL 26 1HG1 VAL 26 -4.121 -4.302 -0.461 220 HG12 VAL 26 2HG1 VAL 26 -5.191 -5.293 -1.453 221 HG13 VAL 26 3HG1 VAL 26 -5.305 -3.531 -1.517 222 HG21 VAL 26 1HG2 VAL 26 -2.661 -2.531 -1.900 223 HG22 VAL 26 2HG2 VAL 26 -4.006 -2.297 -3.015 224 HG23 VAL 26 3HG2 VAL 26 -2.457 -2.889 -3.615 225 H TRP 27 H TRP 27 -3.243 -7.063 -3.539 226 HA TRP 27 HA TRP 27 -4.592 -8.639 -1.613 227 HB2 TRP 27 2HB TRP 27 -3.492 -9.252 -4.351 228 HB3 TRP 27 1HB TRP 27 -4.321 -10.472 -3.383 229 HD1 TRP 27 HD TRP 27 -5.030 -8.007 -5.933 230 HE1 TRP 27 1HE TRP 27 -7.522 -7.341 -5.956 231 HE3 TRP 27 3HE TRP 27 -6.487 -9.927 -1.440 232 HZ2 TRP 27 2HZ TRP 27 -9.838 -7.597 -4.279 233 HZ3 TRP 27 3HZ TRP 27 -8.833 -9.713 -0.675 234 HH2 TRP 27 HH TRP 27 -10.507 -8.552 -2.088 235 H GLU 28 H GLU 28 -1.315 -8.868 -2.966 236 HA GLU 28 HA GLU 28 -0.545 -11.252 -1.742 237 HB2 GLU 28 2HB GLU 28 0.756 -10.118 -3.521 238 HB3 GLU 28 1HB GLU 28 1.221 -8.872 -2.364 239 HG2 GLU 28 2HG GLU 28 2.322 -10.545 -0.954 240 HG3 GLU 28 1HG GLU 28 1.800 -11.831 -2.042 241 H TRP 29 H TRP 29 -0.224 -7.874 -0.514 242 HA TRP 29 HA TRP 29 1.103 -8.731 1.865 243 HB2 TRP 29 2HB TRP 29 -0.622 -6.288 1.787 244 HB3 TRP 29 1HB TRP 29 0.846 -6.578 2.698 245 HD1 TRP 29 HD TRP 29 -0.177 -4.486 0.093 246 HE1 TRP 29 1HE TRP 29 1.684 -3.914 -1.588 247 HE3 TRP 29 3HE TRP 29 3.202 -8.121 1.267 248 HZ2 TRP 29 2HZ TRP 29 4.282 -4.861 -2.315 249 HZ3 TRP 29 3HZ TRP 29 5.354 -8.244 0.087 250 HH2 TRP 29 HH TRP 29 5.908 -6.630 -1.706 251 H LEU 30 H LEU 30 -2.314 -8.245 1.058 252 HA LEU 30 HA LEU 30 -3.285 -8.535 3.704 253 HB2 LEU 30 2HB LEU 30 -4.622 -9.075 1.050 254 HB3 LEU 30 1HB LEU 30 -5.460 -9.153 2.601 255 HG LEU 30 HG LEU 30 -3.932 -6.727 1.618 256 HD11 LEU 30 1HD1 LEU 30 -5.793 -6.901 0.165 257 HD12 LEU 30 2HD1 LEU 30 -6.327 -5.797 1.432 258 HD13 LEU 30 3HD1 LEU 30 -6.849 -7.480 1.454 259 HD21 LEU 30 1HD2 LEU 30 -5.634 -5.783 3.489 260 HD22 LEU 30 2HD2 LEU 30 -4.035 -6.389 3.905 261 HD23 LEU 30 3HD2 LEU 30 -5.448 -7.426 4.106 262 H LYS 31 H LYS 31 -2.668 -10.936 1.173 263 HA LYS 31 HA LYS 31 -3.677 -13.178 2.562 264 HB2 LYS 31 2HB LYS 31 -3.103 -13.133 0.126 265 HB3 LYS 31 1HB LYS 31 -1.396 -13.085 0.564 266 HG2 LYS 31 2HG LYS 31 -1.640 -15.239 1.751 267 HG3 LYS 31 1HG LYS 31 -3.346 -15.287 1.308 268 HD2 LYS 31 2HD LYS 31 -2.748 -15.309 -1.077 269 HD3 LYS 31 1HD LYS 31 -1.036 -15.229 -0.659 270 HE2 LYS 31 2HE LYS 31 -1.711 -17.551 -1.142 271 HE3 LYS 31 1HE LYS 31 -1.229 -17.378 0.546 272 HZ1 LYS 31 1HZ LYS 31 -3.369 -17.554 1.276 273 HZ2 LYS 31 2HZ LYS 31 -3.441 -18.570 -0.083 274 HZ3 LYS 31 3HZ LYS 31 -4.044 -16.986 -0.170 275 H SER 32 H SER 32 -0.462 -11.681 2.419 276 HA SER 32 HA SER 32 0.923 -13.560 3.988 277 HB2 SER 32 2HB SER 32 2.066 -11.865 2.636 278 HB3 SER 32 1HB SER 32 1.440 -10.599 3.689 279 HG SER 32 HG SER 32 3.637 -11.492 4.122 280 H GLY 33 H GLY 33 -0.838 -10.622 4.885 281 HA2 GLY 33 2HA GLY 33 -2.067 -10.482 6.944 282 HA3 GLY 33 1HA GLY 33 -0.918 -11.599 7.671 283 H ALA 34 H ALA 34 0.861 -9.510 5.848 284 HA ALA 34 HA ALA 34 2.262 -8.323 7.880 285 HB1 ALA 34 1HB ALA 34 2.775 -6.496 6.170 286 HB2 ALA 34 2HB ALA 34 1.670 -7.341 5.085 287 HB3 ALA 34 3HB ALA 34 3.122 -8.151 5.671 288 H THR 35 H THR 35 2.356 -5.795 8.135 289 HA THR 35 HA THR 35 -0.308 -4.974 9.110 290 HB THR 35 HB THR 35 0.895 -3.401 10.517 291 HG1 THR 35 1HG THR 35 3.253 -4.401 9.310 292 HG21 THR 35 1HG2 THR 35 0.703 -5.691 11.352 293 HG22 THR 35 2HG2 THR 35 2.252 -5.000 11.845 294 HG23 THR 35 3HG2 THR 35 2.183 -6.144 10.504 295 H TYR 36 H TYR 36 -1.139 -2.890 8.641 296 HA TYR 36 HA TYR 36 -0.830 -2.033 5.988 297 HB2 TYR 36 2HB TYR 36 -1.867 -0.368 8.293 298 HB3 TYR 36 1HB TYR 36 -2.195 -0.132 6.576 299 HD1 TYR 36 1HD TYR 36 -2.997 -2.473 5.376 300 HD2 TYR 36 2HD TYR 36 -3.548 -1.390 9.487 301 HE1 TYR 36 1HE TYR 36 -4.910 -4.051 5.533 302 HE2 TYR 36 2HE TYR 36 -5.444 -2.967 9.653 303 HH TYR 36 HH TYR 36 -7.134 -3.974 7.979 304 H GLU 37 H GLU 37 0.619 -0.821 8.972 305 HA GLU 37 HA GLU 37 1.895 1.424 7.853 306 HB2 GLU 37 2HB GLU 37 3.498 0.991 9.897 307 HB3 GLU 37 1HB GLU 37 1.842 1.529 10.164 308 HG2 GLU 37 2HG GLU 37 1.115 -0.726 10.648 309 HG3 GLU 37 1HG GLU 37 2.680 -1.389 10.169 310 H GLN 38 H GLN 38 3.167 -1.839 8.504 311 HA GLN 38 HA GLN 38 5.744 -1.368 7.509 312 HB2 GLN 38 2HB GLN 38 5.268 -3.330 8.798 313 HB3 GLN 38 1HB GLN 38 4.088 -3.884 7.616 314 HG2 GLN 38 2HG GLN 38 5.799 -4.236 5.972 315 HG3 GLN 38 1HG GLN 38 7.024 -3.481 6.992 316 HE21 GLN 38 1HE2 GLN 38 5.373 -6.481 6.324 317 HE22 GLN 38 2HE2 GLN 38 6.102 -7.387 7.560 318 H ILE 39 H ILE 39 2.783 -2.418 5.851 319 HA ILE 39 HA ILE 39 3.994 -2.963 3.362 320 HB ILE 39 HB ILE 39 1.152 -2.162 4.021 321 HG12 ILE 39 2HG1 ILE 39 2.239 -4.884 3.304 322 HG13 ILE 39 1HG1 ILE 39 2.280 -4.313 4.970 323 HG21 ILE 39 1HG2 ILE 39 0.669 -3.229 1.805 324 HG22 ILE 39 2HG2 ILE 39 2.403 -3.353 1.513 325 HG23 ILE 39 3HG2 ILE 39 1.638 -1.765 1.635 326 HD11 ILE 39 1HD1 ILE 39 0.217 -5.566 4.636 327 HD12 ILE 39 2HD1 ILE 39 -0.180 -4.586 3.227 328 HD13 ILE 39 3HD1 ILE 39 -0.170 -3.863 4.823 329 H LYS 40 H LYS 40 2.492 0.107 4.602 330 HA LYS 40 HA LYS 40 2.998 1.374 2.082 331 HB2 LYS 40 2HB LYS 40 2.793 3.587 3.194 332 HB3 LYS 40 1HB LYS 40 1.368 2.531 3.371 333 HG2 LYS 40 2HG LYS 40 1.918 1.992 5.625 334 HG3 LYS 40 1HG LYS 40 3.534 2.704 5.483 335 HD2 LYS 40 2HD LYS 40 2.472 4.924 5.070 336 HD3 LYS 40 1HD LYS 40 0.892 4.184 5.320 337 HE2 LYS 40 2HE LYS 40 1.428 3.633 7.607 338 HE3 LYS 40 1HE LYS 40 3.105 4.132 7.386 339 HZ1 LYS 40 1HZ LYS 40 1.893 5.864 8.478 340 HZ2 LYS 40 2HZ LYS 40 0.697 5.862 7.275 341 HZ3 LYS 40 3HZ LYS 40 2.271 6.388 6.911 342 H GLU 41 H GLU 41 4.868 0.939 5.024 343 HA GLU 41 HA GLU 41 6.886 2.772 4.568 344 HB2 GLU 41 2HB GLU 41 6.700 1.432 6.634 345 HB3 GLU 41 1HB GLU 41 7.177 -0.004 5.727 346 HG2 GLU 41 2HG GLU 41 9.310 1.053 5.141 347 HG3 GLU 41 1HG GLU 41 8.837 2.516 5.999 348 H TRP 42 H TRP 42 6.624 -0.619 3.468 349 HA TRP 42 HA TRP 42 9.034 -0.681 1.983 350 HB2 TRP 42 2HB TRP 42 6.416 -2.110 1.448 351 HB3 TRP 42 1HB TRP 42 7.942 -2.498 0.673 352 HD1 TRP 42 HD TRP 42 9.681 -2.221 3.503 353 HE1 TRP 42 1HE TRP 42 9.525 -4.210 5.129 354 HE3 TRP 42 3HE TRP 42 5.342 -4.345 1.880 355 HZ2 TRP 42 2HZ TRP 42 7.792 -6.418 5.674 356 HZ3 TRP 42 3HZ TRP 42 4.448 -6.382 2.968 357 HH2 TRP 42 HH TRP 42 5.668 -7.423 4.861 358 H ILE 43 H ILE 43 5.729 0.178 1.078 359 HA ILE 43 HA ILE 43 6.246 0.596 -1.677 360 HB ILE 43 HB ILE 43 4.123 1.747 0.134 361 HG12 ILE 43 2HG1 ILE 43 3.934 -0.427 -1.969 362 HG13 ILE 43 1HG1 ILE 43 4.215 -0.761 -0.259 363 HG21 ILE 43 1HG2 ILE 43 2.922 2.107 -2.100 364 HG22 ILE 43 2HG2 ILE 43 4.505 1.924 -2.858 365 HG23 ILE 43 3HG2 ILE 43 4.222 3.238 -1.719 366 HD11 ILE 43 1HD1 ILE 43 2.114 0.111 0.379 367 HD12 ILE 43 2HD1 ILE 43 1.763 -0.797 -1.089 368 HD13 ILE 43 3HD1 ILE 43 1.903 0.958 -1.151 369 H GLU 44 H GLU 44 6.241 2.961 1.009 370 HA GLU 44 HA GLU 44 6.752 5.090 -0.750 371 HB2 GLU 44 2HB GLU 44 7.096 6.490 1.176 372 HB3 GLU 44 1HB GLU 44 5.684 5.461 1.438 373 HG2 GLU 44 2HG GLU 44 6.585 4.624 3.325 374 HG3 GLU 44 1HG GLU 44 8.029 4.113 2.465 375 H ASN 45 H ASN 45 8.915 2.886 1.025 376 HA ASN 45 HA ASN 45 11.310 4.316 0.527 377 HB2 ASN 45 2HB ASN 45 11.228 2.465 2.123 378 HB3 ASN 45 1HB ASN 45 10.855 1.340 0.822 379 HD21 ASN 45 1HD2 ASN 45 13.392 3.639 1.905 380 HD22 ASN 45 2HD2 ASN 45 14.675 2.814 1.160 381 H ALA 46 H ALA 46 9.553 1.856 -1.337 382 HA ALA 46 HA ALA 46 11.440 1.604 -3.409 383 HB1 ALA 46 1HB ALA 46 8.448 1.236 -3.614 384 HB2 ALA 46 2HB ALA 46 9.548 0.018 -2.965 385 HB3 ALA 46 3HB ALA 46 9.680 0.517 -4.651 386 H LEU 47 H LEU 47 8.595 3.664 -2.999 387 HA LEU 47 HA LEU 47 8.589 4.900 -5.489 388 HB2 LEU 47 2HB LEU 47 6.956 5.008 -3.415 389 HB3 LEU 47 1HB LEU 47 7.922 6.405 -2.973 390 HG LEU 47 HG LEU 47 6.112 7.294 -4.200 391 HD11 LEU 47 1HD1 LEU 47 8.413 8.048 -4.933 392 HD12 LEU 47 2HD1 LEU 47 7.122 8.318 -6.100 393 HD13 LEU 47 3HD1 LEU 47 8.241 6.979 -6.324 394 HD21 LEU 47 1HD2 LEU 47 5.468 4.990 -5.140 395 HD22 LEU 47 2HD2 LEU 47 6.579 5.343 -6.467 396 HD23 LEU 47 3HD2 LEU 47 5.183 6.379 -6.189 397 H GLY 48 H GLY 48 10.270 5.819 -2.467 398 HA2 GLY 48 2HA GLY 48 11.438 8.204 -3.351 399 HA3 GLY 48 1HA GLY 48 12.062 7.187 -2.056 400 H TRP 49 H TRP 49 12.676 4.849 -3.505 401 HA TRP 49 HA TRP 49 14.217 5.479 -5.833 402 HB2 TRP 49 2HB TRP 49 16.450 5.239 -4.905 403 HB3 TRP 49 1HB TRP 49 15.614 6.598 -4.153 404 HD1 TRP 49 HD TRP 49 14.689 6.239 -1.650 405 HE1 TRP 49 1HE TRP 49 15.460 4.646 0.225 406 HE3 TRP 49 3HE TRP 49 17.442 2.926 -4.388 407 HZ2 TRP 49 2HZ TRP 49 17.038 2.276 0.522 408 HZ3 TRP 49 3HZ TRP 49 18.567 1.012 -3.288 409 HH2 TRP 49 HH TRP 49 18.369 0.685 -0.837 410 H ARG 50 H ARG 50 14.629 3.271 -3.035 411 HA ARG 50 HA ARG 50 15.616 1.080 -4.237 412 HB2 ARG 50 2HB ARG 50 15.012 1.176 -1.844 413 HB3 ARG 50 1HB ARG 50 13.314 0.993 -2.270 414 HG2 ARG 50 2HG ARG 50 13.805 -1.184 -3.328 415 HG3 ARG 50 1HG ARG 50 15.510 -1.000 -2.909 416 HD2 ARG 50 2HD ARG 50 14.860 -0.876 -0.505 417 HD3 ARG 50 1HD ARG 50 13.187 -1.171 -0.967 418 HE ARG 50 HE ARG 50 13.738 -3.408 -1.390 419 HH11 ARG 50 1HH1 ARG 50 15.131 -5.181 -1.102 420 HH12 ARG 50 2HH1 ARG 50 16.812 -4.911 -0.781 421 HH21 ARG 50 1HH2 ARG 50 16.539 -1.450 -0.886 422 HH22 ARG 50 2HH2 ARG 50 17.611 -2.791 -0.663 Start of MODEL 12 1 H FME 1 H FME 1 -12.187 -3.763 1.912 2 HCN FME 1 HF FME 1 -11.842 -5.947 2.667 3 HA FME 1 HA FME 1 -9.510 -3.836 0.841 4 HB2 FME 1 1HB FME 1 -11.797 -3.690 -1.136 5 HB3 FME 1 2HB FME 1 -10.859 -5.154 -0.837 6 HG2 FME 1 1HG FME 1 -9.387 -2.609 -1.444 7 HG3 FME 1 2HG FME 1 -10.165 -3.472 -2.771 8 HE1 FME 1 1HE FME 1 -7.631 -3.513 -3.719 9 HE2 FME 1 2HE FME 1 -8.792 -4.757 -4.172 10 HE3 FME 1 3HE FME 1 -7.129 -5.207 -3.802 11 H ALA 2 H ALA 2 -12.676 -2.287 0.934 12 HA ALA 2 HA ALA 2 -11.892 0.265 0.030 13 HB1 ALA 2 1HB ALA 2 -13.963 1.046 1.180 14 HB2 ALA 2 2HB ALA 2 -14.127 -0.555 1.902 15 HB3 ALA 2 3HB ALA 2 -14.238 -0.366 0.155 16 H GLY 3 H GLY 3 -11.992 -1.159 3.284 17 HA2 GLY 3 2HA GLY 3 -11.329 1.173 4.734 18 HA3 GLY 3 1HA GLY 3 -11.070 -0.476 5.284 19 H LEU 4 H LEU 4 -9.358 -1.364 3.258 20 HA LEU 4 HA LEU 4 -6.834 -0.534 4.193 21 HB2 LEU 4 2HB LEU 4 -7.297 -2.726 3.120 22 HB3 LEU 4 1HB LEU 4 -7.539 -1.897 1.581 23 HG LEU 4 HG LEU 4 -5.083 -0.905 2.243 24 HD11 LEU 4 1HD1 LEU 4 -3.723 -2.494 3.343 25 HD12 LEU 4 2HD1 LEU 4 -4.967 -3.739 3.265 26 HD13 LEU 4 3HD1 LEU 4 -5.172 -2.354 4.338 27 HD21 LEU 4 1HD2 LEU 4 -5.672 -3.558 0.890 28 HD22 LEU 4 2HD2 LEU 4 -4.133 -2.698 0.785 29 HD23 LEU 4 3HD2 LEU 4 -5.590 -1.978 0.118 30 H LEU 5 H LEU 5 -8.663 0.298 1.250 31 HA LEU 5 HA LEU 5 -6.681 1.911 0.061 32 HB2 LEU 5 2HB LEU 5 -9.700 1.950 -0.150 33 HB3 LEU 5 1HB LEU 5 -8.638 2.921 -1.170 34 HG LEU 5 HG LEU 5 -8.470 -0.097 -0.928 35 HD11 LEU 5 1HD1 LEU 5 -9.393 0.043 -3.324 36 HD12 LEU 5 2HD1 LEU 5 -9.865 1.694 -2.921 37 HD13 LEU 5 3HD1 LEU 5 -10.539 0.341 -2.015 38 HD21 LEU 5 1HD2 LEU 5 -6.922 2.005 -2.390 39 HD22 LEU 5 2HD2 LEU 5 -7.243 0.507 -3.259 40 HD23 LEU 5 3HD2 LEU 5 -6.376 0.469 -1.723 41 H ARG 6 H ARG 6 -9.351 2.715 2.275 42 HA ARG 6 HA ARG 6 -9.005 5.500 2.304 43 HB2 ARG 6 2HB ARG 6 -10.937 4.262 3.304 44 HB3 ARG 6 1HB ARG 6 -9.873 3.735 4.606 45 HG2 ARG 6 2HG ARG 6 -9.407 6.407 4.716 46 HG3 ARG 6 1HG ARG 6 -11.038 6.431 4.068 47 HD2 ARG 6 2HD ARG 6 -11.753 4.936 5.941 48 HD3 ARG 6 1HD ARG 6 -10.133 5.070 6.611 49 HE ARG 6 HE ARG 6 -11.353 7.635 6.130 50 HH11 ARG 6 1HH1 ARG 6 -11.904 8.831 7.978 51 HH12 ARG 6 2HH1 ARG 6 -11.976 8.048 9.523 52 HH21 ARG 6 1HH2 ARG 6 -11.095 4.929 8.265 53 HH22 ARG 6 2HH2 ARG 6 -11.513 5.829 9.687 54 H PHE 7 H PHE 7 -7.595 2.951 4.321 55 HA PHE 7 HA PHE 7 -6.162 4.594 6.079 56 HB2 PHE 7 2HB PHE 7 -6.587 2.113 6.291 57 HB3 PHE 7 1HB PHE 7 -5.324 1.858 5.094 58 HD1 PHE 7 1HD PHE 7 -3.025 1.887 5.707 59 HD2 PHE 7 2HD PHE 7 -5.999 3.366 8.431 60 HE1 PHE 7 1HE PHE 7 -1.308 2.024 7.507 61 HE2 PHE 7 2HE PHE 7 -4.291 3.507 10.223 62 HZ PHE 7 HZ PHE 7 -1.954 2.831 9.762 63 H LEU 8 H LEU 8 -5.197 3.076 3.020 64 HA LEU 8 HA LEU 8 -2.517 3.946 3.033 65 HB2 LEU 8 2HB LEU 8 -4.440 3.121 0.870 66 HB3 LEU 8 1HB LEU 8 -2.823 3.691 0.465 67 HG LEU 8 HG LEU 8 -3.098 1.596 2.600 68 HD11 LEU 8 1HD1 LEU 8 -3.132 -0.197 0.975 69 HD12 LEU 8 2HD1 LEU 8 -3.055 0.947 -0.360 70 HD13 LEU 8 3HD1 LEU 8 -4.509 0.851 0.637 71 HD21 LEU 8 1HD2 LEU 8 -0.911 2.642 2.039 72 HD22 LEU 8 2HD2 LEU 8 -1.094 2.079 0.377 73 HD23 LEU 8 3HD2 LEU 8 -0.920 0.911 1.691 74 H LEU 9 H LEU 9 -5.458 5.435 1.718 75 HA LEU 9 HA LEU 9 -4.230 7.649 0.492 76 HB2 LEU 9 2HB LEU 9 -6.546 6.886 0.106 77 HB3 LEU 9 1HB LEU 9 -6.990 7.445 1.706 78 HG LEU 9 HG LEU 9 -6.292 9.744 1.083 79 HD11 LEU 9 1HD1 LEU 9 -5.552 8.308 -1.449 80 HD12 LEU 9 2HD1 LEU 9 -4.687 9.593 -0.604 81 HD13 LEU 9 3HD1 LEU 9 -6.118 9.976 -1.560 82 HD21 LEU 9 1HD2 LEU 9 -8.196 10.199 -0.389 83 HD22 LEU 9 2HD2 LEU 9 -8.645 8.952 0.777 84 HD23 LEU 9 3HD2 LEU 9 -8.246 8.507 -0.881 85 H SER 10 H SER 10 -5.642 7.247 3.739 86 HA SER 10 HA SER 10 -5.326 9.900 4.599 87 HB2 SER 10 2HB SER 10 -5.227 7.363 6.244 88 HB3 SER 10 1HB SER 10 -5.508 8.982 6.868 89 HG SER 10 HG SER 10 -7.394 7.542 6.325 90 H LYS 11 H LYS 11 -3.129 7.122 4.690 91 HA LYS 11 HA LYS 11 -1.119 8.501 6.186 92 HB2 LYS 11 2HB LYS 11 -0.961 6.025 4.465 93 HB3 LYS 11 1HB LYS 11 0.357 6.613 5.475 94 HG2 LYS 11 2HG LYS 11 -2.398 5.976 6.566 95 HG3 LYS 11 1HG LYS 11 -1.096 4.797 6.512 96 HD2 LYS 11 2HD LYS 11 0.303 6.548 7.801 97 HD3 LYS 11 1HD LYS 11 -1.231 7.353 8.119 98 HE2 LYS 11 2HE LYS 11 -2.135 5.385 9.181 99 HE3 LYS 11 1HE LYS 11 -0.706 4.447 8.739 100 HZ1 LYS 11 1HZ LYS 11 0.019 5.046 10.748 101 HZ2 LYS 11 2HZ LYS 11 -1.083 6.331 10.889 102 HZ3 LYS 11 3HZ LYS 11 0.370 6.541 10.030 103 H GLY 12 H GLY 12 -1.551 7.908 2.703 104 HA2 GLY 12 2HA GLY 12 -0.161 10.313 2.038 105 HA3 GLY 12 1HA GLY 12 0.840 8.897 1.723 106 H ARG 13 H ARG 13 -0.302 10.832 -0.175 107 HA ARG 13 HA ARG 13 -2.445 9.549 -1.601 108 HB2 ARG 13 2HB ARG 13 -0.552 11.806 -2.292 109 HB3 ARG 13 1HB ARG 13 -1.802 11.225 -3.394 110 HG2 ARG 13 2HG ARG 13 -3.533 11.681 -1.726 111 HG3 ARG 13 1HG ARG 13 -2.310 12.219 -0.575 112 HD2 ARG 13 2HD ARG 13 -1.665 14.038 -2.106 113 HD3 ARG 13 1HD ARG 13 -2.876 13.494 -3.264 114 HE ARG 13 HE ARG 13 -3.979 14.056 -0.658 115 HH11 ARG 13 1HH1 ARG 13 -5.357 15.851 -0.532 116 HH12 ARG 13 2HH1 ARG 13 -5.378 17.014 -1.814 117 HH21 ARG 13 1HH2 ARG 13 -2.973 15.380 -3.698 118 HH22 ARG 13 2HH2 ARG 13 -4.034 16.745 -3.606 119 H ALA 14 H ALA 14 1.016 9.631 -1.661 120 HA ALA 14 HA ALA 14 1.496 8.419 -4.139 121 HB1 ALA 14 1HB ALA 14 3.030 8.709 -1.583 122 HB2 ALA 14 2HB ALA 14 3.400 9.353 -3.184 123 HB3 ALA 14 3HB ALA 14 3.657 7.642 -2.844 124 H LEU 15 H LEU 15 1.000 7.057 -0.911 125 HA LEU 15 HA LEU 15 1.531 4.351 -1.487 126 HB2 LEU 15 2HB LEU 15 -0.557 5.393 0.440 127 HB3 LEU 15 1HB LEU 15 0.329 3.867 0.539 128 HG LEU 15 HG LEU 15 1.657 6.592 0.644 129 HD11 LEU 15 1HD1 LEU 15 0.613 4.785 2.823 130 HD12 LEU 15 2HD1 LEU 15 0.401 6.529 2.637 131 HD13 LEU 15 3HD1 LEU 15 1.968 5.876 3.113 132 HD21 LEU 15 1HD2 LEU 15 3.434 5.089 1.738 133 HD22 LEU 15 2HD2 LEU 15 3.266 5.002 -0.012 134 HD23 LEU 15 3HD2 LEU 15 2.566 3.742 1.011 135 H TYR 16 H TYR 16 -1.475 6.218 -1.613 136 HA TYR 16 HA TYR 16 -3.226 4.128 -2.303 137 HB2 TYR 16 2HB TYR 16 -4.025 6.294 -1.525 138 HB3 TYR 16 1HB TYR 16 -3.343 7.085 -2.943 139 HD1 TYR 16 1HD TYR 16 -4.507 7.098 -5.036 140 HD2 TYR 16 2HD TYR 16 -5.899 4.646 -1.799 141 HE1 TYR 16 1HE TYR 16 -6.612 6.651 -6.280 142 HE2 TYR 16 2HE TYR 16 -7.997 4.201 -3.034 143 HH TYR 16 HH TYR 16 -9.290 5.715 -5.067 144 H ASN 17 H ASN 17 -1.384 6.397 -4.300 145 HA ASN 17 HA ASN 17 -2.344 5.517 -6.809 146 HB2 ASN 17 2HB ASN 17 -1.120 7.630 -6.531 147 HB3 ASN 17 1HB ASN 17 0.346 6.736 -6.122 148 HD21 ASN 17 1HD2 ASN 17 1.595 7.334 -7.977 149 HD22 ASN 17 2HD2 ASN 17 1.165 6.884 -9.558 150 H TRP 18 H TRP 18 0.474 4.516 -4.884 151 HA TRP 18 HA TRP 18 1.567 2.709 -6.725 152 HB2 TRP 18 2HB TRP 18 2.901 3.288 -4.853 153 HB3 TRP 18 1HB TRP 18 1.631 2.846 -3.722 154 HD1 TRP 18 HD TRP 18 1.328 0.317 -3.115 155 HE1 TRP 18 1HE TRP 18 2.759 -1.780 -3.535 156 HE3 TRP 18 3HE TRP 18 4.621 2.168 -6.554 157 HZ2 TRP 18 2HZ TRP 18 4.999 -2.580 -5.111 158 HZ3 TRP 18 3HZ TRP 18 6.405 0.721 -7.490 159 HH2 TRP 18 HH TRP 18 6.598 -1.647 -6.768 160 H ALA 19 H ALA 19 -0.866 2.196 -4.174 161 HA ALA 19 HA ALA 19 -1.145 -0.581 -4.488 162 HB1 ALA 19 1HB ALA 19 -3.499 -0.107 -3.535 163 HB2 ALA 19 2HB ALA 19 -2.980 1.576 -3.460 164 HB3 ALA 19 3HB ALA 19 -2.110 0.344 -2.544 165 H LYS 20 H LYS 20 -2.841 2.130 -6.027 166 HA LYS 20 HA LYS 20 -4.687 0.568 -7.500 167 HB2 LYS 20 2HB LYS 20 -4.896 3.020 -7.160 168 HB3 LYS 20 1HB LYS 20 -3.526 3.258 -8.247 169 HG2 LYS 20 2HG LYS 20 -4.757 2.181 -10.078 170 HG3 LYS 20 1HG LYS 20 -6.117 1.862 -9.001 171 HD2 LYS 20 2HD LYS 20 -6.409 4.288 -8.656 172 HD3 LYS 20 1HD LYS 20 -5.062 4.602 -9.752 173 HE2 LYS 20 2HE LYS 20 -6.273 3.497 -11.583 174 HE3 LYS 20 1HE LYS 20 -7.612 3.138 -10.495 175 HZ1 LYS 20 1HZ LYS 20 -7.626 5.261 -11.996 176 HZ2 LYS 20 2HZ LYS 20 -6.713 5.912 -10.719 177 HZ3 LYS 20 3HZ LYS 20 -8.269 5.296 -10.427 178 H SER 21 H SER 21 -1.477 1.815 -8.307 179 HA SER 21 HA SER 21 -1.398 0.969 -10.988 180 HB2 SER 21 2HB SER 21 0.135 2.627 -10.046 181 HB3 SER 21 1HB SER 21 0.868 1.384 -9.037 182 HG SER 21 HG SER 21 2.019 1.753 -10.993 183 H HIS 22 H HIS 22 -0.306 -0.680 -8.013 184 HA HIS 22 HA HIS 22 -0.122 -3.187 -9.590 185 HB2 HIS 22 2HB HIS 22 1.812 -2.133 -7.518 186 HB3 HIS 22 1HB HIS 22 1.768 -3.826 -8.019 187 HD1 HIS 22 1HD HIS 22 2.350 -0.360 -9.418 188 HD2 HIS 22 2HD HIS 22 2.970 -4.336 -10.502 189 HE1 HIS 22 1HE HIS 22 3.728 -0.314 -11.539 190 HE2 HIS 22 2HE HIS 22 4.127 -2.734 -12.207 191 H VAL 23 H VAL 23 -2.226 -3.710 -8.874 192 HA VAL 23 HA VAL 23 -2.931 -3.832 -6.122 193 HB VAL 23 HB VAL 23 -4.222 -5.515 -8.251 194 HG11 VAL 23 1HG1 VAL 23 -5.472 -3.847 -6.074 195 HG12 VAL 23 2HG1 VAL 23 -4.855 -5.470 -5.758 196 HG13 VAL 23 3HG1 VAL 23 -6.157 -5.234 -6.925 197 HG21 VAL 23 1HG2 VAL 23 -3.996 -3.410 -9.380 198 HG22 VAL 23 2HG2 VAL 23 -4.347 -2.502 -7.910 199 HG23 VAL 23 3HG2 VAL 23 -5.628 -3.418 -8.708 200 H GLY 24 H GLY 24 -1.214 -5.991 -8.245 201 HA2 GLY 24 2HA GLY 24 -1.682 -8.431 -6.950 202 HA3 GLY 24 1HA GLY 24 -0.222 -8.038 -7.856 203 H LYS 25 H LYS 25 0.880 -6.022 -6.356 204 HA LYS 25 HA LYS 25 2.151 -7.449 -4.270 205 HB2 LYS 25 2HB LYS 25 2.069 -4.506 -4.952 206 HB3 LYS 25 1HB LYS 25 3.129 -5.211 -3.761 207 HG2 LYS 25 2HG LYS 25 3.079 -6.147 -6.613 208 HG3 LYS 25 1HG LYS 25 4.173 -4.899 -6.027 209 HD2 LYS 25 2HD LYS 25 4.818 -6.671 -4.203 210 HD3 LYS 25 1HD LYS 25 4.116 -7.827 -5.326 211 HE2 LYS 25 2HE LYS 25 6.327 -7.803 -6.036 212 HE3 LYS 25 1HE LYS 25 5.598 -6.602 -7.110 213 HZ1 LYS 25 1HZ LYS 25 6.669 -5.739 -4.514 214 HZ2 LYS 25 2HZ LYS 25 6.539 -4.874 -5.973 215 HZ3 LYS 25 3HZ LYS 25 7.750 -6.045 -5.783 216 H VAL 26 H VAL 26 -0.550 -5.195 -4.280 217 HA VAL 26 HA VAL 26 -0.795 -4.841 -1.461 218 HB VAL 26 HB VAL 26 -2.825 -4.628 -3.711 219 HG11 VAL 26 1HG1 VAL 26 -3.010 -4.112 -0.744 220 HG12 VAL 26 2HG1 VAL 26 -4.133 -5.006 -1.768 221 HG13 VAL 26 3HG1 VAL 26 -4.038 -3.248 -1.887 222 HG21 VAL 26 1HG2 VAL 26 -2.500 -2.197 -3.266 223 HG22 VAL 26 2HG2 VAL 26 -1.009 -2.982 -3.783 224 HG23 VAL 26 3HG2 VAL 26 -1.263 -2.607 -2.078 225 H TRP 27 H TRP 27 -2.279 -7.074 -3.794 226 HA TRP 27 HA TRP 27 -3.936 -8.428 -2.020 227 HB2 TRP 27 2HB TRP 27 -2.590 -9.274 -4.579 228 HB3 TRP 27 1HB TRP 27 -3.572 -10.398 -3.647 229 HD1 TRP 27 HD TRP 27 -3.898 -8.018 -6.350 230 HE1 TRP 27 1HE TRP 27 -6.341 -7.264 -6.662 231 HE3 TRP 27 3HE TRP 27 -5.891 -9.648 -1.943 232 HZ2 TRP 27 2HZ TRP 27 -8.810 -7.338 -5.233 233 HZ3 TRP 27 3HZ TRP 27 -8.290 -9.293 -1.445 234 HH2 TRP 27 HH TRP 27 -9.754 -8.140 -3.082 235 H GLU 28 H GLU 28 -0.542 -8.967 -2.893 236 HA GLU 28 HA GLU 28 0.032 -11.329 -1.581 237 HB2 GLU 28 2HB GLU 28 1.794 -8.861 -1.713 238 HB3 GLU 28 1HB GLU 28 2.335 -10.438 -1.177 239 HG2 GLU 28 2HG GLU 28 1.171 -9.930 -3.908 240 HG3 GLU 28 1HG GLU 28 2.884 -9.860 -3.568 241 H TRP 29 H TRP 29 0.292 -7.979 -0.208 242 HA TRP 29 HA TRP 29 0.931 -9.133 2.382 243 HB2 TRP 29 2HB TRP 29 0.179 -6.303 1.642 244 HB3 TRP 29 1HB TRP 29 0.766 -6.815 3.236 245 HD1 TRP 29 HD TRP 29 3.130 -8.483 2.960 246 HE1 TRP 29 1HE TRP 29 5.182 -7.978 1.474 247 HE3 TRP 29 3HE TRP 29 1.087 -5.053 -0.147 248 HZ2 TRP 29 2HZ TRP 29 5.845 -6.337 -0.765 249 HZ3 TRP 29 3HZ TRP 29 2.407 -4.052 -1.950 250 HH2 TRP 29 HH TRP 29 4.792 -4.689 -2.277 251 H LEU 30 H LEU 30 -2.054 -8.074 0.906 252 HA LEU 30 HA LEU 30 -3.600 -8.060 3.288 253 HB2 LEU 30 2HB LEU 30 -4.233 -8.312 0.382 254 HB3 LEU 30 1HB LEU 30 -5.481 -8.772 1.526 255 HG LEU 30 HG LEU 30 -5.420 -6.315 0.686 256 HD11 LEU 30 1HD1 LEU 30 -6.360 -5.540 2.760 257 HD12 LEU 30 2HD1 LEU 30 -5.487 -6.764 3.678 258 HD13 LEU 30 3HD1 LEU 30 -6.789 -7.240 2.591 259 HD21 LEU 30 1HD2 LEU 30 -2.863 -6.228 1.395 260 HD22 LEU 30 2HD2 LEU 30 -3.539 -5.816 2.970 261 HD23 LEU 30 3HD2 LEU 30 -3.891 -4.821 1.568 262 H LYS 31 H LYS 31 -2.804 -10.693 1.027 263 HA LYS 31 HA LYS 31 -4.392 -12.666 2.301 264 HB2 LYS 31 2HB LYS 31 -1.948 -12.890 0.533 265 HB3 LYS 31 1HB LYS 31 -2.864 -14.285 1.102 266 HG2 LYS 31 2HG LYS 31 -4.895 -13.414 0.034 267 HG3 LYS 31 1HG LYS 31 -4.016 -11.986 -0.503 268 HD2 LYS 31 2HD LYS 31 -2.509 -13.400 -1.846 269 HD3 LYS 31 1HD LYS 31 -3.371 -14.839 -1.302 270 HE2 LYS 31 2HE LYS 31 -5.440 -14.017 -2.341 271 HE3 LYS 31 1HE LYS 31 -4.609 -12.549 -2.858 272 HZ1 LYS 31 1HZ LYS 31 -4.276 -13.744 -4.714 273 HZ2 LYS 31 2HZ LYS 31 -4.471 -15.242 -3.939 274 HZ3 LYS 31 3HZ LYS 31 -2.988 -14.417 -3.841 275 H SER 32 H SER 32 -1.012 -11.697 2.662 276 HA SER 32 HA SER 32 -0.337 -13.702 4.584 277 HB2 SER 32 2HB SER 32 1.662 -12.347 5.008 278 HB3 SER 32 1HB SER 32 1.383 -12.525 3.277 279 HG SER 32 HG SER 32 1.577 -10.297 4.692 280 H GLY 33 H GLY 33 -1.713 -10.475 4.793 281 HA2 GLY 33 2HA GLY 33 -2.993 -9.643 6.577 282 HA3 GLY 33 1HA GLY 33 -2.399 -10.953 7.590 283 H ALA 34 H ALA 34 -0.276 -8.895 5.683 284 HA ALA 34 HA ALA 34 1.311 -8.233 7.954 285 HB1 ALA 34 1HB ALA 34 2.783 -7.309 6.457 286 HB2 ALA 34 2HB ALA 34 1.512 -6.562 5.490 287 HB3 ALA 34 3HB ALA 34 1.847 -8.288 5.329 288 H THR 35 H THR 35 1.729 -6.147 8.794 289 HA THR 35 HA THR 35 -0.600 -4.709 9.513 290 HB THR 35 HB THR 35 0.997 -3.113 10.543 291 HG1 THR 35 1HG THR 35 3.266 -3.976 10.339 292 HG21 THR 35 1HG2 THR 35 0.357 -5.269 11.643 293 HG22 THR 35 2HG2 THR 35 1.952 -4.691 12.120 294 HG23 THR 35 3HG2 THR 35 1.802 -6.008 10.955 295 H TYR 36 H TYR 36 -1.436 -2.819 8.800 296 HA TYR 36 HA TYR 36 -1.099 -2.085 6.118 297 HB2 TYR 36 2HB TYR 36 -2.134 -0.326 8.354 298 HB3 TYR 36 1HB TYR 36 -2.488 -0.172 6.633 299 HD1 TYR 36 1HD TYR 36 -3.250 -2.594 5.571 300 HD2 TYR 36 2HD TYR 36 -3.844 -1.272 9.612 301 HE1 TYR 36 1HE TYR 36 -5.142 -4.174 5.810 302 HE2 TYR 36 2HE TYR 36 -5.736 -2.847 9.848 303 HH TYR 36 HH TYR 36 -6.529 -5.170 7.345 304 H GLU 37 H GLU 37 0.320 -0.793 9.079 305 HA GLU 37 HA GLU 37 1.604 1.448 7.974 306 HB2 GLU 37 2HB GLU 37 2.290 -0.251 10.374 307 HB3 GLU 37 1HB GLU 37 3.084 1.281 9.991 308 HG2 GLU 37 2HG GLU 37 0.939 2.438 10.073 309 HG3 GLU 37 1HG GLU 37 0.110 0.917 10.390 310 H GLN 38 H GLN 38 2.819 -1.851 8.576 311 HA GLN 38 HA GLN 38 5.424 -1.407 7.605 312 HB2 GLN 38 2HB GLN 38 4.849 -3.401 8.898 313 HB3 GLN 38 1HB GLN 38 3.796 -3.968 7.603 314 HG2 GLN 38 2HG GLN 38 5.712 -4.130 6.083 315 HG3 GLN 38 1HG GLN 38 6.779 -3.478 7.328 316 HE21 GLN 38 1HE2 GLN 38 7.917 -5.107 8.395 317 HE22 GLN 38 2HE2 GLN 38 7.330 -6.668 8.692 318 H ILE 39 H ILE 39 2.437 -2.358 5.993 319 HA ILE 39 HA ILE 39 3.518 -2.938 3.462 320 HB ILE 39 HB ILE 39 0.766 -2.006 4.305 321 HG12 ILE 39 2HG1 ILE 39 1.761 -4.704 3.338 322 HG13 ILE 39 1HG1 ILE 39 1.636 -4.268 5.038 323 HG21 ILE 39 1HG2 ILE 39 1.881 -2.686 1.582 324 HG22 ILE 39 2HG2 ILE 39 0.816 -1.356 2.058 325 HG23 ILE 39 3HG2 ILE 39 0.185 -2.994 1.968 326 HD11 ILE 39 1HD1 ILE 39 -0.580 -4.639 3.024 327 HD12 ILE 39 2HD1 ILE 39 -0.840 -3.689 4.483 328 HD13 ILE 39 3HD1 ILE 39 -0.391 -5.396 4.605 329 H LYS 40 H LYS 40 2.148 0.202 4.719 330 HA LYS 40 HA LYS 40 2.750 1.467 2.231 331 HB2 LYS 40 2HB LYS 40 2.688 3.654 3.343 332 HB3 LYS 40 1HB LYS 40 1.217 2.690 3.604 333 HG2 LYS 40 2HG LYS 40 1.868 2.136 5.824 334 HG3 LYS 40 1HG LYS 40 3.519 2.700 5.568 335 HD2 LYS 40 2HD LYS 40 2.575 5.014 5.174 336 HD3 LYS 40 1HD LYS 40 1.001 4.385 5.683 337 HE2 LYS 40 2HE LYS 40 3.456 4.066 7.405 338 HE3 LYS 40 1HE LYS 40 2.470 5.531 7.470 339 HZ1 LYS 40 1HZ LYS 40 0.766 3.316 7.572 340 HZ2 LYS 40 2HZ LYS 40 1.064 4.468 8.781 341 HZ3 LYS 40 3HZ LYS 40 2.007 3.058 8.699 342 H GLU 41 H GLU 41 4.626 0.906 5.160 343 HA GLU 41 HA GLU 41 6.721 2.658 4.674 344 HB2 GLU 41 2HB GLU 41 6.489 1.370 6.743 345 HB3 GLU 41 1HB GLU 41 6.898 -0.100 5.871 346 HG2 GLU 41 2HG GLU 41 9.101 0.831 5.293 347 HG3 GLU 41 1HG GLU 41 8.691 2.336 6.107 348 H TRP 42 H TRP 42 6.355 -0.745 3.608 349 HA TRP 42 HA TRP 42 8.798 -0.763 2.139 350 HB2 TRP 42 2HB TRP 42 6.259 -2.358 1.766 351 HB3 TRP 42 1HB TRP 42 7.746 -2.682 0.887 352 HD1 TRP 42 HD TRP 42 9.768 -2.323 3.441 353 HE1 TRP 42 1HE TRP 42 9.795 -4.189 5.213 354 HE3 TRP 42 3HE TRP 42 5.245 -4.476 2.518 355 HZ2 TRP 42 2HZ TRP 42 8.121 -6.305 6.127 356 HZ3 TRP 42 3HZ TRP 42 4.480 -6.414 3.852 357 HH2 TRP 42 HH TRP 42 5.910 -7.334 5.656 358 H ILE 43 H ILE 43 5.492 0.090 1.261 359 HA ILE 43 HA ILE 43 5.955 0.401 -1.512 360 HB ILE 43 HB ILE 43 3.927 1.656 0.317 361 HG12 ILE 43 2HG1 ILE 43 3.661 -0.479 -1.798 362 HG13 ILE 43 1HG1 ILE 43 3.965 -0.850 -0.098 363 HG21 ILE 43 1HG2 ILE 43 4.284 1.809 -2.665 364 HG22 ILE 43 2HG2 ILE 43 4.038 3.135 -1.534 365 HG23 ILE 43 3HG2 ILE 43 2.716 2.030 -1.895 366 HD11 ILE 43 1HD1 ILE 43 1.880 0.006 0.580 367 HD12 ILE 43 2HD1 ILE 43 1.503 -0.831 -0.919 368 HD13 ILE 43 3HD1 ILE 43 1.665 0.926 -0.901 369 H GLU 44 H GLU 44 6.103 2.829 1.099 370 HA GLU 44 HA GLU 44 6.670 4.912 -0.695 371 HB2 GLU 44 2HB GLU 44 7.080 6.328 1.224 372 HB3 GLU 44 1HB GLU 44 5.644 5.347 1.498 373 HG2 GLU 44 2HG GLU 44 6.509 4.502 3.392 374 HG3 GLU 44 1HG GLU 44 7.933 3.936 2.535 375 H ASN 45 H ASN 45 8.758 2.637 1.111 376 HA ASN 45 HA ASN 45 11.195 3.967 0.532 377 HB2 ASN 45 2HB ASN 45 11.089 2.160 2.169 378 HB3 ASN 45 1HB ASN 45 10.624 1.020 0.908 379 HD21 ASN 45 1HD2 ASN 45 13.338 3.228 1.813 380 HD22 ASN 45 2HD2 ASN 45 14.532 2.295 1.045 381 H ALA 46 H ALA 46 9.308 1.531 -1.288 382 HA ALA 46 HA ALA 46 11.169 1.218 -3.409 383 HB1 ALA 46 1HB ALA 46 9.246 -0.330 -2.978 384 HB2 ALA 46 2HB ALA 46 9.346 0.211 -4.653 385 HB3 ALA 46 3HB ALA 46 8.156 0.924 -3.562 386 H LEU 47 H LEU 47 8.401 3.389 -2.947 387 HA LEU 47 HA LEU 47 8.381 4.619 -5.453 388 HB2 LEU 47 2HB LEU 47 6.798 4.797 -3.326 389 HB3 LEU 47 1HB LEU 47 7.801 6.191 -2.964 390 HG LEU 47 HG LEU 47 5.930 7.020 -4.202 391 HD11 LEU 47 1HD1 LEU 47 8.275 7.765 -4.901 392 HD12 LEU 47 2HD1 LEU 47 6.969 8.077 -6.044 393 HD13 LEU 47 3HD1 LEU 47 8.067 6.721 -6.311 394 HD21 LEU 47 1HD2 LEU 47 5.513 4.611 -5.197 395 HD22 LEU 47 2HD2 LEU 47 6.471 5.220 -6.545 396 HD23 LEU 47 3HD2 LEU 47 4.978 6.036 -6.084 397 H GLY 48 H GLY 48 10.184 5.499 -2.476 398 HA2 GLY 48 2HA GLY 48 11.370 7.840 -3.477 399 HA3 GLY 48 1HA GLY 48 12.020 6.852 -2.173 400 H TRP 49 H TRP 49 12.408 4.456 -3.568 401 HA TRP 49 HA TRP 49 14.793 5.149 -5.130 402 HB2 TRP 49 2HB TRP 49 13.772 2.565 -3.940 403 HB3 TRP 49 1HB TRP 49 15.193 2.644 -4.982 404 HD1 TRP 49 HD TRP 49 14.108 3.126 -1.459 405 HE1 TRP 49 1HE TRP 49 16.050 4.072 -0.048 406 HE3 TRP 49 3HE TRP 49 17.359 4.411 -5.181 407 HZ2 TRP 49 2HZ TRP 49 18.634 5.229 -0.448 408 HZ3 TRP 49 3HZ TRP 49 19.548 5.437 -4.638 409 HH2 TRP 49 HH TRP 49 20.189 5.849 -2.280 410 H ARG 50 H ARG 50 15.258 3.796 -7.099 411 HA ARG 50 HA ARG 50 13.632 4.253 -9.192 412 HB2 ARG 50 2HB ARG 50 15.853 3.172 -9.386 413 HB3 ARG 50 1HB ARG 50 15.141 1.656 -8.827 414 HG2 ARG 50 2HG ARG 50 13.585 1.666 -10.734 415 HG3 ARG 50 1HG ARG 50 14.263 3.193 -11.290 416 HD2 ARG 50 2HD ARG 50 15.871 0.649 -10.961 417 HD3 ARG 50 1HD ARG 50 15.167 1.180 -12.485 418 HE ARG 50 HE ARG 50 16.687 3.307 -11.488 419 HH11 ARG 50 1HH1 ARG 50 18.806 3.636 -12.240 420 HH12 ARG 50 2HH1 ARG 50 19.673 2.328 -12.974 421 HH21 ARG 50 1HH2 ARG 50 17.079 0.057 -12.612 422 HH22 ARG 50 2HH2 ARG 50 18.696 0.302 -13.180 Start of MODEL 13 1 H FME 1 H FME 1 -11.993 -4.741 -0.303 2 HCN FME 1 HF FME 1 -13.134 -5.248 1.678 3 HA FME 1 HA FME 1 -9.721 -4.064 1.402 4 HB2 FME 1 1HB FME 1 -9.478 -5.309 -0.795 5 HB3 FME 1 2HB FME 1 -8.434 -3.899 -0.607 6 HG2 FME 1 1HG FME 1 -9.687 -2.617 -2.110 7 HG3 FME 1 2HG FME 1 -11.144 -3.578 -1.871 8 HE1 FME 1 1HE FME 1 -7.352 -4.680 -4.062 9 HE2 FME 1 2HE FME 1 -7.631 -3.518 -2.769 10 HE3 FME 1 3HE FME 1 -8.087 -3.113 -4.424 11 H ALA 2 H ALA 2 -12.435 -2.508 0.615 12 HA ALA 2 HA ALA 2 -11.628 0.024 -0.322 13 HB1 ALA 2 1HB ALA 2 -13.933 -0.602 1.535 14 HB2 ALA 2 2HB ALA 2 -13.983 -0.792 -0.217 15 HB3 ALA 2 3HB ALA 2 -13.768 0.809 0.491 16 H GLY 3 H GLY 3 -11.896 -1.320 2.940 17 HA2 GLY 3 2HA GLY 3 -11.375 1.076 4.343 18 HA3 GLY 3 1HA GLY 3 -11.107 -0.550 4.966 19 H LEU 4 H LEU 4 -9.260 -1.452 3.064 20 HA LEU 4 HA LEU 4 -6.849 -0.526 4.154 21 HB2 LEU 4 2HB LEU 4 -7.077 -2.752 3.259 22 HB3 LEU 4 1HB LEU 4 -7.481 -2.130 1.668 23 HG LEU 4 HG LEU 4 -5.107 -2.981 1.959 24 HD11 LEU 4 1HD1 LEU 4 -4.373 -1.567 0.333 25 HD12 LEU 4 2HD1 LEU 4 -4.743 -0.117 1.255 26 HD13 LEU 4 3HD1 LEU 4 -6.027 -0.945 0.384 27 HD21 LEU 4 1HD2 LEU 4 -5.004 -1.854 4.304 28 HD22 LEU 4 2HD2 LEU 4 -4.576 -0.396 3.406 29 HD23 LEU 4 3HD2 LEU 4 -3.559 -1.828 3.299 30 H LEU 5 H LEU 5 -8.491 0.178 1.108 31 HA LEU 5 HA LEU 5 -6.460 1.790 -0.020 32 HB2 LEU 5 2HB LEU 5 -9.452 1.690 -0.455 33 HB3 LEU 5 1HB LEU 5 -8.382 2.706 -1.415 34 HG LEU 5 HG LEU 5 -8.026 -0.292 -1.094 35 HD11 LEU 5 1HD1 LEU 5 -9.335 1.311 -3.309 36 HD12 LEU 5 2HD1 LEU 5 -10.139 0.176 -2.226 37 HD13 LEU 5 3HD1 LEU 5 -8.965 -0.413 -3.399 38 HD21 LEU 5 1HD2 LEU 5 -6.624 1.893 -2.608 39 HD22 LEU 5 2HD2 LEU 5 -6.762 0.314 -3.383 40 HD23 LEU 5 3HD2 LEU 5 -5.951 0.465 -1.824 41 H ARG 6 H ARG 6 -9.281 2.568 1.956 42 HA ARG 6 HA ARG 6 -8.995 5.351 1.878 43 HB2 ARG 6 2HB ARG 6 -10.989 4.154 2.717 44 HB3 ARG 6 1HB ARG 6 -10.075 3.655 4.136 45 HG2 ARG 6 2HG ARG 6 -10.046 6.586 3.533 46 HG3 ARG 6 1HG ARG 6 -11.589 5.919 4.050 47 HD2 ARG 6 2HD ARG 6 -10.475 4.940 6.059 48 HD3 ARG 6 1HD ARG 6 -8.963 5.666 5.563 49 HE ARG 6 HE ARG 6 -11.036 7.626 5.782 50 HH11 ARG 6 1HH1 ARG 6 -10.928 9.044 7.560 51 HH12 ARG 6 2HH1 ARG 6 -9.890 8.677 8.898 52 HH21 ARG 6 1HH2 ARG 6 -8.763 5.686 7.547 53 HH22 ARG 6 2HH2 ARG 6 -8.668 6.776 8.891 54 H PHE 7 H PHE 7 -7.666 2.949 4.103 55 HA PHE 7 HA PHE 7 -6.429 4.714 5.896 56 HB2 PHE 7 2HB PHE 7 -6.730 2.298 6.325 57 HB3 PHE 7 1HB PHE 7 -5.582 1.925 5.044 58 HD1 PHE 7 1HD PHE 7 -3.230 2.013 5.422 59 HD2 PHE 7 2HD PHE 7 -5.958 3.562 8.361 60 HE1 PHE 7 1HE PHE 7 -1.364 2.231 7.036 61 HE2 PHE 7 2HE PHE 7 -4.093 3.788 9.976 62 HZ PHE 7 HZ PHE 7 -1.792 3.125 9.314 63 H LEU 8 H LEU 8 -5.197 3.159 2.937 64 HA LEU 8 HA LEU 8 -2.583 4.205 3.105 65 HB2 LEU 8 2HB LEU 8 -4.252 3.133 0.848 66 HB3 LEU 8 1HB LEU 8 -2.676 3.849 0.520 67 HG LEU 8 HG LEU 8 -3.173 1.571 2.475 68 HD11 LEU 8 1HD1 LEU 8 -2.461 0.074 0.824 69 HD12 LEU 8 2HD1 LEU 8 -1.679 1.338 -0.124 70 HD13 LEU 8 3HD1 LEU 8 -3.439 1.211 -0.112 71 HD21 LEU 8 1HD2 LEU 8 -0.463 1.576 1.798 72 HD22 LEU 8 2HD2 LEU 8 -1.154 2.217 3.292 73 HD23 LEU 8 3HD2 LEU 8 -0.846 3.293 1.938 74 H LEU 9 H LEU 9 -5.509 5.473 1.540 75 HA LEU 9 HA LEU 9 -4.306 7.701 0.290 76 HB2 LEU 9 2HB LEU 9 -6.692 6.643 0.056 77 HB3 LEU 9 1HB LEU 9 -7.113 7.772 1.343 78 HG LEU 9 HG LEU 9 -5.780 8.570 -1.261 79 HD11 LEU 9 1HD1 LEU 9 -8.127 7.676 -1.513 80 HD12 LEU 9 2HD1 LEU 9 -7.961 9.373 -1.966 81 HD13 LEU 9 3HD1 LEU 9 -8.669 8.944 -0.410 82 HD21 LEU 9 1HD2 LEU 9 -6.634 10.017 1.221 83 HD22 LEU 9 2HD2 LEU 9 -6.904 10.835 -0.317 84 HD23 LEU 9 3HD2 LEU 9 -5.275 10.342 0.143 85 H SER 10 H SER 10 -5.828 7.319 3.498 86 HA SER 10 HA SER 10 -5.656 10.011 4.297 87 HB2 SER 10 2HB SER 10 -6.996 8.311 5.515 88 HB3 SER 10 1HB SER 10 -5.506 7.538 6.048 89 HG SER 10 HG SER 10 -5.280 10.106 6.582 90 H LYS 11 H LYS 11 -3.347 7.310 4.586 91 HA LYS 11 HA LYS 11 -1.461 8.851 6.105 92 HB2 LYS 11 2HB LYS 11 -1.100 6.325 4.478 93 HB3 LYS 11 1HB LYS 11 0.139 7.011 5.529 94 HG2 LYS 11 2HG LYS 11 -2.626 6.212 6.462 95 HG3 LYS 11 1HG LYS 11 -1.196 5.188 6.605 96 HD2 LYS 11 2HD LYS 11 -0.144 7.288 7.794 97 HD3 LYS 11 1HD LYS 11 -1.831 7.762 8.040 98 HE2 LYS 11 2HE LYS 11 -2.312 5.604 9.086 99 HE3 LYS 11 1HE LYS 11 -0.634 5.113 8.861 100 HZ1 LYS 11 1HZ LYS 11 -1.307 7.588 10.322 101 HZ2 LYS 11 2HZ LYS 11 0.110 6.654 10.402 102 HZ3 LYS 11 3HZ LYS 11 -1.328 6.085 11.105 103 H GLY 12 H GLY 12 -1.738 8.113 2.664 104 HA2 GLY 12 2HA GLY 12 -0.364 10.509 1.929 105 HA3 GLY 12 1HA GLY 12 0.648 9.083 1.705 106 H ARG 13 H ARG 13 -0.086 10.656 -0.450 107 HA ARG 13 HA ARG 13 -2.345 9.355 -1.771 108 HB2 ARG 13 2HB ARG 13 -2.047 11.792 -1.950 109 HB3 ARG 13 1HB ARG 13 -0.502 11.534 -2.755 110 HG2 ARG 13 2HG ARG 13 -1.633 10.328 -4.582 111 HG3 ARG 13 1HG ARG 13 -3.186 10.532 -3.776 112 HD2 ARG 13 2HD ARG 13 -2.977 12.248 -5.480 113 HD3 ARG 13 1HD ARG 13 -2.850 13.019 -3.903 114 HE ARG 13 HE ARG 13 -0.264 12.320 -4.803 115 HH11 ARG 13 1HH1 ARG 13 1.058 13.920 -5.690 116 HH12 ARG 13 2HH1 ARG 13 0.363 15.402 -6.253 117 HH21 ARG 13 1HH2 ARG 13 -2.891 14.469 -5.478 118 HH22 ARG 13 2HH2 ARG 13 -1.883 15.715 -6.134 119 H ALA 14 H ALA 14 1.155 9.452 -1.924 120 HA ALA 14 HA ALA 14 1.530 8.229 -4.431 121 HB1 ALA 14 1HB ALA 14 3.477 9.129 -3.515 122 HB2 ALA 14 2HB ALA 14 3.715 7.404 -3.229 123 HB3 ALA 14 3HB ALA 14 3.157 8.453 -1.919 124 H LEU 15 H LEU 15 1.186 6.842 -1.162 125 HA LEU 15 HA LEU 15 1.588 4.154 -1.870 126 HB2 LEU 15 2HB LEU 15 -0.263 5.142 0.297 127 HB3 LEU 15 1HB LEU 15 0.617 3.625 0.240 128 HG LEU 15 HG LEU 15 2.067 6.282 0.251 129 HD11 LEU 15 1HD1 LEU 15 0.742 6.387 2.218 130 HD12 LEU 15 2HD1 LEU 15 2.324 5.812 2.743 131 HD13 LEU 15 3HD1 LEU 15 0.987 4.678 2.563 132 HD21 LEU 15 1HD2 LEU 15 3.777 4.765 1.412 133 HD22 LEU 15 2HD2 LEU 15 3.530 4.474 -0.301 134 HD23 LEU 15 3HD2 LEU 15 2.787 3.410 0.893 135 H TYR 16 H TYR 16 -1.339 6.138 -1.747 136 HA TYR 16 HA TYR 16 -3.223 4.132 -2.313 137 HB2 TYR 16 2HB TYR 16 -3.915 6.301 -1.478 138 HB3 TYR 16 1HB TYR 16 -3.234 7.107 -2.889 139 HD1 TYR 16 1HD TYR 16 -4.672 7.683 -4.615 140 HD2 TYR 16 2HD TYR 16 -5.671 4.358 -2.077 141 HE1 TYR 16 1HE TYR 16 -6.824 7.420 -5.806 142 HE2 TYR 16 2HE TYR 16 -7.826 4.101 -3.267 143 HH TYR 16 HH TYR 16 -8.523 4.939 -5.966 144 H ASN 17 H ASN 17 -1.417 6.318 -4.469 145 HA ASN 17 HA ASN 17 -2.577 5.441 -6.878 146 HB2 ASN 17 2HB ASN 17 -1.193 7.479 -6.682 147 HB3 ASN 17 1HB ASN 17 0.230 6.474 -6.413 148 HD21 ASN 17 1HD2 ASN 17 1.251 7.183 -8.398 149 HD22 ASN 17 2HD2 ASN 17 0.667 6.693 -9.915 150 H TRP 18 H TRP 18 0.272 4.346 -5.087 151 HA TRP 18 HA TRP 18 1.198 2.438 -6.905 152 HB2 TRP 18 2HB TRP 18 2.632 3.005 -5.105 153 HB3 TRP 18 1HB TRP 18 1.384 2.682 -3.900 154 HD1 TRP 18 HD TRP 18 1.058 0.283 -3.069 155 HE1 TRP 18 1HE TRP 18 2.370 -1.910 -3.422 156 HE3 TRP 18 3HE TRP 18 4.039 1.629 -7.005 157 HZ2 TRP 18 2HZ TRP 18 4.391 -2.952 -5.124 158 HZ3 TRP 18 3HZ TRP 18 5.632 0.005 -7.977 159 HH2 TRP 18 HH TRP 18 5.814 -2.287 -7.046 160 H ALA 19 H ALA 19 -1.101 2.078 -4.201 161 HA ALA 19 HA ALA 19 -1.529 -0.685 -4.489 162 HB1 ALA 19 1HB ALA 19 -3.801 -0.067 -3.389 163 HB2 ALA 19 2HB ALA 19 -3.134 1.564 -3.306 164 HB3 ALA 19 3HB ALA 19 -2.317 0.238 -2.486 165 H LYS 20 H LYS 20 -3.184 2.110 -5.910 166 HA LYS 20 HA LYS 20 -5.218 0.657 -7.210 167 HB2 LYS 20 2HB LYS 20 -5.255 3.118 -6.879 168 HB3 LYS 20 1HB LYS 20 -3.970 3.278 -8.075 169 HG2 LYS 20 2HG LYS 20 -5.416 2.257 -9.786 170 HG3 LYS 20 1HG LYS 20 -6.693 2.037 -8.593 171 HD2 LYS 20 2HD LYS 20 -6.802 4.490 -8.266 172 HD3 LYS 20 1HD LYS 20 -5.544 4.701 -9.484 173 HE2 LYS 20 2HE LYS 20 -7.004 3.615 -11.170 174 HE3 LYS 20 1HE LYS 20 -8.265 3.438 -9.951 175 HZ1 LYS 20 1HZ LYS 20 -8.068 5.537 -11.582 176 HZ2 LYS 20 2HZ LYS 20 -7.190 6.114 -10.247 177 HZ3 LYS 20 3HZ LYS 20 -8.798 5.600 -10.054 178 H SER 21 H SER 21 -2.009 1.701 -8.310 179 HA SER 21 HA SER 21 -2.244 0.785 -10.952 180 HB2 SER 21 2HB SER 21 -0.486 2.350 -10.239 181 HB3 SER 21 1HB SER 21 0.244 1.094 -9.247 182 HG SER 21 HG SER 21 -0.149 0.163 -11.716 183 H HIS 22 H HIS 22 -1.030 -0.843 -8.030 184 HA HIS 22 HA HIS 22 -1.081 -3.398 -9.542 185 HB2 HIS 22 2HB HIS 22 0.856 -2.481 -7.403 186 HB3 HIS 22 1HB HIS 22 0.761 -4.131 -8.020 187 HD1 HIS 22 1HD HIS 22 1.043 -4.320 -10.731 188 HD2 HIS 22 2HD HIS 22 2.477 -0.837 -8.948 189 HE1 HIS 22 1HE HIS 22 2.628 -3.265 -12.399 190 HE2 HIS 22 2HE HIS 22 3.529 -1.151 -11.315 191 H VAL 23 H VAL 23 -3.238 -3.750 -8.850 192 HA VAL 23 HA VAL 23 -4.001 -3.732 -6.122 193 HB VAL 23 HB VAL 23 -5.947 -5.059 -6.870 194 HG11 VAL 23 1HG1 VAL 23 -6.604 -3.444 -8.811 195 HG12 VAL 23 2HG1 VAL 23 -5.071 -2.652 -8.450 196 HG13 VAL 23 3HG1 VAL 23 -6.317 -2.774 -7.206 197 HG21 VAL 23 1HG2 VAL 23 -4.906 -6.537 -8.455 198 HG22 VAL 23 2HG2 VAL 23 -4.365 -5.181 -9.445 199 HG23 VAL 23 3HG2 VAL 23 -6.082 -5.563 -9.338 200 H GLY 24 H GLY 24 -2.335 -5.970 -8.136 201 HA2 GLY 24 2HA GLY 24 -2.734 -8.386 -6.745 202 HA3 GLY 24 1HA GLY 24 -1.326 -7.999 -7.730 203 H LYS 25 H LYS 25 -0.388 -5.751 -6.250 204 HA LYS 25 HA LYS 25 1.143 -7.046 -4.255 205 HB2 LYS 25 2HB LYS 25 0.600 -4.110 -4.739 206 HB3 LYS 25 1HB LYS 25 1.838 -4.727 -3.644 207 HG2 LYS 25 2HG LYS 25 1.777 -5.606 -6.533 208 HG3 LYS 25 1HG LYS 25 2.522 -4.077 -6.078 209 HD2 LYS 25 2HD LYS 25 4.007 -5.248 -4.511 210 HD3 LYS 25 1HD LYS 25 3.284 -6.792 -4.959 211 HE2 LYS 25 2HE LYS 25 5.355 -6.447 -6.226 212 HE3 LYS 25 1HE LYS 25 3.970 -6.412 -7.315 213 HZ1 LYS 25 1HZ LYS 25 5.432 -4.590 -7.815 214 HZ2 LYS 25 2HZ LYS 25 5.403 -4.058 -6.201 215 HZ3 LYS 25 3HZ LYS 25 3.997 -3.973 -7.152 216 H VAL 26 H VAL 26 -1.752 -5.043 -4.112 217 HA VAL 26 HA VAL 26 -1.939 -4.732 -1.328 218 HB VAL 26 HB VAL 26 -4.088 -4.811 -3.449 219 HG11 VAL 26 1HG1 VAL 26 -5.399 -3.577 -1.615 220 HG12 VAL 26 2HG1 VAL 26 -4.176 -4.173 -0.495 221 HG13 VAL 26 3HG1 VAL 26 -5.176 -5.314 -1.389 222 HG21 VAL 26 1HG2 VAL 26 -3.924 -2.426 -3.437 223 HG22 VAL 26 2HG2 VAL 26 -2.253 -2.989 -3.446 224 HG23 VAL 26 3HG2 VAL 26 -2.985 -2.421 -1.945 225 H TRP 27 H TRP 27 -3.245 -7.108 -3.550 226 HA TRP 27 HA TRP 27 -4.651 -8.644 -1.636 227 HB2 TRP 27 2HB TRP 27 -3.550 -9.311 -4.353 228 HB3 TRP 27 1HB TRP 27 -4.368 -10.521 -3.359 229 HD1 TRP 27 HD TRP 27 -5.305 -6.790 -3.743 230 HE1 TRP 27 1HE TRP 27 -7.709 -6.648 -4.643 231 HE3 TRP 27 3HE TRP 27 -6.304 -11.758 -4.430 232 HZ2 TRP 27 2HZ TRP 27 -9.778 -8.382 -5.534 233 HZ3 TRP 27 3HZ TRP 27 -8.509 -12.475 -5.319 234 HH2 TRP 27 HH TRP 27 -10.244 -10.793 -5.869 235 H GLU 28 H GLU 28 -1.349 -8.941 -2.899 236 HA GLU 28 HA GLU 28 -0.624 -11.308 -1.614 237 HB2 GLU 28 2HB GLU 28 0.712 -10.191 -3.391 238 HB3 GLU 28 1HB GLU 28 1.167 -8.940 -2.234 239 HG2 GLU 28 2HG GLU 28 2.227 -10.628 -0.796 240 HG3 GLU 28 1HG GLU 28 1.713 -11.903 -1.901 241 H TRP 29 H TRP 29 -0.334 -7.900 -0.439 242 HA TRP 29 HA TRP 29 0.941 -8.695 1.985 243 HB2 TRP 29 2HB TRP 29 -0.755 -6.230 1.802 244 HB3 TRP 29 1HB TRP 29 0.677 -6.524 2.760 245 HD1 TRP 29 HD TRP 29 -0.233 -4.488 0.110 246 HE1 TRP 29 1HE TRP 29 1.659 -3.987 -1.556 247 HE3 TRP 29 3HE TRP 29 3.084 -8.145 1.435 248 HZ2 TRP 29 2HZ TRP 29 4.245 -4.984 -2.221 249 HZ3 TRP 29 3HZ TRP 29 5.264 -8.313 0.278 250 HH2 TRP 29 HH TRP 29 5.850 -6.745 -1.541 251 H LEU 30 H LEU 30 -2.465 -8.211 1.106 252 HA LEU 30 HA LEU 30 -3.431 -8.466 3.760 253 HB2 LEU 30 2HB LEU 30 -4.663 -8.723 1.043 254 HB3 LEU 30 1HB LEU 30 -5.556 -9.363 2.422 255 HG LEU 30 HG LEU 30 -5.224 -7.089 3.553 256 HD11 LEU 30 1HD1 LEU 30 -4.712 -6.045 0.783 257 HD12 LEU 30 2HD1 LEU 30 -3.363 -6.478 1.834 258 HD13 LEU 30 3HD1 LEU 30 -4.503 -5.231 2.328 259 HD21 LEU 30 1HD2 LEU 30 -7.373 -7.681 2.561 260 HD22 LEU 30 2HD2 LEU 30 -6.790 -7.227 0.959 261 HD23 LEU 30 3HD2 LEU 30 -7.009 -5.990 2.198 262 H LYS 31 H LYS 31 -2.830 -10.889 1.223 263 HA LYS 31 HA LYS 31 -3.845 -13.101 2.622 264 HB2 LYS 31 2HB LYS 31 -3.288 -13.139 0.228 265 HB3 LYS 31 1HB LYS 31 -1.580 -12.962 0.623 266 HG2 LYS 31 2HG LYS 31 -1.976 -15.293 0.208 267 HG3 LYS 31 1HG LYS 31 -1.751 -15.117 1.940 268 HD2 LYS 31 2HD LYS 31 -4.070 -15.350 2.384 269 HD3 LYS 31 1HD LYS 31 -4.504 -15.080 0.693 270 HE2 LYS 31 2HE LYS 31 -4.687 -17.453 1.134 271 HE3 LYS 31 1HE LYS 31 -3.259 -17.208 0.130 272 HZ1 LYS 31 1HZ LYS 31 -1.906 -17.873 1.762 273 HZ2 LYS 31 2HZ LYS 31 -3.292 -18.536 2.487 274 HZ3 LYS 31 3HZ LYS 31 -2.739 -16.999 2.954 275 H SER 32 H SER 32 -0.617 -11.633 2.545 276 HA SER 32 HA SER 32 0.737 -13.497 4.151 277 HB2 SER 32 2HB SER 32 2.046 -11.890 2.982 278 HB3 SER 32 1HB SER 32 1.132 -10.545 3.657 279 HG SER 32 HG SER 32 2.822 -10.588 4.967 280 H GLY 33 H GLY 33 -1.055 -10.530 5.024 281 HA2 GLY 33 2HA GLY 33 -2.348 -10.346 7.040 282 HA3 GLY 33 1HA GLY 33 -1.301 -11.550 7.783 283 H ALA 34 H ALA 34 0.350 -9.198 5.943 284 HA ALA 34 HA ALA 34 1.846 -8.245 8.136 285 HB1 ALA 34 1HB ALA 34 1.519 -7.414 5.267 286 HB2 ALA 34 2HB ALA 34 2.950 -8.044 6.082 287 HB3 ALA 34 3HB ALA 34 2.428 -6.386 6.373 288 H THR 35 H THR 35 2.038 -5.619 8.203 289 HA THR 35 HA THR 35 -0.650 -4.719 9.056 290 HB THR 35 HB THR 35 0.506 -3.082 10.428 291 HG1 THR 35 1HG THR 35 2.759 -3.039 10.457 292 HG21 THR 35 1HG2 THR 35 0.244 -5.526 11.146 293 HG22 THR 35 2HG2 THR 35 1.412 -4.554 12.038 294 HG23 THR 35 3HG2 THR 35 1.967 -5.688 10.806 295 H TYR 36 H TYR 36 -1.344 -2.612 8.515 296 HA TYR 36 HA TYR 36 -0.953 -1.842 5.848 297 HB2 TYR 36 2HB TYR 36 -1.935 -0.032 8.050 298 HB3 TYR 36 1HB TYR 36 -2.339 0.039 6.338 299 HD1 TYR 36 1HD TYR 36 -3.099 -2.550 5.494 300 HD2 TYR 36 2HD TYR 36 -3.695 -0.753 9.350 301 HE1 TYR 36 1HE TYR 36 -5.004 -4.077 5.910 302 HE2 TYR 36 2HE TYR 36 -5.599 -2.294 9.768 303 HH TYR 36 HH TYR 36 -7.128 -4.007 7.395 304 H GLU 37 H GLU 37 0.419 -0.560 8.849 305 HA GLU 37 HA GLU 37 1.840 1.598 7.727 306 HB2 GLU 37 2HB GLU 37 1.433 1.322 10.141 307 HB3 GLU 37 1HB GLU 37 2.544 -0.046 10.172 308 HG2 GLU 37 2HG GLU 37 4.363 1.443 9.369 309 HG3 GLU 37 1HG GLU 37 3.229 2.790 9.360 310 H GLN 38 H GLN 38 2.934 -1.697 8.510 311 HA GLN 38 HA GLN 38 5.544 -1.328 7.613 312 HB2 GLN 38 2HB GLN 38 4.744 -3.235 8.954 313 HB3 GLN 38 1HB GLN 38 3.895 -3.854 7.536 314 HG2 GLN 38 2HG GLN 38 6.053 -3.952 6.312 315 HG3 GLN 38 1HG GLN 38 6.885 -3.394 7.762 316 HE21 GLN 38 1HE2 GLN 38 8.027 -5.216 8.439 317 HE22 GLN 38 2HE2 GLN 38 7.338 -6.743 8.703 318 H ILE 39 H ILE 39 2.643 -2.342 5.842 319 HA ILE 39 HA ILE 39 3.947 -3.003 3.455 320 HB ILE 39 HB ILE 39 1.126 -2.087 3.997 321 HG12 ILE 39 2HG1 ILE 39 2.111 -4.857 3.318 322 HG13 ILE 39 1HG1 ILE 39 2.136 -4.289 4.982 323 HG21 ILE 39 1HG2 ILE 39 1.629 -1.740 1.630 324 HG22 ILE 39 2HG2 ILE 39 0.652 -3.192 1.791 325 HG23 ILE 39 3HG2 ILE 39 2.393 -3.326 1.529 326 HD11 ILE 39 1HD1 ILE 39 -0.306 -3.699 4.731 327 HD12 ILE 39 2HD1 ILE 39 0.008 -5.413 4.630 328 HD13 ILE 39 3HD1 ILE 39 -0.282 -4.473 3.163 329 H LYS 40 H LYS 40 2.489 0.142 4.536 330 HA LYS 40 HA LYS 40 3.134 1.371 2.028 331 HB2 LYS 40 2HB LYS 40 2.992 3.575 3.171 332 HB3 LYS 40 1HB LYS 40 1.522 2.579 3.268 333 HG2 LYS 40 2HG LYS 40 1.900 2.037 5.508 334 HG3 LYS 40 1HG LYS 40 3.601 2.537 5.443 335 HD2 LYS 40 2HD LYS 40 1.459 4.572 4.835 336 HD3 LYS 40 1HD LYS 40 1.764 4.145 6.520 337 HE2 LYS 40 2HE LYS 40 4.222 4.633 6.103 338 HE3 LYS 40 1HE LYS 40 3.755 5.262 4.524 339 HZ1 LYS 40 1HZ LYS 40 2.050 6.440 6.339 340 HZ2 LYS 40 2HZ LYS 40 3.346 7.177 5.524 341 HZ3 LYS 40 3HZ LYS 40 3.581 6.503 7.066 342 H GLU 41 H GLU 41 4.852 0.920 5.068 343 HA GLU 41 HA GLU 41 6.953 2.668 4.689 344 HB2 GLU 41 2HB GLU 41 6.616 1.367 6.758 345 HB3 GLU 41 1HB GLU 41 7.084 -0.099 5.896 346 HG2 GLU 41 2HG GLU 41 9.287 0.856 5.427 347 HG3 GLU 41 1HG GLU 41 8.824 2.356 6.227 348 H TRP 42 H TRP 42 6.646 -0.747 3.638 349 HA TRP 42 HA TRP 42 9.127 -0.899 2.309 350 HB2 TRP 42 2HB TRP 42 6.522 -2.293 1.647 351 HB3 TRP 42 1HB TRP 42 8.078 -2.709 0.950 352 HD1 TRP 42 HD TRP 42 9.758 -2.536 3.751 353 HE1 TRP 42 1HE TRP 42 9.437 -4.455 5.444 354 HE3 TRP 42 3HE TRP 42 5.271 -4.406 2.157 355 HZ2 TRP 42 2HZ TRP 42 7.542 -6.492 6.048 356 HZ3 TRP 42 3HZ TRP 42 4.232 -6.338 3.307 357 HH2 TRP 42 HH TRP 42 5.367 -7.387 5.249 358 H ILE 43 H ILE 43 5.923 0.045 1.198 359 HA ILE 43 HA ILE 43 6.570 0.389 -1.526 360 HB ILE 43 HB ILE 43 4.449 1.667 0.186 361 HG12 ILE 43 2HG1 ILE 43 4.296 -0.524 -1.887 362 HG13 ILE 43 1HG1 ILE 43 4.464 -0.827 -0.158 363 HG21 ILE 43 1HG2 ILE 43 4.853 1.733 -2.815 364 HG22 ILE 43 2HG2 ILE 43 4.744 3.118 -1.729 365 HG23 ILE 43 3HG2 ILE 43 3.323 2.118 -2.028 366 HD11 ILE 43 1HD1 ILE 43 2.337 0.010 0.334 367 HD12 ILE 43 2HD1 ILE 43 2.063 -0.776 -1.223 368 HD13 ILE 43 3HD1 ILE 43 2.265 0.973 -1.138 369 H GLU 44 H GLU 44 6.537 2.830 1.078 370 HA GLU 44 HA GLU 44 7.256 4.897 -0.686 371 HB2 GLU 44 2HB GLU 44 7.378 6.311 1.236 372 HB3 GLU 44 1HB GLU 44 6.009 5.217 1.428 373 HG2 GLU 44 2HG GLU 44 6.815 4.518 3.407 374 HG3 GLU 44 1HG GLU 44 8.263 3.923 2.613 375 H ASN 45 H ASN 45 9.200 2.637 1.290 376 HA ASN 45 HA ASN 45 11.674 3.984 0.963 377 HB2 ASN 45 2HB ASN 45 10.916 1.102 1.473 378 HB3 ASN 45 1HB ASN 45 12.602 1.592 1.282 379 HD21 ASN 45 1HD2 ASN 45 11.626 0.572 3.794 380 HD22 ASN 45 2HD2 ASN 45 11.673 1.836 4.928 381 H ALA 46 H ALA 46 9.980 1.523 -0.991 382 HA ALA 46 HA ALA 46 12.028 1.152 -2.913 383 HB1 ALA 46 1HB ALA 46 9.040 0.708 -2.967 384 HB2 ALA 46 2HB ALA 46 10.320 -0.501 -2.845 385 HB3 ALA 46 3HB ALA 46 10.057 0.361 -4.361 386 H LEU 47 H LEU 47 9.245 3.339 -2.754 387 HA LEU 47 HA LEU 47 9.435 4.489 -5.299 388 HB2 LEU 47 2HB LEU 47 7.666 4.723 -3.392 389 HB3 LEU 47 1HB LEU 47 8.662 6.080 -2.874 390 HG LEU 47 HG LEU 47 7.555 5.759 -5.680 391 HD11 LEU 47 1HD1 LEU 47 5.663 6.088 -4.281 392 HD12 LEU 47 2HD1 LEU 47 6.050 7.685 -4.919 393 HD13 LEU 47 3HD1 LEU 47 6.514 7.260 -3.271 394 HD21 LEU 47 1HD2 LEU 47 8.062 8.370 -5.483 395 HD22 LEU 47 2HD2 LEU 47 9.323 7.229 -5.941 396 HD23 LEU 47 3HD2 LEU 47 9.231 7.816 -4.278 397 H GLY 48 H GLY 48 10.948 5.458 -2.198 398 HA2 GLY 48 2HA GLY 48 12.247 7.770 -3.172 399 HA3 GLY 48 1HA GLY 48 12.720 6.849 -1.747 400 H TRP 49 H TRP 49 13.268 4.378 -2.959 401 HA TRP 49 HA TRP 49 15.914 4.752 -3.878 402 HB2 TRP 49 2HB TRP 49 15.354 2.713 -2.737 403 HB3 TRP 49 1HB TRP 49 14.067 2.355 -3.887 404 HD1 TRP 49 HD TRP 49 14.699 0.882 -5.885 405 HE1 TRP 49 1HE TRP 49 16.905 0.057 -6.935 406 HE3 TRP 49 3HE TRP 49 18.045 3.516 -3.083 407 HZ2 TRP 49 2HZ TRP 49 19.721 0.467 -6.630 408 HZ3 TRP 49 3HZ TRP 49 20.480 3.289 -3.482 409 HH2 TRP 49 HH TRP 49 21.324 1.767 -5.249 410 H ARG 50 H ARG 50 12.863 4.023 -5.522 411 HA ARG 50 HA ARG 50 14.136 3.922 -8.137 412 HB2 ARG 50 2HB ARG 50 12.201 2.463 -7.573 413 HB3 ARG 50 1HB ARG 50 11.204 3.905 -7.401 414 HG2 ARG 50 2HG ARG 50 11.668 4.519 -9.748 415 HG3 ARG 50 1HG ARG 50 12.661 3.073 -9.933 416 HD2 ARG 50 2HD ARG 50 10.655 1.702 -9.303 417 HD3 ARG 50 1HD ARG 50 9.697 3.179 -9.331 418 HE ARG 50 HE ARG 50 11.175 2.747 -11.770 419 HH11 ARG 50 1HH1 ARG 50 9.943 2.276 -13.603 420 HH12 ARG 50 2HH1 ARG 50 8.286 1.804 -13.433 421 HH21 ARG 50 1HH2 ARG 50 8.316 2.009 -9.966 422 HH22 ARG 50 2HH2 ARG 50 7.361 1.650 -11.365 Start of MODEL 14 1 H FME 1 H FME 1 -11.084 -4.678 2.535 2 HCN FME 1 HF FME 1 -13.404 -4.767 2.269 3 HA FME 1 HA FME 1 -9.535 -4.031 0.968 4 HB2 FME 1 1HB FME 1 -11.668 -3.788 -1.136 5 HB3 FME 1 2HB FME 1 -11.147 -5.380 -0.587 6 HG2 FME 1 1HG FME 1 -8.848 -4.887 -1.196 7 HG3 FME 1 2HG FME 1 -9.268 -3.218 -1.583 8 HE1 FME 1 1HE FME 1 -7.706 -4.288 -3.384 9 HE2 FME 1 2HE FME 1 -8.636 -3.157 -4.363 10 HE3 FME 1 3HE FME 1 -8.356 -4.795 -4.949 11 H ALA 2 H ALA 2 -12.656 -2.355 0.851 12 HA ALA 2 HA ALA 2 -11.718 0.103 -0.172 13 HB1 ALA 2 1HB ALA 2 -13.810 1.046 0.609 14 HB2 ALA 2 2HB ALA 2 -14.070 -0.328 1.686 15 HB3 ALA 2 3HB ALA 2 -14.113 -0.553 -0.064 16 H GLY 3 H GLY 3 -12.020 -1.064 3.183 17 HA2 GLY 3 2HA GLY 3 -11.347 1.384 4.439 18 HA3 GLY 3 1HA GLY 3 -11.158 -0.217 5.151 19 H LEU 4 H LEU 4 -9.410 -1.310 3.233 20 HA LEU 4 HA LEU 4 -6.892 -0.542 4.213 21 HB2 LEU 4 2HB LEU 4 -7.453 -2.763 3.253 22 HB3 LEU 4 1HB LEU 4 -7.647 -2.031 1.672 23 HG LEU 4 HG LEU 4 -5.423 -3.292 2.344 24 HD11 LEU 4 1HD1 LEU 4 -5.761 -0.826 0.679 25 HD12 LEU 4 2HD1 LEU 4 -5.478 -2.485 0.184 26 HD13 LEU 4 3HD1 LEU 4 -4.164 -1.535 0.869 27 HD21 LEU 4 1HD2 LEU 4 -4.699 -0.494 3.235 28 HD22 LEU 4 2HD2 LEU 4 -3.675 -1.916 3.226 29 HD23 LEU 4 3HD2 LEU 4 -5.021 -1.814 4.356 30 H LEU 5 H LEU 5 -8.532 0.185 1.147 31 HA LEU 5 HA LEU 5 -6.488 1.753 -0.006 32 HB2 LEU 5 2HB LEU 5 -9.485 1.728 -0.424 33 HB3 LEU 5 1HB LEU 5 -8.375 2.670 -1.419 34 HG LEU 5 HG LEU 5 -8.178 -0.332 -1.029 35 HD11 LEU 5 1HD1 LEU 5 -9.424 1.313 -3.247 36 HD12 LEU 5 2HD1 LEU 5 -10.207 0.092 -2.247 37 HD13 LEU 5 3HD1 LEU 5 -8.992 -0.386 -3.431 38 HD21 LEU 5 1HD2 LEU 5 -6.049 0.297 -1.706 39 HD22 LEU 5 2HD2 LEU 5 -6.626 1.729 -2.556 40 HD23 LEU 5 3HD2 LEU 5 -6.821 0.134 -3.283 41 H ARG 6 H ARG 6 -9.304 2.626 1.976 42 HA ARG 6 HA ARG 6 -8.978 5.413 1.853 43 HB2 ARG 6 2HB ARG 6 -11.000 4.293 2.713 44 HB3 ARG 6 1HB ARG 6 -10.093 3.750 4.123 45 HG2 ARG 6 2HG ARG 6 -9.950 6.675 3.573 46 HG3 ARG 6 1HG ARG 6 -11.536 6.075 4.040 47 HD2 ARG 6 2HD ARG 6 -8.994 5.542 5.610 48 HD3 ARG 6 1HD ARG 6 -10.135 6.829 5.979 49 HE ARG 6 HE ARG 6 -11.610 4.471 5.886 50 HH11 ARG 6 1HH1 ARG 6 -12.059 3.296 7.778 51 HH12 ARG 6 2HH1 ARG 6 -11.062 3.504 9.178 52 HH21 ARG 6 1HH2 ARG 6 -8.982 5.835 7.706 53 HH22 ARG 6 2HH2 ARG 6 -9.337 4.929 9.140 54 H PHE 7 H PHE 7 -7.689 3.019 4.159 55 HA PHE 7 HA PHE 7 -6.442 4.806 5.906 56 HB2 PHE 7 2HB PHE 7 -6.768 2.412 6.394 57 HB3 PHE 7 1HB PHE 7 -5.611 1.998 5.131 58 HD1 PHE 7 1HD PHE 7 -3.308 1.945 5.572 59 HD2 PHE 7 2HD PHE 7 -5.956 3.892 8.337 60 HE1 PHE 7 1HE PHE 7 -1.443 2.185 7.187 61 HE2 PHE 7 2HE PHE 7 -4.086 4.135 9.954 62 HZ PHE 7 HZ PHE 7 -1.831 3.277 9.378 63 H LEU 8 H LEU 8 -5.230 3.204 2.964 64 HA LEU 8 HA LEU 8 -2.595 4.213 3.177 65 HB2 LEU 8 2HB LEU 8 -4.233 3.178 0.875 66 HB3 LEU 8 1HB LEU 8 -2.610 3.818 0.623 67 HG LEU 8 HG LEU 8 -3.081 1.771 2.775 68 HD11 LEU 8 1HD1 LEU 8 -4.093 0.765 0.812 69 HD12 LEU 8 2HD1 LEU 8 -2.509 0.025 1.063 70 HD13 LEU 8 3HD1 LEU 8 -2.723 1.246 -0.192 71 HD21 LEU 8 1HD2 LEU 8 -0.680 1.851 0.977 72 HD22 LEU 8 2HD2 LEU 8 -0.789 1.484 2.696 73 HD23 LEU 8 3HD2 LEU 8 -0.866 3.154 2.152 74 H LEU 9 H LEU 9 -5.484 5.469 1.555 75 HA LEU 9 HA LEU 9 -4.253 7.690 0.323 76 HB2 LEU 9 2HB LEU 9 -6.629 6.620 0.048 77 HB3 LEU 9 1HB LEU 9 -7.084 7.771 1.302 78 HG LEU 9 HG LEU 9 -5.678 8.522 -1.278 79 HD11 LEU 9 1HD1 LEU 9 -7.882 7.715 -1.824 80 HD12 LEU 9 2HD1 LEU 9 -7.946 9.478 -1.854 81 HD13 LEU 9 3HD1 LEU 9 -8.593 8.594 -0.472 82 HD21 LEU 9 1HD2 LEU 9 -6.706 10.023 1.112 83 HD22 LEU 9 2HD2 LEU 9 -6.781 10.799 -0.471 84 HD23 LEU 9 3HD2 LEU 9 -5.231 10.281 0.183 85 H SER 10 H SER 10 -5.824 7.332 3.497 86 HA SER 10 HA SER 10 -5.648 10.014 4.307 87 HB2 SER 10 2HB SER 10 -5.553 7.496 5.988 88 HB3 SER 10 1HB SER 10 -5.837 9.121 6.609 89 HG SER 10 HG SER 10 -7.417 8.449 4.474 90 H LYS 11 H LYS 11 -3.296 7.336 4.587 91 HA LYS 11 HA LYS 11 -1.404 8.896 6.087 92 HB2 LYS 11 2HB LYS 11 -1.077 6.366 4.468 93 HB3 LYS 11 1HB LYS 11 0.206 7.074 5.448 94 HG2 LYS 11 2HG LYS 11 -2.507 6.259 6.537 95 HG3 LYS 11 1HG LYS 11 -1.076 5.238 6.604 96 HD2 LYS 11 2HD LYS 11 0.047 7.278 7.792 97 HD3 LYS 11 1HD LYS 11 -1.607 7.826 8.061 98 HE2 LYS 11 2HE LYS 11 -2.167 5.729 9.178 99 HE3 LYS 11 1HE LYS 11 -0.541 5.114 8.877 100 HZ1 LYS 11 1HZ LYS 11 -0.092 7.507 10.066 101 HZ2 LYS 11 2HZ LYS 11 -0.054 5.998 10.848 102 HZ3 LYS 11 3HZ LYS 11 -1.465 6.945 10.891 103 H GLY 12 H GLY 12 -1.745 8.123 2.648 104 HA2 GLY 12 2HA GLY 12 -0.409 10.543 1.872 105 HA3 GLY 12 1HA GLY 12 0.579 9.112 1.589 106 H ARG 13 H ARG 13 -0.202 10.678 -0.544 107 HA ARG 13 HA ARG 13 -2.522 9.397 -1.804 108 HB2 ARG 13 2HB ARG 13 -2.195 11.847 -2.030 109 HB3 ARG 13 1HB ARG 13 -0.671 11.546 -2.865 110 HG2 ARG 13 2HG ARG 13 -1.876 10.291 -4.617 111 HG3 ARG 13 1HG ARG 13 -3.403 10.593 -3.785 112 HD2 ARG 13 2HD ARG 13 -2.939 13.057 -3.999 113 HD3 ARG 13 1HD ARG 13 -1.547 12.656 -4.998 114 HE ARG 13 HE ARG 13 -3.776 11.352 -6.090 115 HH11 ARG 13 1HH1 ARG 13 -4.837 12.274 -7.876 116 HH12 ARG 13 2HH1 ARG 13 -4.673 13.968 -8.195 117 HH21 ARG 13 1HH2 ARG 13 -2.593 14.540 -5.477 118 HH22 ARG 13 2HH2 ARG 13 -3.401 15.252 -6.832 119 H ALA 14 H ALA 14 0.976 9.475 -1.964 120 HA ALA 14 HA ALA 14 1.341 8.208 -4.455 121 HB1 ALA 14 1HB ALA 14 3.161 7.735 -2.108 122 HB2 ALA 14 2HB ALA 14 3.060 9.333 -2.845 123 HB3 ALA 14 3HB ALA 14 3.577 7.948 -3.808 124 H LEU 15 H LEU 15 0.984 6.906 -1.178 125 HA LEU 15 HA LEU 15 1.401 4.188 -1.770 126 HB2 LEU 15 2HB LEU 15 -0.478 5.278 0.320 127 HB3 LEU 15 1HB LEU 15 0.383 3.753 0.347 128 HG LEU 15 HG LEU 15 1.796 6.424 0.299 129 HD11 LEU 15 1HD1 LEU 15 0.573 6.454 2.325 130 HD12 LEU 15 2HD1 LEU 15 2.182 5.887 2.771 131 HD13 LEU 15 3HD1 LEU 15 0.851 4.738 2.612 132 HD21 LEU 15 1HD2 LEU 15 2.618 3.550 0.696 133 HD22 LEU 15 2HD2 LEU 15 3.578 4.858 1.378 134 HD23 LEU 15 3HD2 LEU 15 3.320 4.772 -0.361 135 H TYR 16 H TYR 16 -1.523 6.174 -1.740 136 HA TYR 16 HA TYR 16 -3.417 4.161 -2.276 137 HB2 TYR 16 2HB TYR 16 -4.078 6.356 -1.504 138 HB3 TYR 16 1HB TYR 16 -3.406 7.117 -2.939 139 HD1 TYR 16 1HD TYR 16 -4.883 7.663 -4.633 140 HD2 TYR 16 2HD TYR 16 -5.802 4.361 -2.046 141 HE1 TYR 16 1HE TYR 16 -7.053 7.362 -5.791 142 HE2 TYR 16 2HE TYR 16 -7.972 4.056 -3.206 143 HH TYR 16 HH TYR 16 -8.793 4.800 -5.826 144 H ASN 17 H ASN 17 -1.605 6.320 -4.438 145 HA ASN 17 HA ASN 17 -2.744 5.430 -6.848 146 HB2 ASN 17 2HB ASN 17 -0.093 6.681 -6.167 147 HB3 ASN 17 1HB ASN 17 -0.507 6.229 -7.821 148 HD21 ASN 17 1HD2 ASN 17 -0.116 8.960 -7.153 149 HD22 ASN 17 2HD2 ASN 17 -1.609 9.763 -7.243 150 H TRP 18 H TRP 18 0.115 4.334 -5.065 151 HA TRP 18 HA TRP 18 1.058 2.442 -6.892 152 HB2 TRP 18 2HB TRP 18 2.410 3.074 -4.997 153 HB3 TRP 18 1HB TRP 18 1.176 2.509 -3.867 154 HD1 TRP 18 HD TRP 18 1.152 0.011 -3.252 155 HE1 TRP 18 1HE TRP 18 2.602 -2.021 -3.900 156 HE3 TRP 18 3HE TRP 18 3.843 2.044 -7.084 157 HZ2 TRP 18 2HZ TRP 18 4.646 -2.689 -5.793 158 HZ3 TRP 18 3HZ TRP 18 5.538 0.698 -8.287 159 HH2 TRP 18 HH TRP 18 5.943 -1.665 -7.647 160 H ALA 19 H ALA 19 -1.237 2.086 -4.191 161 HA ALA 19 HA ALA 19 -1.661 -0.677 -4.459 162 HB1 ALA 19 1HB ALA 19 -3.344 1.571 -3.366 163 HB2 ALA 19 2HB ALA 19 -2.435 0.350 -2.474 164 HB3 ALA 19 3HB ALA 19 -3.899 -0.101 -3.346 165 H LYS 20 H LYS 20 -3.341 2.094 -5.916 166 HA LYS 20 HA LYS 20 -5.339 0.601 -7.243 167 HB2 LYS 20 2HB LYS 20 -5.451 3.053 -6.907 168 HB3 LYS 20 1HB LYS 20 -4.139 3.260 -8.067 169 HG2 LYS 20 2HG LYS 20 -5.505 2.208 -9.822 170 HG3 LYS 20 1HG LYS 20 -6.813 1.956 -8.666 171 HD2 LYS 20 2HD LYS 20 -6.975 4.402 -8.319 172 HD3 LYS 20 1HD LYS 20 -5.684 4.647 -9.498 173 HE2 LYS 20 2HE LYS 20 -7.064 3.584 -11.243 174 HE3 LYS 20 1HE LYS 20 -8.352 3.319 -10.067 175 HZ1 LYS 20 1HZ LYS 20 -7.745 5.979 -9.847 176 HZ2 LYS 20 2HZ LYS 20 -9.095 5.315 -10.638 177 HZ3 LYS 20 3HZ LYS 20 -7.689 5.684 -11.517 178 H SER 21 H SER 21 -2.152 1.727 -8.302 179 HA SER 21 HA SER 21 -2.312 0.862 -10.968 180 HB2 SER 21 2HB SER 21 0.107 1.137 -9.175 181 HB3 SER 21 1HB SER 21 0.164 0.937 -10.924 182 HG SER 21 HG SER 21 0.154 3.169 -9.905 183 H HIS 22 H HIS 22 -1.184 -0.835 -8.043 184 HA HIS 22 HA HIS 22 -1.262 -3.360 -9.599 185 HB2 HIS 22 2HB HIS 22 0.767 -2.428 -7.566 186 HB3 HIS 22 1HB HIS 22 0.586 -4.119 -8.033 187 HD1 HIS 22 1HD HIS 22 1.465 -0.739 -9.500 188 HD2 HIS 22 2HD HIS 22 1.672 -4.772 -10.531 189 HE1 HIS 22 1HE HIS 22 2.847 -0.866 -11.617 190 HE2 HIS 22 2HE HIS 22 2.981 -3.319 -12.261 191 H VAL 23 H VAL 23 -3.330 -3.843 -8.872 192 HA VAL 23 HA VAL 23 -4.066 -3.792 -6.124 193 HB VAL 23 HB VAL 23 -6.009 -5.127 -6.839 194 HG11 VAL 23 1HG1 VAL 23 -6.920 -3.519 -8.450 195 HG12 VAL 23 2HG1 VAL 23 -5.292 -2.966 -8.848 196 HG13 VAL 23 3HG1 VAL 23 -5.957 -2.669 -7.242 197 HG21 VAL 23 1HG2 VAL 23 -6.131 -5.686 -9.322 198 HG22 VAL 23 2HG2 VAL 23 -4.989 -6.655 -8.391 199 HG23 VAL 23 3HG2 VAL 23 -4.405 -5.334 -9.402 200 H GLY 24 H GLY 24 -2.336 -5.965 -8.155 201 HA2 GLY 24 2HA GLY 24 -2.709 -8.389 -6.775 202 HA3 GLY 24 1HA GLY 24 -1.311 -7.985 -7.773 203 H LYS 25 H LYS 25 -0.351 -5.765 -6.341 204 HA LYS 25 HA LYS 25 1.214 -7.009 -4.351 205 HB2 LYS 25 2HB LYS 25 0.624 -4.071 -4.809 206 HB3 LYS 25 1HB LYS 25 1.895 -4.695 -3.760 207 HG2 LYS 25 2HG LYS 25 1.766 -5.580 -6.630 208 HG3 LYS 25 1HG LYS 25 2.490 -4.025 -6.223 209 HD2 LYS 25 2HD LYS 25 3.987 -5.195 -4.598 210 HD3 LYS 25 1HD LYS 25 3.328 -6.734 -5.145 211 HE2 LYS 25 2HE LYS 25 4.671 -4.725 -6.967 212 HE3 LYS 25 1HE LYS 25 5.473 -6.137 -6.278 213 HZ1 LYS 25 1HZ LYS 25 3.489 -7.402 -7.290 214 HZ2 LYS 25 2HZ LYS 25 4.756 -6.907 -8.309 215 HZ3 LYS 25 3HZ LYS 25 3.303 -6.026 -8.264 216 H VAL 26 H VAL 26 -1.721 -5.051 -4.195 217 HA VAL 26 HA VAL 26 -1.912 -4.737 -1.410 218 HB VAL 26 HB VAL 26 -3.996 -4.827 -3.588 219 HG11 VAL 26 1HG1 VAL 26 -5.228 -5.501 -1.674 220 HG12 VAL 26 2HG1 VAL 26 -5.457 -3.754 -1.749 221 HG13 VAL 26 3HG1 VAL 26 -4.306 -4.441 -0.605 222 HG21 VAL 26 1HG2 VAL 26 -3.972 -2.464 -3.409 223 HG22 VAL 26 2HG2 VAL 26 -2.271 -2.919 -3.313 224 HG23 VAL 26 3HG2 VAL 26 -3.157 -2.509 -1.845 225 H TRP 27 H TRP 27 -3.225 -7.185 -3.594 226 HA TRP 27 HA TRP 27 -4.544 -8.713 -1.614 227 HB2 TRP 27 2HB TRP 27 -3.469 -9.424 -4.347 228 HB3 TRP 27 1HB TRP 27 -4.311 -10.594 -3.326 229 HD1 TRP 27 HD TRP 27 -4.983 -8.135 -5.911 230 HE1 TRP 27 1HE TRP 27 -7.469 -7.453 -5.943 231 HE3 TRP 27 3HE TRP 27 -6.478 -10.039 -1.414 232 HZ2 TRP 27 2HZ TRP 27 -9.786 -7.681 -4.278 233 HZ3 TRP 27 3HZ TRP 27 -8.826 -9.792 -0.661 234 HH2 TRP 27 HH TRP 27 -10.480 -8.618 -2.087 235 H GLU 28 H GLU 28 -1.296 -8.921 -2.992 236 HA GLU 28 HA GLU 28 -0.425 -11.250 -1.761 237 HB2 GLU 28 2HB GLU 28 0.726 -9.724 -3.538 238 HB3 GLU 28 1HB GLU 28 1.417 -8.907 -2.135 239 HG2 GLU 28 2HG GLU 28 1.596 -11.886 -2.658 240 HG3 GLU 28 1HG GLU 28 2.885 -10.733 -2.989 241 H TRP 29 H TRP 29 -0.175 -7.865 -0.550 242 HA TRP 29 HA TRP 29 1.160 -8.665 1.841 243 HB2 TRP 29 2HB TRP 29 -0.573 -6.218 1.714 244 HB3 TRP 29 1HB TRP 29 0.883 -6.501 2.652 245 HD1 TRP 29 HD TRP 29 -0.124 -4.504 -0.052 246 HE1 TRP 29 1HE TRP 29 1.774 -3.971 -1.703 247 HE3 TRP 29 3HE TRP 29 3.292 -7.988 1.409 248 HZ2 TRP 29 2HZ TRP 29 4.406 -4.896 -2.317 249 HZ3 TRP 29 3HZ TRP 29 5.489 -8.122 0.293 250 HH2 TRP 29 HH TRP 29 6.057 -6.589 -1.564 251 H LEU 30 H LEU 30 -2.272 -8.230 1.038 252 HA LEU 30 HA LEU 30 -3.211 -8.466 3.705 253 HB2 LEU 30 2HB LEU 30 -4.555 -9.036 1.060 254 HB3 LEU 30 1HB LEU 30 -5.389 -9.151 2.610 255 HG LEU 30 HG LEU 30 -3.932 -6.668 1.648 256 HD11 LEU 30 1HD1 LEU 30 -6.779 -7.586 1.366 257 HD12 LEU 30 2HD1 LEU 30 -5.754 -6.765 0.190 258 HD13 LEU 30 3HD1 LEU 30 -6.436 -5.865 1.546 259 HD21 LEU 30 1HD2 LEU 30 -5.671 -5.793 3.518 260 HD22 LEU 30 2HD2 LEU 30 -4.055 -6.354 3.937 261 HD23 LEU 30 3HD2 LEU 30 -5.436 -7.433 4.122 262 H LYS 31 H LYS 31 -2.601 -10.901 1.193 263 HA LYS 31 HA LYS 31 -3.583 -13.132 2.619 264 HB2 LYS 31 2HB LYS 31 -3.088 -13.138 0.183 265 HB3 LYS 31 1HB LYS 31 -1.366 -13.073 0.558 266 HG2 LYS 31 2HG LYS 31 -1.534 -15.194 1.784 267 HG3 LYS 31 1HG LYS 31 -3.267 -15.257 1.462 268 HD2 LYS 31 2HD LYS 31 -2.828 -15.331 -0.959 269 HD3 LYS 31 1HD LYS 31 -1.093 -15.245 -0.654 270 HE2 LYS 31 2HE LYS 31 -1.735 -17.568 -1.042 271 HE3 LYS 31 1HE LYS 31 -1.254 -17.372 0.643 272 HZ1 LYS 31 1HZ LYS 31 -3.322 -18.643 0.376 273 HZ2 LYS 31 2HZ LYS 31 -4.054 -17.287 -0.342 274 HZ3 LYS 31 3HZ LYS 31 -3.550 -17.225 1.279 275 H SER 32 H SER 32 -0.365 -11.651 2.439 276 HA SER 32 HA SER 32 0.942 -13.588 4.050 277 HB2 SER 32 2HB SER 32 2.706 -11.878 4.263 278 HB3 SER 32 1HB SER 32 2.173 -12.047 2.592 279 HG SER 32 HG SER 32 2.341 -9.840 3.479 280 H GLY 33 H GLY 33 -1.165 -10.937 4.792 281 HA2 GLY 33 2HA GLY 33 -2.152 -10.480 6.863 282 HA3 GLY 33 1HA GLY 33 -1.035 -11.617 7.613 283 H ALA 34 H ALA 34 0.347 -9.306 5.499 284 HA ALA 34 HA ALA 34 2.024 -8.211 7.494 285 HB1 ALA 34 1HB ALA 34 2.454 -6.462 5.624 286 HB2 ALA 34 2HB ALA 34 1.418 -7.498 4.639 287 HB3 ALA 34 3HB ALA 34 2.906 -8.143 5.334 288 H THR 35 H THR 35 2.154 -6.004 8.192 289 HA THR 35 HA THR 35 -0.439 -4.952 8.952 290 HB THR 35 HB THR 35 0.863 -3.388 10.317 291 HG1 THR 35 1HG THR 35 3.152 -3.559 10.205 292 HG21 THR 35 1HG2 THR 35 1.728 -6.288 10.342 293 HG22 THR 35 2HG2 THR 35 0.505 -5.513 11.346 294 HG23 THR 35 3HG2 THR 35 2.212 -5.148 11.598 295 H TYR 36 H TYR 36 -1.208 -2.885 8.498 296 HA TYR 36 HA TYR 36 -0.897 -1.974 5.865 297 HB2 TYR 36 2HB TYR 36 -1.911 -0.364 8.202 298 HB3 TYR 36 1HB TYR 36 -2.297 -0.143 6.496 299 HD1 TYR 36 1HD TYR 36 -3.036 -2.572 5.365 300 HD2 TYR 36 2HD TYR 36 -3.613 -1.341 9.442 301 HE1 TYR 36 1HE TYR 36 -4.926 -4.148 5.573 302 HE2 TYR 36 2HE TYR 36 -5.511 -2.920 9.643 303 HH TYR 36 HH TYR 36 -6.290 -4.991 8.561 304 H GLU 37 H GLU 37 0.515 -0.840 8.887 305 HA GLU 37 HA GLU 37 1.764 1.458 7.831 306 HB2 GLU 37 2HB GLU 37 1.400 1.057 10.247 307 HB3 GLU 37 1HB GLU 37 2.611 -0.223 10.200 308 HG2 GLU 37 2HG GLU 37 4.317 1.403 9.493 309 HG3 GLU 37 1HG GLU 37 3.107 2.684 9.479 310 H GLN 38 H GLN 38 3.064 -1.814 8.450 311 HA GLN 38 HA GLN 38 5.655 -1.302 7.524 312 HB2 GLN 38 2HB GLN 38 5.030 -3.286 8.791 313 HB3 GLN 38 1HB GLN 38 4.077 -3.878 7.434 314 HG2 GLN 38 2HG GLN 38 6.095 -3.940 6.046 315 HG3 GLN 38 1HG GLN 38 7.060 -3.342 7.393 316 HE21 GLN 38 1HE2 GLN 38 8.105 -4.983 8.497 317 HE22 GLN 38 2HE2 GLN 38 7.519 -6.564 8.689 318 H ILE 39 H ILE 39 2.752 -2.360 5.775 319 HA ILE 39 HA ILE 39 4.001 -2.849 3.299 320 HB ILE 39 HB ILE 39 1.152 -2.067 3.969 321 HG12 ILE 39 2HG1 ILE 39 2.255 -4.771 3.212 322 HG13 ILE 39 1HG1 ILE 39 2.321 -4.220 4.878 323 HG21 ILE 39 1HG2 ILE 39 0.640 -3.065 1.747 324 HG22 ILE 39 2HG2 ILE 39 2.368 -3.275 1.447 325 HG23 ILE 39 3HG2 ILE 39 1.679 -1.650 1.571 326 HD11 ILE 39 1HD1 ILE 39 -0.163 -4.516 3.171 327 HD12 ILE 39 2HD1 ILE 39 -0.145 -3.795 4.768 328 HD13 ILE 39 3HD1 ILE 39 0.270 -5.486 4.580 329 H LYS 40 H LYS 40 2.447 0.219 4.565 330 HA LYS 40 HA LYS 40 3.008 1.521 2.067 331 HB2 LYS 40 2HB LYS 40 2.799 3.704 3.190 332 HB3 LYS 40 1HB LYS 40 1.368 2.656 3.427 333 HG2 LYS 40 2HG LYS 40 2.117 2.070 5.662 334 HG3 LYS 40 1HG LYS 40 3.637 2.935 5.423 335 HD2 LYS 40 2HD LYS 40 2.376 5.049 5.137 336 HD3 LYS 40 1HD LYS 40 0.867 4.178 5.419 337 HE2 LYS 40 2HE LYS 40 1.929 5.394 7.433 338 HE3 LYS 40 1HE LYS 40 1.421 3.722 7.675 339 HZ1 LYS 40 1HZ LYS 40 4.158 4.289 6.765 340 HZ2 LYS 40 2HZ LYS 40 3.569 2.969 7.657 341 HZ3 LYS 40 3HZ LYS 40 3.777 4.479 8.409 342 H GLU 41 H GLU 41 4.797 1.037 5.063 343 HA GLU 41 HA GLU 41 6.830 2.886 4.686 344 HB2 GLU 41 2HB GLU 41 6.553 1.503 6.712 345 HB3 GLU 41 1HB GLU 41 7.073 0.094 5.795 346 HG2 GLU 41 2HG GLU 41 9.243 1.150 5.360 347 HG3 GLU 41 1HG GLU 41 8.727 2.590 6.236 348 H TRP 42 H TRP 42 6.615 -0.506 3.564 349 HA TRP 42 HA TRP 42 9.070 -0.557 2.174 350 HB2 TRP 42 2HB TRP 42 6.498 -2.034 1.546 351 HB3 TRP 42 1HB TRP 42 8.043 -2.363 0.788 352 HD1 TRP 42 HD TRP 42 9.812 -2.202 3.530 353 HE1 TRP 42 1HE TRP 42 9.638 -4.175 5.164 354 HE3 TRP 42 3HE TRP 42 5.360 -4.203 2.019 355 HZ2 TRP 42 2HZ TRP 42 7.839 -6.334 5.761 356 HZ3 TRP 42 3HZ TRP 42 4.434 -6.214 3.137 357 HH2 TRP 42 HH TRP 42 5.675 -7.281 5.006 358 H ILE 43 H ILE 43 5.807 0.310 1.145 359 HA ILE 43 HA ILE 43 6.443 0.672 -1.576 360 HB ILE 43 HB ILE 43 4.263 1.835 0.148 361 HG12 ILE 43 2HG1 ILE 43 4.245 -0.328 -1.981 362 HG13 ILE 43 1HG1 ILE 43 4.383 -0.646 -0.251 363 HG21 ILE 43 1HG2 ILE 43 4.726 2.040 -2.842 364 HG22 ILE 43 2HG2 ILE 43 4.517 3.363 -1.697 365 HG23 ILE 43 3HG2 ILE 43 3.154 2.317 -2.089 366 HD11 ILE 43 1HD1 ILE 43 2.027 -0.782 -1.259 367 HD12 ILE 43 2HD1 ILE 43 2.103 0.975 -1.388 368 HD13 ILE 43 3HD1 ILE 43 2.212 0.202 0.193 369 H GLU 44 H GLU 44 6.355 3.070 1.069 370 HA GLU 44 HA GLU 44 6.971 5.189 -0.676 371 HB2 GLU 44 2HB GLU 44 7.153 6.593 1.270 372 HB3 GLU 44 1HB GLU 44 5.758 5.516 1.462 373 HG2 GLU 44 2HG GLU 44 6.590 4.720 3.393 374 HG3 GLU 44 1HG GLU 44 8.074 4.227 2.602 375 H ASN 45 H ASN 45 8.996 2.986 1.234 376 HA ASN 45 HA ASN 45 11.447 4.357 0.880 377 HB2 ASN 45 2HB ASN 45 11.119 2.490 2.485 378 HB3 ASN 45 1HB ASN 45 10.956 1.379 1.125 379 HD21 ASN 45 1HD2 ASN 45 12.907 0.181 1.440 380 HD22 ASN 45 2HD2 ASN 45 14.444 0.890 1.333 381 H ALA 46 H ALA 46 9.790 1.861 -1.072 382 HA ALA 46 HA ALA 46 11.826 1.541 -3.007 383 HB1 ALA 46 1HB ALA 46 9.879 0.006 -2.678 384 HB2 ALA 46 2HB ALA 46 10.107 0.497 -4.357 385 HB3 ALA 46 3HB ALA 46 8.841 1.245 -3.383 386 H LEU 47 H LEU 47 8.981 3.651 -2.836 387 HA LEU 47 HA LEU 47 9.160 4.797 -5.377 388 HB2 LEU 47 2HB LEU 47 7.347 4.940 -3.514 389 HB3 LEU 47 1HB LEU 47 8.269 6.323 -2.939 390 HG LEU 47 HG LEU 47 7.281 6.062 -5.800 391 HD11 LEU 47 1HD1 LEU 47 5.396 6.155 -4.131 392 HD12 LEU 47 2HD1 LEU 47 5.456 7.547 -5.213 393 HD13 LEU 47 3HD1 LEU 47 6.047 7.694 -3.560 394 HD21 LEU 47 1HD2 LEU 47 8.716 8.159 -4.205 395 HD22 LEU 47 2HD2 LEU 47 7.573 8.698 -5.434 396 HD23 LEU 47 3HD2 LEU 47 8.941 7.681 -5.886 397 H GLY 48 H GLY 48 10.617 5.821 -2.265 398 HA2 GLY 48 2HA GLY 48 11.820 8.196 -3.185 399 HA3 GLY 48 1HA GLY 48 12.350 7.260 -1.790 400 H TRP 49 H TRP 49 12.997 4.859 -3.083 401 HA TRP 49 HA TRP 49 14.901 5.409 -5.210 402 HB2 TRP 49 2HB TRP 49 16.838 4.595 -4.050 403 HB3 TRP 49 1HB TRP 49 16.162 5.910 -3.093 404 HD1 TRP 49 HD TRP 49 14.898 5.239 -0.812 405 HE1 TRP 49 1HE TRP 49 15.126 3.148 0.686 406 HE3 TRP 49 3HE TRP 49 17.163 2.062 -4.086 407 HZ2 TRP 49 2HZ TRP 49 16.140 0.472 0.509 408 HZ3 TRP 49 3HZ TRP 49 17.750 -0.248 -3.409 409 HH2 TRP 49 HH TRP 49 17.241 -1.047 -1.118 410 H ARG 50 H ARG 50 15.850 3.386 -6.048 411 HA ARG 50 HA ARG 50 15.112 0.830 -5.134 412 HB2 ARG 50 2HB ARG 50 13.448 0.187 -6.835 413 HB3 ARG 50 1HB ARG 50 12.818 1.456 -5.782 414 HG2 ARG 50 2HG ARG 50 13.439 3.145 -7.489 415 HG3 ARG 50 1HG ARG 50 14.017 1.855 -8.543 416 HD2 ARG 50 2HD ARG 50 11.179 2.057 -7.492 417 HD3 ARG 50 1HD ARG 50 11.688 2.612 -9.083 418 HE ARG 50 HE ARG 50 12.502 -0.051 -8.837 419 HH11 ARG 50 1HH1 ARG 50 11.278 -1.680 -9.786 420 HH12 ARG 50 2HH1 ARG 50 9.595 -1.431 -10.111 421 HH21 ARG 50 1HH2 ARG 50 9.569 1.805 -8.839 422 HH22 ARG 50 2HH2 ARG 50 8.621 0.552 -9.571 Start of MODEL 15 1 H FME 1 H FME 1 -11.846 -5.188 1.426 2 HCN FME 1 HF FME 1 -12.080 -4.274 3.565 3 HA FME 1 HA FME 1 -9.361 -4.163 0.909 4 HB2 FME 1 1HB FME 1 -11.640 -4.057 -1.074 5 HB3 FME 1 2HB FME 1 -10.784 -5.542 -0.654 6 HG2 FME 1 1HG FME 1 -8.651 -4.469 -1.363 7 HG3 FME 1 2HG FME 1 -9.552 -3.030 -1.841 8 HE1 FME 1 1HE FME 1 -8.908 -3.061 -4.514 9 HE2 FME 1 2HE FME 1 -8.440 -4.631 -5.164 10 HE3 FME 1 3HE FME 1 -7.730 -4.064 -3.655 11 H ALA 2 H ALA 2 -12.463 -2.451 0.721 12 HA ALA 2 HA ALA 2 -11.514 -0.012 -0.323 13 HB1 ALA 2 1HB ALA 2 -13.855 -0.387 1.560 14 HB2 ALA 2 2HB ALA 2 -13.928 -0.678 -0.178 15 HB3 ALA 2 3HB ALA 2 -13.608 0.947 0.432 16 H GLY 3 H GLY 3 -11.870 -1.162 3.009 17 HA2 GLY 3 2HA GLY 3 -11.236 1.234 4.326 18 HA3 GLY 3 1HA GLY 3 -10.988 -0.377 4.981 19 H LEU 4 H LEU 4 -9.204 -1.400 3.147 20 HA LEU 4 HA LEU 4 -6.748 -0.537 4.133 21 HB2 LEU 4 2HB LEU 4 -7.249 -2.778 3.226 22 HB3 LEU 4 1HB LEU 4 -7.411 -2.095 1.622 23 HG LEU 4 HG LEU 4 -5.188 -3.295 2.359 24 HD11 LEU 4 1HD1 LEU 4 -5.631 -2.092 0.203 25 HD12 LEU 4 2HD1 LEU 4 -3.956 -2.033 0.740 26 HD13 LEU 4 3HD1 LEU 4 -4.996 -0.627 0.949 27 HD21 LEU 4 1HD2 LEU 4 -4.905 -1.858 4.392 28 HD22 LEU 4 2HD2 LEU 4 -4.606 -0.487 3.331 29 HD23 LEU 4 3HD2 LEU 4 -3.510 -1.863 3.322 30 H LEU 5 H LEU 5 -8.325 0.125 1.018 31 HA LEU 5 HA LEU 5 -6.280 1.724 -0.115 32 HB2 LEU 5 2HB LEU 5 -9.280 1.681 -0.517 33 HB3 LEU 5 1HB LEU 5 -8.175 2.618 -1.522 34 HG LEU 5 HG LEU 5 -7.997 -0.381 -1.106 35 HD11 LEU 5 1HD1 LEU 5 -10.027 0.171 -2.358 36 HD12 LEU 5 2HD1 LEU 5 -8.829 -0.526 -3.449 37 HD13 LEU 5 3HD1 LEU 5 -9.102 1.215 -3.439 38 HD21 LEU 5 1HD2 LEU 5 -6.593 0.081 -3.355 39 HD22 LEU 5 2HD2 LEU 5 -5.854 0.189 -1.756 40 HD23 LEU 5 3HD2 LEU 5 -6.375 1.654 -2.583 41 H ARG 6 H ARG 6 -9.141 2.539 1.839 42 HA ARG 6 HA ARG 6 -8.908 5.345 1.768 43 HB2 ARG 6 2HB ARG 6 -10.867 4.074 2.697 44 HB3 ARG 6 1HB ARG 6 -9.883 3.678 4.107 45 HG2 ARG 6 2HG ARG 6 -9.522 6.367 4.077 46 HG3 ARG 6 1HG ARG 6 -11.100 6.291 3.312 47 HD2 ARG 6 2HD ARG 6 -10.399 5.009 5.964 48 HD3 ARG 6 1HD ARG 6 -11.278 6.521 5.765 49 HE ARG 6 HE ARG 6 -12.308 3.838 5.314 50 HH11 ARG 6 1HH1 ARG 6 -14.533 3.744 4.839 51 HH12 ARG 6 2HH1 ARG 6 -15.392 5.202 4.468 52 HH21 ARG 6 1HH2 ARG 6 -12.610 7.242 4.823 53 HH22 ARG 6 2HH2 ARG 6 -14.302 7.186 4.453 54 H PHE 7 H PHE 7 -7.582 2.961 4.033 55 HA PHE 7 HA PHE 7 -6.364 4.737 5.806 56 HB2 PHE 7 2HB PHE 7 -6.690 2.327 6.239 57 HB3 PHE 7 1HB PHE 7 -5.497 1.949 4.996 58 HD1 PHE 7 1HD PHE 7 -3.200 1.890 5.513 59 HD2 PHE 7 2HD PHE 7 -5.939 3.819 8.199 60 HE1 PHE 7 1HE PHE 7 -1.384 2.140 7.182 61 HE2 PHE 7 2HE PHE 7 -4.123 4.072 9.870 62 HZ PHE 7 HZ PHE 7 -1.847 3.232 9.362 63 H LEU 8 H LEU 8 -5.071 3.161 2.867 64 HA LEU 8 HA LEU 8 -2.470 4.242 3.137 65 HB2 LEU 8 2HB LEU 8 -3.971 3.335 0.682 66 HB3 LEU 8 1HB LEU 8 -2.288 3.837 0.647 67 HG LEU 8 HG LEU 8 -3.214 1.686 2.553 68 HD11 LEU 8 1HD1 LEU 8 -2.785 -0.021 0.940 69 HD12 LEU 8 2HD1 LEU 8 -2.084 1.130 -0.201 70 HD13 LEU 8 3HD1 LEU 8 -3.821 1.142 0.111 71 HD21 LEU 8 1HD2 LEU 8 -0.522 1.593 1.283 72 HD22 LEU 8 2HD2 LEU 8 -0.983 1.358 2.960 73 HD23 LEU 8 3HD2 LEU 8 -0.791 2.977 2.322 74 H LEU 9 H LEU 9 -5.357 5.430 1.485 75 HA LEU 9 HA LEU 9 -4.183 7.688 0.272 76 HB2 LEU 9 2HB LEU 9 -6.532 6.566 -0.035 77 HB3 LEU 9 1HB LEU 9 -7.016 7.681 1.240 78 HG LEU 9 HG LEU 9 -5.618 8.510 -1.316 79 HD11 LEU 9 1HD1 LEU 9 -7.919 7.563 -1.660 80 HD12 LEU 9 2HD1 LEU 9 -7.784 9.264 -2.104 81 HD13 LEU 9 3HD1 LEU 9 -8.543 8.806 -0.579 82 HD21 LEU 9 1HD2 LEU 9 -6.807 10.746 -0.429 83 HD22 LEU 9 2HD2 LEU 9 -5.203 10.269 0.117 84 HD23 LEU 9 3HD2 LEU 9 -6.609 9.933 1.125 85 H SER 10 H SER 10 -5.783 7.291 3.425 86 HA SER 10 HA SER 10 -5.670 9.985 4.211 87 HB2 SER 10 2HB SER 10 -6.988 8.273 5.412 88 HB3 SER 10 1HB SER 10 -5.493 7.517 5.956 89 HG SER 10 HG SER 10 -5.211 9.074 7.359 90 H LYS 11 H LYS 11 -3.288 7.338 4.585 91 HA LYS 11 HA LYS 11 -1.464 8.926 6.114 92 HB2 LYS 11 2HB LYS 11 -1.004 6.373 4.534 93 HB3 LYS 11 1HB LYS 11 0.168 7.102 5.630 94 HG2 LYS 11 2HG LYS 11 -2.622 6.273 6.480 95 HG3 LYS 11 1HG LYS 11 -1.200 5.249 6.672 96 HD2 LYS 11 2HD LYS 11 -0.184 7.337 7.894 97 HD3 LYS 11 1HD LYS 11 -1.868 7.843 8.055 98 HE2 LYS 11 2HE LYS 11 -2.413 5.705 9.147 99 HE3 LYS 11 1HE LYS 11 -0.731 5.197 8.997 100 HZ1 LYS 11 1HZ LYS 11 -0.027 6.834 10.483 101 HZ2 LYS 11 2HZ LYS 11 -1.448 6.228 11.189 102 HZ3 LYS 11 3HZ LYS 11 -1.473 7.713 10.361 103 H GLY 12 H GLY 12 -1.659 8.132 2.656 104 HA2 GLY 12 2HA GLY 12 -0.349 10.576 1.940 105 HA3 GLY 12 1HA GLY 12 0.692 9.176 1.704 106 H ARG 13 H ARG 13 -0.131 10.795 -0.413 107 HA ARG 13 HA ARG 13 -2.340 9.512 -1.800 108 HB2 ARG 13 2HB ARG 13 -0.390 11.680 -2.577 109 HB3 ARG 13 1HB ARG 13 -1.649 11.074 -3.656 110 HG2 ARG 13 2HG ARG 13 -3.368 11.688 -2.002 111 HG3 ARG 13 1HG ARG 13 -2.112 12.284 -0.913 112 HD2 ARG 13 2HD ARG 13 -1.414 13.931 -2.610 113 HD3 ARG 13 1HD ARG 13 -2.664 13.343 -3.702 114 HE ARG 13 HE ARG 13 -3.956 14.056 -1.342 115 HH11 ARG 13 1HH1 ARG 13 -4.917 16.097 -1.122 116 HH12 ARG 13 2HH1 ARG 13 -4.384 17.418 -2.108 117 HH21 ARG 13 1HH2 ARG 13 -2.015 15.544 -3.810 118 HH22 ARG 13 2HH2 ARG 13 -2.749 17.103 -3.629 119 H ALA 14 H ALA 14 1.154 9.498 -1.798 120 HA ALA 14 HA ALA 14 1.618 8.225 -4.260 121 HB1 ALA 14 1HB ALA 14 3.135 8.557 -1.710 122 HB2 ALA 14 2HB ALA 14 3.563 9.057 -3.344 123 HB3 ALA 14 3HB ALA 14 3.722 7.367 -2.871 124 H LEU 15 H LEU 15 1.080 6.885 -1.001 125 HA LEU 15 HA LEU 15 1.477 4.182 -1.641 126 HB2 LEU 15 2HB LEU 15 -0.497 5.266 0.384 127 HB3 LEU 15 1HB LEU 15 0.322 3.707 0.414 128 HG LEU 15 HG LEU 15 1.800 6.356 0.497 129 HD11 LEU 15 1HD1 LEU 15 2.119 5.710 2.950 130 HD12 LEU 15 2HD1 LEU 15 0.748 4.618 2.724 131 HD13 LEU 15 3HD1 LEU 15 0.542 6.357 2.490 132 HD21 LEU 15 1HD2 LEU 15 2.554 3.453 0.805 133 HD22 LEU 15 2HD2 LEU 15 3.509 4.729 1.550 134 HD23 LEU 15 3HD2 LEU 15 3.304 4.704 -0.195 135 H TYR 16 H TYR 16 -1.448 6.198 -1.689 136 HA TYR 16 HA TYR 16 -3.303 4.183 -2.347 137 HB2 TYR 16 2HB TYR 16 -4.021 6.345 -1.546 138 HB3 TYR 16 1HB TYR 16 -3.308 7.150 -2.933 139 HD1 TYR 16 1HD TYR 16 -4.690 7.682 -4.720 140 HD2 TYR 16 2HD TYR 16 -5.783 4.425 -2.142 141 HE1 TYR 16 1HE TYR 16 -6.819 7.420 -5.954 142 HE2 TYR 16 2HE TYR 16 -7.909 4.152 -3.388 143 HH TYR 16 HH TYR 16 -8.694 4.712 -5.812 144 H ASN 17 H ASN 17 -1.395 6.373 -4.399 145 HA ASN 17 HA ASN 17 -2.476 5.536 -6.869 146 HB2 ASN 17 2HB ASN 17 0.145 6.788 -6.069 147 HB3 ASN 17 1HB ASN 17 -0.180 6.344 -7.743 148 HD21 ASN 17 1HD2 ASN 17 0.157 9.066 -6.820 149 HD22 ASN 17 2HD2 ASN 17 -1.315 9.872 -7.069 150 H TRP 18 H TRP 18 0.310 4.375 -5.000 151 HA TRP 18 HA TRP 18 1.268 2.484 -6.838 152 HB2 TRP 18 2HB TRP 18 2.605 3.097 -4.932 153 HB3 TRP 18 1HB TRP 18 1.355 2.540 -3.820 154 HD1 TRP 18 HD TRP 18 1.309 0.033 -3.202 155 HE1 TRP 18 1HE TRP 18 2.723 -2.016 -3.861 156 HE3 TRP 18 3HE TRP 18 4.023 2.031 -7.047 157 HZ2 TRP 18 2HZ TRP 18 4.738 -2.712 -5.760 158 HZ3 TRP 18 3HZ TRP 18 5.683 0.643 -8.261 159 HH2 TRP 18 HH TRP 18 6.044 -1.725 -7.625 160 H ALA 19 H ALA 19 -1.097 2.144 -4.205 161 HA ALA 19 HA ALA 19 -1.555 -0.618 -4.485 162 HB1 ALA 19 1HB ALA 19 -2.391 0.332 -2.511 163 HB2 ALA 19 2HB ALA 19 -3.851 0.022 -3.448 164 HB3 ALA 19 3HB ALA 19 -3.180 1.653 -3.370 165 H LYS 20 H LYS 20 -3.118 2.172 -6.017 166 HA LYS 20 HA LYS 20 -5.125 0.732 -7.401 167 HB2 LYS 20 2HB LYS 20 -5.128 3.196 -7.050 168 HB3 LYS 20 1HB LYS 20 -3.795 3.327 -8.194 169 HG2 LYS 20 2HG LYS 20 -5.191 2.323 -9.957 170 HG3 LYS 20 1HG LYS 20 -6.527 2.174 -8.817 171 HD2 LYS 20 2HD LYS 20 -6.555 4.627 -8.521 172 HD3 LYS 20 1HD LYS 20 -5.216 4.777 -9.661 173 HE2 LYS 20 2HE LYS 20 -7.332 5.208 -10.814 174 HE3 LYS 20 1HE LYS 20 -6.620 3.712 -11.412 175 HZ1 LYS 20 1HZ LYS 20 -8.332 3.341 -9.136 176 HZ2 LYS 20 2HZ LYS 20 -8.301 2.512 -10.618 177 HZ3 LYS 20 3HZ LYS 20 -9.143 3.981 -10.481 178 H SER 21 H SER 21 -1.866 1.781 -8.324 179 HA SER 21 HA SER 21 -1.928 0.910 -10.986 180 HB2 SER 21 2HB SER 21 0.437 1.133 -9.115 181 HB3 SER 21 1HB SER 21 0.534 0.980 -10.868 182 HG SER 21 HG SER 21 -1.172 2.908 -10.395 183 H HIS 22 H HIS 22 -0.938 -0.803 -8.029 184 HA HIS 22 HA HIS 22 -1.012 -3.334 -9.577 185 HB2 HIS 22 2HB HIS 22 0.902 -2.658 -7.328 186 HB3 HIS 22 1HB HIS 22 0.859 -4.150 -8.262 187 HD1 HIS 22 1HD HIS 22 1.298 -3.840 -10.927 188 HD2 HIS 22 2HD HIS 22 2.479 -0.676 -8.481 189 HE1 HIS 22 1HE HIS 22 2.899 -2.433 -12.296 190 HE2 HIS 22 2HE HIS 22 3.628 -0.499 -10.821 191 H VAL 23 H VAL 23 -3.120 -3.728 -8.894 192 HA VAL 23 HA VAL 23 -3.953 -3.675 -6.181 193 HB VAL 23 HB VAL 23 -5.870 -5.016 -6.977 194 HG11 VAL 23 1HG1 VAL 23 -6.517 -3.442 -8.903 195 HG12 VAL 23 2HG1 VAL 23 -4.925 -2.715 -8.690 196 HG13 VAL 23 3HG1 VAL 23 -6.095 -2.681 -7.368 197 HG21 VAL 23 1HG2 VAL 23 -5.839 -5.454 -9.549 198 HG22 VAL 23 2HG2 VAL 23 -4.978 -6.585 -8.501 199 HG23 VAL 23 3HG2 VAL 23 -4.086 -5.346 -9.387 200 H GLY 24 H GLY 24 -2.190 -5.902 -8.140 201 HA2 GLY 24 2HA GLY 24 -2.621 -8.283 -6.705 202 HA3 GLY 24 1HA GLY 24 -1.209 -7.930 -7.689 203 H LYS 25 H LYS 25 -0.219 -5.674 -6.277 204 HA LYS 25 HA LYS 25 1.291 -6.913 -4.247 205 HB2 LYS 25 2HB LYS 25 0.704 -3.963 -4.661 206 HB3 LYS 25 1HB LYS 25 1.984 -4.608 -3.637 207 HG2 LYS 25 2HG LYS 25 1.812 -5.350 -6.555 208 HG3 LYS 25 1HG LYS 25 2.608 -3.861 -6.047 209 HD2 LYS 25 2HD LYS 25 4.120 -5.185 -4.588 210 HD3 LYS 25 1HD LYS 25 3.348 -6.671 -5.137 211 HE2 LYS 25 2HE LYS 25 3.992 -6.163 -7.459 212 HE3 LYS 25 1HE LYS 25 4.778 -4.683 -6.916 213 HZ1 LYS 25 1HZ LYS 25 6.013 -7.042 -7.143 214 HZ2 LYS 25 2HZ LYS 25 5.558 -7.085 -5.506 215 HZ3 LYS 25 3HZ LYS 25 6.516 -5.811 -6.091 216 H VAL 26 H VAL 26 -1.614 -4.907 -4.124 217 HA VAL 26 HA VAL 26 -1.832 -4.663 -1.337 218 HB VAL 26 HB VAL 26 -3.926 -4.658 -3.493 219 HG11 VAL 26 1HG1 VAL 26 -5.085 -5.292 -1.501 220 HG12 VAL 26 2HG1 VAL 26 -5.324 -3.550 -1.651 221 HG13 VAL 26 3HG1 VAL 26 -4.136 -4.184 -0.509 222 HG21 VAL 26 1HG2 VAL 26 -3.775 -2.294 -3.340 223 HG22 VAL 26 2HG2 VAL 26 -2.101 -2.845 -3.295 224 HG23 VAL 26 3HG2 VAL 26 -2.914 -2.369 -1.804 225 H TRP 27 H TRP 27 -3.167 -7.023 -3.582 226 HA TRP 27 HA TRP 27 -4.568 -8.557 -1.671 227 HB2 TRP 27 2HB TRP 27 -3.444 -9.212 -4.387 228 HB3 TRP 27 1HB TRP 27 -4.307 -10.405 -3.420 229 HD1 TRP 27 HD TRP 27 -4.944 -7.952 -5.991 230 HE1 TRP 27 1HE TRP 27 -7.423 -7.243 -6.038 231 HE3 TRP 27 3HE TRP 27 -6.475 -9.791 -1.475 232 HZ2 TRP 27 2HZ TRP 27 -9.745 -7.431 -4.373 233 HZ3 TRP 27 3HZ TRP 27 -8.817 -9.505 -0.730 234 HH2 TRP 27 HH TRP 27 -10.455 -8.330 -2.174 235 H GLU 28 H GLU 28 -1.297 -8.848 -2.980 236 HA GLU 28 HA GLU 28 -0.555 -11.229 -1.764 237 HB2 GLU 28 2HB GLU 28 0.763 -10.085 -3.534 238 HB3 GLU 28 1HB GLU 28 1.229 -8.854 -2.366 239 HG2 GLU 28 2HG GLU 28 2.315 -10.532 -0.972 240 HG3 GLU 28 1HG GLU 28 1.780 -11.818 -2.048 241 H TRP 29 H TRP 29 -0.211 -7.860 -0.527 242 HA TRP 29 HA TRP 29 1.066 -8.729 1.871 243 HB2 TRP 29 2HB TRP 29 -0.611 -6.246 1.812 244 HB3 TRP 29 1HB TRP 29 0.844 -6.576 2.720 245 HD1 TRP 29 HD TRP 29 -0.135 -4.449 0.121 246 HE1 TRP 29 1HE TRP 29 1.753 -3.898 -1.536 247 HE3 TRP 29 3HE TRP 29 3.179 -8.128 1.322 248 HZ2 TRP 29 2HZ TRP 29 4.346 -4.863 -2.234 249 HZ3 TRP 29 3HZ TRP 29 5.347 -8.268 0.166 250 HH2 TRP 29 HH TRP 29 5.946 -6.654 -1.604 251 H LEU 30 H LEU 30 -2.341 -8.188 1.030 252 HA LEU 30 HA LEU 30 -3.368 -8.466 3.656 253 HB2 LEU 30 2HB LEU 30 -4.566 -8.867 0.924 254 HB3 LEU 30 1HB LEU 30 -5.499 -9.224 2.379 255 HG LEU 30 HG LEU 30 -4.114 -6.570 1.872 256 HD11 LEU 30 1HD1 LEU 30 -6.571 -5.811 1.569 257 HD12 LEU 30 2HD1 LEU 30 -6.911 -7.512 1.249 258 HD13 LEU 30 3HD1 LEU 30 -5.787 -6.627 0.217 259 HD21 LEU 30 1HD2 LEU 30 -5.793 -7.719 4.070 260 HD22 LEU 30 2HD2 LEU 30 -6.089 -6.033 3.649 261 HD23 LEU 30 3HD2 LEU 30 -4.482 -6.544 4.152 262 H LYS 31 H LYS 31 -2.747 -10.883 1.132 263 HA LYS 31 HA LYS 31 -3.791 -13.105 2.508 264 HB2 LYS 31 2HB LYS 31 -3.180 -13.094 0.087 265 HB3 LYS 31 1HB LYS 31 -1.476 -13.062 0.554 266 HG2 LYS 31 2HG LYS 31 -1.713 -15.195 1.712 267 HG3 LYS 31 1HG LYS 31 -3.446 -15.220 1.378 268 HD2 LYS 31 2HD LYS 31 -2.976 -15.235 -1.046 269 HD3 LYS 31 1HD LYS 31 -1.247 -15.239 -0.709 270 HE2 LYS 31 2HE LYS 31 -3.221 -17.393 0.111 271 HE3 LYS 31 1HE LYS 31 -2.029 -17.515 -1.182 272 HZ1 LYS 31 1HZ LYS 31 -1.511 -17.239 1.725 273 HZ2 LYS 31 2HZ LYS 31 -0.302 -17.069 0.543 274 HZ3 LYS 31 3HZ LYS 31 -1.115 -18.548 0.722 275 H SER 32 H SER 32 -0.552 -11.650 2.440 276 HA SER 32 HA SER 32 0.735 -13.564 4.044 277 HB2 SER 32 2HB SER 32 1.949 -11.889 2.725 278 HB3 SER 32 1HB SER 32 1.306 -10.606 3.744 279 HG SER 32 HG SER 32 2.552 -12.717 5.047 280 H GLY 33 H GLY 33 -1.000 -10.591 4.856 281 HA2 GLY 33 2HA GLY 33 -2.313 -10.361 6.827 282 HA3 GLY 33 1HA GLY 33 -1.306 -11.571 7.611 283 H ALA 34 H ALA 34 0.589 -9.434 5.846 284 HA ALA 34 HA ALA 34 2.054 -8.413 7.963 285 HB1 ALA 34 1HB ALA 34 1.535 -7.426 5.175 286 HB2 ALA 34 2HB ALA 34 3.012 -8.111 5.844 287 HB3 ALA 34 3HB ALA 34 2.521 -6.475 6.282 288 H THR 35 H THR 35 2.213 -5.834 8.168 289 HA THR 35 HA THR 35 -0.433 -4.970 9.170 290 HB THR 35 HB THR 35 0.790 -3.411 10.567 291 HG1 THR 35 1HG THR 35 3.146 -3.592 10.475 292 HG21 THR 35 1HG2 THR 35 2.309 -6.011 10.719 293 HG22 THR 35 2HG2 THR 35 0.598 -5.919 11.136 294 HG23 THR 35 3HG2 THR 35 1.776 -4.974 12.043 295 H TYR 36 H TYR 36 -1.217 -2.921 8.687 296 HA TYR 36 HA TYR 36 -0.882 -2.032 6.057 297 HB2 TYR 36 2HB TYR 36 -1.939 -0.426 8.388 298 HB3 TYR 36 1HB TYR 36 -2.278 -0.161 6.677 299 HD1 TYR 36 1HD TYR 36 -3.014 -2.574 5.466 300 HD2 TYR 36 2HD TYR 36 -3.677 -1.416 9.551 301 HE1 TYR 36 1HE TYR 36 -4.898 -4.176 5.606 302 HE2 TYR 36 2HE TYR 36 -5.565 -3.019 9.693 303 HH TYR 36 HH TYR 36 -7.219 -4.080 7.793 304 H GLU 37 H GLU 37 0.514 -0.777 9.069 305 HA GLU 37 HA GLU 37 1.793 1.455 7.924 306 HB2 GLU 37 2HB GLU 37 3.369 1.157 9.959 307 HB3 GLU 37 1HB GLU 37 1.667 1.530 10.245 308 HG2 GLU 37 2HG GLU 37 1.170 -0.812 10.683 309 HG3 GLU 37 1HG GLU 37 2.810 -1.281 10.245 310 H GLN 38 H GLN 38 3.042 -1.816 8.599 311 HA GLN 38 HA GLN 38 5.643 -1.389 7.651 312 HB2 GLN 38 2HB GLN 38 5.026 -3.330 8.966 313 HB3 GLN 38 1HB GLN 38 3.975 -3.902 7.675 314 HG2 GLN 38 2HG GLN 38 5.860 -4.182 6.183 315 HG3 GLN 38 1HG GLN 38 6.945 -3.442 7.358 316 HE21 GLN 38 1HE2 GLN 38 5.356 -6.422 6.458 317 HE22 GLN 38 2HE2 GLN 38 5.998 -7.362 7.717 318 H ILE 39 H ILE 39 2.716 -2.440 5.956 319 HA ILE 39 HA ILE 39 3.960 -2.990 3.487 320 HB ILE 39 HB ILE 39 1.104 -2.173 4.116 321 HG12 ILE 39 2HG1 ILE 39 2.191 -4.904 3.426 322 HG13 ILE 39 1HG1 ILE 39 2.245 -4.321 5.082 323 HG21 ILE 39 1HG2 ILE 39 1.660 -1.802 1.721 324 HG22 ILE 39 2HG2 ILE 39 0.620 -3.210 1.902 325 HG23 ILE 39 3HG2 ILE 39 2.351 -3.425 1.628 326 HD11 ILE 39 1HD1 ILE 39 0.199 -5.599 4.769 327 HD12 ILE 39 2HD1 ILE 39 -0.238 -4.620 3.373 328 HD13 ILE 39 3HD1 ILE 39 -0.208 -3.904 4.976 329 H LYS 40 H LYS 40 2.410 0.075 4.716 330 HA LYS 40 HA LYS 40 2.963 1.348 2.209 331 HB2 LYS 40 2HB LYS 40 2.756 3.557 3.339 332 HB3 LYS 40 1HB LYS 40 1.316 2.513 3.452 333 HG2 LYS 40 2HG LYS 40 1.813 1.925 5.709 334 HG3 LYS 40 1HG LYS 40 3.421 2.654 5.622 335 HD2 LYS 40 2HD LYS 40 2.395 4.876 5.293 336 HD3 LYS 40 1HD LYS 40 0.790 4.152 5.374 337 HE2 LYS 40 2HE LYS 40 2.725 3.719 7.633 338 HE3 LYS 40 1HE LYS 40 1.831 5.234 7.532 339 HZ1 LYS 40 1HZ LYS 40 0.744 3.409 8.846 340 HZ2 LYS 40 2HZ LYS 40 0.509 2.587 7.378 341 HZ3 LYS 40 3HZ LYS 40 -0.213 4.105 7.631 342 H GLU 41 H GLU 41 4.797 0.944 5.186 343 HA GLU 41 HA GLU 41 6.806 2.799 4.751 344 HB2 GLU 41 2HB GLU 41 6.551 1.438 6.812 345 HB3 GLU 41 1HB GLU 41 7.103 0.023 5.918 346 HG2 GLU 41 2HG GLU 41 9.010 0.921 7.082 347 HG3 GLU 41 1HG GLU 41 9.220 1.291 5.375 348 H TRP 42 H TRP 42 6.567 -0.608 3.646 349 HA TRP 42 HA TRP 42 9.002 -0.668 2.228 350 HB2 TRP 42 2HB TRP 42 6.411 -2.107 1.654 351 HB3 TRP 42 1HB TRP 42 7.937 -2.472 0.866 352 HD1 TRP 42 HD TRP 42 9.696 -2.257 3.670 353 HE1 TRP 42 1HE TRP 42 9.518 -4.242 5.298 354 HE3 TRP 42 3HE TRP 42 5.329 -4.348 2.044 355 HZ2 TRP 42 2HZ TRP 42 7.763 -6.425 5.842 356 HZ3 TRP 42 3HZ TRP 42 4.423 -6.384 3.129 357 HH2 TRP 42 HH TRP 42 5.642 -7.423 5.028 358 H ILE 43 H ILE 43 5.723 0.180 1.236 359 HA ILE 43 HA ILE 43 6.306 0.553 -1.505 360 HB ILE 43 HB ILE 43 4.111 1.692 0.229 361 HG12 ILE 43 2HG1 ILE 43 3.962 -0.421 -1.925 362 HG13 ILE 43 1HG1 ILE 43 4.257 -0.822 -0.236 363 HG21 ILE 43 1HG2 ILE 43 4.299 3.219 -1.607 364 HG22 ILE 43 2HG2 ILE 43 2.982 2.120 -2.014 365 HG23 ILE 43 3HG2 ILE 43 4.570 1.909 -2.756 366 HD11 ILE 43 1HD1 ILE 43 1.807 -0.886 -1.032 367 HD12 ILE 43 2HD1 ILE 43 1.902 0.869 -1.083 368 HD13 ILE 43 3HD1 ILE 43 2.141 0.021 0.440 369 H GLU 44 H GLU 44 6.239 2.951 1.141 370 HA GLU 44 HA GLU 44 6.779 5.078 -0.613 371 HB2 GLU 44 2HB GLU 44 7.024 6.485 1.322 372 HB3 GLU 44 1HB GLU 44 5.653 5.406 1.562 373 HG2 GLU 44 2HG GLU 44 6.535 4.658 3.491 374 HG3 GLU 44 1HG GLU 44 7.959 4.098 2.639 375 H ASN 45 H ASN 45 8.905 2.891 1.230 376 HA ASN 45 HA ASN 45 11.284 4.364 0.746 377 HB2 ASN 45 2HB ASN 45 11.181 2.528 2.370 378 HB3 ASN 45 1HB ASN 45 10.892 1.377 1.065 379 HD21 ASN 45 1HD2 ASN 45 13.210 1.332 2.866 380 HD22 ASN 45 2HD2 ASN 45 14.584 1.580 1.902 381 H ALA 46 H ALA 46 9.590 1.847 -1.148 382 HA ALA 46 HA ALA 46 11.546 1.651 -3.197 383 HB1 ALA 46 1HB ALA 46 9.878 0.471 -4.445 384 HB2 ALA 46 2HB ALA 46 8.581 1.184 -3.486 385 HB3 ALA 46 3HB ALA 46 9.682 0.022 -2.751 386 H LEU 47 H LEU 47 8.637 3.631 -2.827 387 HA LEU 47 HA LEU 47 8.574 4.848 -5.324 388 HB2 LEU 47 2HB LEU 47 6.971 4.949 -3.208 389 HB3 LEU 47 1HB LEU 47 7.906 6.390 -2.839 390 HG LEU 47 HG LEU 47 6.021 7.145 -4.080 391 HD11 LEU 47 1HD1 LEU 47 7.000 8.217 -5.953 392 HD12 LEU 47 2HD1 LEU 47 8.158 6.912 -6.201 393 HD13 LEU 47 3HD1 LEU 47 8.317 7.985 -4.807 394 HD21 LEU 47 1HD2 LEU 47 6.617 5.306 -6.390 395 HD22 LEU 47 2HD2 LEU 47 5.118 6.126 -5.982 396 HD23 LEU 47 3HD2 LEU 47 5.639 4.737 -5.040 397 H GLY 48 H GLY 48 10.318 5.852 -2.333 398 HA2 GLY 48 2HA GLY 48 11.368 8.253 -3.395 399 HA3 GLY 48 1HA GLY 48 12.027 7.358 -2.029 400 H TRP 49 H TRP 49 12.592 4.935 -3.308 401 HA TRP 49 HA TRP 49 14.268 5.492 -5.616 402 HB2 TRP 49 2HB TRP 49 16.301 4.498 -4.471 403 HB3 TRP 49 1HB TRP 49 15.858 6.127 -3.966 404 HD1 TRP 49 HD TRP 49 16.069 2.555 -2.737 405 HE1 TRP 49 1HE TRP 49 15.605 2.502 -0.198 406 HE3 TRP 49 3HE TRP 49 14.545 7.372 -2.028 407 HZ2 TRP 49 2HZ TRP 49 14.710 4.280 1.861 408 HZ3 TRP 49 3HZ TRP 49 13.899 8.171 0.226 409 HH2 TRP 49 HH TRP 49 13.979 6.633 2.170 410 H ARG 50 H ARG 50 15.098 3.568 -6.623 411 HA ARG 50 HA ARG 50 14.539 0.960 -5.613 412 HB2 ARG 50 2HB ARG 50 12.218 1.671 -6.119 413 HB3 ARG 50 1HB ARG 50 12.685 1.955 -7.796 414 HG2 ARG 50 2HG ARG 50 13.323 -0.404 -8.035 415 HG3 ARG 50 1HG ARG 50 12.906 -0.701 -6.348 416 HD2 ARG 50 2HD ARG 50 11.050 -1.411 -7.751 417 HD3 ARG 50 1HD ARG 50 10.565 0.015 -6.841 418 HE ARG 50 HE ARG 50 10.528 1.239 -8.841 419 HH11 ARG 50 1HH1 ARG 50 10.492 1.339 -11.111 420 HH12 ARG 50 2HH1 ARG 50 11.047 -0.012 -12.040 421 HH21 ARG 50 1HH2 ARG 50 11.832 -1.941 -9.269 422 HH22 ARG 50 2HH2 ARG 50 11.802 -1.867 -10.999 Start of MODEL 16 1 H FME 1 H FME 1 -12.858 -4.426 1.297 2 HCN FME 1 HF FME 1 -12.606 -4.516 3.613 3 HA FME 1 HA FME 1 -10.035 -3.851 1.081 4 HB2 FME 1 1HB FME 1 -12.189 -3.674 -1.046 5 HB3 FME 1 2HB FME 1 -11.284 -5.138 -0.652 6 HG2 FME 1 1HG FME 1 -9.166 -3.869 -1.146 7 HG3 FME 1 2HG FME 1 -10.159 -2.526 -1.711 8 HE1 FME 1 1HE FME 1 -7.888 -4.615 -3.108 9 HE2 FME 1 2HE FME 1 -8.369 -3.057 -3.774 10 HE3 FME 1 3HE FME 1 -8.470 -4.503 -4.775 11 H ALA 2 H ALA 2 -13.033 -2.021 0.973 12 HA ALA 2 HA ALA 2 -11.986 0.394 -0.050 13 HB1 ALA 2 1HB ALA 2 -14.018 1.381 0.615 14 HB2 ALA 2 2HB ALA 2 -14.219 0.262 1.964 15 HB3 ALA 2 3HB ALA 2 -14.444 -0.304 0.308 16 H GLY 3 H GLY 3 -12.237 -0.849 3.266 17 HA2 GLY 3 2HA GLY 3 -11.408 1.484 4.630 18 HA3 GLY 3 1HA GLY 3 -11.251 -0.166 5.233 19 H LEU 4 H LEU 4 -9.619 -1.229 3.271 20 HA LEU 4 HA LEU 4 -7.043 -0.564 4.165 21 HB2 LEU 4 2HB LEU 4 -7.791 -2.718 3.174 22 HB3 LEU 4 1HB LEU 4 -7.954 -1.935 1.625 23 HG LEU 4 HG LEU 4 -5.810 -3.360 2.251 24 HD11 LEU 4 1HD1 LEU 4 -5.871 -2.568 0.088 25 HD12 LEU 4 2HD1 LEU 4 -4.485 -1.683 0.722 26 HD13 LEU 4 3HD1 LEU 4 -6.055 -0.887 0.584 27 HD21 LEU 4 1HD2 LEU 4 -3.952 -2.028 3.038 28 HD22 LEU 4 2HD2 LEU 4 -5.247 -1.976 4.230 29 HD23 LEU 4 3HD2 LEU 4 -4.974 -0.606 3.170 30 H LEU 5 H LEU 5 -8.797 0.316 1.179 31 HA LEU 5 HA LEU 5 -6.708 1.809 -0.003 32 HB2 LEU 5 2HB LEU 5 -9.705 1.956 -0.308 33 HB3 LEU 5 1HB LEU 5 -8.575 2.852 -1.318 34 HG LEU 5 HG LEU 5 -8.544 -0.165 -1.005 35 HD11 LEU 5 1HD1 LEU 5 -9.592 1.459 -3.345 36 HD12 LEU 5 2HD1 LEU 5 -10.637 0.775 -2.100 37 HD13 LEU 5 3HD1 LEU 5 -9.682 -0.289 -3.135 38 HD21 LEU 5 1HD2 LEU 5 -7.289 0.298 -3.331 39 HD22 LEU 5 2HD2 LEU 5 -6.427 0.327 -1.795 40 HD23 LEU 5 3HD2 LEU 5 -6.932 1.839 -2.549 41 H ARG 6 H ARG 6 -9.409 2.755 2.099 42 HA ARG 6 HA ARG 6 -9.010 5.524 2.031 43 HB2 ARG 6 2HB ARG 6 -10.997 4.401 3.012 44 HB3 ARG 6 1HB ARG 6 -9.999 3.865 4.365 45 HG2 ARG 6 2HG ARG 6 -9.828 6.788 3.791 46 HG3 ARG 6 1HG ARG 6 -11.414 6.240 4.330 47 HD2 ARG 6 2HD ARG 6 -10.393 5.199 6.313 48 HD3 ARG 6 1HD ARG 6 -8.796 5.710 5.768 49 HE ARG 6 HE ARG 6 -9.337 7.928 6.364 50 HH11 ARG 6 1HH1 ARG 6 -10.585 9.379 7.597 51 HH12 ARG 6 2HH1 ARG 6 -12.158 8.908 8.146 52 HH21 ARG 6 1HH2 ARG 6 -12.021 5.770 6.682 53 HH22 ARG 6 2HH2 ARG 6 -12.968 6.863 7.631 54 H PHE 7 H PHE 7 -7.659 3.040 4.177 55 HA PHE 7 HA PHE 7 -6.234 4.722 5.904 56 HB2 PHE 7 2HB PHE 7 -6.706 2.280 6.233 57 HB3 PHE 7 1HB PHE 7 -5.484 1.924 5.017 58 HD1 PHE 7 1HD PHE 7 -3.178 1.885 5.576 59 HD2 PHE 7 2HD PHE 7 -6.030 3.589 8.313 60 HE1 PHE 7 1HE PHE 7 -1.418 2.038 7.315 61 HE2 PHE 7 2HE PHE 7 -4.262 3.749 10.043 62 HZ PHE 7 HZ PHE 7 -1.960 2.976 9.548 63 H LEU 8 H LEU 8 -5.250 3.109 2.868 64 HA LEU 8 HA LEU 8 -2.547 3.977 2.942 65 HB2 LEU 8 2HB LEU 8 -4.368 3.063 0.736 66 HB3 LEU 8 1HB LEU 8 -2.748 3.653 0.366 67 HG LEU 8 HG LEU 8 -3.091 1.592 2.541 68 HD11 LEU 8 1HD1 LEU 8 -4.325 0.655 0.660 69 HD12 LEU 8 2HD1 LEU 8 -2.752 -0.141 0.743 70 HD13 LEU 8 3HD1 LEU 8 -3.038 1.121 -0.453 71 HD21 LEU 8 1HD2 LEU 8 -0.920 1.911 0.447 72 HD22 LEU 8 2HD2 LEU 8 -0.835 1.005 1.957 73 HD23 LEU 8 3HD2 LEU 8 -0.877 2.764 1.987 74 H LEU 9 H LEU 9 -5.439 5.427 1.558 75 HA LEU 9 HA LEU 9 -4.180 7.609 0.290 76 HB2 LEU 9 2HB LEU 9 -6.503 6.865 -0.105 77 HB3 LEU 9 1HB LEU 9 -6.949 7.485 1.479 78 HG LEU 9 HG LEU 9 -6.180 9.745 0.794 79 HD11 LEU 9 1HD1 LEU 9 -5.994 9.884 -1.866 80 HD12 LEU 9 2HD1 LEU 9 -5.435 8.222 -1.678 81 HD13 LEU 9 3HD1 LEU 9 -4.580 9.537 -0.871 82 HD21 LEU 9 1HD2 LEU 9 -8.037 10.165 -0.837 83 HD22 LEU 9 2HD2 LEU 9 -8.542 9.172 0.529 84 HD23 LEU 9 3HD2 LEU 9 -8.215 8.420 -1.031 85 H SER 10 H SER 10 -5.635 7.283 3.516 86 HA SER 10 HA SER 10 -5.309 9.939 4.371 87 HB2 SER 10 2HB SER 10 -6.698 8.533 5.694 88 HB3 SER 10 1HB SER 10 -5.435 7.314 5.862 89 HG SER 10 HG SER 10 -5.087 8.374 7.668 90 H LYS 11 H LYS 11 -3.123 7.144 4.503 91 HA LYS 11 HA LYS 11 -1.103 8.535 5.988 92 HB2 LYS 11 2HB LYS 11 -0.938 6.033 4.294 93 HB3 LYS 11 1HB LYS 11 0.356 6.632 5.326 94 HG2 LYS 11 2HG LYS 11 -2.418 5.934 6.346 95 HG3 LYS 11 1HG LYS 11 -1.046 4.830 6.391 96 HD2 LYS 11 2HD LYS 11 0.182 6.772 7.620 97 HD3 LYS 11 1HD LYS 11 -1.442 7.400 7.912 98 HE2 LYS 11 2HE LYS 11 -2.108 5.356 9.015 99 HE3 LYS 11 1HE LYS 11 -0.570 4.589 8.619 100 HZ1 LYS 11 1HZ LYS 11 -1.065 6.836 10.476 101 HZ2 LYS 11 2HZ LYS 11 0.488 6.464 9.898 102 HZ3 LYS 11 3HZ LYS 11 -0.374 5.326 10.819 103 H GLY 12 H GLY 12 -1.510 7.871 2.521 104 HA2 GLY 12 2HA GLY 12 -0.040 10.225 1.815 105 HA3 GLY 12 1HA GLY 12 0.903 8.767 1.532 106 H ARG 13 H ARG 13 -0.148 10.712 -0.408 107 HA ARG 13 HA ARG 13 -2.331 9.485 -1.823 108 HB2 ARG 13 2HB ARG 13 -0.364 11.660 -2.561 109 HB3 ARG 13 1HB ARG 13 -1.636 11.092 -3.644 110 HG2 ARG 13 2HG ARG 13 -3.345 11.680 -2.002 111 HG3 ARG 13 1HG ARG 13 -2.103 12.180 -0.856 112 HD2 ARG 13 2HD ARG 13 -1.373 13.954 -2.416 113 HD3 ARG 13 1HD ARG 13 -2.607 13.448 -3.568 114 HE ARG 13 HE ARG 13 -3.908 13.966 -1.149 115 HH11 ARG 13 1HH1 ARG 13 -4.977 15.939 -0.851 116 HH12 ARG 13 2HH1 ARG 13 -4.510 17.326 -1.776 117 HH21 ARG 13 1HH2 ARG 13 -2.011 15.647 -3.521 118 HH22 ARG 13 2HH2 ARG 13 -2.816 17.164 -3.290 119 H ALA 14 H ALA 14 1.149 9.484 -1.906 120 HA ALA 14 HA ALA 14 1.546 8.231 -4.382 121 HB1 ALA 14 1HB ALA 14 3.146 8.608 -1.885 122 HB2 ALA 14 2HB ALA 14 3.505 9.142 -3.524 123 HB3 ALA 14 3HB ALA 14 3.731 7.450 -3.085 124 H LEU 15 H LEU 15 1.056 6.984 -1.116 125 HA LEU 15 HA LEU 15 1.546 4.263 -1.615 126 HB2 LEU 15 2HB LEU 15 -0.454 5.395 0.348 127 HB3 LEU 15 1HB LEU 15 0.389 3.858 0.448 128 HG LEU 15 HG LEU 15 1.788 6.540 0.453 129 HD11 LEU 15 1HD1 LEU 15 2.171 5.909 2.926 130 HD12 LEU 15 2HD1 LEU 15 0.833 4.778 2.715 131 HD13 LEU 15 3HD1 LEU 15 0.565 6.501 2.500 132 HD21 LEU 15 1HD2 LEU 15 3.577 4.967 1.520 133 HD22 LEU 15 2HD2 LEU 15 3.353 4.927 -0.226 134 HD23 LEU 15 3HD2 LEU 15 2.640 3.669 0.780 135 H TYR 16 H TYR 16 -1.426 6.192 -1.773 136 HA TYR 16 HA TYR 16 -3.233 4.103 -2.392 137 HB2 TYR 16 2HB TYR 16 -4.013 6.323 -1.676 138 HB3 TYR 16 1HB TYR 16 -3.333 7.044 -3.131 139 HD1 TYR 16 1HD TYR 16 -4.530 7.054 -5.182 140 HD2 TYR 16 2HD TYR 16 -5.891 4.597 -1.924 141 HE1 TYR 16 1HE TYR 16 -6.614 6.548 -6.429 142 HE2 TYR 16 2HE TYR 16 -7.975 4.103 -3.169 143 HH TYR 16 HH TYR 16 -8.928 5.824 -5.913 144 H ASN 17 H ASN 17 -1.350 6.297 -4.447 145 HA ASN 17 HA ASN 17 -2.356 5.416 -6.924 146 HB2 ASN 17 2HB ASN 17 0.264 6.678 -6.124 147 HB3 ASN 17 1HB ASN 17 -0.075 6.231 -7.793 148 HD21 ASN 17 1HD2 ASN 17 0.288 8.983 -7.017 149 HD22 ASN 17 2HD2 ASN 17 -1.189 9.786 -7.251 150 H TRP 18 H TRP 18 0.435 4.301 -5.018 151 HA TRP 18 HA TRP 18 1.408 2.411 -6.845 152 HB2 TRP 18 2HB TRP 18 2.785 2.988 -5.002 153 HB3 TRP 18 1HB TRP 18 1.518 2.610 -3.840 154 HD1 TRP 18 HD TRP 18 1.090 0.090 -3.237 155 HE1 TRP 18 1HE TRP 18 2.480 -2.055 -3.600 156 HE3 TRP 18 3HE TRP 18 4.505 1.804 -6.643 157 HZ2 TRP 18 2HZ TRP 18 4.733 -2.919 -5.129 158 HZ3 TRP 18 3HZ TRP 18 6.262 0.296 -7.525 159 HH2 TRP 18 HH TRP 18 6.381 -2.059 -6.773 160 H ALA 19 H ALA 19 -0.993 2.076 -4.227 161 HA ALA 19 HA ALA 19 -1.411 -0.690 -4.506 162 HB1 ALA 19 1HB ALA 19 -3.728 -0.066 -3.495 163 HB2 ALA 19 2HB ALA 19 -3.067 1.567 -3.405 164 HB3 ALA 19 3HB ALA 19 -2.280 0.250 -2.538 165 H LYS 20 H LYS 20 -3.007 2.079 -6.049 166 HA LYS 20 HA LYS 20 -4.956 0.600 -7.456 167 HB2 LYS 20 2HB LYS 20 -5.002 3.050 -7.141 168 HB3 LYS 20 1HB LYS 20 -3.642 3.203 -8.256 169 HG2 LYS 20 2HG LYS 20 -4.966 2.172 -10.046 170 HG3 LYS 20 1HG LYS 20 -6.312 1.937 -8.932 171 HD2 LYS 20 2HD LYS 20 -6.469 4.387 -8.615 172 HD3 LYS 20 1HD LYS 20 -5.149 4.611 -9.763 173 HE2 LYS 20 2HE LYS 20 -7.786 3.254 -10.393 174 HE3 LYS 20 1HE LYS 20 -7.369 4.909 -10.834 175 HZ1 LYS 20 1HZ LYS 20 -6.357 2.385 -11.909 176 HZ2 LYS 20 2HZ LYS 20 -5.289 3.704 -11.846 177 HZ3 LYS 20 3HZ LYS 20 -6.746 3.828 -12.711 178 H SER 21 H SER 21 -1.684 1.649 -8.371 179 HA SER 21 HA SER 21 -1.721 0.748 -11.030 180 HB2 SER 21 2HB SER 21 0.624 0.957 -9.124 181 HB3 SER 21 1HB SER 21 0.739 0.800 -10.876 182 HG SER 21 HG SER 21 -0.981 2.759 -10.223 183 H HIS 22 H HIS 22 -0.758 -0.890 -8.033 184 HA HIS 22 HA HIS 22 -0.903 -3.466 -9.499 185 HB2 HIS 22 2HB HIS 22 1.170 -2.541 -7.511 186 HB3 HIS 22 1HB HIS 22 0.915 -4.244 -7.910 187 HD1 HIS 22 1HD HIS 22 1.881 -0.961 -9.517 188 HD2 HIS 22 2HD HIS 22 1.936 -5.033 -10.418 189 HE1 HIS 22 1HE HIS 22 3.227 -1.205 -11.647 190 HE2 HIS 22 2HE HIS 22 3.267 -3.677 -12.212 191 H VAL 23 H VAL 23 -3.026 -3.760 -8.713 192 HA VAL 23 HA VAL 23 -3.655 -3.673 -5.929 193 HB VAL 23 HB VAL 23 -5.691 -4.943 -6.635 194 HG11 VAL 23 1HG1 VAL 23 -5.636 -2.498 -6.731 195 HG12 VAL 23 2HG1 VAL 23 -6.573 -3.145 -8.078 196 HG13 VAL 23 3HG1 VAL 23 -4.929 -2.560 -8.344 197 HG21 VAL 23 1HG2 VAL 23 -5.998 -5.314 -9.071 198 HG22 VAL 23 2HG2 VAL 23 -4.663 -6.272 -8.430 199 HG23 VAL 23 3HG2 VAL 23 -4.331 -4.806 -9.348 200 H GLY 24 H GLY 24 -2.290 -6.031 -8.069 201 HA2 GLY 24 2HA GLY 24 -2.794 -8.370 -6.591 202 HA3 GLY 24 1HA GLY 24 -1.445 -8.128 -7.698 203 H LYS 25 H LYS 25 -0.021 -6.106 -6.470 204 HA LYS 25 HA LYS 25 1.423 -7.512 -4.507 205 HB2 LYS 25 2HB LYS 25 1.382 -4.570 -5.194 206 HB3 LYS 25 1HB LYS 25 2.573 -5.338 -4.178 207 HG2 LYS 25 2HG LYS 25 2.057 -6.238 -6.992 208 HG3 LYS 25 1HG LYS 25 3.294 -5.056 -6.568 209 HD2 LYS 25 2HD LYS 25 4.134 -6.859 -4.881 210 HD3 LYS 25 1HD LYS 25 3.169 -7.983 -5.837 211 HE2 LYS 25 2HE LYS 25 4.364 -7.337 -7.869 212 HE3 LYS 25 1HE LYS 25 5.339 -6.191 -6.948 213 HZ1 LYS 25 1HZ LYS 25 6.271 -7.985 -5.683 214 HZ2 LYS 25 2HZ LYS 25 6.443 -8.362 -7.332 215 HZ3 LYS 25 3HZ LYS 25 5.232 -9.113 -6.404 216 H VAL 26 H VAL 26 -1.178 -5.166 -4.226 217 HA VAL 26 HA VAL 26 -0.969 -4.747 -1.410 218 HB VAL 26 HB VAL 26 -3.300 -4.491 -3.321 219 HG11 VAL 26 1HG1 VAL 26 -4.227 -3.042 -1.445 220 HG12 VAL 26 2HG1 VAL 26 -2.995 -3.751 -0.403 221 HG13 VAL 26 3HG1 VAL 26 -4.235 -4.777 -1.126 222 HG21 VAL 26 1HG2 VAL 26 -1.269 -2.997 -3.587 223 HG22 VAL 26 2HG2 VAL 26 -1.615 -2.376 -1.974 224 HG23 VAL 26 3HG2 VAL 26 -2.784 -2.149 -3.274 225 H TRP 27 H TRP 27 -2.876 -6.941 -3.425 226 HA TRP 27 HA TRP 27 -4.277 -8.198 -1.331 227 HB2 TRP 27 2HB TRP 27 -3.705 -8.856 -4.197 228 HB3 TRP 27 1HB TRP 27 -4.153 -10.211 -3.163 229 HD1 TRP 27 HD TRP 27 -6.316 -9.211 -1.364 230 HE1 TRP 27 1HE TRP 27 -8.575 -8.342 -2.236 231 HE3 TRP 27 3HE TRP 27 -5.001 -8.000 -6.137 232 HZ2 TRP 27 2HZ TRP 27 -9.687 -7.274 -4.651 233 HZ3 TRP 27 3HZ TRP 27 -6.675 -7.067 -7.702 234 HH2 TRP 27 HH TRP 27 -9.013 -6.701 -6.974 235 H GLU 28 H GLU 28 -1.199 -8.881 -2.870 236 HA GLU 28 HA GLU 28 -0.479 -11.274 -1.720 237 HB2 GLU 28 2HB GLU 28 0.916 -10.397 -3.435 238 HB3 GLU 28 1HB GLU 28 1.169 -8.879 -2.592 239 HG2 GLU 28 2HG GLU 28 3.162 -10.295 -2.469 240 HG3 GLU 28 1HG GLU 28 2.495 -10.058 -0.866 241 H TRP 29 H TRP 29 0.213 -7.940 -0.357 242 HA TRP 29 HA TRP 29 1.315 -9.227 2.014 243 HB2 TRP 29 2HB TRP 29 0.481 -6.374 1.556 244 HB3 TRP 29 1HB TRP 29 1.280 -6.958 3.024 245 HD1 TRP 29 HD TRP 29 3.645 -8.498 2.410 246 HE1 TRP 29 1HE TRP 29 5.463 -7.906 0.685 247 HE3 TRP 29 3HE TRP 29 1.081 -5.158 -0.391 248 HZ2 TRP 29 2HZ TRP 29 5.768 -6.225 -1.610 249 HZ3 TRP 29 3HZ TRP 29 2.102 -4.113 -2.333 250 HH2 TRP 29 HH TRP 29 4.455 -4.625 -2.965 251 H LEU 30 H LEU 30 -1.887 -8.034 1.163 252 HA LEU 30 HA LEU 30 -2.986 -7.978 3.755 253 HB2 LEU 30 2HB LEU 30 -4.169 -8.487 1.028 254 HB3 LEU 30 1HB LEU 30 -5.162 -8.577 2.481 255 HG LEU 30 HG LEU 30 -3.470 -6.180 1.718 256 HD11 LEU 30 1HD1 LEU 30 -5.421 -5.136 0.870 257 HD12 LEU 30 2HD1 LEU 30 -6.486 -6.354 1.571 258 HD13 LEU 30 3HD1 LEU 30 -5.468 -6.764 0.190 259 HD21 LEU 30 1HD2 LEU 30 -5.206 -6.895 4.042 260 HD22 LEU 30 2HD2 LEU 30 -5.347 -5.247 3.441 261 HD23 LEU 30 3HD2 LEU 30 -3.785 -5.851 3.973 262 H LYS 31 H LYS 31 -2.681 -10.607 1.408 263 HA LYS 31 HA LYS 31 -3.976 -12.588 2.966 264 HB2 LYS 31 2HB LYS 31 -3.605 -12.805 0.522 265 HB3 LYS 31 1HB LYS 31 -1.870 -12.952 0.812 266 HG2 LYS 31 2HG LYS 31 -2.260 -14.957 2.182 267 HG3 LYS 31 1HG LYS 31 -3.999 -14.794 1.928 268 HD2 LYS 31 2HD LYS 31 -3.666 -15.041 -0.503 269 HD3 LYS 31 1HD LYS 31 -1.931 -15.227 -0.237 270 HE2 LYS 31 2HE LYS 31 -2.325 -17.225 1.128 271 HE3 LYS 31 1HE LYS 31 -4.066 -17.038 0.932 272 HZ1 LYS 31 1HZ LYS 31 -3.872 -18.271 -0.883 273 HZ2 LYS 31 2HZ LYS 31 -2.175 -18.226 -0.829 274 HZ3 LYS 31 3HZ LYS 31 -3.037 -16.989 -1.615 275 H SER 32 H SER 32 -0.587 -11.648 2.546 276 HA SER 32 HA SER 32 0.572 -13.646 4.162 277 HB2 SER 32 2HB SER 32 1.860 -12.124 2.678 278 HB3 SER 32 1HB SER 32 1.522 -10.799 3.784 279 HG SER 32 HG SER 32 3.571 -12.110 4.000 280 H GLY 33 H GLY 33 -1.271 -10.849 5.014 281 HA2 GLY 33 2HA GLY 33 -2.242 -10.417 7.110 282 HA3 GLY 33 1HA GLY 33 -1.111 -11.542 7.852 283 H ALA 34 H ALA 34 0.358 -9.326 5.712 284 HA ALA 34 HA ALA 34 1.880 -8.157 7.800 285 HB1 ALA 34 1HB ALA 34 3.128 -7.256 6.122 286 HB2 ALA 34 2HB ALA 34 1.717 -6.653 5.250 287 HB3 ALA 34 3HB ALA 34 2.186 -8.342 5.105 288 H THR 35 H THR 35 1.875 -5.956 8.543 289 HA THR 35 HA THR 35 -0.775 -4.929 8.961 290 HB THR 35 HB THR 35 0.220 -3.443 10.492 291 HG1 THR 35 1HG THR 35 2.811 -3.703 9.977 292 HG21 THR 35 1HG2 THR 35 1.739 -4.831 11.781 293 HG22 THR 35 2HG2 THR 35 2.163 -5.764 10.345 294 HG23 THR 35 3HG2 THR 35 0.544 -5.889 11.029 295 H TYR 36 H TYR 36 -1.539 -2.859 8.397 296 HA TYR 36 HA TYR 36 -1.160 -2.097 5.718 297 HB2 TYR 36 2HB TYR 36 -2.180 -0.340 7.946 298 HB3 TYR 36 1HB TYR 36 -2.576 -0.235 6.227 299 HD1 TYR 36 1HD TYR 36 -3.318 -2.699 5.257 300 HD2 TYR 36 2HD TYR 36 -3.908 -1.287 9.279 301 HE1 TYR 36 1HE TYR 36 -5.158 -4.337 5.563 302 HE2 TYR 36 2HE TYR 36 -5.759 -2.926 9.583 303 HH TYR 36 HH TYR 36 -6.988 -4.487 8.656 304 H GLU 37 H GLU 37 0.212 -0.961 8.710 305 HA GLU 37 HA GLU 37 1.538 1.332 7.718 306 HB2 GLU 37 2HB GLU 37 2.056 -0.412 10.116 307 HB3 GLU 37 1HB GLU 37 2.954 1.066 9.788 308 HG2 GLU 37 2HG GLU 37 0.883 2.372 9.851 309 HG3 GLU 37 1HG GLU 37 -0.058 0.898 10.077 310 H GLN 38 H GLN 38 2.706 -1.974 8.310 311 HA GLN 38 HA GLN 38 5.345 -1.584 7.414 312 HB2 GLN 38 2HB GLN 38 4.647 -3.556 8.660 313 HB3 GLN 38 1HB GLN 38 3.640 -4.079 7.313 314 HG2 GLN 38 2HG GLN 38 5.593 -4.272 5.875 315 HG3 GLN 38 1HG GLN 38 6.635 -3.634 7.148 316 HE21 GLN 38 1HE2 GLN 38 7.737 -5.261 8.232 317 HE22 GLN 38 2HE2 GLN 38 7.144 -6.831 8.496 318 H ILE 39 H ILE 39 2.361 -2.447 5.679 319 HA ILE 39 HA ILE 39 3.507 -2.964 3.155 320 HB ILE 39 HB ILE 39 0.761 -1.992 3.942 321 HG12 ILE 39 2HG1 ILE 39 1.674 -4.695 2.920 322 HG13 ILE 39 1HG1 ILE 39 1.622 -4.311 4.641 323 HG21 ILE 39 1HG2 ILE 39 0.204 -2.880 1.596 324 HG22 ILE 39 2HG2 ILE 39 1.933 -2.784 1.273 325 HG23 ILE 39 3HG2 ILE 39 1.030 -1.325 1.669 326 HD11 ILE 39 1HD1 ILE 39 -0.716 -4.035 4.624 327 HD12 ILE 39 2HD1 ILE 39 -0.469 -5.439 3.593 328 HD13 ILE 39 3HD1 ILE 39 -0.779 -3.860 2.873 329 H LYS 40 H LYS 40 2.177 0.188 4.471 330 HA LYS 40 HA LYS 40 2.842 1.498 2.025 331 HB2 LYS 40 2HB LYS 40 2.763 3.664 3.201 332 HB3 LYS 40 1HB LYS 40 1.290 2.679 3.451 333 HG2 LYS 40 2HG LYS 40 1.988 2.037 5.626 334 HG3 LYS 40 1HG LYS 40 3.602 2.706 5.391 335 HD2 LYS 40 2HD LYS 40 2.644 4.957 5.158 336 HD3 LYS 40 1HD LYS 40 1.029 4.307 5.418 337 HE2 LYS 40 2HE LYS 40 1.987 5.300 7.486 338 HE3 LYS 40 1HE LYS 40 1.668 3.588 7.680 339 HZ1 LYS 40 1HZ LYS 40 4.316 4.589 6.821 340 HZ2 LYS 40 2HZ LYS 40 3.919 3.066 7.465 341 HZ3 LYS 40 3HZ LYS 40 3.909 4.439 8.462 342 H GLU 41 H GLU 41 4.605 0.840 5.008 343 HA GLU 41 HA GLU 41 6.744 2.563 4.660 344 HB2 GLU 41 2HB GLU 41 6.367 1.220 6.672 345 HB3 GLU 41 1HB GLU 41 6.839 -0.220 5.764 346 HG2 GLU 41 2HG GLU 41 9.066 0.750 5.330 347 HG3 GLU 41 1HG GLU 41 8.603 2.222 6.181 348 H TRP 42 H TRP 42 6.387 -0.822 3.504 349 HA TRP 42 HA TRP 42 8.887 -0.838 2.159 350 HB2 TRP 42 2HB TRP 42 6.375 -2.420 1.572 351 HB3 TRP 42 1HB TRP 42 7.935 -2.698 0.808 352 HD1 TRP 42 HD TRP 42 9.800 -2.440 3.429 353 HE1 TRP 42 1HE TRP 42 9.744 -4.330 5.154 354 HE3 TRP 42 3HE TRP 42 5.262 -4.537 2.321 355 HZ2 TRP 42 2HZ TRP 42 8.052 -6.449 5.961 356 HZ3 TRP 42 3HZ TRP 42 4.462 -6.501 3.605 357 HH2 TRP 42 HH TRP 42 5.852 -7.459 5.426 358 H ILE 43 H ILE 43 5.636 0.090 1.121 359 HA ILE 43 HA ILE 43 6.249 0.448 -1.625 360 HB ILE 43 HB ILE 43 4.153 1.690 0.168 361 HG12 ILE 43 2HG1 ILE 43 3.925 -0.388 -2.018 362 HG13 ILE 43 1HG1 ILE 43 4.128 -0.789 -0.312 363 HG21 ILE 43 1HG2 ILE 43 4.577 1.913 -2.811 364 HG22 ILE 43 2HG2 ILE 43 4.407 3.227 -1.649 365 HG23 ILE 43 3HG2 ILE 43 3.015 2.216 -2.050 366 HD11 ILE 43 1HD1 ILE 43 2.037 0.182 0.276 367 HD12 ILE 43 2HD1 ILE 43 1.709 -0.724 -1.196 368 HD13 ILE 43 3HD1 ILE 43 1.902 1.029 -1.260 369 H GLU 44 H GLU 44 6.296 2.810 1.052 370 HA GLU 44 HA GLU 44 7.018 4.915 -0.659 371 HB2 GLU 44 2HB GLU 44 7.302 6.277 1.290 372 HB3 GLU 44 1HB GLU 44 5.830 5.295 1.475 373 HG2 GLU 44 2HG GLU 44 6.611 4.396 3.383 374 HG3 GLU 44 1HG GLU 44 8.100 3.879 2.612 375 H ASN 45 H ASN 45 8.930 2.622 1.234 376 HA ASN 45 HA ASN 45 11.420 3.922 0.885 377 HB2 ASN 45 2HB ASN 45 11.109 2.082 2.493 378 HB3 ASN 45 1HB ASN 45 10.793 0.974 1.164 379 HD21 ASN 45 1HD2 ASN 45 12.901 0.281 2.833 380 HD22 ASN 45 2HD2 ASN 45 14.390 0.561 2.066 381 H ALA 46 H ALA 46 9.685 1.498 -1.105 382 HA ALA 46 HA ALA 46 11.740 1.122 -3.012 383 HB1 ALA 46 1HB ALA 46 8.735 0.876 -3.364 384 HB2 ALA 46 2HB ALA 46 9.802 -0.407 -2.789 385 HB3 ALA 46 3HB ALA 46 9.955 0.200 -4.439 386 H LEU 47 H LEU 47 8.987 3.369 -2.803 387 HA LEU 47 HA LEU 47 9.270 4.585 -5.309 388 HB2 LEU 47 2HB LEU 47 7.811 5.004 -2.831 389 HB3 LEU 47 1HB LEU 47 8.344 6.541 -3.466 390 HG LEU 47 HG LEU 47 7.353 5.819 -5.712 391 HD11 LEU 47 1HD1 LEU 47 5.701 4.001 -5.628 392 HD12 LEU 47 2HD1 LEU 47 6.092 3.717 -3.933 393 HD13 LEU 47 3HD1 LEU 47 7.298 3.400 -5.180 394 HD21 LEU 47 1HD2 LEU 47 5.738 6.304 -3.213 395 HD22 LEU 47 2HD2 LEU 47 4.919 6.058 -4.756 396 HD23 LEU 47 3HD2 LEU 47 6.048 7.399 -4.559 397 H GLY 48 H GLY 48 10.735 5.457 -2.153 398 HA2 GLY 48 2HA GLY 48 12.111 7.739 -3.065 399 HA3 GLY 48 1HA GLY 48 12.556 6.779 -1.658 400 H TRP 49 H TRP 49 13.068 4.316 -2.947 401 HA TRP 49 HA TRP 49 15.748 4.633 -3.761 402 HB2 TRP 49 2HB TRP 49 15.065 2.525 -2.863 403 HB3 TRP 49 1HB TRP 49 13.803 2.341 -4.079 404 HD1 TRP 49 HD TRP 49 14.423 1.012 -6.147 405 HE1 TRP 49 1HE TRP 49 16.613 0.176 -7.223 406 HE3 TRP 49 3HE TRP 49 17.811 3.325 -3.118 407 HZ2 TRP 49 2HZ TRP 49 19.436 0.456 -6.833 408 HZ3 TRP 49 3HZ TRP 49 20.240 3.030 -3.487 409 HH2 TRP 49 HH TRP 49 21.058 1.600 -5.340 410 H ARG 50 H ARG 50 12.760 4.249 -5.606 411 HA ARG 50 HA ARG 50 14.075 5.365 -7.964 412 HB2 ARG 50 2HB ARG 50 13.270 3.604 -9.448 413 HB3 ARG 50 1HB ARG 50 14.364 2.936 -8.236 414 HG2 ARG 50 2HG ARG 50 12.409 2.227 -6.884 415 HG3 ARG 50 1HG ARG 50 11.333 2.872 -8.124 416 HD2 ARG 50 2HD ARG 50 12.316 1.328 -9.775 417 HD3 ARG 50 1HD ARG 50 13.379 0.680 -8.530 418 HE ARG 50 HE ARG 50 10.743 0.475 -7.594 419 HH11 ARG 50 1HH1 ARG 50 9.656 -1.525 -7.759 420 HH12 ARG 50 2HH1 ARG 50 10.191 -2.698 -8.915 421 HH21 ARG 50 1HH2 ARG 50 12.778 -0.715 -10.115 422 HH22 ARG 50 2HH2 ARG 50 11.964 -2.237 -10.252 Start of MODEL 17 1 H FME 1 H FME 1 -11.679 -5.140 1.629 2 HCN FME 1 HF FME 1 -10.897 -4.856 3.814 3 HA FME 1 HA FME 1 -9.201 -4.151 0.621 4 HB2 FME 1 1HB FME 1 -11.856 -4.153 -0.825 5 HB3 FME 1 2HB FME 1 -10.851 -5.592 -0.651 6 HG2 FME 1 1HG FME 1 -9.661 -3.043 -1.719 7 HG3 FME 1 2HG FME 1 -10.573 -4.110 -2.787 8 HE1 FME 1 1HE FME 1 -8.576 -4.944 -4.410 9 HE2 FME 1 2HE FME 1 -6.938 -4.854 -3.770 10 HE3 FME 1 3HE FME 1 -8.004 -3.459 -3.635 11 H ALA 2 H ALA 2 -12.463 -2.680 0.811 12 HA ALA 2 HA ALA 2 -11.672 -0.134 -0.125 13 HB1 ALA 2 1HB ALA 2 -13.776 0.664 0.903 14 HB2 ALA 2 2HB ALA 2 -13.961 -0.901 1.696 15 HB3 ALA 2 3HB ALA 2 -14.013 -0.791 -0.063 16 H GLY 3 H GLY 3 -11.873 -1.484 3.147 17 HA2 GLY 3 2HA GLY 3 -11.330 0.887 4.576 18 HA3 GLY 3 1HA GLY 3 -11.010 -0.748 5.154 19 H LEU 4 H LEU 4 -9.197 -1.572 3.153 20 HA LEU 4 HA LEU 4 -6.713 -0.648 4.144 21 HB2 LEU 4 2HB LEU 4 -6.959 -2.855 3.142 22 HB3 LEU 4 1HB LEU 4 -7.425 -2.150 1.601 23 HG LEU 4 HG LEU 4 -5.020 -2.965 1.776 24 HD11 LEU 4 1HD1 LEU 4 -6.038 -0.870 0.344 25 HD12 LEU 4 2HD1 LEU 4 -4.402 -1.479 0.175 26 HD13 LEU 4 3HD1 LEU 4 -4.720 -0.085 1.198 27 HD21 LEU 4 1HD2 LEU 4 -3.448 -1.831 3.113 28 HD22 LEU 4 2HD2 LEU 4 -4.864 -1.979 4.157 29 HD23 LEU 4 3HD2 LEU 4 -4.517 -0.444 3.354 30 H LEU 5 H LEU 5 -8.458 0.048 1.147 31 HA LEU 5 HA LEU 5 -6.537 1.739 -0.038 32 HB2 LEU 5 2HB LEU 5 -9.551 1.631 -0.294 33 HB3 LEU 5 1HB LEU 5 -8.516 2.612 -1.330 34 HG LEU 5 HG LEU 5 -8.230 -0.393 -1.000 35 HD11 LEU 5 1HD1 LEU 5 -10.389 0.251 -2.076 36 HD12 LEU 5 2HD1 LEU 5 -9.302 -0.593 -3.179 37 HD13 LEU 5 3HD1 LEU 5 -9.479 1.157 -3.285 38 HD21 LEU 5 1HD2 LEU 5 -6.164 0.315 -1.794 39 HD22 LEU 5 2HD2 LEU 5 -6.844 1.718 -2.616 40 HD23 LEU 5 3HD2 LEU 5 -7.026 0.111 -3.319 41 H ARG 6 H ARG 6 -9.317 2.416 2.069 42 HA ARG 6 HA ARG 6 -9.157 5.219 2.038 43 HB2 ARG 6 2HB ARG 6 -11.031 3.865 3.039 44 HB3 ARG 6 1HB ARG 6 -9.961 3.495 4.393 45 HG2 ARG 6 2HG ARG 6 -9.691 6.192 4.377 46 HG3 ARG 6 1HG ARG 6 -11.306 6.068 3.677 47 HD2 ARG 6 2HD ARG 6 -10.450 4.755 6.270 48 HD3 ARG 6 1HD ARG 6 -11.347 6.268 6.158 49 HE ARG 6 HE ARG 6 -12.767 4.379 4.678 50 HH11 ARG 6 1HH1 ARG 6 -14.545 3.296 5.610 51 HH12 ARG 6 2HH1 ARG 6 -14.660 3.170 7.335 52 HH21 ARG 6 1HH2 ARG 6 -11.686 4.867 7.912 53 HH22 ARG 6 2HH2 ARG 6 -13.036 4.067 8.641 54 H PHE 7 H PHE 7 -7.646 2.822 4.187 55 HA PHE 7 HA PHE 7 -6.389 4.603 5.928 56 HB2 PHE 7 2HB PHE 7 -6.601 2.176 6.320 57 HB3 PHE 7 1HB PHE 7 -5.448 1.871 5.029 58 HD1 PHE 7 1HD PHE 7 -3.101 2.124 5.371 59 HD2 PHE 7 2HD PHE 7 -5.879 3.418 8.375 60 HE1 PHE 7 1HE PHE 7 -1.236 2.375 6.985 61 HE2 PHE 7 2HE PHE 7 -4.018 3.675 9.990 62 HZ PHE 7 HZ PHE 7 -1.695 3.148 9.297 63 H LEU 8 H LEU 8 -5.218 3.118 2.915 64 HA LEU 8 HA LEU 8 -2.642 4.236 3.060 65 HB2 LEU 8 2HB LEU 8 -4.307 3.149 0.812 66 HB3 LEU 8 1HB LEU 8 -2.767 3.935 0.465 67 HG LEU 8 HG LEU 8 -3.091 1.652 2.432 68 HD11 LEU 8 1HD1 LEU 8 -2.478 0.141 0.758 69 HD12 LEU 8 2HD1 LEU 8 -1.738 1.394 -0.236 70 HD13 LEU 8 3HD1 LEU 8 -3.490 1.260 -0.158 71 HD21 LEU 8 1HD2 LEU 8 -0.998 2.264 3.081 72 HD22 LEU 8 2HD2 LEU 8 -0.898 3.503 1.829 73 HD23 LEU 8 3HD2 LEU 8 -0.413 1.851 1.469 74 H LEU 9 H LEU 9 -5.636 5.412 1.581 75 HA LEU 9 HA LEU 9 -4.535 7.712 0.368 76 HB2 LEU 9 2HB LEU 9 -6.899 6.596 0.148 77 HB3 LEU 9 1HB LEU 9 -7.324 7.676 1.475 78 HG LEU 9 HG LEU 9 -6.045 8.582 -1.120 79 HD11 LEU 9 1HD1 LEU 9 -8.937 8.604 -0.210 80 HD12 LEU 9 2HD1 LEU 9 -8.266 7.730 -1.587 81 HD13 LEU 9 3HD1 LEU 9 -8.334 9.493 -1.610 82 HD21 LEU 9 1HD2 LEU 9 -6.916 9.937 1.405 83 HD22 LEU 9 2HD2 LEU 9 -7.200 10.791 -0.113 84 HD23 LEU 9 3HD2 LEU 9 -5.567 10.313 0.334 85 H SER 10 H SER 10 -6.005 7.227 3.581 86 HA SER 10 HA SER 10 -5.897 9.904 4.422 87 HB2 SER 10 2HB SER 10 -5.635 7.400 6.094 88 HB3 SER 10 1HB SER 10 -6.031 9.001 6.703 89 HG SER 10 HG SER 10 -7.855 7.574 6.251 90 H LYS 11 H LYS 11 -3.458 7.304 4.632 91 HA LYS 11 HA LYS 11 -1.618 8.916 6.132 92 HB2 LYS 11 2HB LYS 11 -1.129 6.430 4.480 93 HB3 LYS 11 1HB LYS 11 0.040 7.158 5.577 94 HG2 LYS 11 2HG LYS 11 -2.696 6.147 6.405 95 HG3 LYS 11 1HG LYS 11 -1.191 5.256 6.620 96 HD2 LYS 11 2HD LYS 11 -0.391 7.427 7.860 97 HD3 LYS 11 1HD LYS 11 -2.115 7.760 8.005 98 HE2 LYS 11 2HE LYS 11 -2.474 5.590 9.081 99 HE3 LYS 11 1HE LYS 11 -0.756 5.218 8.925 100 HZ1 LYS 11 1HZ LYS 11 -0.201 6.637 10.570 101 HZ2 LYS 11 2HZ LYS 11 -1.793 6.341 11.083 102 HZ3 LYS 11 3HZ LYS 11 -1.429 7.748 10.199 103 H GLY 12 H GLY 12 -1.948 8.166 2.691 104 HA2 GLY 12 2HA GLY 12 -0.742 10.639 1.924 105 HA3 GLY 12 1HA GLY 12 0.346 9.282 1.658 106 H ARG 13 H ARG 13 -0.563 10.800 -0.483 107 HA ARG 13 HA ARG 13 -2.787 9.366 -1.723 108 HB2 ARG 13 2HB ARG 13 -2.625 11.821 -1.961 109 HB3 ARG 13 1HB ARG 13 -1.086 11.626 -2.799 110 HG2 ARG 13 2HG ARG 13 -2.198 10.291 -4.554 111 HG3 ARG 13 1HG ARG 13 -3.743 10.481 -3.717 112 HD2 ARG 13 2HD ARG 13 -3.463 12.971 -3.912 113 HD3 ARG 13 1HD ARG 13 -2.036 12.684 -4.900 114 HE ARG 13 HE ARG 13 -4.375 11.315 -5.888 115 HH11 ARG 13 1HH1 ARG 13 -5.237 12.106 -7.839 116 HH12 ARG 13 2HH1 ARG 13 -4.754 13.663 -8.426 117 HH21 ARG 13 1HH2 ARG 13 -2.637 14.315 -5.769 118 HH22 ARG 13 2HH2 ARG 13 -3.289 14.907 -7.261 119 H ALA 14 H ALA 14 0.690 9.640 -1.946 120 HA ALA 14 HA ALA 14 1.107 8.448 -4.448 121 HB1 ALA 14 1HB ALA 14 2.781 9.582 -2.796 122 HB2 ALA 14 2HB ALA 14 3.351 8.271 -3.828 123 HB3 ALA 14 3HB ALA 14 2.961 7.956 -2.139 124 H LEU 15 H LEU 15 0.946 6.975 -1.202 125 HA LEU 15 HA LEU 15 1.430 4.326 -2.013 126 HB2 LEU 15 2HB LEU 15 -0.338 5.144 0.281 127 HB3 LEU 15 1HB LEU 15 0.597 3.669 0.125 128 HG LEU 15 HG LEU 15 1.966 6.365 0.112 129 HD11 LEU 15 1HD1 LEU 15 2.340 5.886 2.606 130 HD12 LEU 15 2HD1 LEU 15 0.951 4.807 2.478 131 HD13 LEU 15 3HD1 LEU 15 0.765 6.521 2.129 132 HD21 LEU 15 1HD2 LEU 15 3.388 4.567 -0.525 133 HD22 LEU 15 2HD2 LEU 15 2.769 3.508 0.741 134 HD23 LEU 15 3HD2 LEU 15 3.759 4.892 1.157 135 H TYR 16 H TYR 16 -1.543 6.194 -1.690 136 HA TYR 16 HA TYR 16 -3.375 4.121 -2.199 137 HB2 TYR 16 2HB TYR 16 -4.146 6.211 -1.310 138 HB3 TYR 16 1HB TYR 16 -3.506 7.104 -2.689 139 HD1 TYR 16 1HD TYR 16 -5.002 7.671 -4.416 140 HD2 TYR 16 2HD TYR 16 -5.837 4.252 -1.945 141 HE1 TYR 16 1HE TYR 16 -7.168 7.352 -5.583 142 HE2 TYR 16 2HE TYR 16 -7.997 3.940 -3.120 143 HH TYR 16 HH TYR 16 -8.806 4.714 -5.693 144 H ASN 17 H ASN 17 -1.825 6.445 -4.418 145 HA ASN 17 HA ASN 17 -3.077 5.548 -6.772 146 HB2 ASN 17 2HB ASN 17 -1.804 7.640 -6.652 147 HB3 ASN 17 1HB ASN 17 -0.318 6.729 -6.394 148 HD21 ASN 17 1HD2 ASN 17 0.665 7.467 -8.388 149 HD22 ASN 17 2HD2 ASN 17 0.100 6.961 -9.906 150 H TRP 18 H TRP 18 -0.091 4.546 -5.171 151 HA TRP 18 HA TRP 18 0.802 2.717 -7.089 152 HB2 TRP 18 2HB TRP 18 2.303 3.346 -5.347 153 HB3 TRP 18 1HB TRP 18 1.163 2.857 -4.093 154 HD1 TRP 18 HD TRP 18 1.324 0.454 -3.236 155 HE1 TRP 18 1HE TRP 18 2.653 -1.648 -3.924 156 HE3 TRP 18 3HE TRP 18 3.363 2.104 -7.614 157 HZ2 TRP 18 2HZ TRP 18 4.366 -2.504 -6.063 158 HZ3 TRP 18 3HZ TRP 18 4.840 0.633 -8.948 159 HH2 TRP 18 HH TRP 18 5.343 -1.670 -8.180 160 H ALA 19 H ALA 19 -1.280 2.217 -4.243 161 HA ALA 19 HA ALA 19 -1.596 -0.553 -4.523 162 HB1 ALA 19 1HB ALA 19 -2.298 0.324 -2.466 163 HB2 ALA 19 2HB ALA 19 -3.818 -0.073 -3.272 164 HB3 ALA 19 3HB ALA 19 -3.250 1.596 -3.231 165 H LYS 20 H LYS 20 -3.442 2.150 -5.860 166 HA LYS 20 HA LYS 20 -5.495 0.617 -7.065 167 HB2 LYS 20 2HB LYS 20 -5.614 3.073 -6.700 168 HB3 LYS 20 1HB LYS 20 -4.393 3.295 -7.955 169 HG2 LYS 20 2HG LYS 20 -5.862 2.221 -9.607 170 HG3 LYS 20 1HG LYS 20 -7.075 1.935 -8.359 171 HD2 LYS 20 2HD LYS 20 -7.278 4.375 -8.003 172 HD3 LYS 20 1HD LYS 20 -6.082 4.652 -9.270 173 HE2 LYS 20 2HE LYS 20 -7.549 3.574 -10.919 174 HE3 LYS 20 1HE LYS 20 -8.738 3.238 -9.659 175 HZ1 LYS 20 1HZ LYS 20 -9.479 5.194 -10.645 176 HZ2 LYS 20 2HZ LYS 20 -7.915 5.852 -10.761 177 HZ3 LYS 20 3HZ LYS 20 -8.679 5.732 -9.248 178 H SER 21 H SER 21 -2.409 1.856 -8.311 179 HA SER 21 HA SER 21 -2.681 0.977 -10.958 180 HB2 SER 21 2HB SER 21 -0.950 2.573 -10.241 181 HB3 SER 21 1HB SER 21 -0.158 1.299 -9.318 182 HG SER 21 HG SER 21 -0.586 0.396 -11.769 183 H HIS 22 H HIS 22 -1.285 -0.668 -8.118 184 HA HIS 22 HA HIS 22 -1.269 -3.183 -9.683 185 HB2 HIS 22 2HB HIS 22 0.990 -2.025 -8.903 186 HB3 HIS 22 1HB HIS 22 0.589 -2.784 -7.367 187 HD1 HIS 22 1HD HIS 22 2.505 -3.476 -10.234 188 HD2 HIS 22 2HD HIS 22 -0.234 -5.742 -8.054 189 HE1 HIS 22 1HE HIS 22 2.945 -5.898 -10.828 190 HE2 HIS 22 2HE HIS 22 1.300 -7.294 -9.489 191 H VAL 23 H VAL 23 -3.333 -3.738 -8.954 192 HA VAL 23 HA VAL 23 -4.073 -3.749 -6.226 193 HB VAL 23 HB VAL 23 -5.917 -5.246 -6.974 194 HG11 VAL 23 1HG1 VAL 23 -6.762 -3.605 -8.800 195 HG12 VAL 23 2HG1 VAL 23 -5.252 -2.742 -8.516 196 HG13 VAL 23 3HG1 VAL 23 -6.408 -2.943 -7.203 197 HG21 VAL 23 1HG2 VAL 23 -6.024 -5.681 -9.469 198 HG22 VAL 23 2HG2 VAL 23 -4.760 -6.579 -8.627 199 HG23 VAL 23 3HG2 VAL 23 -4.347 -5.143 -9.565 200 H GLY 24 H GLY 24 -2.207 -5.884 -8.199 201 HA2 GLY 24 2HA GLY 24 -2.552 -8.296 -6.800 202 HA3 GLY 24 1HA GLY 24 -1.145 -7.878 -7.763 203 H LYS 25 H LYS 25 -0.224 -5.618 -6.296 204 HA LYS 25 HA LYS 25 1.249 -6.894 -4.249 205 HB2 LYS 25 2HB LYS 25 0.989 -4.105 -5.245 206 HB3 LYS 25 1HB LYS 25 1.486 -4.237 -3.566 207 HG2 LYS 25 2HG LYS 25 3.495 -4.216 -4.829 208 HG3 LYS 25 1HG LYS 25 3.275 -5.894 -4.359 209 HD2 LYS 25 2HD LYS 25 2.208 -6.330 -6.572 210 HD3 LYS 25 1HD LYS 25 2.557 -4.666 -7.037 211 HE2 LYS 25 2HE LYS 25 4.648 -6.684 -6.185 212 HE3 LYS 25 1HE LYS 25 4.292 -6.254 -7.858 213 HZ1 LYS 25 1HZ LYS 25 6.178 -5.011 -6.878 214 HZ2 LYS 25 2HZ LYS 25 5.100 -4.301 -5.774 215 HZ3 LYS 25 3HZ LYS 25 4.929 -4.010 -7.439 216 H VAL 26 H VAL 26 -1.664 -4.907 -4.186 217 HA VAL 26 HA VAL 26 -1.926 -4.641 -1.402 218 HB VAL 26 HB VAL 26 -4.002 -4.710 -3.589 219 HG11 VAL 26 1HG1 VAL 26 -4.242 -4.087 -0.637 220 HG12 VAL 26 2HG1 VAL 26 -5.147 -5.287 -1.558 221 HG13 VAL 26 3HG1 VAL 26 -5.434 -3.568 -1.828 222 HG21 VAL 26 1HG2 VAL 26 -3.092 -2.336 -1.976 223 HG22 VAL 26 2HG2 VAL 26 -3.849 -2.363 -3.568 224 HG23 VAL 26 3HG2 VAL 26 -2.167 -2.864 -3.382 225 H TRP 27 H TRP 27 -3.202 -7.072 -3.647 226 HA TRP 27 HA TRP 27 -4.572 -8.594 -1.695 227 HB2 TRP 27 2HB TRP 27 -3.451 -9.270 -4.405 228 HB3 TRP 27 1HB TRP 27 -4.282 -10.469 -3.420 229 HD1 TRP 27 HD TRP 27 -4.988 -8.109 -6.039 230 HE1 TRP 27 1HE TRP 27 -7.475 -7.447 -6.111 231 HE3 TRP 27 3HE TRP 27 -6.504 -9.837 -1.469 232 HZ2 TRP 27 2HZ TRP 27 -9.797 -7.617 -4.460 233 HZ3 TRP 27 3HZ TRP 27 -8.863 -9.568 -0.749 234 HH2 TRP 27 HH TRP 27 -10.508 -8.461 -2.240 235 H GLU 28 H GLU 28 -1.280 -8.826 -3.001 236 HA GLU 28 HA GLU 28 -0.494 -11.190 -1.740 237 HB2 GLU 28 2HB GLU 28 0.803 -10.038 -3.532 238 HB3 GLU 28 1HB GLU 28 1.262 -8.806 -2.359 239 HG2 GLU 28 2HG GLU 28 3.063 -10.417 -2.472 240 HG3 GLU 28 1HG GLU 28 2.251 -10.624 -0.925 241 H TRP 29 H TRP 29 -0.238 -7.791 -0.563 242 HA TRP 29 HA TRP 29 1.067 -8.580 1.830 243 HB2 TRP 29 2HB TRP 29 -0.647 -6.123 1.684 244 HB3 TRP 29 1HB TRP 29 0.797 -6.417 2.629 245 HD1 TRP 29 HD TRP 29 -0.148 -4.380 -0.033 246 HE1 TRP 29 1HE TRP 29 1.738 -3.875 -1.709 247 HE3 TRP 29 3HE TRP 29 3.195 -7.991 1.301 248 HZ2 TRP 29 2HZ TRP 29 4.328 -4.853 -2.379 249 HZ3 TRP 29 3HZ TRP 29 5.365 -8.154 0.147 250 HH2 TRP 29 HH TRP 29 5.946 -6.601 -1.690 251 H LEU 30 H LEU 30 -2.370 -8.171 0.975 252 HA LEU 30 HA LEU 30 -3.314 -8.437 3.631 253 HB2 LEU 30 2HB LEU 30 -4.544 -8.707 0.922 254 HB3 LEU 30 1HB LEU 30 -5.420 -9.420 2.275 255 HG LEU 30 HG LEU 30 -5.196 -7.188 3.470 256 HD11 LEU 30 1HD1 LEU 30 -4.469 -5.265 2.357 257 HD12 LEU 30 2HD1 LEU 30 -4.626 -6.003 0.766 258 HD13 LEU 30 3HD1 LEU 30 -3.300 -6.466 1.826 259 HD21 LEU 30 1HD2 LEU 30 -6.680 -7.206 0.830 260 HD22 LEU 30 2HD2 LEU 30 -7.008 -6.129 2.188 261 HD23 LEU 30 3HD2 LEU 30 -7.273 -7.863 2.355 262 H LYS 31 H LYS 31 -2.661 -10.852 1.125 263 HA LYS 31 HA LYS 31 -3.619 -13.081 2.571 264 HB2 LYS 31 2HB LYS 31 -3.051 -13.116 0.138 265 HB3 LYS 31 1HB LYS 31 -1.343 -13.022 0.562 266 HG2 LYS 31 2HG LYS 31 -1.514 -15.137 1.802 267 HG3 LYS 31 1HG LYS 31 -3.240 -15.219 1.441 268 HD2 LYS 31 2HD LYS 31 -2.738 -15.286 -0.973 269 HD3 LYS 31 1HD LYS 31 -1.010 -15.225 -0.611 270 HE2 LYS 31 2HE LYS 31 -2.875 -17.367 0.434 271 HE3 LYS 31 1HE LYS 31 -1.880 -17.555 -1.010 272 HZ1 LYS 31 1HZ LYS 31 -0.331 -18.272 0.406 273 HZ2 LYS 31 2HZ LYS 31 -1.127 -17.634 1.766 274 HZ3 LYS 31 3HZ LYS 31 -0.121 -16.640 0.825 275 H SER 32 H SER 32 -0.424 -11.527 2.431 276 HA SER 32 HA SER 32 0.975 -13.362 4.049 277 HB2 SER 32 2HB SER 32 1.436 -10.383 3.802 278 HB3 SER 32 1HB SER 32 2.601 -11.577 4.366 279 HG SER 32 HG SER 32 1.949 -12.575 2.163 280 H GLY 33 H GLY 33 -0.966 -10.525 4.867 281 HA2 GLY 33 2HA GLY 33 -2.214 -10.330 6.877 282 HA3 GLY 33 1HA GLY 33 -1.133 -11.492 7.637 283 H ALA 34 H ALA 34 0.572 -9.217 5.820 284 HA ALA 34 HA ALA 34 1.992 -8.161 7.983 285 HB1 ALA 34 1HB ALA 34 3.028 -7.986 5.879 286 HB2 ALA 34 2HB ALA 34 2.578 -6.321 6.253 287 HB3 ALA 34 3HB ALA 34 1.600 -7.268 5.134 288 H THR 35 H THR 35 2.136 -5.561 8.088 289 HA THR 35 HA THR 35 -0.545 -4.681 8.946 290 HB THR 35 HB THR 35 0.516 -3.253 10.482 291 HG1 THR 35 1HG THR 35 2.977 -3.227 10.244 292 HG21 THR 35 1HG2 THR 35 2.402 -5.607 10.335 293 HG22 THR 35 2HG2 THR 35 0.745 -5.745 10.919 294 HG23 THR 35 3HG2 THR 35 1.897 -4.716 11.772 295 H TYR 36 H TYR 36 -1.262 -2.573 8.436 296 HA TYR 36 HA TYR 36 -0.906 -1.762 5.775 297 HB2 TYR 36 2HB TYR 36 -1.845 -0.008 8.030 298 HB3 TYR 36 1HB TYR 36 -2.260 0.128 6.324 299 HD1 TYR 36 1HD TYR 36 -3.031 -2.454 5.405 300 HD2 TYR 36 2HD TYR 36 -3.627 -0.747 9.302 301 HE1 TYR 36 1HE TYR 36 -4.944 -3.975 5.775 302 HE2 TYR 36 2HE TYR 36 -5.543 -2.275 9.672 303 HH TYR 36 HH TYR 36 -6.172 -4.957 7.652 304 H GLU 37 H GLU 37 0.491 -0.538 8.753 305 HA GLU 37 HA GLU 37 1.846 1.668 7.670 306 HB2 GLU 37 2HB GLU 37 1.474 1.282 10.094 307 HB3 GLU 37 1HB GLU 37 2.649 -0.036 10.041 308 HG2 GLU 37 2HG GLU 37 4.397 1.523 9.302 309 HG3 GLU 37 1HG GLU 37 3.232 2.843 9.290 310 H GLN 38 H GLN 38 3.047 -1.592 8.420 311 HA GLN 38 HA GLN 38 5.647 -1.232 7.484 312 HB2 GLN 38 2HB GLN 38 4.990 -3.136 8.820 313 HB3 GLN 38 1HB GLN 38 3.930 -3.720 7.541 314 HG2 GLN 38 2HG GLN 38 5.832 -4.071 6.068 315 HG3 GLN 38 1HG GLN 38 6.925 -3.376 7.266 316 HE21 GLN 38 1HE2 GLN 38 5.313 -6.288 6.300 317 HE22 GLN 38 2HE2 GLN 38 5.820 -7.249 7.603 318 H ILE 39 H ILE 39 2.719 -2.236 5.737 319 HA ILE 39 HA ILE 39 4.011 -2.848 3.312 320 HB ILE 39 HB ILE 39 1.184 -1.969 3.897 321 HG12 ILE 39 2HG1 ILE 39 2.189 -4.727 3.215 322 HG13 ILE 39 1HG1 ILE 39 2.242 -4.148 4.878 323 HG21 ILE 39 1HG2 ILE 39 1.722 -1.607 1.523 324 HG22 ILE 39 2HG2 ILE 39 0.677 -3.009 1.689 325 HG23 ILE 39 3HG2 ILE 39 2.407 -3.231 1.410 326 HD11 ILE 39 1HD1 ILE 39 -0.230 -4.321 3.128 327 HD12 ILE 39 2HD1 ILE 39 -0.185 -3.637 4.745 328 HD13 ILE 39 3HD1 ILE 39 0.135 -5.345 4.517 329 H LYS 40 H LYS 40 2.492 0.273 4.427 330 HA LYS 40 HA LYS 40 3.129 1.511 1.924 331 HB2 LYS 40 2HB LYS 40 2.952 3.727 3.045 332 HB3 LYS 40 1HB LYS 40 1.494 2.707 3.172 333 HG2 LYS 40 2HG LYS 40 1.967 2.138 5.440 334 HG3 LYS 40 1HG LYS 40 3.599 2.802 5.340 335 HD2 LYS 40 2HD LYS 40 2.639 5.058 4.935 336 HD3 LYS 40 1HD LYS 40 1.019 4.382 5.117 337 HE2 LYS 40 2HE LYS 40 3.043 3.960 7.290 338 HE3 LYS 40 1HE LYS 40 2.198 5.506 7.173 339 HZ1 LYS 40 1HZ LYS 40 0.704 2.974 7.066 340 HZ2 LYS 40 2HZ LYS 40 0.164 4.520 7.521 341 HZ3 LYS 40 3HZ LYS 40 1.170 3.625 8.560 342 H GLU 41 H GLU 41 4.843 1.058 4.951 343 HA GLU 41 HA GLU 41 6.918 2.841 4.566 344 HB2 GLU 41 2HB GLU 41 6.587 1.569 6.640 345 HB3 GLU 41 1HB GLU 41 7.087 0.098 5.809 346 HG2 GLU 41 2HG GLU 41 9.017 0.947 6.979 347 HG3 GLU 41 1HG GLU 41 9.277 1.257 5.275 348 H TRP 42 H TRP 42 6.645 -0.548 3.509 349 HA TRP 42 HA TRP 42 9.123 -0.696 2.185 350 HB2 TRP 42 2HB TRP 42 6.484 -2.035 1.579 351 HB3 TRP 42 1HB TRP 42 8.008 -2.476 0.825 352 HD1 TRP 42 HD TRP 42 9.674 -2.239 3.735 353 HE1 TRP 42 1HE TRP 42 9.424 -4.239 5.330 354 HE3 TRP 42 3HE TRP 42 5.369 -4.289 1.912 355 HZ2 TRP 42 2HZ TRP 42 7.627 -6.433 5.780 356 HZ3 TRP 42 3HZ TRP 42 4.405 -6.327 2.933 357 HH2 TRP 42 HH TRP 42 5.533 -7.403 4.866 358 H ILE 43 H ILE 43 5.913 0.222 1.092 359 HA ILE 43 HA ILE 43 6.542 0.522 -1.628 360 HB ILE 43 HB ILE 43 4.415 1.821 0.071 361 HG12 ILE 43 2HG1 ILE 43 4.231 -0.397 -1.985 362 HG13 ILE 43 1HG1 ILE 43 4.424 -0.690 -0.254 363 HG21 ILE 43 1HG2 ILE 43 3.294 2.242 -2.151 364 HG22 ILE 43 2HG2 ILE 43 4.839 1.873 -2.922 365 HG23 ILE 43 3HG2 ILE 43 4.701 3.251 -1.833 366 HD11 ILE 43 1HD1 ILE 43 2.317 0.182 0.260 367 HD12 ILE 43 2HD1 ILE 43 2.011 -0.641 -1.265 368 HD13 ILE 43 3HD1 ILE 43 2.219 1.111 -1.231 369 H GLU 44 H GLU 44 6.513 2.969 0.947 370 HA GLU 44 HA GLU 44 7.196 5.029 -0.837 371 HB2 GLU 44 2HB GLU 44 7.380 6.467 1.090 372 HB3 GLU 44 1HB GLU 44 5.966 5.413 1.283 373 HG2 GLU 44 2HG GLU 44 6.761 4.667 3.250 374 HG3 GLU 44 1HG GLU 44 8.225 4.101 2.480 375 H ASN 45 H ASN 45 9.168 2.819 1.170 376 HA ASN 45 HA ASN 45 11.606 4.184 0.824 377 HB2 ASN 45 2HB ASN 45 11.337 2.405 2.467 378 HB3 ASN 45 1HB ASN 45 11.062 1.231 1.178 379 HD21 ASN 45 1HD2 ASN 45 13.226 0.895 2.989 380 HD22 ASN 45 2HD2 ASN 45 14.677 1.118 2.140 381 H ALA 46 H ALA 46 9.954 1.709 -1.137 382 HA ALA 46 HA ALA 46 12.037 1.388 -3.034 383 HB1 ALA 46 1HB ALA 46 10.454 0.192 -4.335 384 HB2 ALA 46 2HB ALA 46 9.093 1.056 -3.616 385 HB3 ALA 46 3HB ALA 46 9.995 -0.120 -2.659 386 H LEU 47 H LEU 47 9.188 3.513 -2.874 387 HA LEU 47 HA LEU 47 9.409 4.681 -5.402 388 HB2 LEU 47 2HB LEU 47 7.578 4.853 -3.556 389 HB3 LEU 47 1HB LEU 47 8.510 6.237 -2.995 390 HG LEU 47 HG LEU 47 7.491 5.887 -5.831 391 HD11 LEU 47 1HD1 LEU 47 5.789 7.544 -5.257 392 HD12 LEU 47 2HD1 LEU 47 6.427 7.665 -3.617 393 HD13 LEU 47 3HD1 LEU 47 5.667 6.169 -4.159 394 HD21 LEU 47 1HD2 LEU 47 7.965 8.519 -5.608 395 HD22 LEU 47 2HD2 LEU 47 9.235 7.391 -6.080 396 HD23 LEU 47 3HD2 LEU 47 9.134 7.953 -4.411 397 H GLY 48 H GLY 48 10.855 5.673 -2.282 398 HA2 GLY 48 2HA GLY 48 12.102 8.016 -3.202 399 HA3 GLY 48 1HA GLY 48 12.626 7.051 -1.821 400 H TRP 49 H TRP 49 13.230 4.649 -3.078 401 HA TRP 49 HA TRP 49 15.061 5.158 -5.271 402 HB2 TRP 49 2HB TRP 49 17.007 4.127 -3.988 403 HB3 TRP 49 1HB TRP 49 16.584 5.777 -3.539 404 HD1 TRP 49 HD TRP 49 16.616 2.230 -2.247 405 HE1 TRP 49 1HE TRP 49 15.985 2.224 0.252 406 HE3 TRP 49 3HE TRP 49 15.160 7.088 -1.704 407 HZ2 TRP 49 2HZ TRP 49 14.988 4.049 2.224 408 HZ3 TRP 49 3HZ TRP 49 14.377 7.931 0.487 409 HH2 TRP 49 HH TRP 49 14.288 6.421 2.454 410 H ARG 50 H ARG 50 16.032 3.167 -6.095 411 HA ARG 50 HA ARG 50 14.477 0.747 -5.350 412 HB2 ARG 50 2HB ARG 50 13.793 1.673 -7.549 413 HB3 ARG 50 1HB ARG 50 15.458 1.524 -8.113 414 HG2 ARG 50 2HG ARG 50 15.367 -0.919 -7.659 415 HG3 ARG 50 1HG ARG 50 13.680 -0.747 -7.171 416 HD2 ARG 50 2HD ARG 50 14.762 0.032 -9.893 417 HD3 ARG 50 1HD ARG 50 13.944 -1.489 -9.548 418 HE ARG 50 HE ARG 50 12.706 1.142 -9.751 419 HH11 ARG 50 1HH1 ARG 50 10.433 1.135 -9.687 420 HH12 ARG 50 2HH1 ARG 50 9.587 -0.299 -9.214 421 HH21 ARG 50 1HH2 ARG 50 12.487 -2.155 -8.729 422 HH22 ARG 50 2HH2 ARG 50 10.755 -2.170 -8.667 Start of MODEL 18 1 H FME 1 H FME 1 -12.492 -4.765 1.045 2 HCN FME 1 HF FME 1 -12.704 -4.761 3.372 3 HA FME 1 HA FME 1 -9.723 -4.023 1.404 4 HB2 FME 1 1HB FME 1 -11.465 -4.215 -1.060 5 HB3 FME 1 2HB FME 1 -10.310 -5.417 -0.480 6 HG2 FME 1 1HG FME 1 -8.566 -3.491 -0.665 7 HG3 FME 1 2HG FME 1 -9.769 -2.709 -1.693 8 HE1 FME 1 1HE FME 1 -6.655 -3.924 -2.941 9 HE2 FME 1 2HE FME 1 -7.814 -2.605 -3.066 10 HE3 FME 1 3HE FME 1 -7.587 -3.699 -4.428 11 H ALA 2 H ALA 2 -12.736 -2.381 1.001 12 HA ALA 2 HA ALA 2 -11.795 0.051 -0.093 13 HB1 ALA 2 1HB ALA 2 -14.140 -0.359 1.779 14 HB2 ALA 2 2HB ALA 2 -14.193 -0.616 0.034 15 HB3 ALA 2 3HB ALA 2 -13.894 0.998 0.677 16 H GLY 3 H GLY 3 -12.121 -1.100 3.250 17 HA2 GLY 3 2HA GLY 3 -11.443 1.337 4.515 18 HA3 GLY 3 1HA GLY 3 -11.250 -0.266 5.226 19 H LEU 4 H LEU 4 -9.497 -1.367 3.369 20 HA LEU 4 HA LEU 4 -6.986 -0.560 4.315 21 HB2 LEU 4 2HB LEU 4 -7.582 -2.804 3.392 22 HB3 LEU 4 1HB LEU 4 -7.736 -2.095 1.796 23 HG LEU 4 HG LEU 4 -5.541 -3.376 2.547 24 HD11 LEU 4 1HD1 LEU 4 -4.244 -1.672 1.032 25 HD12 LEU 4 2HD1 LEU 4 -5.839 -0.954 0.810 26 HD13 LEU 4 3HD1 LEU 4 -5.565 -2.633 0.366 27 HD21 LEU 4 1HD2 LEU 4 -4.875 -0.555 3.423 28 HD22 LEU 4 2HD2 LEU 4 -3.793 -1.940 3.403 29 HD23 LEU 4 3HD2 LEU 4 -5.155 -1.898 4.520 30 H LEU 5 H LEU 5 -8.647 0.110 1.231 31 HA LEU 5 HA LEU 5 -6.573 1.638 0.068 32 HB2 LEU 5 2HB LEU 5 -9.556 1.634 -0.397 33 HB3 LEU 5 1HB LEU 5 -8.415 2.544 -1.386 34 HG LEU 5 HG LEU 5 -8.240 -0.447 -0.923 35 HD11 LEU 5 1HD1 LEU 5 -9.148 -0.667 -3.213 36 HD12 LEU 5 2HD1 LEU 5 -9.374 1.081 -3.290 37 HD13 LEU 5 3HD1 LEU 5 -10.303 0.121 -2.140 38 HD21 LEU 5 1HD2 LEU 5 -6.107 0.170 -1.612 39 HD22 LEU 5 2HD2 LEU 5 -6.687 1.566 -2.521 40 HD23 LEU 5 3HD2 LEU 5 -6.880 -0.057 -3.181 41 H ARG 6 H ARG 6 -9.388 2.573 2.039 42 HA ARG 6 HA ARG 6 -9.048 5.358 1.868 43 HB2 ARG 6 2HB ARG 6 -11.073 4.291 2.793 44 HB3 ARG 6 1HB ARG 6 -10.142 3.727 4.183 45 HG2 ARG 6 2HG ARG 6 -9.933 6.652 3.635 46 HG3 ARG 6 1HG ARG 6 -11.535 6.101 4.112 47 HD2 ARG 6 2HD ARG 6 -10.573 5.036 6.124 48 HD3 ARG 6 1HD ARG 6 -8.969 5.596 5.655 49 HE ARG 6 HE ARG 6 -10.855 7.752 5.809 50 HH11 ARG 6 1HH1 ARG 6 -10.643 9.188 7.549 51 HH12 ARG 6 2HH1 ARG 6 -9.682 8.743 8.918 52 HH21 ARG 6 1HH2 ARG 6 -8.826 5.641 7.674 53 HH22 ARG 6 2HH2 ARG 6 -8.666 6.756 8.991 54 H PHE 7 H PHE 7 -7.723 2.989 4.166 55 HA PHE 7 HA PHE 7 -6.428 4.771 5.879 56 HB2 PHE 7 2HB PHE 7 -6.794 2.382 6.335 57 HB3 PHE 7 1HB PHE 7 -5.631 1.966 5.078 58 HD1 PHE 7 1HD PHE 7 -3.286 2.031 5.496 59 HD2 PHE 7 2HD PHE 7 -6.031 3.716 8.335 60 HE1 PHE 7 1HE PHE 7 -1.441 2.274 7.132 61 HE2 PHE 7 2HE PHE 7 -4.183 3.959 9.978 62 HZ PHE 7 HZ PHE 7 -1.890 3.231 9.373 63 H LEU 8 H LEU 8 -5.269 3.123 2.942 64 HA LEU 8 HA LEU 8 -2.622 4.113 3.108 65 HB2 LEU 8 2HB LEU 8 -4.293 3.061 0.844 66 HB3 LEU 8 1HB LEU 8 -2.679 3.709 0.554 67 HG LEU 8 HG LEU 8 -3.054 1.684 2.747 68 HD11 LEU 8 1HD1 LEU 8 -4.160 0.603 0.881 69 HD12 LEU 8 2HD1 LEU 8 -2.537 -0.084 0.993 70 HD13 LEU 8 3HD1 LEU 8 -2.902 1.128 -0.237 71 HD21 LEU 8 1HD2 LEU 8 -0.759 1.274 2.401 72 HD22 LEU 8 2HD2 LEU 8 -0.882 3.011 2.132 73 HD23 LEU 8 3HD2 LEU 8 -0.802 1.908 0.759 74 H LEU 9 H LEU 9 -5.523 5.372 1.520 75 HA LEU 9 HA LEU 9 -4.299 7.558 0.238 76 HB2 LEU 9 2HB LEU 9 -6.703 6.508 0.031 77 HB3 LEU 9 1HB LEU 9 -7.112 7.695 1.264 78 HG LEU 9 HG LEU 9 -5.732 8.364 -1.346 79 HD11 LEU 9 1HD1 LEU 9 -7.859 9.108 -2.165 80 HD12 LEU 9 2HD1 LEU 9 -8.624 8.841 -0.599 81 HD13 LEU 9 3HD1 LEU 9 -8.086 7.467 -1.565 82 HD21 LEU 9 1HD2 LEU 9 -6.821 10.674 -0.543 83 HD22 LEU 9 2HD2 LEU 9 -5.230 10.165 0.017 84 HD23 LEU 9 3HD2 LEU 9 -6.643 9.924 1.045 85 H SER 10 H SER 10 -5.849 7.275 3.434 86 HA SER 10 HA SER 10 -5.636 9.976 4.163 87 HB2 SER 10 2HB SER 10 -7.029 8.357 5.387 88 HB3 SER 10 1HB SER 10 -5.577 7.522 5.935 89 HG SER 10 HG SER 10 -6.232 8.975 7.513 90 H LYS 11 H LYS 11 -3.349 7.260 4.552 91 HA LYS 11 HA LYS 11 -1.465 8.788 6.061 92 HB2 LYS 11 2HB LYS 11 -1.180 6.218 4.499 93 HB3 LYS 11 1HB LYS 11 0.112 6.910 5.476 94 HG2 LYS 11 2HG LYS 11 -2.627 6.180 6.558 95 HG3 LYS 11 1HG LYS 11 -1.222 5.121 6.646 96 HD2 LYS 11 2HD LYS 11 -0.053 7.157 7.794 97 HD3 LYS 11 1HD LYS 11 -1.695 7.741 8.059 98 HE2 LYS 11 2HE LYS 11 -2.269 5.591 9.172 99 HE3 LYS 11 1HE LYS 11 -0.598 5.066 8.961 100 HZ1 LYS 11 1HZ LYS 11 0.051 6.267 10.691 101 HZ2 LYS 11 2HZ LYS 11 -1.591 6.468 11.076 102 HZ3 LYS 11 3HZ LYS 11 -0.779 7.649 10.165 103 H GLY 12 H GLY 12 -1.728 7.999 2.594 104 HA2 GLY 12 2HA GLY 12 -0.283 10.378 1.920 105 HA3 GLY 12 1HA GLY 12 0.681 8.930 1.660 106 H ARG 13 H ARG 13 -0.040 10.671 -0.409 107 HA ARG 13 HA ARG 13 -2.265 9.469 -1.860 108 HB2 ARG 13 2HB ARG 13 -0.351 11.713 -2.556 109 HB3 ARG 13 1HB ARG 13 -1.608 11.127 -3.645 110 HG2 ARG 13 2HG ARG 13 -3.325 11.654 -1.964 111 HG3 ARG 13 1HG ARG 13 -2.073 12.219 -0.858 112 HD2 ARG 13 2HD ARG 13 -2.522 13.380 -3.617 113 HD3 ARG 13 1HD ARG 13 -3.200 14.067 -2.142 114 HE ARG 13 HE ARG 13 -0.431 13.758 -1.765 115 HH11 ARG 13 1HH1 ARG 13 0.954 15.547 -2.072 116 HH12 ARG 13 2HH1 ARG 13 0.403 16.904 -2.995 117 HH21 ARG 13 1HH2 ARG 13 -2.699 15.519 -3.676 118 HH22 ARG 13 2HH2 ARG 13 -1.668 16.892 -3.896 119 H ALA 14 H ALA 14 1.238 9.465 -1.812 120 HA ALA 14 HA ALA 14 1.664 8.215 -4.314 121 HB1 ALA 14 1HB ALA 14 3.434 7.737 -1.932 122 HB2 ALA 14 2HB ALA 14 3.341 9.340 -2.658 123 HB3 ALA 14 3HB ALA 14 3.880 7.963 -3.622 124 H LEU 15 H LEU 15 1.129 6.952 -1.051 125 HA LEU 15 HA LEU 15 1.560 4.236 -1.630 126 HB2 LEU 15 2HB LEU 15 -0.420 5.321 0.369 127 HB3 LEU 15 1HB LEU 15 0.437 3.787 0.424 128 HG LEU 15 HG LEU 15 1.840 6.470 0.476 129 HD11 LEU 15 1HD1 LEU 15 0.614 6.430 2.489 130 HD12 LEU 15 2HD1 LEU 15 2.208 5.809 2.927 131 HD13 LEU 15 3HD1 LEU 15 0.856 4.697 2.701 132 HD21 LEU 15 1HD2 LEU 15 3.399 4.845 -0.209 133 HD22 LEU 15 2HD2 LEU 15 2.682 3.594 0.803 134 HD23 LEU 15 3HD2 LEU 15 3.608 4.895 1.535 135 H TYR 16 H TYR 16 -1.343 6.257 -1.804 136 HA TYR 16 HA TYR 16 -3.213 4.254 -2.472 137 HB2 TYR 16 2HB TYR 16 -3.845 6.498 -1.728 138 HB3 TYR 16 1HB TYR 16 -3.147 7.191 -3.187 139 HD1 TYR 16 1HD TYR 16 -4.597 7.695 -4.905 140 HD2 TYR 16 2HD TYR 16 -5.562 4.469 -2.242 141 HE1 TYR 16 1HE TYR 16 -6.751 7.375 -6.077 142 HE2 TYR 16 2HE TYR 16 -7.717 4.139 -3.424 143 HH TYR 16 HH TYR 16 -8.968 4.740 -5.156 144 H ASN 17 H ASN 17 -1.211 6.391 -4.487 145 HA ASN 17 HA ASN 17 -2.200 5.536 -6.976 146 HB2 ASN 17 2HB ASN 17 -0.843 7.561 -6.741 147 HB3 ASN 17 1HB ASN 17 0.552 6.590 -6.272 148 HD21 ASN 17 1HD2 ASN 17 1.766 7.297 -8.163 149 HD22 ASN 17 2HD2 ASN 17 1.383 6.729 -9.715 150 H TRP 18 H TRP 18 0.503 4.362 -4.997 151 HA TRP 18 HA TRP 18 1.517 2.437 -6.768 152 HB2 TRP 18 2HB TRP 18 2.787 3.001 -4.808 153 HB3 TRP 18 1HB TRP 18 1.453 2.562 -3.745 154 HD1 TRP 18 HD TRP 18 1.098 0.060 -3.162 155 HE1 TRP 18 1HE TRP 18 2.471 -2.081 -3.594 156 HE3 TRP 18 3HE TRP 18 4.449 1.853 -6.551 157 HZ2 TRP 18 2HZ TRP 18 4.704 -2.928 -5.182 158 HZ3 TRP 18 3HZ TRP 18 6.196 0.376 -7.506 159 HH2 TRP 18 HH TRP 18 6.331 -2.008 -6.826 160 H ALA 19 H ALA 19 -0.968 2.148 -4.236 161 HA ALA 19 HA ALA 19 -1.419 -0.606 -4.543 162 HB1 ALA 19 1HB ALA 19 -3.102 1.655 -3.504 163 HB2 ALA 19 2HB ALA 19 -2.343 0.339 -2.612 164 HB3 ALA 19 3HB ALA 19 -3.754 0.021 -3.622 165 H LYS 20 H LYS 20 -2.904 2.184 -6.140 166 HA LYS 20 HA LYS 20 -4.885 0.761 -7.578 167 HB2 LYS 20 2HB LYS 20 -4.842 3.237 -7.282 168 HB3 LYS 20 1HB LYS 20 -3.478 3.312 -8.397 169 HG2 LYS 20 2HG LYS 20 -4.839 2.293 -10.170 170 HG3 LYS 20 1HG LYS 20 -6.200 2.148 -9.060 171 HD2 LYS 20 2HD LYS 20 -6.277 4.597 -8.814 172 HD3 LYS 20 1HD LYS 20 -4.903 4.754 -9.912 173 HE2 LYS 20 2HE LYS 20 -6.989 5.128 -11.141 174 HE3 LYS 20 1HE LYS 20 -6.231 3.635 -11.691 175 HZ1 LYS 20 1HZ LYS 20 -8.790 3.913 -10.767 176 HZ2 LYS 20 2HZ LYS 20 -7.963 3.192 -9.470 177 HZ3 LYS 20 3HZ LYS 20 -7.960 2.453 -11.000 178 H SER 21 H SER 21 -1.593 1.737 -8.399 179 HA SER 21 HA SER 21 -1.585 0.834 -11.061 180 HB2 SER 21 2HB SER 21 0.731 1.088 -9.137 181 HB3 SER 21 1HB SER 21 0.872 0.885 -10.880 182 HG SER 21 HG SER 21 0.964 3.066 -10.387 183 H HIS 22 H HIS 22 -0.684 -0.812 -8.053 184 HA HIS 22 HA HIS 22 -0.759 -3.383 -9.525 185 HB2 HIS 22 2HB HIS 22 1.335 -2.415 -7.575 186 HB3 HIS 22 1HB HIS 22 1.091 -4.125 -7.935 187 HD1 HIS 22 1HD HIS 22 2.051 -0.870 -9.603 188 HD2 HIS 22 2HD HIS 22 2.097 -4.956 -10.430 189 HE1 HIS 22 1HE HIS 22 3.363 -1.151 -11.749 190 HE2 HIS 22 2HE HIS 22 3.390 -3.637 -12.276 191 H VAL 23 H VAL 23 -2.887 -3.654 -8.714 192 HA VAL 23 HA VAL 23 -3.502 -3.559 -5.934 193 HB VAL 23 HB VAL 23 -5.555 -4.799 -6.589 194 HG11 VAL 23 1HG1 VAL 23 -5.749 -2.463 -6.784 195 HG12 VAL 23 2HG1 VAL 23 -6.218 -3.028 -8.388 196 HG13 VAL 23 3HG1 VAL 23 -4.598 -2.385 -8.119 197 HG21 VAL 23 1HG2 VAL 23 -4.541 -6.223 -8.322 198 HG22 VAL 23 2HG2 VAL 23 -4.201 -4.799 -9.307 199 HG23 VAL 23 3HG2 VAL 23 -5.870 -5.287 -9.007 200 H GLY 24 H GLY 24 -2.112 -5.966 -8.024 201 HA2 GLY 24 2HA GLY 24 -2.660 -8.284 -6.546 202 HA3 GLY 24 1HA GLY 24 -1.268 -8.057 -7.593 203 H LYS 25 H LYS 25 0.153 -6.098 -6.333 204 HA LYS 25 HA LYS 25 1.469 -7.556 -4.336 205 HB2 LYS 25 2HB LYS 25 1.579 -4.616 -5.023 206 HB3 LYS 25 1HB LYS 25 2.711 -5.439 -3.977 207 HG2 LYS 25 2HG LYS 25 2.223 -6.327 -6.801 208 HG3 LYS 25 1HG LYS 25 3.480 -5.178 -6.356 209 HD2 LYS 25 2HD LYS 25 4.254 -6.987 -4.644 210 HD3 LYS 25 1HD LYS 25 3.264 -8.095 -5.599 211 HE2 LYS 25 2HE LYS 25 4.502 -7.485 -7.636 212 HE3 LYS 25 1HE LYS 25 5.503 -6.374 -6.698 213 HZ1 LYS 25 1HZ LYS 25 6.829 -8.138 -6.446 214 HZ2 LYS 25 2HZ LYS 25 5.621 -9.249 -6.888 215 HZ3 LYS 25 3HZ LYS 25 5.699 -8.664 -5.296 216 H VAL 26 H VAL 26 -1.026 -5.070 -4.118 217 HA VAL 26 HA VAL 26 -0.899 -4.672 -1.309 218 HB VAL 26 HB VAL 26 -3.166 -4.337 -3.290 219 HG11 VAL 26 1HG1 VAL 26 -4.210 -4.586 -1.143 220 HG12 VAL 26 2HG1 VAL 26 -4.074 -2.844 -1.401 221 HG13 VAL 26 3HG1 VAL 26 -2.932 -3.672 -0.345 222 HG21 VAL 26 1HG2 VAL 26 -2.580 -1.920 -2.908 223 HG22 VAL 26 2HG2 VAL 26 -1.295 -2.844 -3.688 224 HG23 VAL 26 3HG2 VAL 26 -1.190 -2.462 -1.969 225 H TRP 27 H TRP 27 -2.828 -6.790 -3.383 226 HA TRP 27 HA TRP 27 -4.372 -8.054 -1.401 227 HB2 TRP 27 2HB TRP 27 -3.468 -8.936 -4.143 228 HB3 TRP 27 1HB TRP 27 -4.423 -9.991 -3.104 229 HD1 TRP 27 HD TRP 27 -4.907 -6.205 -3.249 230 HE1 TRP 27 1HE TRP 27 -7.279 -5.709 -4.135 231 HE3 TRP 27 3HE TRP 27 -6.366 -10.925 -4.498 232 HZ2 TRP 27 2HZ TRP 27 -9.519 -7.154 -5.227 233 HZ3 TRP 27 3HZ TRP 27 -8.610 -11.348 -5.454 234 HH2 TRP 27 HH TRP 27 -10.188 -9.471 -5.821 235 H GLU 28 H GLU 28 -1.248 -8.833 -2.801 236 HA GLU 28 HA GLU 28 -0.665 -11.248 -1.630 237 HB2 GLU 28 2HB GLU 28 0.804 -10.390 -3.310 238 HB3 GLU 28 1HB GLU 28 1.122 -8.924 -2.408 239 HG2 GLU 28 2HG GLU 28 3.054 -10.362 -2.246 240 HG3 GLU 28 1HG GLU 28 2.309 -10.305 -0.666 241 H TRP 29 H TRP 29 0.076 -7.953 -0.257 242 HA TRP 29 HA TRP 29 1.070 -9.283 2.131 243 HB2 TRP 29 2HB TRP 29 0.443 -6.362 1.728 244 HB3 TRP 29 1HB TRP 29 1.164 -7.057 3.179 245 HD1 TRP 29 HD TRP 29 3.444 -8.645 2.660 246 HE1 TRP 29 1HE TRP 29 5.346 -8.117 0.987 247 HE3 TRP 29 3HE TRP 29 1.098 -5.232 -0.233 248 HZ2 TRP 29 2HZ TRP 29 5.786 -6.462 -1.296 249 HZ3 TRP 29 3HZ TRP 29 2.233 -4.208 -2.141 250 HH2 TRP 29 HH TRP 29 4.580 -4.817 -2.688 251 H LEU 30 H LEU 30 -2.040 -7.954 1.213 252 HA LEU 30 HA LEU 30 -3.196 -7.944 3.797 253 HB2 LEU 30 2HB LEU 30 -4.249 -8.060 1.008 254 HB3 LEU 30 1HB LEU 30 -5.351 -8.537 2.294 255 HG LEU 30 HG LEU 30 -5.338 -6.056 1.568 256 HD11 LEU 30 1HD1 LEU 30 -4.913 -6.634 4.513 257 HD12 LEU 30 2HD1 LEU 30 -6.398 -7.012 3.642 258 HD13 LEU 30 3HD1 LEU 30 -5.872 -5.338 3.809 259 HD21 LEU 30 1HD2 LEU 30 -2.682 -6.110 1.876 260 HD22 LEU 30 2HD2 LEU 30 -3.101 -5.675 3.522 261 HD23 LEU 30 3HD2 LEU 30 -3.612 -4.655 2.182 262 H LYS 31 H LYS 31 -2.947 -10.540 1.365 263 HA LYS 31 HA LYS 31 -4.365 -12.488 2.881 264 HB2 LYS 31 2HB LYS 31 -2.253 -12.800 0.742 265 HB3 LYS 31 1HB LYS 31 -3.232 -14.120 1.377 266 HG2 LYS 31 2HG LYS 31 -4.433 -11.628 0.147 267 HG3 LYS 31 1HG LYS 31 -4.068 -13.075 -0.790 268 HD2 LYS 31 2HD LYS 31 -5.490 -14.330 0.984 269 HD3 LYS 31 1HD LYS 31 -6.094 -12.732 1.423 270 HE2 LYS 31 2HE LYS 31 -6.167 -13.882 -1.378 271 HE3 LYS 31 1HE LYS 31 -7.533 -13.858 -0.263 272 HZ1 LYS 31 1HZ LYS 31 -6.804 -11.867 -2.004 273 HZ2 LYS 31 2HZ LYS 31 -6.326 -11.289 -0.478 274 HZ3 LYS 31 3HZ LYS 31 -7.940 -11.751 -0.750 275 H SER 32 H SER 32 -0.930 -11.676 2.580 276 HA SER 32 HA SER 32 0.123 -13.749 4.145 277 HB2 SER 32 2HB SER 32 1.100 -10.910 3.789 278 HB3 SER 32 1HB SER 32 2.045 -12.216 4.501 279 HG SER 32 HG SER 32 0.905 -12.902 2.117 280 H GLY 33 H GLY 33 -1.191 -10.599 5.018 281 HA2 GLY 33 2HA GLY 33 -2.402 -10.274 7.061 282 HA3 GLY 33 1HA GLY 33 -1.378 -11.479 7.831 283 H ALA 34 H ALA 34 0.273 -9.279 5.785 284 HA ALA 34 HA ALA 34 1.844 -8.239 7.908 285 HB1 ALA 34 1HB ALA 34 1.708 -6.708 5.355 286 HB2 ALA 34 2HB ALA 34 2.258 -8.379 5.255 287 HB3 ALA 34 3HB ALA 34 3.109 -7.228 6.286 288 H THR 35 H THR 35 1.974 -6.068 8.686 289 HA THR 35 HA THR 35 -0.593 -4.924 9.227 290 HB THR 35 HB THR 35 0.833 -3.089 10.314 291 HG1 THR 35 1HG THR 35 2.805 -4.929 9.459 292 HG21 THR 35 1HG2 THR 35 -0.057 -4.819 11.684 293 HG22 THR 35 2HG2 THR 35 1.660 -4.736 12.078 294 HG23 THR 35 3HG2 THR 35 1.056 -6.013 11.019 295 H TYR 36 H TYR 36 -1.349 -2.852 8.664 296 HA TYR 36 HA TYR 36 -1.041 -2.148 5.951 297 HB2 TYR 36 2HB TYR 36 -2.039 -0.339 8.175 298 HB3 TYR 36 1HB TYR 36 -2.441 -0.247 6.460 299 HD1 TYR 36 1HD TYR 36 -3.228 -2.705 5.506 300 HD2 TYR 36 2HD TYR 36 -3.688 -1.243 9.518 301 HE1 TYR 36 1HE TYR 36 -5.107 -4.283 5.869 302 HE2 TYR 36 2HE TYR 36 -5.565 -2.812 9.875 303 HH TYR 36 HH TYR 36 -6.803 -4.827 7.249 304 H GLU 37 H GLU 37 0.446 -0.974 8.918 305 HA GLU 37 HA GLU 37 1.744 1.286 7.843 306 HB2 GLU 37 2HB GLU 37 1.426 0.910 10.243 307 HB3 GLU 37 1HB GLU 37 2.552 -0.446 10.181 308 HG2 GLU 37 2HG GLU 37 4.336 1.071 9.403 309 HG3 GLU 37 1HG GLU 37 3.203 2.422 9.452 310 H GLN 38 H GLN 38 2.860 -2.040 8.367 311 HA GLN 38 HA GLN 38 5.472 -1.636 7.408 312 HB2 GLN 38 2HB GLN 38 4.812 -3.601 8.695 313 HB3 GLN 38 1HB GLN 38 3.771 -4.142 7.381 314 HG2 GLN 38 2HG GLN 38 5.697 -4.368 5.903 315 HG3 GLN 38 1HG GLN 38 6.764 -3.719 7.150 316 HE21 GLN 38 1HE2 GLN 38 7.895 -5.362 8.193 317 HE22 GLN 38 2HE2 GLN 38 7.302 -6.926 8.482 318 H ILE 39 H ILE 39 2.460 -2.493 5.754 319 HA ILE 39 HA ILE 39 3.550 -3.024 3.218 320 HB ILE 39 HB ILE 39 0.831 -1.996 4.034 321 HG12 ILE 39 2HG1 ILE 39 1.659 -4.718 3.015 322 HG13 ILE 39 1HG1 ILE 39 1.674 -4.307 4.729 323 HG21 ILE 39 1HG2 ILE 39 0.964 -1.326 1.780 324 HG22 ILE 39 2HG2 ILE 39 0.230 -2.925 1.684 325 HG23 ILE 39 3HG2 ILE 39 1.948 -2.721 1.324 326 HD11 ILE 39 1HD1 ILE 39 -0.634 -4.113 4.846 327 HD12 ILE 39 2HD1 ILE 39 -0.464 -5.400 3.658 328 HD13 ILE 39 3HD1 ILE 39 -0.798 -3.755 3.127 329 H LYS 40 H LYS 40 2.263 0.108 4.558 330 HA LYS 40 HA LYS 40 2.893 1.422 2.089 331 HB2 LYS 40 2HB LYS 40 2.835 3.588 3.242 332 HB3 LYS 40 1HB LYS 40 1.361 2.622 3.504 333 HG2 LYS 40 2HG LYS 40 2.103 1.976 5.708 334 HG3 LYS 40 1HG LYS 40 3.681 2.730 5.459 335 HD2 LYS 40 2HD LYS 40 2.527 4.930 5.170 336 HD3 LYS 40 1HD LYS 40 1.000 4.145 5.554 337 HE2 LYS 40 2HE LYS 40 1.786 3.579 7.780 338 HE3 LYS 40 1HE LYS 40 3.397 4.193 7.404 339 HZ1 LYS 40 1HZ LYS 40 2.755 6.276 7.767 340 HZ2 LYS 40 2HZ LYS 40 1.363 5.632 8.494 341 HZ3 LYS 40 3HZ LYS 40 1.334 6.097 6.861 342 H GLU 41 H GLU 41 4.707 0.778 5.028 343 HA GLU 41 HA GLU 41 6.834 2.500 4.607 344 HB2 GLU 41 2HB GLU 41 6.515 1.189 6.649 345 HB3 GLU 41 1HB GLU 41 6.941 -0.274 5.758 346 HG2 GLU 41 2HG GLU 41 9.153 0.645 5.256 347 HG3 GLU 41 1HG GLU 41 8.737 2.146 6.083 348 H TRP 42 H TRP 42 6.423 -0.869 3.475 349 HA TRP 42 HA TRP 42 8.906 -0.897 2.107 350 HB2 TRP 42 2HB TRP 42 6.387 -2.483 1.587 351 HB3 TRP 42 1HB TRP 42 7.923 -2.771 0.786 352 HD1 TRP 42 HD TRP 42 9.859 -2.497 3.348 353 HE1 TRP 42 1HE TRP 42 9.864 -4.384 5.081 354 HE3 TRP 42 3HE TRP 42 5.290 -4.602 2.392 355 HZ2 TRP 42 2HZ TRP 42 8.170 -6.526 5.959 356 HZ3 TRP 42 3HZ TRP 42 4.523 -6.570 3.689 357 HH2 TRP 42 HH TRP 42 5.955 -7.534 5.470 358 H ILE 43 H ILE 43 5.647 0.004 1.122 359 HA ILE 43 HA ILE 43 6.205 0.334 -1.624 360 HB ILE 43 HB ILE 43 4.161 1.639 0.177 361 HG12 ILE 43 2HG1 ILE 43 3.831 -0.508 -1.940 362 HG13 ILE 43 1HG1 ILE 43 4.090 -0.869 -0.230 363 HG21 ILE 43 1HG2 ILE 43 4.581 1.806 -2.807 364 HG22 ILE 43 2HG2 ILE 43 4.395 3.128 -1.655 365 HG23 ILE 43 3HG2 ILE 43 3.011 2.111 -2.059 366 HD11 ILE 43 1HD1 ILE 43 2.043 0.144 0.404 367 HD12 ILE 43 2HD1 ILE 43 1.646 -0.772 -1.045 368 HD13 ILE 43 3HD1 ILE 43 1.874 0.974 -1.141 369 H GLU 44 H GLU 44 6.308 2.738 1.021 370 HA GLU 44 HA GLU 44 7.014 4.827 -0.736 371 HB2 GLU 44 2HB GLU 44 7.266 6.218 1.201 372 HB3 GLU 44 1HB GLU 44 5.849 5.185 1.424 373 HG2 GLU 44 2HG GLU 44 6.686 4.372 3.347 374 HG3 GLU 44 1HG GLU 44 8.122 3.794 2.516 375 H ASN 45 H ASN 45 8.979 2.497 1.162 376 HA ASN 45 HA ASN 45 11.449 3.796 0.753 377 HB2 ASN 45 2HB ASN 45 10.646 0.926 1.231 378 HB3 ASN 45 1HB ASN 45 12.330 1.372 0.951 379 HD21 ASN 45 1HD2 ASN 45 11.432 0.337 3.528 380 HD22 ASN 45 2HD2 ASN 45 11.574 1.598 4.658 381 H ALA 46 H ALA 46 9.634 1.410 -1.224 382 HA ALA 46 HA ALA 46 11.663 1.090 -3.180 383 HB1 ALA 46 1HB ALA 46 8.668 0.687 -3.289 384 HB2 ALA 46 2HB ALA 46 9.913 -0.542 -3.061 385 HB3 ALA 46 3HB ALA 46 9.752 0.272 -4.617 386 H LEU 47 H LEU 47 8.920 3.295 -2.890 387 HA LEU 47 HA LEU 47 9.098 4.513 -5.409 388 HB2 LEU 47 2HB LEU 47 7.329 4.720 -3.488 389 HB3 LEU 47 1HB LEU 47 8.340 6.059 -2.949 390 HG LEU 47 HG LEU 47 7.224 5.804 -5.764 391 HD11 LEU 47 1HD1 LEU 47 6.290 7.526 -3.450 392 HD12 LEU 47 2HD1 LEU 47 5.439 6.119 -4.089 393 HD13 LEU 47 3HD1 LEU 47 5.639 7.557 -5.089 394 HD21 LEU 47 1HD2 LEU 47 8.936 7.824 -4.333 395 HD22 LEU 47 2HD2 LEU 47 7.788 8.398 -5.543 396 HD23 LEU 47 3HD2 LEU 47 9.035 7.248 -5.997 397 H GLY 48 H GLY 48 10.657 5.368 -2.301 398 HA2 GLY 48 2HA GLY 48 11.963 7.705 -3.188 399 HA3 GLY 48 1HA GLY 48 12.453 6.712 -1.817 400 H TRP 49 H TRP 49 12.967 4.294 -3.158 401 HA TRP 49 HA TRP 49 15.621 4.651 -4.006 402 HB2 TRP 49 2HB TRP 49 14.904 2.517 -3.143 403 HB3 TRP 49 1HB TRP 49 13.716 2.342 -4.433 404 HD1 TRP 49 HD TRP 49 17.478 2.247 -3.777 405 HE1 TRP 49 1HE TRP 49 18.641 1.076 -5.757 406 HE3 TRP 49 3HE TRP 49 13.527 1.785 -6.990 407 HZ2 TRP 49 2HZ TRP 49 17.991 0.075 -8.350 408 HZ3 TRP 49 3HZ TRP 49 13.834 0.720 -9.209 409 HH2 TRP 49 HH TRP 49 16.059 -0.133 -9.892 410 H ARG 50 H ARG 50 12.611 4.303 -5.872 411 HA ARG 50 HA ARG 50 13.749 4.098 -8.433 412 HB2 ARG 50 2HB ARG 50 11.122 5.269 -7.503 413 HB3 ARG 50 1HB ARG 50 11.542 5.069 -9.203 414 HG2 ARG 50 2HG ARG 50 11.867 2.646 -8.840 415 HG3 ARG 50 1HG ARG 50 11.440 2.847 -7.144 416 HD2 ARG 50 2HD ARG 50 9.206 3.664 -7.790 417 HD3 ARG 50 1HD ARG 50 9.629 3.489 -9.488 418 HE ARG 50 HE ARG 50 9.059 1.320 -7.603 419 HH11 ARG 50 1HH1 ARG 50 8.715 -0.690 -8.590 420 HH12 ARG 50 2HH1 ARG 50 9.065 -0.896 -10.274 421 HH21 ARG 50 1HH2 ARG 50 10.162 2.355 -10.725 422 HH22 ARG 50 2HH2 ARG 50 9.892 0.816 -11.474 Start of MODEL 19 1 H FME 1 H FME 1 -12.190 -5.071 1.366 2 HCN FME 1 HF FME 1 -12.689 -4.257 3.499 3 HA FME 1 HA FME 1 -9.661 -3.985 1.251 4 HB2 FME 1 1HB FME 1 -11.628 -3.997 -1.052 5 HB3 FME 1 2HB FME 1 -10.734 -5.414 -0.505 6 HG2 FME 1 1HG FME 1 -8.610 -4.289 -0.969 7 HG3 FME 1 2HG FME 1 -9.468 -2.822 -1.443 8 HE1 FME 1 1HE FME 1 -7.917 -4.229 -4.664 9 HE2 FME 1 2HE FME 1 -7.511 -3.562 -3.082 10 HE3 FME 1 3HE FME 1 -8.614 -2.689 -4.142 11 H ALA 2 H ALA 2 -12.744 -2.342 0.944 12 HA ALA 2 HA ALA 2 -11.813 0.082 -0.143 13 HB1 ALA 2 1HB ALA 2 -14.116 -0.240 1.792 14 HB2 ALA 2 2HB ALA 2 -14.218 -0.622 0.072 15 HB3 ALA 2 3HB ALA 2 -13.897 1.033 0.591 16 H GLY 3 H GLY 3 -12.104 -1.012 3.217 17 HA2 GLY 3 2HA GLY 3 -11.407 1.403 4.488 18 HA3 GLY 3 1HA GLY 3 -11.203 -0.205 5.171 19 H LEU 4 H LEU 4 -9.457 -1.284 3.299 20 HA LEU 4 HA LEU 4 -6.961 -0.487 4.271 21 HB2 LEU 4 2HB LEU 4 -7.588 -2.709 3.301 22 HB3 LEU 4 1HB LEU 4 -7.651 -1.969 1.715 23 HG LEU 4 HG LEU 4 -5.513 -3.308 2.555 24 HD11 LEU 4 1HD1 LEU 4 -4.112 -1.747 1.079 25 HD12 LEU 4 2HD1 LEU 4 -5.589 -0.812 0.878 26 HD13 LEU 4 3HD1 LEU 4 -5.536 -2.490 0.361 27 HD21 LEU 4 1HD2 LEU 4 -4.822 -0.499 3.448 28 HD22 LEU 4 2HD2 LEU 4 -3.771 -1.906 3.455 29 HD23 LEU 4 3HD2 LEU 4 -5.153 -1.839 4.544 30 H LEU 5 H LEU 5 -8.586 0.206 1.197 31 HA LEU 5 HA LEU 5 -6.503 1.707 0.020 32 HB2 LEU 5 2HB LEU 5 -9.499 1.735 -0.390 33 HB3 LEU 5 1HB LEU 5 -8.369 2.635 -1.401 34 HG LEU 5 HG LEU 5 -8.255 -0.365 -0.958 35 HD11 LEU 5 1HD1 LEU 5 -9.107 -0.512 -3.289 36 HD12 LEU 5 2HD1 LEU 5 -9.317 1.239 -3.305 37 HD13 LEU 5 3HD1 LEU 5 -10.273 0.248 -2.205 38 HD21 LEU 5 1HD2 LEU 5 -6.847 0.055 -3.212 39 HD22 LEU 5 2HD2 LEU 5 -6.095 0.146 -1.622 40 HD23 LEU 5 3HD2 LEU 5 -6.583 1.624 -2.452 41 H ARG 6 H ARG 6 -9.308 2.647 1.980 42 HA ARG 6 HA ARG 6 -8.969 5.436 1.843 43 HB2 ARG 6 2HB ARG 6 -10.994 4.304 2.745 44 HB3 ARG 6 1HB ARG 6 -10.066 3.815 4.158 45 HG2 ARG 6 2HG ARG 6 -9.930 6.727 3.544 46 HG3 ARG 6 1HG ARG 6 -11.530 6.148 3.990 47 HD2 ARG 6 2HD ARG 6 -9.023 5.651 5.615 48 HD3 ARG 6 1HD ARG 6 -10.196 6.921 5.950 49 HE ARG 6 HE ARG 6 -11.645 4.551 5.847 50 HH11 ARG 6 1HH1 ARG 6 -12.101 3.386 7.755 51 HH12 ARG 6 2HH1 ARG 6 -11.094 3.595 9.147 52 HH21 ARG 6 1HH2 ARG 6 -9.005 5.901 7.604 53 HH22 ARG 6 2HH2 ARG 6 -9.336 5.031 9.065 54 H PHE 7 H PHE 7 -7.697 3.053 4.154 55 HA PHE 7 HA PHE 7 -6.426 4.846 5.889 56 HB2 PHE 7 2HB PHE 7 -6.775 2.421 6.331 57 HB3 PHE 7 1HB PHE 7 -5.548 2.053 5.121 58 HD1 PHE 7 1HD PHE 7 -3.247 2.103 5.651 59 HD2 PHE 7 2HD PHE 7 -6.095 3.833 8.365 60 HE1 PHE 7 1HE PHE 7 -1.469 2.346 7.363 61 HE2 PHE 7 2HE PHE 7 -4.312 4.077 10.075 62 HZ PHE 7 HZ PHE 7 -2.002 3.331 9.573 63 H LEU 8 H LEU 8 -5.216 3.191 2.959 64 HA LEU 8 HA LEU 8 -2.583 4.187 3.192 65 HB2 LEU 8 2HB LEU 8 -4.205 3.160 0.872 66 HB3 LEU 8 1HB LEU 8 -2.578 3.791 0.628 67 HG LEU 8 HG LEU 8 -3.080 1.720 2.761 68 HD11 LEU 8 1HD1 LEU 8 -4.065 0.862 0.661 69 HD12 LEU 8 2HD1 LEU 8 -2.608 -0.028 1.092 70 HD13 LEU 8 3HD1 LEU 8 -2.555 1.191 -0.182 71 HD21 LEU 8 1HD2 LEU 8 -0.849 3.096 2.229 72 HD22 LEU 8 2HD2 LEU 8 -0.657 1.864 0.986 73 HD23 LEU 8 3HD2 LEU 8 -0.783 1.397 2.682 74 H LEU 9 H LEU 9 -5.447 5.442 1.542 75 HA LEU 9 HA LEU 9 -4.212 7.647 0.288 76 HB2 LEU 9 2HB LEU 9 -6.625 6.591 0.057 77 HB3 LEU 9 1HB LEU 9 -7.034 7.809 1.266 78 HG LEU 9 HG LEU 9 -5.652 8.380 -1.372 79 HD11 LEU 9 1HD1 LEU 9 -8.510 8.873 -0.496 80 HD12 LEU 9 2HD1 LEU 9 -7.991 7.630 -1.634 81 HD13 LEU 9 3HD1 LEU 9 -7.810 9.334 -2.047 82 HD21 LEU 9 1HD2 LEU 9 -5.025 10.171 -0.023 83 HD22 LEU 9 2HD2 LEU 9 -6.468 10.057 0.984 84 HD23 LEU 9 3HD2 LEU 9 -6.571 10.760 -0.634 85 H SER 10 H SER 10 -5.801 7.325 3.468 86 HA SER 10 HA SER 10 -5.619 10.025 4.244 87 HB2 SER 10 2HB SER 10 -5.581 7.560 5.989 88 HB3 SER 10 1HB SER 10 -5.887 9.203 6.542 89 HG SER 10 HG SER 10 -7.422 8.581 4.409 90 H LYS 11 H LYS 11 -3.329 7.331 4.631 91 HA LYS 11 HA LYS 11 -1.477 8.877 6.175 92 HB2 LYS 11 2HB LYS 11 -1.109 6.336 4.572 93 HB3 LYS 11 1HB LYS 11 0.134 7.035 5.606 94 HG2 LYS 11 2HG LYS 11 -2.626 6.259 6.594 95 HG3 LYS 11 1HG LYS 11 -1.220 5.202 6.700 96 HD2 LYS 11 2HD LYS 11 -0.086 7.242 7.889 97 HD3 LYS 11 1HD LYS 11 -1.741 7.796 8.141 98 HE2 LYS 11 2HE LYS 11 -2.311 5.691 9.251 99 HE3 LYS 11 1HE LYS 11 -0.675 5.090 8.979 100 HZ1 LYS 11 1HZ LYS 11 0.196 6.855 10.336 101 HZ2 LYS 11 2HZ LYS 11 -0.995 6.020 11.214 102 HZ3 LYS 11 3HZ LYS 11 -1.346 7.533 10.528 103 H GLY 12 H GLY 12 -1.709 8.105 2.702 104 HA2 GLY 12 2HA GLY 12 -0.343 10.539 2.017 105 HA3 GLY 12 1HA GLY 12 0.663 9.121 1.760 106 H ARG 13 H ARG 13 -0.066 10.785 -0.338 107 HA ARG 13 HA ARG 13 -2.300 9.534 -1.734 108 HB2 ARG 13 2HB ARG 13 -1.944 11.981 -1.877 109 HB3 ARG 13 1HB ARG 13 -0.396 11.687 -2.671 110 HG2 ARG 13 2HG ARG 13 -1.553 10.476 -4.485 111 HG3 ARG 13 1HG ARG 13 -3.103 10.780 -3.696 112 HD2 ARG 13 2HD ARG 13 -2.636 13.237 -3.861 113 HD3 ARG 13 1HD ARG 13 -1.192 12.861 -4.792 114 HE ARG 13 HE ARG 13 -3.954 12.637 -5.706 115 HH11 ARG 13 1HH1 ARG 13 -4.182 12.261 -7.923 116 HH12 ARG 13 2HH1 ARG 13 -2.798 11.822 -8.871 117 HH21 ARG 13 1HH2 ARG 13 -0.612 11.885 -6.174 118 HH22 ARG 13 2HH2 ARG 13 -0.768 11.607 -7.876 119 H ALA 14 H ALA 14 1.201 9.559 -1.765 120 HA ALA 14 HA ALA 14 1.634 8.340 -4.269 121 HB1 ALA 14 1HB ALA 14 3.185 8.454 -1.694 122 HB2 ALA 14 2HB ALA 14 3.552 9.222 -3.237 123 HB3 ALA 14 3HB ALA 14 3.762 7.479 -3.047 124 H LEU 15 H LEU 15 1.057 7.003 -1.030 125 HA LEU 15 HA LEU 15 1.469 4.299 -1.644 126 HB2 LEU 15 2HB LEU 15 -0.536 5.434 0.330 127 HB3 LEU 15 1HB LEU 15 0.258 3.866 0.392 128 HG LEU 15 HG LEU 15 1.748 6.494 0.491 129 HD11 LEU 15 1HD1 LEU 15 0.694 4.720 2.694 130 HD12 LEU 15 2HD1 LEU 15 0.474 6.455 2.486 131 HD13 LEU 15 3HD1 LEU 15 2.054 5.817 2.944 132 HD21 LEU 15 1HD2 LEU 15 2.492 3.586 0.753 133 HD22 LEU 15 2HD2 LEU 15 3.473 4.841 1.505 134 HD23 LEU 15 3HD2 LEU 15 3.241 4.837 -0.238 135 H TYR 16 H TYR 16 -1.427 6.342 -1.805 136 HA TYR 16 HA TYR 16 -3.310 4.367 -2.508 137 HB2 TYR 16 2HB TYR 16 -3.976 6.584 -1.719 138 HB3 TYR 16 1HB TYR 16 -3.264 7.330 -3.146 139 HD1 TYR 16 1HD TYR 16 -4.666 7.813 -4.921 140 HD2 TYR 16 2HD TYR 16 -5.678 4.607 -2.257 141 HE1 TYR 16 1HE TYR 16 -6.792 7.481 -6.140 142 HE2 TYR 16 2HE TYR 16 -7.807 4.267 -3.471 143 HH TYR 16 HH TYR 16 -8.797 4.728 -5.634 144 H ASN 17 H ASN 17 -1.295 6.503 -4.500 145 HA ASN 17 HA ASN 17 -2.259 5.649 -7.017 146 HB2 ASN 17 2HB ASN 17 0.324 6.887 -6.099 147 HB3 ASN 17 1HB ASN 17 0.075 6.434 -7.784 148 HD21 ASN 17 1HD2 ASN 17 0.378 9.181 -7.031 149 HD22 ASN 17 2HD2 ASN 17 -1.102 9.969 -7.286 150 H TRP 18 H TRP 18 0.436 4.493 -5.008 151 HA TRP 18 HA TRP 18 1.492 2.592 -6.769 152 HB2 TRP 18 2HB TRP 18 2.722 3.151 -4.788 153 HB3 TRP 18 1HB TRP 18 1.373 2.693 -3.744 154 HD1 TRP 18 HD TRP 18 1.023 0.161 -3.216 155 HE1 TRP 18 1HE TRP 18 2.447 -1.946 -3.644 156 HE3 TRP 18 3HE TRP 18 4.426 2.064 -6.508 157 HZ2 TRP 18 2HZ TRP 18 4.728 -2.721 -5.198 158 HZ3 TRP 18 3HZ TRP 18 6.210 0.626 -7.449 159 HH2 TRP 18 HH TRP 18 6.365 -1.760 -6.798 160 H ALA 19 H ALA 19 -1.036 2.249 -4.286 161 HA ALA 19 HA ALA 19 -1.488 -0.508 -4.604 162 HB1 ALA 19 1HB ALA 19 -3.721 -0.007 -3.565 163 HB2 ALA 19 2HB ALA 19 -3.335 1.711 -3.688 164 HB3 ALA 19 3HB ALA 19 -2.352 0.656 -2.672 165 H LYS 20 H LYS 20 -2.979 2.301 -6.150 166 HA LYS 20 HA LYS 20 -4.924 0.912 -7.641 167 HB2 LYS 20 2HB LYS 20 -4.908 3.372 -7.284 168 HB3 LYS 20 1HB LYS 20 -3.520 3.493 -8.368 169 HG2 LYS 20 2HG LYS 20 -4.829 2.513 -10.192 170 HG3 LYS 20 1HG LYS 20 -6.212 2.322 -9.114 171 HD2 LYS 20 2HD LYS 20 -6.292 4.768 -8.784 172 HD3 LYS 20 1HD LYS 20 -4.920 4.959 -9.879 173 HE2 LYS 20 2HE LYS 20 -6.226 3.906 -11.696 174 HE3 LYS 20 1HE LYS 20 -7.599 3.740 -10.602 175 HZ1 LYS 20 1HZ LYS 20 -6.782 5.994 -12.098 176 HZ2 LYS 20 2HZ LYS 20 -6.783 6.376 -10.442 177 HZ3 LYS 20 3HZ LYS 20 -8.191 5.778 -11.179 178 H SER 21 H SER 21 -1.617 1.902 -8.435 179 HA SER 21 HA SER 21 -1.575 1.023 -11.104 180 HB2 SER 21 2HB SER 21 0.104 2.527 -10.138 181 HB3 SER 21 1HB SER 21 0.698 1.217 -9.121 182 HG SER 21 HG SER 21 1.915 1.408 -11.038 183 H HIS 22 H HIS 22 -0.686 -0.672 -8.101 184 HA HIS 22 HA HIS 22 -0.823 -3.216 -9.607 185 HB2 HIS 22 2HB HIS 22 1.362 -2.295 -7.742 186 HB3 HIS 22 1HB HIS 22 1.095 -3.996 -8.120 187 HD1 HIS 22 1HD HIS 22 2.002 -0.717 -9.787 188 HD2 HIS 22 2HD HIS 22 2.014 -4.797 -10.637 189 HE1 HIS 22 1HE HIS 22 3.248 -0.991 -11.975 190 HE2 HIS 22 2HE HIS 22 3.256 -3.473 -12.513 191 H VAL 23 H VAL 23 -2.891 -3.571 -8.729 192 HA VAL 23 HA VAL 23 -3.432 -3.496 -5.932 193 HB VAL 23 HB VAL 23 -5.499 -4.715 -6.535 194 HG11 VAL 23 1HG1 VAL 23 -6.248 -2.991 -8.321 195 HG12 VAL 23 2HG1 VAL 23 -4.618 -2.338 -8.170 196 HG13 VAL 23 3HG1 VAL 23 -5.687 -2.373 -6.768 197 HG21 VAL 23 1HG2 VAL 23 -4.538 -6.168 -8.289 198 HG22 VAL 23 2HG2 VAL 23 -4.262 -4.757 -9.311 199 HG23 VAL 23 3HG2 VAL 23 -5.908 -5.252 -8.914 200 H GLY 24 H GLY 24 -2.082 -5.876 -8.076 201 HA2 GLY 24 2HA GLY 24 -2.559 -8.220 -6.606 202 HA3 GLY 24 1HA GLY 24 -1.217 -7.971 -7.713 203 H LYS 25 H LYS 25 0.160 -5.917 -6.428 204 HA LYS 25 HA LYS 25 1.638 -7.389 -4.540 205 HB2 LYS 25 2HB LYS 25 1.585 -4.407 -5.089 206 HB3 LYS 25 1HB LYS 25 2.806 -5.241 -4.154 207 HG2 LYS 25 2HG LYS 25 2.164 -5.972 -6.996 208 HG3 LYS 25 1HG LYS 25 3.447 -4.849 -6.546 209 HD2 LYS 25 2HD LYS 25 4.231 -6.821 -4.960 210 HD3 LYS 25 1HD LYS 25 3.269 -7.811 -6.062 211 HE2 LYS 25 2HE LYS 25 5.369 -7.848 -7.074 212 HE3 LYS 25 1HE LYS 25 4.554 -6.547 -7.935 213 HZ1 LYS 25 1HZ LYS 25 6.928 -6.228 -6.881 214 HZ2 LYS 25 2HZ LYS 25 6.017 -5.860 -5.495 215 HZ3 LYS 25 3HZ LYS 25 5.803 -4.962 -6.921 216 H VAL 26 H VAL 26 -0.933 -5.002 -4.125 217 HA VAL 26 HA VAL 26 -0.718 -4.751 -1.294 218 HB VAL 26 HB VAL 26 -3.033 -4.315 -3.196 219 HG11 VAL 26 1HG1 VAL 26 -4.012 -3.008 -1.270 220 HG12 VAL 26 2HG1 VAL 26 -2.779 -3.724 -0.231 221 HG13 VAL 26 3HG1 VAL 26 -3.978 -4.754 -1.016 222 HG21 VAL 26 1HG2 VAL 26 -1.347 -2.282 -1.708 223 HG22 VAL 26 2HG2 VAL 26 -2.462 -1.991 -3.044 224 HG23 VAL 26 3HG2 VAL 26 -0.947 -2.843 -3.332 225 H TRP 27 H TRP 27 -2.654 -6.765 -3.444 226 HA TRP 27 HA TRP 27 -4.164 -8.142 -1.529 227 HB2 TRP 27 2HB TRP 27 -3.165 -8.932 -4.262 228 HB3 TRP 27 1HB TRP 27 -4.172 -9.993 -3.279 229 HD1 TRP 27 HD TRP 27 -4.960 -6.381 -2.801 230 HE1 TRP 27 1HE TRP 27 -7.155 -5.790 -4.010 231 HE3 TRP 27 3HE TRP 27 -5.617 -10.621 -5.566 232 HZ2 TRP 27 2HZ TRP 27 -8.947 -6.950 -5.905 233 HZ3 TRP 27 3HZ TRP 27 -7.578 -10.851 -7.065 234 HH2 TRP 27 HH TRP 27 -9.242 -9.022 -7.236 235 H GLU 28 H GLU 28 -1.012 -8.841 -2.950 236 HA GLU 28 HA GLU 28 -0.370 -11.275 -1.869 237 HB2 GLU 28 2HB GLU 28 0.990 -10.154 -3.555 238 HB3 GLU 28 1HB GLU 28 1.394 -8.869 -2.438 239 HG2 GLU 28 2HG GLU 28 3.271 -10.332 -2.547 240 HG3 GLU 28 1HG GLU 28 2.519 -10.584 -0.980 241 H TRP 29 H TRP 29 0.332 -8.008 -0.389 242 HA TRP 29 HA TRP 29 1.347 -9.406 1.962 243 HB2 TRP 29 2HB TRP 29 0.714 -6.492 1.570 244 HB3 TRP 29 1HB TRP 29 1.498 -7.173 3.004 245 HD1 TRP 29 HD TRP 29 3.671 -8.945 2.239 246 HE1 TRP 29 1HE TRP 29 5.499 -8.440 0.482 247 HE3 TRP 29 3HE TRP 29 1.398 -5.183 -0.297 248 HZ2 TRP 29 2HZ TRP 29 5.918 -6.665 -1.720 249 HZ3 TRP 29 3HZ TRP 29 2.496 -4.128 -2.210 250 HH2 TRP 29 HH TRP 29 4.756 -4.856 -2.935 251 H LEU 30 H LEU 30 -1.784 -8.053 1.108 252 HA LEU 30 HA LEU 30 -2.890 -8.077 3.705 253 HB2 LEU 30 2HB LEU 30 -4.055 -8.377 0.949 254 HB3 LEU 30 1HB LEU 30 -5.077 -8.596 2.368 255 HG LEU 30 HG LEU 30 -3.357 -6.144 1.882 256 HD11 LEU 30 1HD1 LEU 30 -6.358 -6.352 1.536 257 HD12 LEU 30 2HD1 LEU 30 -5.234 -6.555 0.191 258 HD13 LEU 30 3HD1 LEU 30 -5.300 -5.025 1.061 259 HD21 LEU 30 1HD2 LEU 30 -5.309 -5.346 3.577 260 HD22 LEU 30 2HD2 LEU 30 -3.797 -6.034 4.149 261 HD23 LEU 30 3HD2 LEU 30 -5.235 -7.047 4.037 262 H LYS 31 H LYS 31 -2.639 -10.626 1.237 263 HA LYS 31 HA LYS 31 -4.008 -12.630 2.702 264 HB2 LYS 31 2HB LYS 31 -3.545 -12.762 0.267 265 HB3 LYS 31 1HB LYS 31 -1.833 -12.981 0.629 266 HG2 LYS 31 2HG LYS 31 -2.368 -15.023 1.916 267 HG3 LYS 31 1HG LYS 31 -4.078 -14.804 1.543 268 HD2 LYS 31 2HD LYS 31 -3.593 -15.010 -0.863 269 HD3 LYS 31 1HD LYS 31 -1.877 -15.214 -0.508 270 HE2 LYS 31 2HE LYS 31 -2.919 -17.406 -0.859 271 HE3 LYS 31 1HE LYS 31 -2.428 -17.246 0.828 272 HZ1 LYS 31 1HZ LYS 31 -5.043 -16.219 0.400 273 HZ2 LYS 31 2HZ LYS 31 -4.519 -17.407 1.496 274 HZ3 LYS 31 3HZ LYS 31 -4.945 -17.838 -0.093 275 H SER 32 H SER 32 -0.589 -11.760 2.428 276 HA SER 32 HA SER 32 0.501 -13.829 3.985 277 HB2 SER 32 2HB SER 32 1.465 -10.983 3.659 278 HB3 SER 32 1HB SER 32 2.425 -12.322 4.279 279 HG SER 32 HG SER 32 2.632 -11.838 1.972 280 H GLY 33 H GLY 33 -0.776 -10.653 4.918 281 HA2 GLY 33 2HA GLY 33 -1.962 -10.441 7.023 282 HA3 GLY 33 1HA GLY 33 -0.826 -11.577 7.736 283 H ALA 34 H ALA 34 0.574 -9.267 5.624 284 HA ALA 34 HA ALA 34 2.158 -8.144 7.694 285 HB1 ALA 34 1HB ALA 34 3.323 -7.155 6.001 286 HB2 ALA 34 2HB ALA 34 1.867 -6.567 5.195 287 HB3 ALA 34 3HB ALA 34 2.379 -8.244 4.983 288 H THR 35 H THR 35 2.136 -6.005 8.548 289 HA THR 35 HA THR 35 -0.508 -5.018 9.095 290 HB THR 35 HB THR 35 0.799 -3.182 10.300 291 HG1 THR 35 1HG THR 35 3.018 -3.736 10.596 292 HG21 THR 35 1HG2 THR 35 1.351 -4.664 12.141 293 HG22 THR 35 2HG2 THR 35 1.442 -6.049 11.050 294 HG23 THR 35 3HG2 THR 35 -0.110 -5.266 11.356 295 H TYR 36 H TYR 36 -1.262 -2.855 8.706 296 HA TYR 36 HA TYR 36 -0.990 -2.025 6.036 297 HB2 TYR 36 2HB TYR 36 -1.958 -0.322 8.341 298 HB3 TYR 36 1HB TYR 36 -2.348 -0.127 6.631 299 HD1 TYR 36 1HD TYR 36 -3.150 -2.535 5.554 300 HD2 TYR 36 2HD TYR 36 -3.679 -1.248 9.615 301 HE1 TYR 36 1HE TYR 36 -5.062 -4.079 5.784 302 HE2 TYR 36 2HE TYR 36 -5.602 -2.801 9.849 303 HH TYR 36 HH TYR 36 -6.816 -4.648 7.079 304 H GLU 37 H GLU 37 0.479 -0.842 9.014 305 HA GLU 37 HA GLU 37 1.758 1.394 7.917 306 HB2 GLU 37 2HB GLU 37 1.486 1.031 10.329 307 HB3 GLU 37 1HB GLU 37 2.621 -0.321 10.243 308 HG2 GLU 37 2HG GLU 37 4.385 1.190 9.446 309 HG3 GLU 37 1HG GLU 37 3.254 2.543 9.489 310 H GLN 38 H GLN 38 2.966 -1.910 8.449 311 HA GLN 38 HA GLN 38 5.558 -1.536 7.440 312 HB2 GLN 38 2HB GLN 38 4.989 -3.485 8.716 313 HB3 GLN 38 1HB GLN 38 3.772 -3.965 7.536 314 HG2 GLN 38 2HG GLN 38 5.473 -4.365 5.868 315 HG3 GLN 38 1HG GLN 38 6.726 -3.718 6.929 316 HE21 GLN 38 1HE2 GLN 38 5.476 -6.593 5.852 317 HE22 GLN 38 2HE2 GLN 38 5.892 -7.587 7.163 318 H ILE 39 H ILE 39 2.539 -2.452 5.820 319 HA ILE 39 HA ILE 39 3.595 -2.967 3.276 320 HB ILE 39 HB ILE 39 0.884 -1.999 4.177 321 HG12 ILE 39 2HG1 ILE 39 1.748 -4.687 3.090 322 HG13 ILE 39 1HG1 ILE 39 1.781 -4.308 4.810 323 HG21 ILE 39 1HG2 ILE 39 0.933 -1.289 1.940 324 HG22 ILE 39 2HG2 ILE 39 0.260 -2.918 1.815 325 HG23 ILE 39 3HG2 ILE 39 1.960 -2.632 1.437 326 HD11 ILE 39 1HD1 ILE 39 -0.334 -5.469 3.883 327 HD12 ILE 39 2HD1 ILE 39 -0.720 -3.903 3.168 328 HD13 ILE 39 3HD1 ILE 39 -0.567 -4.061 4.920 329 H LYS 40 H LYS 40 2.281 0.156 4.646 330 HA LYS 40 HA LYS 40 2.834 1.456 2.152 331 HB2 LYS 40 2HB LYS 40 2.750 3.643 3.282 332 HB3 LYS 40 1HB LYS 40 1.290 2.649 3.561 333 HG2 LYS 40 2HG LYS 40 2.057 2.031 5.764 334 HG3 LYS 40 1HG LYS 40 3.623 2.799 5.493 335 HD2 LYS 40 2HD LYS 40 2.463 4.991 5.210 336 HD3 LYS 40 1HD LYS 40 0.934 4.197 5.581 337 HE2 LYS 40 2HE LYS 40 1.684 3.649 7.810 338 HE3 LYS 40 1HE LYS 40 3.313 4.233 7.462 339 HZ1 LYS 40 1HZ LYS 40 1.603 6.293 6.824 340 HZ2 LYS 40 2HZ LYS 40 2.624 6.199 8.179 341 HZ3 LYS 40 3HZ LYS 40 1.011 5.671 8.287 342 H GLU 41 H GLU 41 4.734 0.906 5.074 343 HA GLU 41 HA GLU 41 6.781 2.729 4.572 344 HB2 GLU 41 2HB GLU 41 6.584 1.418 6.649 345 HB3 GLU 41 1HB GLU 41 7.029 -0.037 5.765 346 HG2 GLU 41 2HG GLU 41 9.032 0.761 6.830 347 HG3 GLU 41 1HG GLU 41 9.192 1.153 5.120 348 H TRP 42 H TRP 42 6.414 -0.645 3.502 349 HA TRP 42 HA TRP 42 8.844 -0.741 2.043 350 HB2 TRP 42 2HB TRP 42 6.249 -2.242 1.630 351 HB3 TRP 42 1HB TRP 42 7.788 -2.667 0.890 352 HD1 TRP 42 HD TRP 42 8.868 -1.588 4.130 353 HE1 TRP 42 1HE TRP 42 9.031 -3.537 5.798 354 HE3 TRP 42 3HE TRP 42 6.113 -5.083 1.656 355 HZ2 TRP 42 2HZ TRP 42 8.102 -6.229 6.062 356 HZ3 TRP 42 3HZ TRP 42 5.741 -7.324 2.637 357 HH2 TRP 42 HH TRP 42 6.737 -7.904 4.838 358 H ILE 43 H ILE 43 5.546 0.148 1.138 359 HA ILE 43 HA ILE 43 6.075 0.481 -1.621 360 HB ILE 43 HB ILE 43 3.979 1.712 0.168 361 HG12 ILE 43 2HG1 ILE 43 3.763 -0.479 -1.922 362 HG13 ILE 43 1HG1 ILE 43 4.069 -0.815 -0.215 363 HG21 ILE 43 1HG2 ILE 43 4.171 3.174 -1.720 364 HG22 ILE 43 2HG2 ILE 43 2.819 2.100 -2.078 365 HG23 ILE 43 3HG2 ILE 43 4.390 1.823 -2.832 366 HD11 ILE 43 1HD1 ILE 43 1.625 -0.888 -0.928 367 HD12 ILE 43 2HD1 ILE 43 1.736 0.860 -1.160 368 HD13 ILE 43 3HD1 ILE 43 1.990 0.165 0.440 369 H GLU 44 H GLU 44 6.159 2.905 1.016 370 HA GLU 44 HA GLU 44 6.716 5.004 -0.778 371 HB2 GLU 44 2HB GLU 44 7.082 6.425 1.133 372 HB3 GLU 44 1HB GLU 44 5.659 5.413 1.418 373 HG2 GLU 44 2HG GLU 44 6.565 4.609 3.319 374 HG3 GLU 44 1HG GLU 44 7.970 4.021 2.440 375 H ASN 45 H ASN 45 8.825 2.747 1.014 376 HA ASN 45 HA ASN 45 11.257 4.101 0.472 377 HB2 ASN 45 2HB ASN 45 11.069 2.218 2.058 378 HB3 ASN 45 1HB ASN 45 10.707 1.135 0.716 379 HD21 ASN 45 1HD2 ASN 45 12.675 -0.123 1.095 380 HD22 ASN 45 2HD2 ASN 45 14.203 0.505 0.707 381 H ALA 46 H ALA 46 9.388 1.663 -1.347 382 HA ALA 46 HA ALA 46 11.238 1.338 -3.457 383 HB1 ALA 46 1HB ALA 46 8.243 0.960 -3.347 384 HB2 ALA 46 2HB ALA 46 9.484 -0.280 -3.172 385 HB3 ALA 46 3HB ALA 46 9.235 0.505 -4.733 386 H LEU 47 H LEU 47 8.467 3.505 -3.033 387 HA LEU 47 HA LEU 47 8.431 4.705 -5.555 388 HB2 LEU 47 2HB LEU 47 6.846 4.874 -3.441 389 HB3 LEU 47 1HB LEU 47 7.832 6.277 -3.070 390 HG LEU 47 HG LEU 47 5.977 7.100 -4.319 391 HD11 LEU 47 1HD1 LEU 47 8.309 7.854 -5.057 392 HD12 LEU 47 2HD1 LEU 47 6.992 8.140 -6.185 393 HD13 LEU 47 3HD1 LEU 47 8.092 6.791 -6.447 394 HD21 LEU 47 1HD2 LEU 47 5.021 6.111 -6.203 395 HD22 LEU 47 2HD2 LEU 47 5.520 4.698 -5.276 396 HD23 LEU 47 3HD2 LEU 47 6.498 5.254 -6.633 397 H GLY 48 H GLY 48 10.219 5.639 -2.582 398 HA2 GLY 48 2HA GLY 48 11.355 7.996 -3.630 399 HA3 GLY 48 1HA GLY 48 11.994 7.064 -2.278 400 H TRP 49 H TRP 49 12.486 4.620 -3.608 401 HA TRP 49 HA TRP 49 14.006 4.982 -5.995 402 HB2 TRP 49 2HB TRP 49 16.254 4.783 -5.107 403 HB3 TRP 49 1HB TRP 49 15.471 6.197 -4.400 404 HD1 TRP 49 HD TRP 49 14.478 5.900 -1.879 405 HE1 TRP 49 1HE TRP 49 15.321 4.437 0.069 406 HE3 TRP 49 3HE TRP 49 17.421 2.607 -4.450 407 HZ2 TRP 49 2HZ TRP 49 17.016 2.170 0.483 408 HZ3 TRP 49 3HZ TRP 49 18.637 0.811 -3.253 409 HH2 TRP 49 HH TRP 49 18.440 0.587 -0.792 410 H ARG 50 H ARG 50 12.327 3.125 -5.937 411 HA ARG 50 HA ARG 50 11.807 0.868 -5.645 412 HB2 ARG 50 2HB ARG 50 14.538 0.926 -6.942 413 HB3 ARG 50 1HB ARG 50 13.554 -0.533 -6.820 414 HG2 ARG 50 2HG ARG 50 11.724 0.591 -8.035 415 HG3 ARG 50 1HG ARG 50 12.704 2.052 -8.158 416 HD2 ARG 50 2HD ARG 50 14.408 0.800 -9.429 417 HD3 ARG 50 1HD ARG 50 13.422 -0.654 -9.313 418 HE ARG 50 HE ARG 50 12.895 1.675 -10.999 419 HH11 ARG 50 1HH1 ARG 50 11.275 1.340 -12.550 420 HH12 ARG 50 2HH1 ARG 50 10.271 -0.070 -12.458 421 HH21 ARG 50 1HH2 ARG 50 11.794 -1.296 -9.597 422 HH22 ARG 50 2HH2 ARG 50 10.567 -1.561 -10.790 Start of MODEL 20 1 H FME 1 H FME 1 -12.044 -4.867 1.313 2 HCN FME 1 HF FME 1 -11.841 -4.418 3.597 3 HA FME 1 HA FME 1 -9.433 -3.918 0.845 4 HB2 FME 1 1HB FME 1 -11.709 -3.868 -1.135 5 HB3 FME 1 2HB FME 1 -10.814 -5.334 -0.721 6 HG2 FME 1 1HG FME 1 -8.706 -4.185 -1.374 7 HG3 FME 1 2HG FME 1 -9.652 -2.778 -1.863 8 HE1 FME 1 1HE FME 1 -7.609 -4.983 -3.450 9 HE2 FME 1 2HE FME 1 -8.051 -3.399 -4.081 10 HE3 FME 1 3HE FME 1 -8.313 -4.838 -5.066 11 H ALA 2 H ALA 2 -12.594 -2.298 0.727 12 HA ALA 2 HA ALA 2 -11.694 0.168 -0.309 13 HB1 ALA 2 1HB ALA 2 -13.777 1.065 0.759 14 HB2 ALA 2 2HB ALA 2 -14.017 -0.519 1.497 15 HB3 ALA 2 3HB ALA 2 -14.042 -0.344 -0.260 16 H GLY 3 H GLY 3 -11.906 -1.090 2.980 17 HA2 GLY 3 2HA GLY 3 -11.277 1.306 4.341 18 HA3 GLY 3 1HA GLY 3 -11.039 -0.325 4.969 19 H LEU 4 H LEU 4 -9.266 -1.329 3.068 20 HA LEU 4 HA LEU 4 -6.779 -0.455 4.046 21 HB2 LEU 4 2HB LEU 4 -7.098 -2.684 3.104 22 HB3 LEU 4 1HB LEU 4 -7.465 -2.004 1.527 23 HG LEU 4 HG LEU 4 -5.105 -2.908 1.826 24 HD11 LEU 4 1HD1 LEU 4 -4.351 -1.478 0.233 25 HD12 LEU 4 2HD1 LEU 4 -4.669 -0.040 1.203 26 HD13 LEU 4 3HD1 LEU 4 -5.970 -0.804 0.311 27 HD21 LEU 4 1HD2 LEU 4 -4.987 -1.864 4.194 28 HD22 LEU 4 2HD2 LEU 4 -4.560 -0.371 3.364 29 HD23 LEU 4 3HD2 LEU 4 -3.535 -1.798 3.187 30 H LEU 5 H LEU 5 -8.461 0.260 0.995 31 HA LEU 5 HA LEU 5 -6.437 1.879 -0.142 32 HB2 LEU 5 2HB LEU 5 -9.442 1.862 -0.501 33 HB3 LEU 5 1HB LEU 5 -8.352 2.827 -1.493 34 HG LEU 5 HG LEU 5 -8.179 -0.182 -1.195 35 HD11 LEU 5 1HD1 LEU 5 -9.211 -0.314 -3.392 36 HD12 LEU 5 2HD1 LEU 5 -9.261 1.447 -3.519 37 HD13 LEU 5 3HD1 LEU 5 -10.269 0.620 -2.331 38 HD21 LEU 5 1HD2 LEU 5 -6.644 1.900 -2.723 39 HD22 LEU 5 2HD2 LEU 5 -6.862 0.307 -3.449 40 HD23 LEU 5 3HD2 LEU 5 -6.051 0.458 -1.893 41 H ARG 6 H ARG 6 -9.258 2.694 1.893 42 HA ARG 6 HA ARG 6 -8.974 5.488 1.867 43 HB2 ARG 6 2HB ARG 6 -10.941 4.239 2.794 44 HB3 ARG 6 1HB ARG 6 -9.945 3.800 4.189 45 HG2 ARG 6 2HG ARG 6 -9.546 6.493 4.185 46 HG3 ARG 6 1HG ARG 6 -11.135 6.442 3.437 47 HD2 ARG 6 2HD ARG 6 -11.945 5.054 5.342 48 HD3 ARG 6 1HD ARG 6 -10.355 5.211 6.092 49 HE ARG 6 HE ARG 6 -10.868 7.420 6.650 50 HH11 ARG 6 1HH1 ARG 6 -12.263 9.215 6.753 51 HH12 ARG 6 2HH1 ARG 6 -13.754 9.196 5.870 52 HH21 ARG 6 1HH2 ARG 6 -13.201 6.083 4.470 53 HH22 ARG 6 2HH2 ARG 6 -14.273 7.438 4.573 54 H PHE 7 H PHE 7 -7.612 3.042 4.034 55 HA PHE 7 HA PHE 7 -6.348 4.774 5.832 56 HB2 PHE 7 2HB PHE 7 -6.680 2.317 6.127 57 HB3 PHE 7 1HB PHE 7 -5.444 2.031 4.909 58 HD1 PHE 7 1HD PHE 7 -3.126 2.170 5.431 59 HD2 PHE 7 2HD PHE 7 -6.068 3.542 8.242 60 HE1 PHE 7 1HE PHE 7 -1.362 2.386 7.157 61 HE2 PHE 7 2HE PHE 7 -4.310 3.754 9.975 62 HZ PHE 7 HZ PHE 7 -1.958 3.180 9.440 63 H LEU 8 H LEU 8 -5.148 3.217 2.850 64 HA LEU 8 HA LEU 8 -2.522 4.223 3.078 65 HB2 LEU 8 2HB LEU 8 -4.127 3.188 0.746 66 HB3 LEU 8 1HB LEU 8 -2.507 3.845 0.510 67 HG LEU 8 HG LEU 8 -3.219 1.575 2.408 68 HD11 LEU 8 1HD1 LEU 8 -2.435 0.069 0.781 69 HD12 LEU 8 2HD1 LEU 8 -1.571 1.331 -0.105 70 HD13 LEU 8 3HD1 LEU 8 -3.335 1.246 -0.186 71 HD21 LEU 8 1HD2 LEU 8 -0.779 3.206 2.036 72 HD22 LEU 8 2HD2 LEU 8 -0.468 1.480 1.914 73 HD23 LEU 8 3HD2 LEU 8 -1.226 2.143 3.357 74 H LEU 9 H LEU 9 -5.399 5.501 1.499 75 HA LEU 9 HA LEU 9 -4.188 7.704 0.253 76 HB2 LEU 9 2HB LEU 9 -6.457 6.891 -0.229 77 HB3 LEU 9 1HB LEU 9 -6.993 7.463 1.346 78 HG LEU 9 HG LEU 9 -6.318 9.771 0.707 79 HD11 LEU 9 1HD1 LEU 9 -6.050 9.950 -1.941 80 HD12 LEU 9 2HD1 LEU 9 -5.433 8.309 -1.755 81 HD13 LEU 9 3HD1 LEU 9 -4.651 9.641 -0.908 82 HD21 LEU 9 1HD2 LEU 9 -8.270 8.259 -1.034 83 HD22 LEU 9 2HD2 LEU 9 -8.087 10.006 -1.149 84 HD23 LEU 9 3HD2 LEU 9 -8.620 9.275 0.368 85 H SER 10 H SER 10 -5.702 7.417 3.470 86 HA SER 10 HA SER 10 -5.458 10.132 4.181 87 HB2 SER 10 2HB SER 10 -5.716 9.327 6.499 88 HB3 SER 10 1HB SER 10 -6.883 8.578 5.408 89 HG SER 10 HG SER 10 -4.539 7.211 5.502 90 H LYS 11 H LYS 11 -3.242 7.385 4.482 91 HA LYS 11 HA LYS 11 -1.322 8.879 6.007 92 HB2 LYS 11 2HB LYS 11 -1.069 6.331 4.402 93 HB3 LYS 11 1HB LYS 11 0.215 6.991 5.414 94 HG2 LYS 11 2HG LYS 11 -2.555 6.320 6.457 95 HG3 LYS 11 1HG LYS 11 -1.187 5.209 6.541 96 HD2 LYS 11 2HD LYS 11 0.036 7.219 7.701 97 HD3 LYS 11 1HD LYS 11 -1.587 7.822 7.982 98 HE2 LYS 11 2HE LYS 11 -0.655 5.067 8.796 99 HE3 LYS 11 1HE LYS 11 -0.739 6.452 9.877 100 HZ1 LYS 11 1HZ LYS 11 -2.735 4.885 9.782 101 HZ2 LYS 11 2HZ LYS 11 -3.080 5.624 8.290 102 HZ3 LYS 11 3HZ LYS 11 -3.029 6.555 9.707 103 H GLY 12 H GLY 12 -1.615 8.109 2.555 104 HA2 GLY 12 2HA GLY 12 -0.199 10.489 1.797 105 HA3 GLY 12 1HA GLY 12 0.760 9.031 1.552 106 H ARG 13 H ARG 13 -0.053 10.701 -0.566 107 HA ARG 13 HA ARG 13 -2.328 9.446 -1.872 108 HB2 ARG 13 2HB ARG 13 -0.402 11.610 -2.715 109 HB3 ARG 13 1HB ARG 13 -1.734 11.037 -3.723 110 HG2 ARG 13 2HG ARG 13 -3.337 11.639 -1.946 111 HG3 ARG 13 1HG ARG 13 -2.000 12.223 -0.947 112 HD2 ARG 13 2HD ARG 13 -2.662 13.290 -3.705 113 HD3 ARG 13 1HD ARG 13 -3.170 14.051 -2.197 114 HE ARG 13 HE ARG 13 -0.477 14.025 -3.306 115 HH11 ARG 13 1HH1 ARG 13 1.027 15.309 -2.172 116 HH12 ARG 13 2HH1 ARG 13 0.628 15.909 -0.598 117 HH21 ARG 13 1HH2 ARG 13 -2.514 14.451 -0.541 118 HH22 ARG 13 2HH2 ARG 13 -1.378 15.432 0.320 119 H ALA 14 H ALA 14 1.170 9.408 -1.982 120 HA ALA 14 HA ALA 14 1.499 8.141 -4.478 121 HB1 ALA 14 1HB ALA 14 3.224 9.254 -2.864 122 HB2 ALA 14 2HB ALA 14 3.732 7.920 -3.894 123 HB3 ALA 14 3HB ALA 14 3.366 7.640 -2.188 124 H LEU 15 H LEU 15 1.091 6.806 -1.207 125 HA LEU 15 HA LEU 15 1.493 4.097 -1.885 126 HB2 LEU 15 2HB LEU 15 -0.363 5.116 0.263 127 HB3 LEU 15 1HB LEU 15 0.522 3.598 0.222 128 HG LEU 15 HG LEU 15 1.957 6.270 0.215 129 HD11 LEU 15 1HD1 LEU 15 0.907 4.677 2.546 130 HD12 LEU 15 2HD1 LEU 15 0.727 6.398 2.222 131 HD13 LEU 15 3HD1 LEU 15 2.297 5.754 2.698 132 HD21 LEU 15 1HD2 LEU 15 3.705 4.755 1.320 133 HD22 LEU 15 2HD2 LEU 15 3.411 4.492 -0.393 134 HD23 LEU 15 3HD2 LEU 15 2.714 3.401 0.803 135 H TYR 16 H TYR 16 -1.387 6.148 -1.846 136 HA TYR 16 HA TYR 16 -3.304 4.157 -2.390 137 HB2 TYR 16 2HB TYR 16 -3.978 6.360 -1.630 138 HB3 TYR 16 1HB TYR 16 -3.270 7.113 -3.057 139 HD1 TYR 16 1HD TYR 16 -4.458 7.228 -5.104 140 HD2 TYR 16 2HD TYR 16 -5.915 4.747 -1.915 141 HE1 TYR 16 1HE TYR 16 -6.568 6.868 -6.355 142 HE2 TYR 16 2HE TYR 16 -8.028 4.382 -3.164 143 HH TYR 16 HH TYR 16 -8.744 6.152 -6.122 144 H ASN 17 H ASN 17 -1.445 6.293 -4.538 145 HA ASN 17 HA ASN 17 -2.589 5.425 -6.960 146 HB2 ASN 17 2HB ASN 17 -1.211 7.444 -6.778 147 HB3 ASN 17 1HB ASN 17 0.207 6.461 -6.414 148 HD21 ASN 17 1HD2 ASN 17 1.414 6.898 -8.316 149 HD22 ASN 17 2HD2 ASN 17 0.889 6.466 -9.870 150 H TRP 18 H TRP 18 0.217 4.275 -5.136 151 HA TRP 18 HA TRP 18 1.165 2.340 -6.926 152 HB2 TRP 18 2HB TRP 18 2.584 2.942 -5.134 153 HB3 TRP 18 1HB TRP 18 1.317 2.681 -3.936 154 HD1 TRP 18 HD TRP 18 0.961 0.281 -3.015 155 HE1 TRP 18 1HE TRP 18 2.228 -1.946 -3.308 156 HE3 TRP 18 3HE TRP 18 4.029 1.532 -6.896 157 HZ2 TRP 18 2HZ TRP 18 4.286 -3.050 -4.982 158 HZ3 TRP 18 3HZ TRP 18 5.637 -0.114 -7.816 159 HH2 TRP 18 HH TRP 18 5.771 -2.403 -6.867 160 H ALA 19 H ALA 19 -1.168 2.051 -4.239 161 HA ALA 19 HA ALA 19 -1.642 -0.705 -4.465 162 HB1 ALA 19 1HB ALA 19 -3.906 -0.043 -3.384 163 HB2 ALA 19 2HB ALA 19 -3.228 1.585 -3.342 164 HB3 ALA 19 3HB ALA 19 -2.422 0.273 -2.486 165 H LYS 20 H LYS 20 -3.238 2.067 -5.989 166 HA LYS 20 HA LYS 20 -5.299 0.612 -7.273 167 HB2 LYS 20 2HB LYS 20 -5.295 3.085 -7.000 168 HB3 LYS 20 1HB LYS 20 -3.994 3.192 -8.187 169 HG2 LYS 20 2HG LYS 20 -5.418 2.147 -9.882 170 HG3 LYS 20 1HG LYS 20 -6.717 1.959 -8.705 171 HD2 LYS 20 2HD LYS 20 -6.806 4.414 -8.423 172 HD3 LYS 20 1HD LYS 20 -5.526 4.590 -9.623 173 HE2 LYS 20 2HE LYS 20 -7.703 4.942 -10.688 174 HE3 LYS 20 1HE LYS 20 -6.963 3.468 -11.304 175 HZ1 LYS 20 1HZ LYS 20 -8.894 3.475 -9.055 176 HZ2 LYS 20 2HZ LYS 20 -8.352 2.144 -9.961 177 HZ3 LYS 20 3HZ LYS 20 -9.371 3.300 -10.673 178 H SER 21 H SER 21 -2.079 1.635 -8.364 179 HA SER 21 HA SER 21 -2.245 0.680 -11.006 180 HB2 SER 21 2HB SER 21 0.226 0.808 -10.976 181 HB3 SER 21 1HB SER 21 -0.526 2.255 -10.303 182 HG SER 21 HG SER 21 -0.271 0.673 -8.282 183 H HIS 22 H HIS 22 -1.101 -0.938 -8.031 184 HA HIS 22 HA HIS 22 -1.154 -3.508 -9.512 185 HB2 HIS 22 2HB HIS 22 0.848 -2.525 -7.458 186 HB3 HIS 22 1HB HIS 22 0.693 -4.218 -7.935 187 HD1 HIS 22 1HD HIS 22 1.415 -0.814 -9.461 188 HD2 HIS 22 2HD HIS 22 1.933 -4.861 -10.310 189 HE1 HIS 22 1HE HIS 22 2.775 -0.932 -11.596 190 HE2 HIS 22 2HE HIS 22 3.086 -3.393 -12.135 191 H VAL 23 H VAL 23 -3.282 -3.835 -8.772 192 HA VAL 23 HA VAL 23 -4.033 -3.770 -6.030 193 HB VAL 23 HB VAL 23 -6.016 -5.030 -6.782 194 HG11 VAL 23 1HG1 VAL 23 -6.873 -3.338 -8.273 195 HG12 VAL 23 2HG1 VAL 23 -5.256 -2.935 -8.843 196 HG13 VAL 23 3HG1 VAL 23 -5.736 -2.531 -7.192 197 HG21 VAL 23 1HG2 VAL 23 -4.805 -6.513 -8.384 198 HG22 VAL 23 2HG2 VAL 23 -4.568 -5.129 -9.452 199 HG23 VAL 23 3HG2 VAL 23 -6.193 -5.723 -9.133 200 H GLY 24 H GLY 24 -2.371 -5.988 -8.035 201 HA2 GLY 24 2HA GLY 24 -2.811 -8.401 -6.650 202 HA3 GLY 24 1HA GLY 24 -1.408 -8.034 -7.651 203 H LYS 25 H LYS 25 -0.434 -5.788 -6.217 204 HA LYS 25 HA LYS 25 1.131 -7.064 -4.235 205 HB2 LYS 25 2HB LYS 25 0.630 -4.118 -4.739 206 HB3 LYS 25 1HB LYS 25 1.845 -4.738 -3.628 207 HG2 LYS 25 2HG LYS 25 1.787 -5.711 -6.469 208 HG3 LYS 25 1HG LYS 25 2.529 -4.164 -6.095 209 HD2 LYS 25 2HD LYS 25 4.018 -5.280 -4.445 210 HD3 LYS 25 1HD LYS 25 3.298 -6.835 -4.873 211 HE2 LYS 25 2HE LYS 25 5.333 -6.620 -6.146 212 HE3 LYS 25 1HE LYS 25 3.979 -6.413 -7.263 213 HZ1 LYS 25 1HZ LYS 25 5.502 -4.696 -7.715 214 HZ2 LYS 25 2HZ LYS 25 5.698 -4.310 -6.073 215 HZ3 LYS 25 3HZ LYS 25 4.234 -3.967 -6.862 216 H VAL 26 H VAL 26 -1.750 -5.041 -4.064 217 HA VAL 26 HA VAL 26 -1.920 -4.757 -1.267 218 HB VAL 26 HB VAL 26 -4.040 -4.767 -3.409 219 HG11 VAL 26 1HG1 VAL 26 -5.388 -3.597 -1.564 220 HG12 VAL 26 2HG1 VAL 26 -4.192 -4.232 -0.435 221 HG13 VAL 26 3HG1 VAL 26 -5.173 -5.339 -1.393 222 HG21 VAL 26 1HG2 VAL 26 -2.264 -2.970 -3.398 223 HG22 VAL 26 2HG2 VAL 26 -2.821 -2.506 -1.790 224 HG23 VAL 26 3HG2 VAL 26 -3.903 -2.355 -3.177 225 H TRP 27 H TRP 27 -3.294 -7.140 -3.484 226 HA TRP 27 HA TRP 27 -4.663 -8.682 -1.549 227 HB2 TRP 27 2HB TRP 27 -3.598 -9.300 -4.302 228 HB3 TRP 27 1HB TRP 27 -4.373 -10.539 -3.317 229 HD1 TRP 27 HD TRP 27 -5.196 -8.146 -5.872 230 HE1 TRP 27 1HE TRP 27 -7.702 -7.549 -5.875 231 HE3 TRP 27 3HE TRP 27 -6.552 -9.968 -1.289 232 HZ2 TRP 27 2HZ TRP 27 -9.984 -7.816 -4.169 233 HZ3 TRP 27 3HZ TRP 27 -8.899 -9.786 -0.509 234 HH2 TRP 27 HH TRP 27 -10.612 -8.712 -1.943 235 H GLU 28 H GLU 28 -1.374 -8.969 -2.893 236 HA GLU 28 HA GLU 28 -0.615 -11.345 -1.655 237 HB2 GLU 28 2HB GLU 28 0.619 -9.889 -3.438 238 HB3 GLU 28 1HB GLU 28 1.338 -9.093 -2.036 239 HG2 GLU 28 2HG GLU 28 1.382 -12.090 -2.504 240 HG3 GLU 28 1HG GLU 28 2.719 -11.000 -2.889 241 H TRP 29 H TRP 29 -0.294 -7.951 -0.446 242 HA TRP 29 HA TRP 29 1.030 -8.813 1.941 243 HB2 TRP 29 2HB TRP 29 -0.630 -6.315 1.851 244 HB3 TRP 29 1HB TRP 29 0.809 -6.642 2.796 245 HD1 TRP 29 HD TRP 29 -0.132 -4.589 0.105 246 HE1 TRP 29 1HE TRP 29 1.779 -4.096 -1.548 247 HE3 TRP 29 3HE TRP 29 3.168 -8.220 1.498 248 HZ2 TRP 29 2HZ TRP 29 4.390 -5.104 -2.168 249 HZ3 TRP 29 3HZ TRP 29 5.349 -8.407 0.386 250 HH2 TRP 29 HH TRP 29 5.976 -6.871 -1.445 251 H LEU 30 H LEU 30 -2.386 -8.280 1.116 252 HA LEU 30 HA LEU 30 -3.347 -8.542 3.762 253 HB2 LEU 30 2HB LEU 30 -4.672 -9.106 1.104 254 HB3 LEU 30 1HB LEU 30 -5.522 -9.172 2.653 255 HG LEU 30 HG LEU 30 -3.986 -6.755 1.672 256 HD11 LEU 30 1HD1 LEU 30 -6.434 -5.873 1.469 257 HD12 LEU 30 2HD1 LEU 30 -6.858 -7.580 1.375 258 HD13 LEU 30 3HD1 LEU 30 -5.775 -6.879 0.174 259 HD21 LEU 30 1HD2 LEU 30 -5.597 -7.415 4.107 260 HD22 LEU 30 2HD2 LEU 30 -5.711 -5.777 3.474 261 HD23 LEU 30 3HD2 LEU 30 -4.150 -6.422 3.961 262 H LYS 31 H LYS 31 -2.774 -10.956 1.231 263 HA LYS 31 HA LYS 31 -3.788 -13.185 2.639 264 HB2 LYS 31 2HB LYS 31 -3.212 -13.183 0.204 265 HB3 LYS 31 1HB LYS 31 -1.503 -13.134 0.647 266 HG2 LYS 31 2HG LYS 31 -1.693 -15.264 1.814 267 HG3 LYS 31 1HG LYS 31 -3.434 -15.304 1.530 268 HD2 LYS 31 2HD LYS 31 -2.999 -15.347 -0.929 269 HD3 LYS 31 1HD LYS 31 -1.267 -15.391 -0.596 270 HE2 LYS 31 2HE LYS 31 -3.279 -17.475 0.312 271 HE3 LYS 31 1HE LYS 31 -2.122 -17.665 -1.010 272 HZ1 LYS 31 1HZ LYS 31 -0.406 -17.030 0.769 273 HZ2 LYS 31 2HZ LYS 31 -1.030 -18.609 0.772 274 HZ3 LYS 31 3HZ LYS 31 -1.607 -17.462 1.884 275 H SER 32 H SER 32 -0.539 -11.735 2.494 276 HA SER 32 HA SER 32 0.757 -13.670 4.111 277 HB2 SER 32 2HB SER 32 2.515 -11.952 4.375 278 HB3 SER 32 1HB SER 32 1.999 -12.103 2.698 279 HG SER 32 HG SER 32 2.150 -9.909 3.533 280 H GLY 33 H GLY 33 -1.173 -10.840 4.856 281 HA2 GLY 33 2HA GLY 33 -2.299 -10.436 6.877 282 HA3 GLY 33 1HA GLY 33 -1.306 -11.667 7.647 283 H ALA 34 H ALA 34 0.174 -9.168 5.715 284 HA ALA 34 HA ALA 34 1.799 -8.324 7.928 285 HB1 ALA 34 1HB ALA 34 1.555 -7.586 5.041 286 HB2 ALA 34 2HB ALA 34 2.960 -8.167 5.932 287 HB3 ALA 34 3HB ALA 34 2.427 -6.501 6.121 288 H THR 35 H THR 35 2.055 -5.887 8.308 289 HA THR 35 HA THR 35 -0.571 -4.860 9.062 290 HB THR 35 HB THR 35 0.596 -3.424 10.535 291 HG1 THR 35 1HG THR 35 2.459 -3.535 8.562 292 HG21 THR 35 1HG2 THR 35 2.078 -4.892 11.744 293 HG22 THR 35 2HG2 THR 35 2.397 -5.848 10.298 294 HG23 THR 35 3HG2 THR 35 0.799 -5.887 11.044 295 H TYR 36 H TYR 36 -1.301 -2.759 8.508 296 HA TYR 36 HA TYR 36 -0.947 -1.978 5.829 297 HB2 TYR 36 2HB TYR 36 -1.974 -0.282 8.100 298 HB3 TYR 36 1HB TYR 36 -2.340 -0.095 6.384 299 HD1 TYR 36 1HD TYR 36 -3.096 -2.570 5.305 300 HD2 TYR 36 2HD TYR 36 -3.731 -1.196 9.328 301 HE1 TYR 36 1HE TYR 36 -4.997 -4.147 5.548 302 HE2 TYR 36 2HE TYR 36 -5.633 -2.775 9.568 303 HH TYR 36 HH TYR 36 -6.459 -5.064 6.965 304 H GLU 37 H GLU 37 0.456 -0.783 8.851 305 HA GLU 37 HA GLU 37 1.788 1.447 7.732 306 HB2 GLU 37 2HB GLU 37 1.437 1.192 10.162 307 HB3 GLU 37 1HB GLU 37 2.524 -0.195 10.175 308 HG2 GLU 37 2HG GLU 37 4.381 1.217 9.432 309 HG3 GLU 37 1HG GLU 37 3.310 2.611 9.327 310 H GLN 38 H GLN 38 3.021 -1.790 8.537 311 HA GLN 38 HA GLN 38 5.612 -1.412 7.608 312 HB2 GLN 38 2HB GLN 38 4.771 -3.336 8.903 313 HB3 GLN 38 1HB GLN 38 3.975 -3.940 7.458 314 HG2 GLN 38 2HG GLN 38 6.157 -3.981 6.302 315 HG3 GLN 38 1HG GLN 38 6.942 -3.460 7.781 316 HE21 GLN 38 1HE2 GLN 38 8.103 -5.335 8.340 317 HE22 GLN 38 2HE2 GLN 38 7.375 -6.844 8.624 318 H ILE 39 H ILE 39 2.708 -2.412 5.834 319 HA ILE 39 HA ILE 39 4.012 -3.007 3.409 320 HB ILE 39 HB ILE 39 1.168 -2.217 4.034 321 HG12 ILE 39 2HG1 ILE 39 2.229 -4.949 3.350 322 HG13 ILE 39 1HG1 ILE 39 2.327 -4.359 5.007 323 HG21 ILE 39 1HG2 ILE 39 2.422 -3.433 1.545 324 HG22 ILE 39 2HG2 ILE 39 1.661 -1.834 1.659 325 HG23 ILE 39 3HG2 ILE 39 0.684 -3.289 1.839 326 HD11 ILE 39 1HD1 ILE 39 -0.124 -3.881 4.912 327 HD12 ILE 39 2HD1 ILE 39 0.247 -5.600 4.749 328 HD13 ILE 39 3HD1 ILE 39 -0.182 -4.647 3.333 329 H LYS 40 H LYS 40 2.436 0.110 4.540 330 HA LYS 40 HA LYS 40 3.079 1.331 2.028 331 HB2 LYS 40 2HB LYS 40 2.887 3.563 3.141 332 HB3 LYS 40 1HB LYS 40 1.410 2.540 3.221 333 HG2 LYS 40 2HG LYS 40 1.844 1.929 5.497 334 HG3 LYS 40 1HG LYS 40 3.481 2.611 5.429 335 HD2 LYS 40 2HD LYS 40 2.538 4.858 5.090 336 HD3 LYS 40 1HD LYS 40 0.909 4.198 5.136 337 HE2 LYS 40 2HE LYS 40 2.808 3.758 7.428 338 HE3 LYS 40 1HE LYS 40 1.866 5.245 7.315 339 HZ1 LYS 40 1HZ LYS 40 0.854 3.320 8.610 340 HZ2 LYS 40 2HZ LYS 40 0.592 2.585 7.097 341 HZ3 LYS 40 3HZ LYS 40 -0.131 4.073 7.451 342 H GLU 41 H GLU 41 4.766 0.900 5.075 343 HA GLU 41 HA GLU 41 6.847 2.719 4.735 344 HB2 GLU 41 2HB GLU 41 6.504 1.419 6.804 345 HB3 GLU 41 1HB GLU 41 7.030 -0.035 5.955 346 HG2 GLU 41 2HG GLU 41 9.216 0.991 5.523 347 HG3 GLU 41 1HG GLU 41 8.693 2.468 6.312 348 H TRP 42 H TRP 42 6.616 -0.697 3.683 349 HA TRP 42 HA TRP 42 9.107 -0.814 2.364 350 HB2 TRP 42 2HB TRP 42 6.518 -2.255 1.702 351 HB3 TRP 42 1HB TRP 42 8.074 -2.632 0.983 352 HD1 TRP 42 HD TRP 42 9.775 -2.427 3.776 353 HE1 TRP 42 1HE TRP 42 9.540 -4.370 5.440 354 HE3 TRP 42 3HE TRP 42 5.347 -4.404 2.195 355 HZ2 TRP 42 2HZ TRP 42 7.711 -6.487 6.034 356 HZ3 TRP 42 3HZ TRP 42 4.365 -6.374 3.329 357 HH2 TRP 42 HH TRP 42 5.547 -7.421 5.249 358 H ILE 43 H ILE 43 5.893 0.102 1.232 359 HA ILE 43 HA ILE 43 6.558 0.437 -1.484 360 HB ILE 43 HB ILE 43 4.393 1.687 0.203 361 HG12 ILE 43 2HG1 ILE 43 4.273 -0.498 -1.888 362 HG13 ILE 43 1HG1 ILE 43 4.449 -0.822 -0.166 363 HG21 ILE 43 1HG2 ILE 43 4.811 1.761 -2.800 364 HG22 ILE 43 2HG2 ILE 43 4.741 3.151 -1.714 365 HG23 ILE 43 3HG2 ILE 43 3.297 2.184 -2.001 366 HD11 ILE 43 1HD1 ILE 43 2.292 -0.059 0.324 367 HD12 ILE 43 2HD1 ILE 43 2.048 -0.806 -1.258 368 HD13 ILE 43 3HD1 ILE 43 2.203 0.948 -1.126 369 H GLU 44 H GLU 44 6.466 2.868 1.118 370 HA GLU 44 HA GLU 44 7.165 4.945 -0.634 371 HB2 GLU 44 2HB GLU 44 7.313 6.366 1.286 372 HB3 GLU 44 1HB GLU 44 5.913 5.303 1.463 373 HG2 GLU 44 2HG GLU 44 6.694 4.554 3.434 374 HG3 GLU 44 1HG GLU 44 8.174 3.999 2.677 375 H ASN 45 H ASN 45 9.108 2.736 1.362 376 HA ASN 45 HA ASN 45 11.562 4.099 1.054 377 HB2 ASN 45 2HB ASN 45 11.275 2.276 2.678 378 HB3 ASN 45 1HB ASN 45 11.027 1.131 1.370 379 HD21 ASN 45 1HD2 ASN 45 13.490 3.452 2.607 380 HD22 ASN 45 2HD2 ASN 45 14.818 2.562 2.040 381 H ALA 46 H ALA 46 9.951 1.600 -0.937 382 HA ALA 46 HA ALA 46 12.064 1.258 -2.794 383 HB1 ALA 46 1HB ALA 46 9.078 0.870 -3.174 384 HB2 ALA 46 2HB ALA 46 10.210 -0.349 -2.585 385 HB3 ALA 46 3HB ALA 46 10.340 0.250 -4.240 386 H LEU 47 H LEU 47 9.239 3.392 -2.698 387 HA LEU 47 HA LEU 47 9.529 4.534 -5.250 388 HB2 LEU 47 2HB LEU 47 8.002 4.964 -2.801 389 HB3 LEU 47 1HB LEU 47 8.468 6.503 -3.496 390 HG LEU 47 HG LEU 47 7.541 5.669 -5.712 391 HD11 LEU 47 1HD1 LEU 47 7.617 3.274 -5.269 392 HD12 LEU 47 2HD1 LEU 47 5.934 3.752 -5.508 393 HD13 LEU 47 3HD1 LEU 47 6.547 3.470 -3.879 394 HD21 LEU 47 1HD2 LEU 47 5.555 5.692 -3.431 395 HD22 LEU 47 2HD2 LEU 47 5.244 6.134 -5.109 396 HD23 LEU 47 3HD2 LEU 47 6.284 7.149 -4.107 397 H GLY 48 H GLY 48 10.854 5.548 -2.073 398 HA2 GLY 48 2HA GLY 48 12.151 7.876 -2.981 399 HA3 GLY 48 1HA GLY 48 12.622 6.936 -1.572 400 H TRP 49 H TRP 49 13.229 4.496 -2.773 401 HA TRP 49 HA TRP 49 15.896 4.910 -3.640 402 HB2 TRP 49 2HB TRP 49 14.116 2.477 -3.878 403 HB3 TRP 49 1HB TRP 49 15.847 2.490 -4.216 404 HD1 TRP 49 HD TRP 49 15.285 4.808 -1.454 405 HE1 TRP 49 1HE TRP 49 15.820 3.712 0.808 406 HE3 TRP 49 3HE TRP 49 15.489 -0.093 -2.875 407 HZ2 TRP 49 2HZ TRP 49 16.269 1.096 1.887 408 HZ3 TRP 49 3HZ TRP 49 15.968 -1.865 -1.211 409 HH2 TRP 49 HH TRP 49 16.359 -1.278 1.165 410 H ARG 50 H ARG 50 12.912 4.257 -5.424 411 HA ARG 50 HA ARG 50 14.137 5.338 -7.823 412 HB2 ARG 50 2HB ARG 50 13.601 3.385 -9.212 413 HB3 ARG 50 1HB ARG 50 14.768 2.963 -7.957 414 HG2 ARG 50 2HG ARG 50 12.949 2.053 -6.569 415 HG3 ARG 50 1HG ARG 50 11.778 2.486 -7.811 416 HD2 ARG 50 2HD ARG 50 12.938 1.011 -9.417 417 HD3 ARG 50 1HD ARG 50 14.093 0.567 -8.164 418 HE ARG 50 HE ARG 50 12.443 -0.748 -7.151 419 HH11 ARG 50 1HH1 ARG 50 10.512 -1.889 -7.274 420 HH12 ARG 50 2HH1 ARG 50 9.300 -1.432 -8.424 421 HH21 ARG 50 1HH2 ARG 50 11.207 1.146 -9.777 422 HH22 ARG 50 2HH2 ARG 50 9.696 0.301 -9.852
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