NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
530054 | 2ljq | 17955 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 HN LYS 1 1.806 0.000 0.856 2 HA LYS 1 HA LYS 1 1.401 0.127 -2.058 3 HB2 LYS 1 HB1 LYS 1 2.663 1.993 -0.719 4 HB3 LYS 1 HB2 LYS 1 3.994 0.843 -0.737 5 HG2 LYS 1 HG1 LYS 1 4.388 2.199 -2.583 6 HG3 LYS 1 HG2 LYS 1 3.639 0.755 -3.269 7 HD2 LYS 1 HD1 LYS 1 1.443 1.967 -3.179 8 HD3 LYS 1 HD2 LYS 1 2.338 3.421 -2.730 9 HE2 LYS 1 HE1 LYS 1 3.354 3.590 -4.803 10 HE3 LYS 1 HE2 LYS 1 3.117 1.883 -5.172 11 HZ1 LYS 1 HZ1 LYS 1 0.793 2.268 -5.511 12 HZ2 LYS 1 HZ2 LYS 1 1.656 3.378 -6.451 13 HZ3 LYS 1 HZ3 LYS 1 0.925 3.878 -5.010 14 H TYR 2 HN TYR 2 1.747 -1.738 -3.052 15 HA TYR 2 HA TYR 2 4.139 -3.261 -2.536 16 HB2 TYR 2 HB1 TYR 2 2.857 -5.401 -2.177 17 HB3 TYR 2 HB2 TYR 2 2.796 -4.265 -0.834 18 HD1 TYR 2 HD1 TYR 2 0.878 -5.777 -3.582 19 HD2 TYR 2 HD2 TYR 2 0.731 -3.209 -0.193 20 HE1 TYR 2 HE1 TYR 2 -1.580 -5.859 -3.634 21 HE2 TYR 2 HE2 TYR 2 -1.727 -3.285 -0.234 22 HH TYR 2 HH TYR 2 -3.508 -4.802 -1.081 23 H TYR 3 HN TYR 3 4.716 -4.579 -4.243 24 HA TYR 3 HA TYR 3 4.828 -5.254 -6.412 25 HB2 TYR 3 HB1 TYR 3 2.598 -6.359 -5.473 26 HB3 TYR 3 HB2 TYR 3 1.857 -5.298 -6.667 27 HD1 TYR 3 HD1 TYR 3 3.845 -5.382 -8.844 28 HD2 TYR 3 HD2 TYR 3 2.363 -8.501 -6.358 29 HE1 TYR 3 HE1 TYR 3 4.343 -7.019 -10.611 30 HE2 TYR 3 HE2 TYR 3 2.858 -10.147 -8.118 31 HH TYR 3 HH TYR 3 4.822 -9.886 -10.381 32 H GLY 4 HN GLY 4 5.249 -2.663 -6.291 33 HA2 GLY 4 HA1 GLY 4 4.504 -1.692 -8.821 34 HA3 GLY 4 HA2 GLY 4 3.465 -0.948 -7.615 35 H ASN 5 HN ASN 5 5.218 -0.614 -5.511 36 HA ASN 5 HA ASN 5 6.789 1.610 -6.498 37 HB2 ASN 5 HB1 ASN 5 5.584 2.122 -4.535 38 HB3 ASN 5 HB2 ASN 5 6.060 0.619 -3.750 39 HD21 ASN 5 HD21 ASN 5 7.147 1.249 -2.013 40 HD22 ASN 5 HD22 ASN 5 8.502 2.321 -2.015 41 H GLY 6 HN GLY 6 8.615 0.891 -7.490 42 HA2 GLY 6 HA1 GLY 6 10.354 -0.931 -5.951 43 HA3 GLY 6 HA2 GLY 6 10.385 -0.762 -7.700 44 H VAL 7 HN VAL 7 12.197 -0.191 -5.140 45 HA VAL 7 HA VAL 7 12.957 2.539 -5.468 46 HB VAL 7 HB VAL 7 14.554 0.312 -4.198 47 HG11 VAL 7 HG11 VAL 7 14.687 3.312 -3.933 48 HG12 VAL 7 HG12 VAL 7 15.561 2.176 -2.903 49 HG13 VAL 7 HG13 VAL 7 15.910 2.251 -4.631 50 HG21 VAL 7 HG21 VAL 7 13.444 1.780 -2.163 51 HG22 VAL 7 HG22 VAL 7 12.132 1.695 -3.338 52 HG23 VAL 7 HG23 VAL 7 12.868 0.213 -2.729 53 H HIS 8 HN HIS 8 14.280 -0.549 -6.592 54 HA HIS 8 HA HIS 8 16.494 0.684 -7.945 55 HB2 HIS 8 HB1 HIS 8 15.403 -2.122 -8.243 56 HB3 HIS 8 HB2 HIS 8 16.984 -1.554 -8.772 57 HD1 HIS 8 HD1 HIS 8 15.097 -2.638 -5.750 58 HD2 HIS 8 HD2 HIS 8 18.882 -1.225 -6.716 59 HE1 HIS 8 HE1 HIS 8 16.511 -3.057 -3.713 60 H SER 9 HN SER 9 16.849 0.254 -10.318 61 HA SER 9 HA SER 9 14.719 1.435 -11.793 62 HB2 SER 9 HB1 SER 9 16.304 0.846 -13.773 63 HB3 SER 9 HB2 SER 9 16.836 2.034 -12.583 64 HG SER 9 HG SER 9 18.226 0.601 -11.745 65 H THR 10 HN THR 10 12.999 0.428 -12.566 66 HA THR 10 HA THR 10 12.626 -2.347 -12.544 67 HB THR 10 HB THR 10 10.641 -1.888 -14.016 68 HG1 THR 10 HG1 THR 10 11.854 0.112 -14.866 69 HG21 THR 10 HG21 THR 10 10.322 0.180 -11.984 70 HG22 THR 10 HG22 THR 10 11.043 -1.301 -11.352 71 HG23 THR 10 HG23 THR 10 9.482 -1.359 -12.172 72 H LYS 11 HN LYS 11 14.054 -0.257 -14.903 73 HA LYS 11 HA LYS 11 13.739 -1.720 -17.242 74 HB2 LYS 11 HB1 LYS 11 14.920 0.586 -16.731 75 HB3 LYS 11 HB2 LYS 11 16.366 -0.414 -16.672 76 HG2 LYS 11 HG1 LYS 11 14.506 -0.583 -19.005 77 HG3 LYS 11 HG2 LYS 11 15.696 0.716 -18.894 78 HD2 LYS 11 HD1 LYS 11 17.332 -1.288 -18.384 79 HD3 LYS 11 HD2 LYS 11 16.101 -2.216 -19.244 80 HE2 LYS 11 HE1 LYS 11 17.439 -1.609 -20.996 81 HE3 LYS 11 HE2 LYS 11 16.316 -0.250 -20.983 82 HZ1 LYS 11 HZ1 LYS 11 18.297 0.477 -19.245 83 HZ2 LYS 11 HZ2 LYS 11 18.106 1.033 -20.830 84 HZ3 LYS 11 HZ3 LYS 11 19.130 -0.274 -20.511 85 H SER 12 HN SER 12 16.313 -1.969 -14.800 86 HA SER 12 HA SER 12 17.682 -4.091 -16.083 87 HB2 SER 12 HB1 SER 12 18.437 -2.450 -14.164 88 HB3 SER 12 HB2 SER 12 17.814 -3.723 -13.115 89 HG SER 12 HG SER 12 20.088 -3.898 -13.689 90 H GLY 13 HN GLY 13 15.616 -4.099 -13.169 91 HA2 GLY 13 HA1 GLY 13 14.735 -6.805 -13.907 92 HA3 GLY 13 HA2 GLY 13 15.388 -6.529 -12.299 93 H SER 14 HN SER 14 12.761 -5.731 -14.500 94 HA SER 14 HA SER 14 11.245 -4.211 -12.652 95 HB2 SER 14 HB1 SER 14 11.003 -4.338 -15.217 96 HB3 SER 14 HB2 SER 14 10.044 -5.788 -14.921 97 HG SER 14 HG SER 14 8.679 -4.012 -15.002 98 H SER 15 HN SER 15 10.824 -7.561 -13.803 99 HA SER 15 HA SER 15 8.823 -8.168 -11.868 100 HB2 SER 15 HB1 SER 15 9.203 -9.316 -14.126 101 HB3 SER 15 HB2 SER 15 10.505 -10.201 -13.331 102 HG SER 15 HG SER 15 9.064 -11.429 -12.437 103 H VAL 16 HN VAL 16 12.305 -8.514 -12.004 104 HA VAL 16 HA VAL 16 12.548 -10.233 -9.747 105 HB VAL 16 HB VAL 16 14.616 -8.360 -10.907 106 HG11 VAL 16 HG11 VAL 16 14.821 -10.724 -9.053 107 HG12 VAL 16 HG12 VAL 16 16.202 -10.027 -9.902 108 HG13 VAL 16 HG13 VAL 16 15.301 -9.057 -8.736 109 HG21 VAL 16 HG21 VAL 16 15.419 -10.395 -12.094 110 HG22 VAL 16 HG22 VAL 16 13.959 -11.229 -11.563 111 HG23 VAL 16 HG23 VAL 16 13.837 -9.834 -12.635 112 H ASN 17 HN ASN 17 12.176 -6.815 -10.157 113 HA ASN 17 HA ASN 17 13.217 -6.011 -7.636 114 HB2 ASN 17 HB1 ASN 17 13.063 -4.345 -9.331 115 HB3 ASN 17 HB2 ASN 17 11.356 -4.680 -9.604 116 HD21 ASN 17 HD21 ASN 17 13.679 -3.064 -7.632 117 HD22 ASN 17 HD22 ASN 17 12.557 -2.152 -6.687 118 H TRP 18 HN TRP 18 9.889 -6.471 -8.820 119 HA TRP 18 HA TRP 18 8.511 -5.874 -6.506 120 HB2 TRP 18 HB1 TRP 18 7.733 -8.130 -8.355 121 HB3 TRP 18 HB2 TRP 18 6.671 -7.092 -7.407 122 HD1 TRP 18 HD1 TRP 18 7.212 -7.577 -10.804 123 HE1 TRP 18 HE1 TRP 18 7.060 -5.426 -12.208 124 HE3 TRP 18 HE3 TRP 18 7.754 -4.129 -7.069 125 HZ2 TRP 18 HZ2 TRP 18 7.158 -2.636 -11.789 126 HZ3 TRP 18 HZ3 TRP 18 7.714 -1.739 -7.655 127 HH2 TRP 18 HH2 TRP 18 7.423 -1.011 -9.967 128 H GLY 19 HN GLY 19 9.644 -9.099 -7.536 129 HA2 GLY 19 HA1 GLY 19 8.846 -10.445 -5.194 130 HA3 GLY 19 HA2 GLY 19 10.061 -11.008 -6.332 131 H GLU 20 HN GLU 20 11.944 -8.966 -6.085 132 HA GLU 20 HA GLU 20 13.461 -9.827 -3.924 133 HB2 GLU 20 HB1 GLU 20 13.583 -7.499 -5.775 134 HB3 GLU 20 HB2 GLU 20 14.577 -7.439 -4.326 135 HG2 GLU 20 HG1 GLU 20 14.647 -9.844 -6.092 136 HG3 GLU 20 HG2 GLU 20 15.558 -8.397 -6.519 137 H ALA 21 HN ALA 21 11.274 -7.068 -4.193 138 HA ALA 21 HA ALA 21 11.859 -5.771 -1.806 139 HB1 ALA 21 HB1 ALA 21 9.793 -4.659 -2.027 140 HB2 ALA 21 HB2 ALA 21 10.326 -5.003 -3.674 141 HB3 ALA 21 HB3 ALA 21 9.078 -5.999 -2.924 142 H PHE 22 HN PHE 22 9.234 -8.126 -2.369 143 HA PHE 22 HA PHE 22 8.495 -8.363 0.331 144 HB2 PHE 22 HB1 PHE 22 8.176 -10.437 -1.849 145 HB3 PHE 22 HB2 PHE 22 7.252 -10.340 -0.353 146 HD1 PHE 22 HD2 PHE 22 6.170 -7.876 -0.013 147 HD2 PHE 22 HD1 PHE 22 7.102 -9.724 -3.733 148 HE1 PHE 22 HE2 PHE 22 4.506 -6.452 -1.134 149 HE2 PHE 22 HE1 PHE 22 5.440 -8.302 -4.859 150 HZ PHE 22 HZ PHE 22 4.139 -6.664 -3.560 151 H SER 23 HN SER 23 10.656 -10.336 -1.676 152 HA SER 23 HA SER 23 11.256 -12.335 0.147 153 HB2 SER 23 HB1 SER 23 11.963 -12.320 -2.240 154 HB3 SER 23 HB2 SER 23 13.174 -11.101 -1.845 155 HG SER 23 HG SER 23 14.045 -13.219 -1.834 156 H ALA 24 HN ALA 24 12.572 -9.086 -0.138 157 HA ALA 24 HA ALA 24 14.716 -9.379 1.667 158 HB1 ALA 24 HB1 ALA 24 15.023 -7.113 1.467 159 HB2 ALA 24 HB2 ALA 24 14.112 -7.456 -0.004 160 HB3 ALA 24 HB3 ALA 24 13.293 -6.773 1.401 161 H GLY 25 HN GLY 25 11.327 -8.487 2.128 162 HA2 GLY 25 HA1 GLY 25 11.542 -7.753 4.853 163 HA3 GLY 25 HA2 GLY 25 10.063 -8.223 4.028 164 H VAL 26 HN VAL 26 11.199 -10.845 3.264 165 HA VAL 26 HA VAL 26 10.209 -12.401 5.338 166 HB VAL 26 HB VAL 26 12.256 -13.198 3.264 167 HG11 VAL 26 HG11 VAL 26 12.375 -15.078 4.471 168 HG12 VAL 26 HG12 VAL 26 10.947 -14.666 5.424 169 HG13 VAL 26 HG13 VAL 26 10.764 -15.419 3.839 170 HG21 VAL 26 HG21 VAL 26 9.506 -14.085 2.905 171 HG22 VAL 26 HG22 VAL 26 9.676 -12.330 2.862 172 HG23 VAL 26 HG23 VAL 26 10.612 -13.333 1.755 173 H HIS 27 HN HIS 27 13.406 -11.092 4.846 174 HA HIS 27 HA HIS 27 14.837 -12.728 6.627 175 HB2 HIS 27 HB1 HIS 27 15.356 -9.825 5.952 176 HB3 HIS 27 HB2 HIS 27 16.519 -10.958 6.632 177 HD1 HIS 27 HD1 HIS 27 16.686 -9.402 3.817 178 HD2 HIS 27 HD2 HIS 27 15.758 -13.406 4.425 179 HE1 HIS 27 HE1 HIS 27 17.244 -10.558 1.654 180 H ARG 28 HN ARG 28 12.871 -9.862 7.128 181 HA ARG 28 HA ARG 28 13.654 -9.369 9.804 182 HB2 ARG 28 HB1 ARG 28 12.271 -7.930 8.050 183 HB3 ARG 28 HB2 ARG 28 10.908 -8.670 8.879 184 HG2 ARG 28 HG1 ARG 28 11.257 -6.624 9.961 185 HG3 ARG 28 HG2 ARG 28 11.956 -7.838 11.034 186 HD2 ARG 28 HD1 ARG 28 14.146 -7.307 9.695 187 HD3 ARG 28 HD2 ARG 28 13.309 -5.799 9.329 188 HE ARG 28 HE ARG 28 13.066 -5.994 12.012 189 HH11 ARG 28 HH11 ARG 28 15.782 -6.202 9.843 190 HH12 ARG 28 HH12 ARG 28 16.916 -5.577 10.994 191 HH21 ARG 28 HH21 ARG 28 14.550 -5.170 13.536 192 HH22 ARG 28 HH22 ARG 28 16.214 -4.991 13.095 193 H LEU 29 HN LEU 29 10.809 -11.017 8.435 194 HA LEU 29 HA LEU 29 9.765 -11.815 10.950 195 HB2 LEU 29 HB1 LEU 29 9.266 -13.092 8.269 196 HB3 LEU 29 HB2 LEU 29 8.239 -13.186 9.699 197 HG LEU 29 HG LEU 29 8.292 -10.507 9.287 198 HD11 LEU 29 HD11 LEU 29 8.767 -9.905 7.203 199 HD12 LEU 29 HD12 LEU 29 7.751 -11.181 6.533 200 HD13 LEU 29 HD13 LEU 29 9.427 -11.522 6.961 201 HD21 LEU 29 HD21 LEU 29 6.061 -10.732 8.558 202 HD22 LEU 29 HD22 LEU 29 6.363 -12.116 9.608 203 HD23 LEU 29 HD23 LEU 29 6.367 -12.320 7.855 204 H ALA 30 HN ALA 30 12.162 -13.129 8.827 205 HA ALA 30 HA ALA 30 12.120 -15.814 9.679 206 HB1 ALA 30 HB1 ALA 30 13.287 -14.963 7.652 207 HB2 ALA 30 HB2 ALA 30 14.520 -14.272 8.708 208 HB3 ALA 30 HB3 ALA 30 14.278 -16.018 8.660 209 H ASN 31 HN ASN 31 13.308 -12.933 11.163 210 HA ASN 31 HA ASN 31 15.066 -14.312 12.998 211 HB2 ASN 31 HB1 ASN 31 14.127 -11.436 13.053 212 HB3 ASN 31 HB2 ASN 31 15.476 -12.115 13.958 213 HD21 ASN 31 HD21 ASN 31 16.886 -13.521 12.247 214 HD22 ASN 31 HD22 ASN 31 17.436 -12.563 10.918 215 H GLY 32 HN GLY 32 11.770 -13.244 12.892 216 HA2 GLY 32 HA1 GLY 32 11.132 -14.677 15.280 217 HA3 GLY 32 HA2 GLY 32 11.100 -12.940 15.545 218 H GLY 33 HN GLY 33 9.771 -15.507 13.488 219 HA2 GLY 33 HA1 GLY 33 7.114 -14.729 13.767 220 HA3 GLY 33 HA2 GLY 33 7.730 -13.916 12.335 221 H ASN 34 HN ASN 34 6.962 -14.951 10.615 222 HA ASN 34 HA ASN 34 6.715 -17.862 10.671 223 HB2 ASN 34 HB1 ASN 34 5.560 -17.453 8.425 224 HB3 ASN 34 HB2 ASN 34 4.744 -16.841 9.861 225 HD21 ASN 34 HD21 ASN 34 4.474 -14.675 10.127 226 HD22 ASN 34 HD22 ASN 34 4.886 -13.507 8.923 227 H GLY 35 HN GLY 35 8.115 -15.317 8.608 228 HA2 GLY 35 HA1 GLY 35 10.057 -15.346 7.359 229 HA3 GLY 35 HA2 GLY 35 10.421 -16.922 8.045 230 H PHE 36 HN PHE 36 9.423 -18.801 7.088 231 HA PHE 36 HA PHE 36 8.233 -18.441 4.453 232 HB2 PHE 36 HB1 PHE 36 10.920 -18.767 4.554 233 HB3 PHE 36 HB2 PHE 36 10.402 -20.449 4.510 234 HD1 PHE 36 HD2 PHE 36 9.913 -17.205 2.757 235 HD2 PHE 36 HD1 PHE 36 9.929 -21.453 2.484 236 HE1 PHE 36 HE2 PHE 36 9.619 -17.046 0.320 237 HE2 PHE 36 HE1 PHE 36 9.637 -21.301 0.046 238 HZ PHE 36 HZ PHE 36 9.480 -19.095 -1.039 239 H TRP 37 HN TRP 37 7.422 -19.479 7.106 240 HA TRP 37 HA TRP 37 6.208 -21.927 6.157 241 HB2 TRP 37 HB1 TRP 37 6.906 -23.149 8.284 242 HB3 TRP 37 HB2 TRP 37 8.150 -22.941 7.054 243 HD1 TRP 37 HD1 TRP 37 10.091 -21.117 7.580 244 HE1 TRP 37 HE1 TRP 37 10.999 -20.231 9.819 245 HE3 TRP 37 HE3 TRP 37 6.260 -22.565 10.639 246 HZ2 TRP 37 HZ2 TRP 37 10.198 -20.157 12.525 247 HZ3 TRP 37 HZ3 TRP 37 6.408 -22.049 13.041 248 HH2 TRP 37 HH2 TRP 37 8.338 -20.870 13.962 Start of MODEL 2 1 H1 LYS 1 HN LYS 1 1.482 1.016 -2.617 2 HA LYS 1 HA LYS 1 4.158 1.383 -3.387 3 HB2 LYS 1 HB1 LYS 1 3.090 0.748 -0.631 4 HB3 LYS 1 HB2 LYS 1 4.654 1.465 -0.996 5 HG2 LYS 1 HG1 LYS 1 3.614 3.462 -1.817 6 HG3 LYS 1 HG2 LYS 1 2.011 2.738 -1.671 7 HD2 LYS 1 HD1 LYS 1 2.228 2.645 0.734 8 HD3 LYS 1 HD2 LYS 1 3.891 3.230 0.638 9 HE2 LYS 1 HE1 LYS 1 3.221 5.375 -0.001 10 HE3 LYS 1 HE2 LYS 1 1.615 4.829 -0.484 11 HZ1 LYS 1 HZ1 LYS 1 1.109 5.751 1.506 12 HZ2 LYS 1 HZ2 LYS 1 2.638 5.473 2.173 13 HZ3 LYS 1 HZ3 LYS 1 1.520 4.208 2.067 14 H TYR 2 HN TYR 2 3.002 -1.222 -4.167 15 HA TYR 2 HA TYR 2 5.288 -2.835 -3.565 16 HB2 TYR 2 HB1 TYR 2 3.897 -4.731 -2.605 17 HB3 TYR 2 HB2 TYR 2 4.179 -3.363 -1.535 18 HD1 TYR 2 HD1 TYR 2 2.348 -1.760 -1.069 19 HD2 TYR 2 HD2 TYR 2 1.693 -5.306 -3.326 20 HE1 TYR 2 HE1 TYR 2 -0.075 -1.529 -0.717 21 HE2 TYR 2 HE2 TYR 2 -0.732 -5.084 -2.982 22 HH TYR 2 HH TYR 2 -2.370 -3.430 -2.431 23 H TYR 3 HN TYR 3 5.685 -4.140 -5.239 24 HA TYR 3 HA TYR 3 5.450 -5.252 -7.208 25 HB2 TYR 3 HB1 TYR 3 3.757 -6.520 -5.827 26 HB3 TYR 3 HB2 TYR 3 2.517 -5.483 -6.524 27 HD1 TYR 3 HD1 TYR 3 5.295 -7.751 -7.571 28 HD2 TYR 3 HD2 TYR 3 1.442 -6.176 -8.453 29 HE1 TYR 3 HE1 TYR 3 5.124 -9.265 -9.502 30 HE2 TYR 3 HE2 TYR 3 1.260 -7.687 -10.385 31 HH TYR 3 HH TYR 3 3.329 -10.302 -10.875 32 H GLY 4 HN GLY 4 5.534 -2.572 -7.484 33 HA2 GLY 4 HA1 GLY 4 4.182 -2.178 -9.973 34 HA3 GLY 4 HA2 GLY 4 3.474 -1.207 -8.690 35 H ASN 5 HN ASN 5 5.222 -0.010 -7.339 36 HA ASN 5 HA ASN 5 6.763 1.548 -9.241 37 HB2 ASN 5 HB1 ASN 5 6.693 2.044 -6.277 38 HB3 ASN 5 HB2 ASN 5 6.903 3.203 -7.586 39 HD21 ASN 5 HD21 ASN 5 5.041 3.602 -8.967 40 HD22 ASN 5 HD22 ASN 5 3.458 3.515 -8.280 41 H GLY 6 HN GLY 6 8.638 0.601 -9.814 42 HA2 GLY 6 HA1 GLY 6 10.189 -1.152 -8.333 43 HA3 GLY 6 HA2 GLY 6 10.806 -0.131 -9.623 44 H VAL 7 HN VAL 7 11.142 -0.894 -6.433 45 HA VAL 7 HA VAL 7 11.669 1.649 -5.282 46 HB VAL 7 HB VAL 7 12.733 -1.042 -4.414 47 HG11 VAL 7 HG11 VAL 7 13.919 0.234 -3.005 48 HG12 VAL 7 HG12 VAL 7 12.952 1.671 -3.344 49 HG13 VAL 7 HG13 VAL 7 12.385 0.481 -2.171 50 HG21 VAL 7 HG21 VAL 7 10.742 -0.590 -2.707 51 HG22 VAL 7 HG22 VAL 7 10.091 0.268 -4.104 52 HG23 VAL 7 HG23 VAL 7 10.501 -1.442 -4.232 53 H HIS 8 HN HIS 8 13.825 -0.915 -6.495 54 HA HIS 8 HA HIS 8 16.143 0.789 -6.247 55 HB2 HIS 8 HB1 HIS 8 15.779 -1.984 -7.394 56 HB3 HIS 8 HB2 HIS 8 17.331 -1.157 -7.299 57 HD1 HIS 8 HD1 HIS 8 14.649 -2.613 -5.079 58 HD2 HIS 8 HD2 HIS 8 18.581 -1.291 -4.854 59 HE1 HIS 8 HE1 HIS 8 15.454 -3.285 -2.793 60 H SER 9 HN SER 9 15.110 -1.123 -9.060 61 HA SER 9 HA SER 9 14.809 1.119 -10.780 62 HB2 SER 9 HB1 SER 9 17.118 1.416 -10.874 63 HB3 SER 9 HB2 SER 9 17.447 -0.311 -10.735 64 HG SER 9 HG SER 9 16.393 1.054 -12.989 65 H THR 10 HN THR 10 13.350 0.476 -12.205 66 HA THR 10 HA THR 10 12.642 -2.242 -12.563 67 HB THR 10 HB THR 10 10.932 -0.588 -12.835 68 HG1 THR 10 HG1 THR 10 11.253 -2.490 -14.469 69 HG21 THR 10 HG21 THR 10 11.470 0.670 -15.282 70 HG22 THR 10 HG22 THR 10 12.961 0.787 -14.347 71 HG23 THR 10 HG23 THR 10 11.450 1.408 -13.681 72 H LYS 11 HN LYS 11 14.860 -0.140 -14.183 73 HA LYS 11 HA LYS 11 15.029 -1.297 -16.701 74 HB2 LYS 11 HB1 LYS 11 16.962 0.166 -14.952 75 HB3 LYS 11 HB2 LYS 11 17.560 -0.600 -16.418 76 HG2 LYS 11 HG1 LYS 11 15.213 1.262 -16.477 77 HG3 LYS 11 HG2 LYS 11 16.873 1.859 -16.535 78 HD2 LYS 11 HD1 LYS 11 17.310 0.689 -18.559 79 HD3 LYS 11 HD2 LYS 11 15.802 -0.220 -18.434 80 HE2 LYS 11 HE1 LYS 11 14.554 1.903 -18.676 81 HE3 LYS 11 HE2 LYS 11 16.084 2.747 -18.902 82 HZ1 LYS 11 HZ1 LYS 11 14.557 1.243 -20.782 83 HZ2 LYS 11 HZ2 LYS 11 16.152 0.686 -20.701 84 HZ3 LYS 11 HZ3 LYS 11 15.841 2.311 -21.052 85 H SER 12 HN SER 12 16.666 -2.216 -13.694 86 HA SER 12 HA SER 12 18.204 -4.305 -14.830 87 HB2 SER 12 HB1 SER 12 18.595 -5.011 -12.510 88 HB3 SER 12 HB2 SER 12 18.770 -3.264 -12.670 89 HG SER 12 HG SER 12 17.142 -2.997 -11.369 90 H GLY 13 HN GLY 13 14.969 -4.143 -13.483 91 HA2 GLY 13 HA1 GLY 13 13.802 -6.176 -14.810 92 HA3 GLY 13 HA2 GLY 13 14.630 -7.020 -13.509 93 H SER 14 HN SER 14 11.878 -5.229 -14.411 94 HA SER 14 HA SER 14 11.015 -4.257 -11.922 95 HB2 SER 14 HB1 SER 14 8.666 -4.729 -13.162 96 HB3 SER 14 HB2 SER 14 9.701 -3.356 -13.554 97 HG SER 14 HG SER 14 9.159 -5.648 -15.009 98 H SER 15 HN SER 15 10.447 -7.356 -13.543 99 HA SER 15 HA SER 15 8.724 -8.404 -11.548 100 HB2 SER 15 HB1 SER 15 10.407 -9.809 -13.635 101 HB3 SER 15 HB2 SER 15 9.180 -10.597 -12.644 102 HG SER 15 HG SER 15 8.877 -9.142 -14.893 103 H VAL 16 HN VAL 16 12.206 -8.580 -12.092 104 HA VAL 16 HA VAL 16 12.737 -10.448 -10.016 105 HB VAL 16 HB VAL 16 14.621 -8.424 -11.234 106 HG11 VAL 16 HG11 VAL 16 15.677 -9.208 -9.312 107 HG12 VAL 16 HG12 VAL 16 15.018 -10.834 -9.496 108 HG13 VAL 16 HG13 VAL 16 16.292 -10.269 -10.578 109 HG21 VAL 16 HG21 VAL 16 13.816 -11.190 -12.086 110 HG22 VAL 16 HG22 VAL 16 13.818 -9.704 -13.035 111 HG23 VAL 16 HG23 VAL 16 15.344 -10.464 -12.584 112 H ASN 17 HN ASN 17 12.205 -7.034 -10.090 113 HA ASN 17 HA ASN 17 13.526 -6.364 -7.667 114 HB2 ASN 17 HB1 ASN 17 11.494 -5.035 -9.416 115 HB3 ASN 17 HB2 ASN 17 11.789 -4.387 -7.805 116 HD21 ASN 17 HD21 ASN 17 12.364 -2.589 -9.429 117 HD22 ASN 17 HD22 ASN 17 14.037 -2.481 -9.848 118 H TRP 18 HN TRP 18 10.183 -7.226 -8.458 119 HA TRP 18 HA TRP 18 9.099 -6.823 -5.896 120 HB2 TRP 18 HB1 TRP 18 8.116 -8.922 -7.821 121 HB3 TRP 18 HB2 TRP 18 7.183 -7.968 -6.671 122 HD1 TRP 18 HD1 TRP 18 7.170 -8.214 -10.107 123 HE1 TRP 18 HE1 TRP 18 6.851 -5.977 -11.338 124 HE3 TRP 18 HE3 TRP 18 8.413 -5.017 -6.316 125 HZ2 TRP 18 HZ2 TRP 18 7.095 -3.221 -10.778 126 HZ3 TRP 18 HZ3 TRP 18 8.345 -2.595 -6.746 127 HH2 TRP 18 HH2 TRP 18 7.700 -1.718 -8.932 128 H GLY 19 HN GLY 19 9.987 -9.913 -7.460 129 HA2 GLY 19 HA1 GLY 19 9.655 -11.545 -5.234 130 HA3 GLY 19 HA2 GLY 19 10.747 -11.886 -6.568 131 H GLU 20 HN GLU 20 12.210 -9.317 -5.953 132 HA GLU 20 HA GLU 20 14.053 -10.494 -4.058 133 HB2 GLU 20 HB1 GLU 20 14.106 -8.180 -5.937 134 HB3 GLU 20 HB2 GLU 20 15.208 -8.156 -4.568 135 HG2 GLU 20 HG1 GLU 20 15.027 -10.378 -6.589 136 HG3 GLU 20 HG2 GLU 20 16.214 -9.076 -6.619 137 H ALA 21 HN ALA 21 11.994 -7.620 -4.259 138 HA ALA 21 HA ALA 21 12.763 -6.507 -1.776 139 HB1 ALA 21 HB1 ALA 21 10.508 -5.304 -2.007 140 HB2 ALA 21 HB2 ALA 21 11.731 -5.020 -3.247 141 HB3 ALA 21 HB3 ALA 21 10.390 -6.120 -3.566 142 H PHE 22 HN PHE 22 9.751 -8.213 -2.657 143 HA PHE 22 HA PHE 22 8.685 -8.424 -0.111 144 HB2 PHE 22 HB1 PHE 22 8.430 -10.391 -2.396 145 HB3 PHE 22 HB2 PHE 22 7.374 -10.325 -0.989 146 HD1 PHE 22 HD2 PHE 22 6.925 -7.461 -0.668 147 HD2 PHE 22 HD1 PHE 22 7.118 -9.819 -4.207 148 HE1 PHE 22 HE2 PHE 22 5.487 -5.835 -1.826 149 HE2 PHE 22 HE1 PHE 22 5.681 -8.196 -5.371 150 HZ PHE 22 HZ PHE 22 4.862 -6.202 -4.180 151 H SER 23 HN SER 23 11.159 -10.346 -1.663 152 HA SER 23 HA SER 23 11.167 -12.549 0.074 153 HB2 SER 23 HB1 SER 23 12.446 -12.943 -1.807 154 HB3 SER 23 HB2 SER 23 13.151 -11.327 -1.796 155 HG SER 23 HG SER 23 14.563 -11.940 -0.243 156 H ALA 24 HN ALA 24 12.561 -9.354 0.350 157 HA ALA 24 HA ALA 24 14.308 -9.879 2.511 158 HB1 ALA 24 HB1 ALA 24 14.639 -7.582 2.637 159 HB2 ALA 24 HB2 ALA 24 14.212 -7.836 0.944 160 HB3 ALA 24 HB3 ALA 24 13.008 -7.217 2.074 161 H GLY 25 HN GLY 25 11.046 -8.427 2.444 162 HA2 GLY 25 HA1 GLY 25 10.684 -8.062 5.160 163 HA3 GLY 25 HA2 GLY 25 9.384 -8.404 4.029 164 H VAL 26 HN VAL 26 10.371 -11.022 3.288 165 HA VAL 26 HA VAL 26 9.033 -12.592 5.176 166 HB VAL 26 HB VAL 26 11.105 -13.505 3.175 167 HG11 VAL 26 HG11 VAL 26 8.903 -15.027 4.566 168 HG12 VAL 26 HG12 VAL 26 9.970 -15.670 3.316 169 HG13 VAL 26 HG13 VAL 26 10.632 -15.185 4.878 170 HG21 VAL 26 HG21 VAL 26 9.634 -13.104 1.560 171 HG22 VAL 26 HG22 VAL 26 8.395 -14.028 2.410 172 HG23 VAL 26 HG23 VAL 26 8.596 -12.308 2.743 173 H HIS 27 HN HIS 27 12.498 -12.018 4.701 174 HA HIS 27 HA HIS 27 13.431 -13.812 6.650 175 HB2 HIS 27 HB1 HIS 27 14.710 -12.456 4.812 176 HB3 HIS 27 HB2 HIS 27 14.861 -11.240 6.077 177 HD1 HIS 27 HD1 HIS 27 16.163 -12.024 8.276 178 HD2 HIS 27 HD2 HIS 27 16.484 -14.535 4.981 179 HE1 HIS 27 HE1 HIS 27 18.123 -13.524 8.761 180 H ARG 28 HN ARG 28 12.596 -10.372 6.852 181 HA ARG 28 HA ARG 28 13.351 -10.009 9.542 182 HB2 ARG 28 HB1 ARG 28 11.642 -8.540 7.595 183 HB3 ARG 28 HB2 ARG 28 11.473 -8.136 9.298 184 HG2 ARG 28 HG1 ARG 28 13.052 -6.659 8.180 185 HG3 ARG 28 HG2 ARG 28 13.846 -7.622 9.428 186 HD2 ARG 28 HD1 ARG 28 14.940 -8.960 7.878 187 HD3 ARG 28 HD2 ARG 28 13.804 -8.562 6.589 188 HE ARG 28 HE ARG 28 15.020 -6.193 7.176 189 HH11 ARG 28 HH11 ARG 28 16.129 -9.364 6.260 190 HH12 ARG 28 HH12 ARG 28 17.541 -8.777 5.445 191 HH21 ARG 28 HH21 ARG 28 16.876 -5.409 6.107 192 HH22 ARG 28 HH22 ARG 28 17.965 -6.527 5.359 193 H LEU 29 HN LEU 29 10.431 -11.224 8.045 194 HA LEU 29 HA LEU 29 8.772 -11.082 10.342 195 HB2 LEU 29 HB1 LEU 29 8.660 -12.645 7.785 196 HB3 LEU 29 HB2 LEU 29 7.473 -12.897 9.064 197 HG LEU 29 HG LEU 29 7.946 -10.169 7.910 198 HD11 LEU 29 HD11 LEU 29 7.403 -11.173 5.930 199 HD12 LEU 29 HD12 LEU 29 5.791 -10.850 6.566 200 HD13 LEU 29 HD13 LEU 29 6.486 -12.464 6.705 201 HD21 LEU 29 HD21 LEU 29 6.657 -10.096 9.872 202 HD22 LEU 29 HD22 LEU 29 5.738 -11.533 9.424 203 HD23 LEU 29 HD23 LEU 29 5.489 -10.018 8.554 204 H ALA 30 HN ALA 30 11.094 -13.411 9.174 205 HA ALA 30 HA ALA 30 10.331 -15.637 10.697 206 HB1 ALA 30 HB1 ALA 30 12.142 -15.319 8.808 207 HB2 ALA 30 HB2 ALA 30 13.218 -15.131 10.193 208 HB3 ALA 30 HB3 ALA 30 12.278 -16.610 10.001 209 H ASN 31 HN ASN 31 12.016 -12.724 11.560 210 HA ASN 31 HA ASN 31 12.963 -13.787 14.084 211 HB2 ASN 31 HB1 ASN 31 13.183 -11.146 12.680 212 HB3 ASN 31 HB2 ASN 31 13.537 -11.253 14.401 213 HD21 ASN 31 HD21 ASN 31 14.211 -13.231 11.529 214 HD22 ASN 31 HD22 ASN 31 15.905 -13.392 11.832 215 H GLY 32 HN GLY 32 10.251 -12.000 12.860 216 HA2 GLY 32 HA1 GLY 32 8.978 -12.165 15.472 217 HA3 GLY 32 HA2 GLY 32 9.215 -10.542 14.840 218 H GLY 33 HN GLY 33 7.706 -13.669 14.147 219 HA2 GLY 33 HA1 GLY 33 5.204 -13.070 13.604 220 HA3 GLY 33 HA2 GLY 33 5.962 -12.396 12.169 221 H ASN 34 HN ASN 34 6.255 -13.695 10.472 222 HA ASN 34 HA ASN 34 6.581 -16.554 10.828 223 HB2 ASN 34 HB1 ASN 34 4.714 -16.931 9.081 224 HB3 ASN 34 HB2 ASN 34 4.241 -16.627 10.750 225 HD21 ASN 34 HD21 ASN 34 3.962 -15.642 7.533 226 HD22 ASN 34 HD22 ASN 34 3.059 -14.193 7.797 227 H GLY 35 HN GLY 35 8.403 -16.811 9.694 228 HA2 GLY 35 HA1 GLY 35 8.831 -15.301 7.239 229 HA3 GLY 35 HA2 GLY 35 10.006 -16.324 8.052 230 H PHE 36 HN PHE 36 10.481 -18.177 7.087 231 HA PHE 36 HA PHE 36 8.432 -19.524 5.485 232 HB2 PHE 36 HB1 PHE 36 10.408 -18.034 4.284 233 HB3 PHE 36 HB2 PHE 36 11.104 -19.651 4.284 234 HD1 PHE 36 HD1 PHE 36 8.981 -21.444 3.773 235 HD2 PHE 36 HD2 PHE 36 9.553 -17.521 2.225 236 HE1 PHE 36 HE1 PHE 36 7.627 -22.027 1.803 237 HE2 PHE 36 HE2 PHE 36 8.199 -18.097 0.253 238 HZ PHE 36 HZ PHE 36 7.234 -20.353 0.040 239 H TRP 37 HN TRP 37 9.661 -20.008 8.113 240 HA TRP 37 HA TRP 37 11.346 -22.339 7.707 241 HB2 TRP 37 HB1 TRP 37 10.405 -20.819 10.124 242 HB3 TRP 37 HB2 TRP 37 11.146 -22.408 10.292 243 HD1 TRP 37 HD1 TRP 37 12.304 -19.639 7.857 244 HE1 TRP 37 HE1 TRP 37 14.736 -19.029 8.440 245 HE3 TRP 37 HE3 TRP 37 12.887 -22.528 12.034 246 HZ2 TRP 37 HZ2 TRP 37 16.648 -19.687 10.409 247 HZ3 TRP 37 HZ3 TRP 37 15.048 -22.481 13.209 248 HH2 TRP 37 HH2 TRP 37 16.889 -21.090 12.411 Start of MODEL 3 1 H1 LYS 1 HN LYS 1 0.791 -1.463 0.445 2 HA LYS 1 HA LYS 1 1.123 -0.595 -2.337 3 HB2 LYS 1 HB1 LYS 1 3.519 0.032 -1.715 4 HB3 LYS 1 HB2 LYS 1 2.250 1.143 -1.217 5 HG2 LYS 1 HG1 LYS 1 2.311 0.212 1.038 6 HG3 LYS 1 HG2 LYS 1 3.579 -0.911 0.540 7 HD2 LYS 1 HD1 LYS 1 5.151 0.799 0.277 8 HD3 LYS 1 HD2 LYS 1 3.911 2.053 0.212 9 HE2 LYS 1 HE1 LYS 1 3.493 1.890 2.533 10 HE3 LYS 1 HE2 LYS 1 4.401 0.385 2.666 11 HZ1 LYS 1 HZ1 LYS 1 5.334 2.993 3.003 12 HZ2 LYS 1 HZ2 LYS 1 6.091 2.366 1.626 13 HZ3 LYS 1 HZ3 LYS 1 6.213 1.551 3.103 14 H TYR 2 HN TYR 2 1.527 -2.362 -3.479 15 HA TYR 2 HA TYR 2 3.665 -4.137 -2.750 16 HB2 TYR 2 HB1 TYR 2 2.170 -6.187 -2.880 17 HB3 TYR 2 HB2 TYR 2 2.037 -5.227 -1.411 18 HD1 TYR 2 HD1 TYR 2 0.361 -6.201 -4.530 19 HD2 TYR 2 HD2 TYR 2 0.016 -4.011 -0.898 20 HE1 TYR 2 HE1 TYR 2 -2.065 -6.010 -4.883 21 HE2 TYR 2 HE2 TYR 2 -2.412 -3.816 -1.241 22 HH TYR 2 HH TYR 2 -4.205 -5.227 -2.557 23 H TYR 3 HN TYR 3 4.606 -4.930 -4.531 24 HA TYR 3 HA TYR 3 5.037 -5.377 -6.719 25 HB2 TYR 3 HB1 TYR 3 2.910 -6.812 -6.281 26 HB3 TYR 3 HB2 TYR 3 2.090 -5.596 -7.254 27 HD1 TYR 3 HD1 TYR 3 4.693 -8.209 -7.289 28 HD2 TYR 3 HD2 TYR 3 2.372 -5.514 -9.624 29 HE1 TYR 3 HE1 TYR 3 5.414 -9.369 -9.334 30 HE2 TYR 3 HE2 TYR 3 3.086 -6.668 -11.676 31 HH TYR 3 HH TYR 3 3.994 -8.691 -12.429 32 H GLY 4 HN GLY 4 5.177 -2.779 -6.200 33 HA2 GLY 4 HA1 GLY 4 4.563 -1.578 -8.718 34 HA3 GLY 4 HA2 GLY 4 3.518 -0.967 -7.444 35 H ASN 5 HN ASN 5 5.427 -1.059 -5.333 36 HA ASN 5 HA ASN 5 6.872 1.371 -5.957 37 HB2 ASN 5 HB1 ASN 5 5.767 1.355 -3.841 38 HB3 ASN 5 HB2 ASN 5 6.479 -0.196 -3.407 39 HD21 ASN 5 HD21 ASN 5 7.833 0.105 -1.798 40 HD22 ASN 5 HD22 ASN 5 9.009 1.365 -1.680 41 H GLY 6 HN GLY 6 8.660 1.002 -7.159 42 HA2 GLY 6 HA1 GLY 6 10.691 -0.773 -5.970 43 HA3 GLY 6 HA2 GLY 6 10.337 -0.859 -7.689 44 H VAL 7 HN VAL 7 12.382 0.427 -5.434 45 HA VAL 7 HA VAL 7 12.889 2.982 -6.630 46 HB VAL 7 HB VAL 7 14.705 1.420 -4.792 47 HG11 VAL 7 HG11 VAL 7 14.908 3.971 -6.087 48 HG12 VAL 7 HG12 VAL 7 14.863 4.185 -4.336 49 HG13 VAL 7 HG13 VAL 7 16.082 3.141 -5.067 50 HG21 VAL 7 HG21 VAL 7 12.266 3.048 -4.251 51 HG22 VAL 7 HG22 VAL 7 12.808 1.549 -3.497 52 HG23 VAL 7 HG23 VAL 7 13.594 3.074 -3.091 53 H HIS 8 HN HIS 8 14.127 -0.261 -7.020 54 HA HIS 8 HA HIS 8 16.430 0.517 -8.546 55 HB2 HIS 8 HB1 HIS 8 15.080 -2.157 -8.144 56 HB3 HIS 8 HB2 HIS 8 16.570 -1.938 -9.058 57 HD1 HIS 8 HD1 HIS 8 15.372 -0.949 -5.573 58 HD2 HIS 8 HD2 HIS 8 18.707 -2.485 -7.516 59 HE1 HIS 8 HE1 HIS 8 17.079 -1.343 -3.769 60 H SER 9 HN SER 9 16.763 -0.260 -10.798 61 HA SER 9 HA SER 9 14.650 0.706 -12.466 62 HB2 SER 9 HB1 SER 9 16.984 -0.773 -13.604 63 HB3 SER 9 HB2 SER 9 16.195 0.694 -14.183 64 HG SER 9 HG SER 9 18.403 0.638 -12.913 65 H THR 10 HN THR 10 13.005 -0.414 -13.250 66 HA THR 10 HA THR 10 12.681 -3.187 -12.806 67 HB THR 10 HB THR 10 10.748 -2.863 -14.522 68 HG1 THR 10 HG1 THR 10 11.527 -0.894 -15.398 69 HG21 THR 10 HG21 THR 10 11.011 -2.395 -11.769 70 HG22 THR 10 HG22 THR 10 9.524 -2.705 -12.665 71 HG23 THR 10 HG23 THR 10 10.063 -1.048 -12.396 72 H LYS 11 HN LYS 11 13.904 -1.328 -15.494 73 HA LYS 11 HA LYS 11 13.687 -3.193 -17.553 74 HB2 LYS 11 HB1 LYS 11 15.767 -1.071 -17.022 75 HB3 LYS 11 HB2 LYS 11 15.716 -2.014 -18.505 76 HG2 LYS 11 HG1 LYS 11 13.357 -1.180 -18.813 77 HG3 LYS 11 HG2 LYS 11 13.673 -0.061 -17.486 78 HD2 LYS 11 HD1 LYS 11 15.672 0.746 -18.792 79 HD3 LYS 11 HD2 LYS 11 15.073 -0.211 -20.150 80 HE2 LYS 11 HE1 LYS 11 13.559 1.993 -18.752 81 HE3 LYS 11 HE2 LYS 11 14.391 2.146 -20.298 82 HZ1 LYS 11 HZ1 LYS 11 12.430 1.584 -21.166 83 HZ2 LYS 11 HZ2 LYS 11 11.828 0.984 -19.704 84 HZ3 LYS 11 HZ3 LYS 11 12.794 0.003 -20.686 85 H SER 12 HN SER 12 16.152 -2.835 -15.049 86 HA SER 12 HA SER 12 17.949 -4.763 -16.053 87 HB2 SER 12 HB1 SER 12 17.495 -3.734 -13.246 88 HB3 SER 12 HB2 SER 12 18.823 -4.806 -13.692 89 HG SER 12 HG SER 12 18.686 -2.161 -13.930 90 H GLY 13 HN GLY 13 15.013 -5.010 -14.203 91 HA2 GLY 13 HA1 GLY 13 14.562 -7.689 -14.733 92 HA3 GLY 13 HA2 GLY 13 15.426 -7.642 -13.203 93 H SER 14 HN SER 14 12.419 -7.272 -14.766 94 HA SER 14 HA SER 14 11.036 -5.697 -12.891 95 HB2 SER 14 HB1 SER 14 9.898 -5.982 -14.909 96 HB3 SER 14 HB2 SER 14 10.196 -7.720 -14.945 97 HG SER 14 HG SER 14 8.541 -8.052 -13.631 98 H SER 15 HN SER 15 11.528 -9.196 -13.115 99 HA SER 15 HA SER 15 9.902 -9.852 -10.883 100 HB2 SER 15 HB1 SER 15 10.393 -11.559 -12.509 101 HB3 SER 15 HB2 SER 15 12.128 -11.368 -12.262 102 HG SER 15 HG SER 15 11.750 -13.004 -10.952 103 H VAL 16 HN VAL 16 13.336 -9.159 -11.276 104 HA VAL 16 HA VAL 16 14.106 -9.857 -8.636 105 HB VAL 16 HB VAL 16 15.444 -7.954 -10.565 106 HG11 VAL 16 HG11 VAL 16 17.488 -8.576 -9.206 107 HG12 VAL 16 HG12 VAL 16 16.323 -7.511 -8.417 108 HG13 VAL 16 HG13 VAL 16 16.375 -9.225 -8.003 109 HG21 VAL 16 HG21 VAL 16 15.438 -10.907 -10.276 110 HG22 VAL 16 HG22 VAL 16 15.567 -9.911 -11.726 111 HG23 VAL 16 HG23 VAL 16 16.968 -10.126 -10.677 112 H ASN 17 HN ASN 17 12.696 -7.017 -10.054 113 HA ASN 17 HA ASN 17 13.378 -5.225 -7.933 114 HB2 ASN 17 HB1 ASN 17 11.634 -5.131 -10.346 115 HB3 ASN 17 HB2 ASN 17 11.304 -3.976 -9.059 116 HD21 ASN 17 HD21 ASN 17 14.356 -5.322 -10.234 117 HD22 ASN 17 HD22 ASN 17 15.064 -3.803 -10.658 118 H TRP 18 HN TRP 18 10.133 -6.283 -8.957 119 HA TRP 18 HA TRP 18 8.796 -5.615 -6.638 120 HB2 TRP 18 HB1 TRP 18 8.100 -8.032 -8.306 121 HB3 TRP 18 HB2 TRP 18 7.007 -6.998 -7.390 122 HD1 TRP 18 HD1 TRP 18 7.467 -7.678 -10.765 123 HE1 TRP 18 HE1 TRP 18 7.136 -5.639 -12.301 124 HE3 TRP 18 HE3 TRP 18 7.914 -3.959 -7.286 125 HZ2 TRP 18 HZ2 TRP 18 7.073 -2.827 -12.069 126 HZ3 TRP 18 HZ3 TRP 18 7.706 -1.621 -8.025 127 HH2 TRP 18 HH2 TRP 18 7.295 -1.069 -10.367 128 H GLY 19 HN GLY 19 10.565 -8.571 -7.398 129 HA2 GLY 19 HA1 GLY 19 9.747 -10.055 -5.133 130 HA3 GLY 19 HA2 GLY 19 11.187 -10.356 -6.094 131 H GLU 20 HN GLU 20 12.614 -8.034 -5.709 132 HA GLU 20 HA GLU 20 13.933 -8.511 -3.311 133 HB2 GLU 20 HB1 GLU 20 13.920 -6.297 -5.296 134 HB3 GLU 20 HB2 GLU 20 14.652 -5.971 -3.731 135 HG2 GLU 20 HG1 GLU 20 15.417 -8.390 -5.316 136 HG3 GLU 20 HG2 GLU 20 16.143 -6.816 -5.639 137 H ALA 21 HN ALA 21 11.200 -6.450 -4.009 138 HA ALA 21 HA ALA 21 11.252 -4.885 -1.663 139 HB1 ALA 21 HB1 ALA 21 9.255 -4.025 -2.358 140 HB2 ALA 21 HB2 ALA 21 9.835 -4.700 -3.881 141 HB3 ALA 21 HB3 ALA 21 8.651 -5.584 -2.920 142 H PHE 22 HN PHE 22 9.224 -7.715 -2.456 143 HA PHE 22 HA PHE 22 8.163 -7.994 0.142 144 HB2 PHE 22 HB1 PHE 22 8.454 -10.120 -1.990 145 HB3 PHE 22 HB2 PHE 22 7.361 -10.171 -0.611 146 HD1 PHE 22 HD1 PHE 22 5.989 -7.748 -0.493 147 HD2 PHE 22 HD2 PHE 22 7.357 -9.792 -3.966 148 HE1 PHE 22 HE1 PHE 22 4.248 -6.635 -1.830 149 HE2 PHE 22 HE2 PHE 22 5.620 -8.682 -5.309 150 HZ PHE 22 HZ PHE 22 4.063 -7.100 -4.241 151 H SER 23 HN SER 23 10.894 -9.545 -1.491 152 HA SER 23 HA SER 23 11.565 -11.434 0.424 153 HB2 SER 23 HB1 SER 23 12.597 -11.181 -1.859 154 HB3 SER 23 HB2 SER 23 13.557 -9.851 -1.213 155 HG SER 23 HG SER 23 13.642 -12.589 -0.529 156 H ALA 24 HN ALA 24 12.080 -7.988 0.410 157 HA ALA 24 HA ALA 24 14.088 -7.746 2.324 158 HB1 ALA 24 HB1 ALA 24 13.261 -5.488 2.693 159 HB2 ALA 24 HB2 ALA 24 13.270 -5.875 0.972 160 HB3 ALA 24 HB3 ALA 24 11.753 -5.892 1.872 161 H GLY 25 HN GLY 25 10.566 -7.951 2.751 162 HA2 GLY 25 HA1 GLY 25 10.699 -7.741 5.604 163 HA3 GLY 25 HA2 GLY 25 9.291 -8.201 4.658 164 H VAL 26 HN VAL 26 10.618 -10.407 3.317 165 HA VAL 26 HA VAL 26 9.972 -12.491 5.053 166 HB VAL 26 HB VAL 26 11.829 -12.580 2.670 167 HG11 VAL 26 HG11 VAL 26 10.662 -14.681 4.423 168 HG12 VAL 26 HG12 VAL 26 10.817 -15.015 2.697 169 HG13 VAL 26 HG13 VAL 26 12.244 -14.605 3.649 170 HG21 VAL 26 HG21 VAL 26 8.996 -12.186 2.891 171 HG22 VAL 26 HG22 VAL 26 10.009 -12.209 1.448 172 HG23 VAL 26 HG23 VAL 26 9.330 -13.712 2.072 173 H HIS 27 HN HIS 27 13.124 -11.068 4.278 174 HA HIS 27 HA HIS 27 14.680 -12.865 5.794 175 HB2 HIS 27 HB1 HIS 27 15.411 -11.123 4.015 176 HB3 HIS 27 HB2 HIS 27 15.458 -9.993 5.365 177 HD1 HIS 27 HD1 HIS 27 17.145 -10.668 7.350 178 HD2 HIS 27 HD2 HIS 27 17.627 -12.694 3.755 179 HE1 HIS 27 HE1 HIS 27 19.436 -11.700 7.462 180 H ARG 28 HN ARG 28 13.281 -9.702 6.585 181 HA ARG 28 HA ARG 28 14.350 -9.533 9.191 182 HB2 ARG 28 HB1 ARG 28 11.932 -8.246 7.924 183 HB3 ARG 28 HB2 ARG 28 12.483 -7.868 9.551 184 HG2 ARG 28 HG1 ARG 28 14.308 -7.620 7.188 185 HG3 ARG 28 HG2 ARG 28 13.199 -6.325 7.645 186 HD2 ARG 28 HD1 ARG 28 15.001 -7.533 9.699 187 HD3 ARG 28 HD2 ARG 28 15.644 -6.350 8.561 188 HE ARG 28 HE ARG 28 13.239 -5.479 9.856 189 HH11 ARG 28 HH11 ARG 28 16.700 -5.716 10.144 190 HH12 ARG 28 HH12 ARG 28 16.829 -4.393 11.255 191 HH21 ARG 28 HH21 ARG 28 13.395 -3.736 11.318 192 HH22 ARG 28 HH22 ARG 28 14.948 -3.268 11.923 193 H LEU 29 HN LEU 29 11.411 -10.966 7.903 194 HA LEU 29 HA LEU 29 10.119 -11.427 10.372 195 HB2 LEU 29 HB1 LEU 29 9.887 -12.751 7.682 196 HB3 LEU 29 HB2 LEU 29 8.875 -13.195 9.055 197 HG LEU 29 HG LEU 29 8.947 -10.345 8.178 198 HD11 LEU 29 HD11 LEU 29 6.775 -11.489 6.871 199 HD12 LEU 29 HD12 LEU 29 8.136 -12.547 6.500 200 HD13 LEU 29 HD13 LEU 29 8.233 -10.825 6.132 201 HD21 LEU 29 HD21 LEU 29 6.914 -12.181 9.428 202 HD22 LEU 29 HD22 LEU 29 6.543 -10.546 8.879 203 HD23 LEU 29 HD23 LEU 29 7.724 -10.799 10.166 204 H ALA 30 HN ALA 30 12.659 -13.081 8.691 205 HA ALA 30 HA ALA 30 12.489 -15.637 9.762 206 HB1 ALA 30 HB1 ALA 30 14.179 -14.466 8.060 207 HB2 ALA 30 HB2 ALA 30 15.196 -14.470 9.502 208 HB3 ALA 30 HB3 ALA 30 14.546 -15.986 8.877 209 H ASN 31 HN ASN 31 13.720 -12.672 11.184 210 HA ASN 31 HA ASN 31 14.673 -14.075 13.548 211 HB2 ASN 31 HB1 ASN 31 14.781 -11.207 12.635 212 HB3 ASN 31 HB2 ASN 31 15.202 -11.661 14.284 213 HD21 ASN 31 HD21 ASN 31 16.982 -13.072 14.614 214 HD22 ASN 31 HD22 ASN 31 18.246 -13.180 13.442 215 H GLY 32 HN GLY 32 11.953 -12.188 12.485 216 HA2 GLY 32 HA1 GLY 32 10.543 -12.839 14.936 217 HA3 GLY 32 HA2 GLY 32 10.802 -11.122 14.664 218 H GLY 33 HN GLY 33 9.167 -14.001 13.531 219 HA2 GLY 33 HA1 GLY 33 6.782 -13.011 12.853 220 HA3 GLY 33 HA2 GLY 33 7.745 -12.530 11.463 221 H ASN 34 HN ASN 34 9.371 -15.086 11.958 222 HA ASN 34 HA ASN 34 9.443 -17.195 11.108 223 HB2 ASN 34 HB1 ASN 34 6.464 -17.391 11.486 224 HB3 ASN 34 HB2 ASN 34 7.676 -18.662 11.621 225 HD21 ASN 34 HD21 ASN 34 9.073 -18.650 13.454 226 HD22 ASN 34 HD22 ASN 34 8.565 -17.915 14.932 227 H GLY 35 HN GLY 35 9.357 -15.223 9.221 228 HA2 GLY 35 HA1 GLY 35 7.319 -15.831 7.254 229 HA3 GLY 35 HA2 GLY 35 8.626 -14.669 7.081 230 H PHE 36 HN PHE 36 7.735 -18.050 6.824 231 HA PHE 36 HA PHE 36 10.277 -18.640 5.491 232 HB2 PHE 36 HB1 PHE 36 8.091 -20.432 6.557 233 HB3 PHE 36 HB2 PHE 36 9.464 -21.027 5.629 234 HD1 PHE 36 HD1 PHE 36 11.816 -20.305 6.548 235 HD2 PHE 36 HD2 PHE 36 8.236 -20.393 8.849 236 HE1 PHE 36 HE1 PHE 36 13.149 -20.449 8.611 237 HE2 PHE 36 HE2 PHE 36 9.564 -20.536 10.915 238 HZ PHE 36 HZ PHE 36 12.024 -20.563 10.798 239 H TRP 37 HN TRP 37 6.862 -18.325 4.921 240 HA TRP 37 HA TRP 37 7.071 -19.423 2.231 241 HB2 TRP 37 HB1 TRP 37 4.872 -18.742 4.082 242 HB3 TRP 37 HB2 TRP 37 4.538 -18.455 2.377 243 HD1 TRP 37 HD1 TRP 37 6.574 -21.420 3.793 244 HE1 TRP 37 HE1 TRP 37 5.386 -23.600 3.115 245 HE3 TRP 37 HE3 TRP 37 2.409 -19.427 1.598 246 HZ2 TRP 37 HZ2 TRP 37 3.000 -24.374 1.820 247 HZ3 TRP 37 HZ3 TRP 37 0.722 -20.956 0.664 248 HH2 TRP 37 HH2 TRP 37 1.013 -23.378 0.773 Start of MODEL 4 1 H1 LYS 1 HN LYS 1 -0.563 -2.406 -6.817 2 HA LYS 1 HA LYS 1 1.734 -0.803 -6.307 3 HB2 LYS 1 HB1 LYS 1 -0.603 -0.636 -5.243 4 HB3 LYS 1 HB2 LYS 1 -0.076 -1.940 -4.187 5 HG2 LYS 1 HG1 LYS 1 0.328 0.015 -2.977 6 HG3 LYS 1 HG2 LYS 1 1.908 -0.455 -3.607 7 HD2 LYS 1 HD1 LYS 1 1.908 1.779 -4.121 8 HD3 LYS 1 HD2 LYS 1 1.210 1.117 -5.601 9 HE2 LYS 1 HE1 LYS 1 -1.058 1.505 -4.522 10 HE3 LYS 1 HE2 LYS 1 -0.203 2.457 -3.309 11 HZ1 LYS 1 HZ1 LYS 1 -0.278 2.979 -6.230 12 HZ2 LYS 1 HZ2 LYS 1 0.659 3.851 -5.124 13 HZ3 LYS 1 HZ3 LYS 1 -1.029 3.895 -5.022 14 H TYR 2 HN TYR 2 3.690 -1.413 -5.670 15 HA TYR 2 HA TYR 2 4.072 -3.676 -3.921 16 HB2 TYR 2 HB1 TYR 2 4.889 -3.744 -6.807 17 HB3 TYR 2 HB2 TYR 2 5.845 -4.598 -5.601 18 HD1 TYR 2 HD2 TYR 2 3.945 -5.770 -3.810 19 HD2 TYR 2 HD1 TYR 2 3.652 -5.264 -8.025 20 HE1 TYR 2 HE2 TYR 2 2.394 -7.675 -3.925 21 HE2 TYR 2 HE1 TYR 2 2.099 -7.167 -8.151 22 HH TYR 2 HH TYR 2 1.748 -9.408 -5.877 23 H TYR 3 HN TYR 3 5.730 -3.298 -2.593 24 HA TYR 3 HA TYR 3 7.496 -2.259 -1.605 25 HB2 TYR 3 HB1 TYR 3 8.600 -3.352 -3.626 26 HB3 TYR 3 HB2 TYR 3 8.548 -1.767 -4.390 27 HD1 TYR 3 HD2 TYR 3 9.351 -2.773 -0.885 28 HD2 TYR 3 HD1 TYR 3 10.725 -0.982 -4.491 29 HE1 TYR 3 HE2 TYR 3 11.463 -2.175 0.224 30 HE2 TYR 3 HE1 TYR 3 12.842 -0.380 -3.393 31 HH TYR 3 HH TYR 3 13.781 -0.070 -1.249 32 H GLY 4 HN GLY 4 5.163 -0.669 -2.372 33 HA2 GLY 4 HA1 GLY 4 4.503 1.528 -2.292 34 HA3 GLY 4 HA2 GLY 4 6.108 1.883 -1.671 35 H ASN 5 HN ASN 5 5.214 0.536 -4.823 36 HA ASN 5 HA ASN 5 5.726 1.198 -6.940 37 HB2 ASN 5 HB1 ASN 5 4.072 3.021 -6.029 38 HB3 ASN 5 HB2 ASN 5 5.493 4.060 -6.084 39 HD21 ASN 5 HD21 ASN 5 3.189 4.474 -7.607 40 HD22 ASN 5 HD22 ASN 5 3.594 4.277 -9.276 41 H GLY 6 HN GLY 6 7.958 0.449 -6.334 42 HA2 GLY 6 HA1 GLY 6 10.013 2.192 -5.588 43 HA3 GLY 6 HA2 GLY 6 10.231 0.708 -6.503 44 H VAL 7 HN VAL 7 11.755 3.070 -6.856 45 HA VAL 7 HA VAL 7 10.793 4.494 -9.153 46 HB VAL 7 HB VAL 7 13.096 5.452 -9.227 47 HG11 VAL 7 HG11 VAL 7 12.764 6.123 -6.555 48 HG12 VAL 7 HG12 VAL 7 12.050 6.944 -7.945 49 HG13 VAL 7 HG13 VAL 7 11.145 5.686 -7.101 50 HG21 VAL 7 HG21 VAL 7 13.957 3.230 -8.061 51 HG22 VAL 7 HG22 VAL 7 14.802 4.767 -7.877 52 HG23 VAL 7 HG23 VAL 7 13.717 4.199 -6.607 53 H HIS 8 HN HIS 8 12.509 1.568 -8.626 54 HA HIS 8 HA HIS 8 13.844 1.464 -11.155 55 HB2 HIS 8 HB1 HIS 8 13.152 -0.885 -9.390 56 HB3 HIS 8 HB2 HIS 8 14.462 -0.766 -10.561 57 HD1 HIS 8 HD1 HIS 8 13.492 0.292 -7.103 58 HD2 HIS 8 HD2 HIS 8 16.766 0.516 -9.650 59 HE1 HIS 8 HE1 HIS 8 15.407 1.069 -5.670 60 H SER 9 HN SER 9 12.993 1.002 -13.067 61 HA SER 9 HA SER 9 10.231 0.255 -13.303 62 HB2 SER 9 HB1 SER 9 10.482 0.629 -15.630 63 HB3 SER 9 HB2 SER 9 11.527 1.823 -14.859 64 HG SER 9 HG SER 9 12.633 0.804 -16.540 65 H THR 10 HN THR 10 9.697 -1.488 -15.024 66 HA THR 10 HA THR 10 10.513 -3.988 -13.972 67 HB THR 10 HB THR 10 8.297 -3.710 -14.948 68 HG1 THR 10 HG1 THR 10 8.277 -5.684 -15.882 69 HG21 THR 10 HG21 THR 10 7.883 -3.261 -17.211 70 HG22 THR 10 HG22 THR 10 9.545 -3.620 -17.679 71 HG23 THR 10 HG23 THR 10 9.180 -2.145 -16.785 72 H LYS 11 HN LYS 11 11.845 -1.951 -16.364 73 HA LYS 11 HA LYS 11 13.016 -3.728 -18.146 74 HB2 LYS 11 HB1 LYS 11 12.995 -1.187 -18.244 75 HB3 LYS 11 HB2 LYS 11 14.358 -1.223 -17.134 76 HG2 LYS 11 HG1 LYS 11 15.707 -2.393 -18.734 77 HG3 LYS 11 HG2 LYS 11 14.330 -2.576 -19.823 78 HD2 LYS 11 HD1 LYS 11 14.220 -0.159 -20.113 79 HD3 LYS 11 HD2 LYS 11 15.559 0.051 -18.982 80 HE2 LYS 11 HE1 LYS 11 15.852 -1.648 -21.435 81 HE3 LYS 11 HE2 LYS 11 16.053 0.102 -21.513 82 HZ1 LYS 11 HZ1 LYS 11 17.817 -1.899 -20.439 83 HZ2 LYS 11 HZ2 LYS 11 17.579 -0.592 -19.392 84 HZ3 LYS 11 HZ3 LYS 11 18.157 -0.325 -20.959 85 H SER 12 HN SER 12 14.515 -2.322 -15.229 86 HA SER 12 HA SER 12 16.848 -3.881 -15.327 87 HB2 SER 12 HB1 SER 12 16.423 -1.773 -13.948 88 HB3 SER 12 HB2 SER 12 15.614 -2.822 -12.784 89 HG SER 12 HG SER 12 17.509 -3.321 -12.061 90 H GLY 13 HN GLY 13 13.649 -4.591 -14.220 91 HA2 GLY 13 HA1 GLY 13 13.544 -7.211 -14.228 92 HA3 GLY 13 HA2 GLY 13 14.554 -6.993 -12.806 93 H SER 14 HN SER 14 11.379 -7.047 -14.032 94 HA SER 14 HA SER 14 10.021 -5.517 -12.109 95 HB2 SER 14 HB1 SER 14 8.192 -7.429 -12.735 96 HB3 SER 14 HB2 SER 14 8.534 -6.026 -13.747 97 HG SER 14 HG SER 14 8.676 -8.415 -14.556 98 H SER 15 HN SER 15 10.156 -9.079 -12.270 99 HA SER 15 HA SER 15 9.296 -9.408 -9.587 100 HB2 SER 15 HB1 SER 15 9.312 -11.065 -11.669 101 HB3 SER 15 HB2 SER 15 10.840 -11.569 -10.948 102 HG SER 15 HG SER 15 8.255 -11.623 -9.801 103 H VAL 16 HN VAL 16 12.432 -9.172 -11.117 104 HA VAL 16 HA VAL 16 13.996 -10.149 -8.978 105 HB VAL 16 HB VAL 16 14.758 -8.150 -11.112 106 HG11 VAL 16 HG11 VAL 16 16.945 -9.734 -10.255 107 HG12 VAL 16 HG12 VAL 16 16.727 -7.989 -10.101 108 HG13 VAL 16 HG13 VAL 16 16.171 -9.066 -8.819 109 HG21 VAL 16 HG21 VAL 16 14.099 -10.092 -12.244 110 HG22 VAL 16 HG22 VAL 16 15.850 -10.244 -12.101 111 HG23 VAL 16 HG23 VAL 16 14.795 -11.151 -11.017 112 H ASN 17 HN ASN 17 12.684 -6.977 -9.726 113 HA ASN 17 HA ASN 17 14.157 -5.619 -7.675 114 HB2 ASN 17 HB1 ASN 17 13.338 -4.466 -9.709 115 HB3 ASN 17 HB2 ASN 17 11.682 -4.726 -9.169 116 HD21 ASN 17 HD21 ASN 17 14.738 -3.459 -7.878 117 HD22 ASN 17 HD22 ASN 17 14.036 -2.078 -7.114 118 H TRP 18 HN TRP 18 10.628 -5.952 -8.039 119 HA TRP 18 HA TRP 18 9.946 -5.364 -5.431 120 HB2 TRP 18 HB1 TRP 18 8.465 -7.391 -7.106 121 HB3 TRP 18 HB2 TRP 18 7.805 -6.308 -5.884 122 HD1 TRP 18 HD1 TRP 18 7.419 -6.622 -9.318 123 HE1 TRP 18 HE1 TRP 18 7.198 -4.379 -10.561 124 HE3 TRP 18 HE3 TRP 18 9.313 -3.514 -5.728 125 HZ2 TRP 18 HZ2 TRP 18 7.753 -1.653 -10.084 126 HZ3 TRP 18 HZ3 TRP 18 9.434 -1.102 -6.201 127 HH2 TRP 18 HH2 TRP 18 8.670 -0.193 -8.334 128 H GLY 19 HN GLY 19 10.690 -8.537 -6.843 129 HA2 GLY 19 HA1 GLY 19 10.113 -10.168 -4.685 130 HA3 GLY 19 HA2 GLY 19 11.385 -10.490 -5.854 131 H GLU 20 HN GLU 20 13.348 -8.863 -5.444 132 HA GLU 20 HA GLU 20 14.611 -9.714 -3.126 133 HB2 GLU 20 HB1 GLU 20 15.334 -8.247 -5.354 134 HB3 GLU 20 HB2 GLU 20 15.544 -7.101 -4.038 135 HG2 GLU 20 HG1 GLU 20 16.710 -9.361 -3.034 136 HG3 GLU 20 HG2 GLU 20 17.113 -9.451 -4.748 137 H ALA 21 HN ALA 21 12.904 -6.672 -3.753 138 HA ALA 21 HA ALA 21 13.451 -5.332 -1.392 139 HB1 ALA 21 HB1 ALA 21 11.556 -5.100 -3.542 140 HB2 ALA 21 HB2 ALA 21 10.790 -4.719 -1.998 141 HB3 ALA 21 HB3 ALA 21 12.236 -3.844 -2.505 142 H PHE 22 HN PHE 22 10.607 -7.379 -2.073 143 HA PHE 22 HA PHE 22 9.644 -7.318 0.589 144 HB2 PHE 22 HB1 PHE 22 9.082 -9.379 -1.553 145 HB3 PHE 22 HB2 PHE 22 8.112 -9.075 -0.116 146 HD1 PHE 22 HD1 PHE 22 7.981 -6.158 -0.057 147 HD2 PHE 22 HD2 PHE 22 7.729 -8.845 -3.348 148 HE1 PHE 22 HE1 PHE 22 6.654 -4.502 -1.303 149 HE2 PHE 22 HE2 PHE 22 6.403 -7.193 -4.600 150 HZ PHE 22 HZ PHE 22 5.865 -5.018 -3.578 151 H SER 23 HN SER 23 12.000 -9.259 -1.045 152 HA SER 23 HA SER 23 12.011 -11.520 0.619 153 HB2 SER 23 HB1 SER 23 13.260 -11.042 -1.634 154 HB3 SER 23 HB2 SER 23 14.547 -10.456 -0.581 155 HG SER 23 HG SER 23 13.517 -13.047 -0.871 156 H ALA 24 HN ALA 24 13.351 -8.329 1.019 157 HA ALA 24 HA ALA 24 15.218 -8.849 3.045 158 HB1 ALA 24 HB1 ALA 24 15.098 -6.487 3.551 159 HB2 ALA 24 HB2 ALA 24 15.075 -6.725 1.803 160 HB3 ALA 24 HB3 ALA 24 13.581 -6.345 2.661 161 H GLY 25 HN GLY 25 11.737 -8.441 3.132 162 HA2 GLY 25 HA1 GLY 25 11.629 -8.255 6.013 163 HA3 GLY 25 HA2 GLY 25 10.258 -8.377 4.920 164 H VAL 26 HN VAL 26 11.042 -10.754 3.583 165 HA VAL 26 HA VAL 26 9.886 -12.700 5.186 166 HB VAL 26 HB VAL 26 11.838 -13.185 2.932 167 HG11 VAL 26 HG11 VAL 26 10.590 -15.302 2.666 168 HG12 VAL 26 HG12 VAL 26 11.426 -15.189 4.216 169 HG13 VAL 26 HG13 VAL 26 9.684 -14.923 4.130 170 HG21 VAL 26 HG21 VAL 26 10.187 -11.802 2.013 171 HG22 VAL 26 HG22 VAL 26 9.656 -13.436 1.616 172 HG23 VAL 26 HG23 VAL 26 8.901 -12.564 2.949 173 H HIS 27 HN HIS 27 13.315 -11.992 4.643 174 HA HIS 27 HA HIS 27 14.401 -14.141 6.059 175 HB2 HIS 27 HB1 HIS 27 15.740 -12.677 4.617 176 HB3 HIS 27 HB2 HIS 27 15.508 -11.343 5.743 177 HD1 HIS 27 HD1 HIS 27 16.864 -11.402 7.946 178 HD2 HIS 27 HD2 HIS 27 17.644 -14.576 5.382 179 HE1 HIS 27 HE1 HIS 27 18.950 -12.488 8.836 180 H ARG 28 HN ARG 28 13.513 -10.889 7.174 181 HA ARG 28 HA ARG 28 14.373 -11.181 9.828 182 HB2 ARG 28 HB1 ARG 28 12.269 -9.440 8.556 183 HB3 ARG 28 HB2 ARG 28 12.631 -9.361 10.275 184 HG2 ARG 28 HG1 ARG 28 14.651 -8.923 8.087 185 HG3 ARG 28 HG2 ARG 28 13.785 -7.637 8.930 186 HD2 ARG 28 HD1 ARG 28 15.694 -9.637 10.129 187 HD3 ARG 28 HD2 ARG 28 15.959 -7.906 9.926 188 HE ARG 28 HE ARG 28 13.735 -8.020 11.465 189 HH11 ARG 28 HH11 ARG 28 16.897 -9.456 11.708 190 HH12 ARG 28 HH12 ARG 28 16.893 -9.487 13.440 191 HH21 ARG 28 HH21 ARG 28 13.718 -8.055 13.745 192 HH22 ARG 28 HH22 ARG 28 15.084 -8.690 14.598 193 H LEU 29 HN LEU 29 11.163 -11.687 8.380 194 HA LEU 29 HA LEU 29 9.887 -12.489 10.764 195 HB2 LEU 29 HB1 LEU 29 9.166 -13.307 7.957 196 HB3 LEU 29 HB2 LEU 29 8.102 -13.278 9.362 197 HG LEU 29 HG LEU 29 9.352 -10.724 8.470 198 HD11 LEU 29 HD11 LEU 29 7.434 -10.373 6.932 199 HD12 LEU 29 HD12 LEU 29 7.037 -12.082 7.102 200 HD13 LEU 29 HD13 LEU 29 8.573 -11.602 6.380 201 HD21 LEU 29 HD21 LEU 29 7.810 -11.199 10.527 202 HD22 LEU 29 HD22 LEU 29 6.522 -11.135 9.323 203 HD23 LEU 29 HD23 LEU 29 7.580 -9.743 9.559 204 H ALA 30 HN ALA 30 11.923 -14.162 8.516 205 HA ALA 30 HA ALA 30 11.176 -16.812 8.994 206 HB1 ALA 30 HB1 ALA 30 12.911 -15.725 7.329 207 HB2 ALA 30 HB2 ALA 30 14.052 -16.171 8.598 208 HB3 ALA 30 HB3 ALA 30 13.052 -17.409 7.837 209 H ASN 31 HN ASN 31 12.938 -14.563 10.954 210 HA ASN 31 HA ASN 31 14.033 -16.598 12.696 211 HB2 ASN 31 HB1 ASN 31 15.083 -14.301 12.142 212 HB3 ASN 31 HB2 ASN 31 13.940 -13.654 13.316 213 HD21 ASN 31 HD21 ASN 31 16.622 -15.863 12.860 214 HD22 ASN 31 HD22 ASN 31 17.130 -15.885 14.512 215 H GLY 32 HN GLY 32 11.214 -14.587 12.520 216 HA2 GLY 32 HA1 GLY 32 9.674 -15.995 14.301 217 HA3 GLY 32 HA2 GLY 32 10.495 -14.792 15.285 218 H GLY 33 HN GLY 33 8.377 -15.201 12.478 219 HA2 GLY 33 HA1 GLY 33 6.656 -13.102 13.292 220 HA3 GLY 33 HA2 GLY 33 7.732 -12.531 12.025 221 H ASN 34 HN ASN 34 6.596 -15.835 12.202 222 HA ASN 34 HA ASN 34 5.312 -17.089 10.805 223 HB2 ASN 34 HB1 ASN 34 3.660 -15.207 11.609 224 HB3 ASN 34 HB2 ASN 34 3.787 -14.660 9.939 225 HD21 ASN 34 HD21 ASN 34 2.809 -17.283 12.027 226 HD22 ASN 34 HD22 ASN 34 1.780 -18.067 10.883 227 H GLY 35 HN GLY 35 7.735 -15.883 9.798 228 HA2 GLY 35 HA1 GLY 35 7.494 -14.773 7.249 229 HA3 GLY 35 HA2 GLY 35 8.872 -15.707 7.813 230 H PHE 36 HN PHE 36 9.056 -17.866 7.265 231 HA PHE 36 HA PHE 36 7.300 -18.712 5.078 232 HB2 PHE 36 HB1 PHE 36 9.986 -18.641 5.128 233 HB3 PHE 36 HB2 PHE 36 9.737 -20.270 5.746 234 HD1 PHE 36 HD2 PHE 36 8.915 -18.023 2.916 235 HD2 PHE 36 HD1 PHE 36 9.249 -22.034 4.301 236 HE1 PHE 36 HE2 PHE 36 8.596 -18.840 0.617 237 HE2 PHE 36 HE1 PHE 36 8.931 -22.857 2.004 238 HZ PHE 36 HZ PHE 36 8.602 -21.259 0.159 239 H TRP 37 HN TRP 37 6.630 -18.899 7.964 240 HA TRP 37 HA TRP 37 5.760 -21.663 7.926 241 HB2 TRP 37 HB1 TRP 37 7.901 -20.692 9.687 242 HB3 TRP 37 HB2 TRP 37 6.597 -21.519 10.534 243 HD1 TRP 37 HD1 TRP 37 9.357 -22.142 7.950 244 HE1 TRP 37 HE1 TRP 37 9.729 -24.681 7.745 245 HE3 TRP 37 HE3 TRP 37 5.457 -23.769 10.829 246 HZ2 TRP 37 HZ2 TRP 37 8.528 -27.058 8.679 247 HZ3 TRP 37 HZ3 TRP 37 5.138 -26.191 11.122 248 HH2 TRP 37 HH2 TRP 37 6.642 -27.800 10.068 Start of MODEL 5 1 H1 LYS 1 HN LYS 1 0.078 -2.936 -5.586 2 HA LYS 1 HA LYS 1 2.647 -2.635 -6.865 3 HB2 LYS 1 HB1 LYS 1 1.170 -1.009 -4.796 4 HB3 LYS 1 HB2 LYS 1 2.785 -0.595 -5.357 5 HG2 LYS 1 HG1 LYS 1 1.559 0.707 -6.753 6 HG3 LYS 1 HG2 LYS 1 1.618 -0.767 -7.722 7 HD2 LYS 1 HD1 LYS 1 -0.568 -1.427 -6.706 8 HD3 LYS 1 HD2 LYS 1 -0.632 0.163 -5.943 9 HE2 LYS 1 HE1 LYS 1 -0.226 -0.080 -8.897 10 HE3 LYS 1 HE2 LYS 1 -1.843 -0.228 -8.210 11 HZ1 LYS 1 HZ1 LYS 1 -1.626 1.949 -7.243 12 HZ2 LYS 1 HZ2 LYS 1 -1.312 2.048 -8.902 13 HZ3 LYS 1 HZ3 LYS 1 -0.033 2.090 -7.795 14 H TYR 2 HN TYR 2 3.899 -4.355 -6.147 15 HA TYR 2 HA TYR 2 4.249 -4.845 -3.325 16 HB2 TYR 2 HB1 TYR 2 5.368 -6.045 -5.837 17 HB3 TYR 2 HB2 TYR 2 6.114 -6.398 -4.283 18 HD1 TYR 2 HD2 TYR 2 3.945 -6.732 -2.449 19 HD2 TYR 2 HD1 TYR 2 4.153 -7.875 -6.542 20 HE1 TYR 2 HE2 TYR 2 2.270 -8.485 -2.039 21 HE2 TYR 2 HE1 TYR 2 2.477 -9.631 -6.143 22 HH TYR 2 HH TYR 2 1.352 -10.397 -2.914 23 H TYR 3 HN TYR 3 5.674 -3.881 -2.045 24 HA TYR 3 HA TYR 3 7.321 -2.473 -1.337 25 HB2 TYR 3 HB1 TYR 3 8.588 -4.517 -2.176 26 HB3 TYR 3 HB2 TYR 3 8.939 -3.585 -3.628 27 HD1 TYR 3 HD2 TYR 3 9.177 -3.251 0.089 28 HD2 TYR 3 HD1 TYR 3 10.921 -2.407 -3.699 29 HE1 TYR 3 HE2 TYR 3 11.116 -2.240 1.214 30 HE2 TYR 3 HE1 TYR 3 12.866 -1.394 -2.584 31 HH TYR 3 HH TYR 3 12.933 -0.364 0.421 32 H GLY 4 HN GLY 4 5.466 -1.437 -3.344 33 HA2 GLY 4 HA1 GLY 4 5.238 0.693 -4.250 34 HA3 GLY 4 HA2 GLY 4 6.965 0.940 -4.035 35 H ASN 5 HN ASN 5 4.483 0.220 -6.233 36 HA ASN 5 HA ASN 5 6.134 -1.006 -8.242 37 HB2 ASN 5 HB1 ASN 5 3.746 -1.512 -8.144 38 HB3 ASN 5 HB2 ASN 5 3.357 0.184 -8.418 39 HD21 ASN 5 HD21 ASN 5 2.131 -0.546 -10.231 40 HD22 ASN 5 HD22 ASN 5 2.919 -0.902 -11.727 41 H GLY 6 HN GLY 6 7.774 0.250 -8.956 42 HA2 GLY 6 HA1 GLY 6 7.051 2.927 -9.982 43 HA3 GLY 6 HA2 GLY 6 8.610 2.567 -9.253 44 H VAL 7 HN VAL 7 8.048 3.646 -11.894 45 HA VAL 7 HA VAL 7 8.508 1.564 -13.814 46 HB VAL 7 HB VAL 7 8.783 3.371 -15.440 47 HG11 VAL 7 HG11 VAL 7 6.493 4.413 -13.921 48 HG12 VAL 7 HG12 VAL 7 6.569 3.757 -15.558 49 HG13 VAL 7 HG13 VAL 7 6.496 2.668 -14.172 50 HG21 VAL 7 HG21 VAL 7 10.004 4.932 -13.983 51 HG22 VAL 7 HG22 VAL 7 8.635 5.705 -14.783 52 HG23 VAL 7 HG23 VAL 7 8.517 5.239 -13.086 53 H HIS 8 HN HIS 8 10.483 3.552 -11.807 54 HA HIS 8 HA HIS 8 12.873 3.332 -13.379 55 HB2 HIS 8 HB1 HIS 8 13.988 4.379 -11.510 56 HB3 HIS 8 HB2 HIS 8 12.451 5.197 -11.779 57 HD1 HIS 8 HD1 HIS 8 10.463 4.378 -10.095 58 HD2 HIS 8 HD2 HIS 8 14.372 3.549 -8.955 59 HE1 HIS 8 HE1 HIS 8 10.357 3.900 -7.628 60 H SER 9 HN SER 9 11.348 1.490 -10.842 61 HA SER 9 HA SER 9 13.666 -0.086 -10.225 62 HB2 SER 9 HB1 SER 9 10.947 -1.112 -9.589 63 HB3 SER 9 HB2 SER 9 12.391 -1.043 -8.579 64 HG SER 9 HG SER 9 11.877 1.412 -8.874 65 H THR 10 HN THR 10 10.914 -0.356 -12.371 66 HA THR 10 HA THR 10 11.212 -3.099 -13.012 67 HB THR 10 HB THR 10 9.707 -2.718 -14.830 68 HG1 THR 10 HG1 THR 10 9.819 0.080 -14.510 69 HG21 THR 10 HG21 THR 10 8.012 -2.393 -13.420 70 HG22 THR 10 HG22 THR 10 8.407 -0.680 -13.284 71 HG23 THR 10 HG23 THR 10 9.169 -1.848 -12.206 72 H LYS 11 HN LYS 11 13.096 -0.403 -13.773 73 HA LYS 11 HA LYS 11 13.963 -0.878 -16.367 74 HB2 LYS 11 HB1 LYS 11 14.611 1.137 -15.246 75 HB3 LYS 11 HB2 LYS 11 15.433 0.237 -13.978 76 HG2 LYS 11 HG1 LYS 11 17.211 -0.342 -15.379 77 HG3 LYS 11 HG2 LYS 11 16.307 0.065 -16.840 78 HD2 LYS 11 HD1 LYS 11 16.693 2.305 -16.617 79 HD3 LYS 11 HD2 LYS 11 16.773 2.226 -14.856 80 HE2 LYS 11 HE1 LYS 11 18.962 2.727 -15.697 81 HE3 LYS 11 HE2 LYS 11 18.969 1.081 -15.067 82 HZ1 LYS 11 HZ1 LYS 11 18.290 1.173 -17.840 83 HZ2 LYS 11 HZ2 LYS 11 19.489 0.275 -17.056 84 HZ3 LYS 11 HZ3 LYS 11 19.806 1.863 -17.544 85 H SER 12 HN SER 12 15.911 -1.720 -13.506 86 HA SER 12 HA SER 12 17.452 -3.630 -14.936 87 HB2 SER 12 HB1 SER 12 17.245 -3.635 -11.941 88 HB3 SER 12 HB2 SER 12 18.654 -3.930 -12.959 89 HG SER 12 HG SER 12 18.652 -1.709 -13.479 90 H GLY 13 HN GLY 13 15.096 -4.049 -12.283 91 HA2 GLY 13 HA1 GLY 13 14.140 -6.497 -13.538 92 HA3 GLY 13 HA2 GLY 13 14.910 -6.689 -11.970 93 H SER 14 HN SER 14 12.012 -6.228 -13.525 94 HA SER 14 HA SER 14 10.651 -4.565 -11.667 95 HB2 SER 14 HB1 SER 14 9.776 -4.876 -13.915 96 HB3 SER 14 HB2 SER 14 9.587 -6.607 -13.634 97 HG SER 14 HG SER 14 7.611 -5.599 -13.321 98 H SER 15 HN SER 15 10.137 -8.044 -12.258 99 HA SER 15 HA SER 15 8.923 -8.430 -9.706 100 HB2 SER 15 HB1 SER 15 9.644 -10.154 -12.022 101 HB3 SER 15 HB2 SER 15 9.423 -10.949 -10.464 102 HG SER 15 HG SER 15 7.490 -10.730 -11.794 103 H VAL 16 HN VAL 16 12.158 -8.614 -10.919 104 HA VAL 16 HA VAL 16 13.234 -10.272 -8.865 105 HB VAL 16 HB VAL 16 14.728 -8.255 -10.543 106 HG11 VAL 16 HG11 VAL 16 16.433 -10.287 -10.189 107 HG12 VAL 16 HG12 VAL 16 16.320 -8.923 -9.075 108 HG13 VAL 16 HG13 VAL 16 15.497 -10.438 -8.703 109 HG21 VAL 16 HG21 VAL 16 13.446 -9.699 -12.007 110 HG22 VAL 16 HG22 VAL 16 15.155 -10.124 -12.094 111 HG23 VAL 16 HG23 VAL 16 14.044 -11.128 -11.163 112 H ASN 17 HN ASN 17 12.522 -6.886 -9.141 113 HA ASN 17 HA ASN 17 14.199 -6.052 -6.968 114 HB2 ASN 17 HB1 ASN 17 13.638 -4.444 -8.682 115 HB3 ASN 17 HB2 ASN 17 11.916 -4.677 -8.398 116 HD21 ASN 17 HD21 ASN 17 14.546 -2.777 -7.730 117 HD22 ASN 17 HD22 ASN 17 13.934 -1.936 -6.350 118 H TRP 18 HN TRP 18 10.746 -6.734 -7.375 119 HA TRP 18 HA TRP 18 9.951 -6.030 -4.768 120 HB2 TRP 18 HB1 TRP 18 8.616 -8.185 -6.393 121 HB3 TRP 18 HB2 TRP 18 7.883 -7.046 -5.267 122 HD1 TRP 18 HD1 TRP 18 7.379 -7.581 -8.586 123 HE1 TRP 18 HE1 TRP 18 7.189 -5.457 -10.028 124 HE3 TRP 18 HE3 TRP 18 9.579 -4.239 -5.403 125 HZ2 TRP 18 HZ2 TRP 18 7.880 -2.726 -9.840 126 HZ3 TRP 18 HZ3 TRP 18 9.776 -1.891 -6.110 127 HH2 TRP 18 HH2 TRP 18 8.944 -1.152 -8.284 128 H GLY 19 HN GLY 19 10.404 -9.303 -6.132 129 HA2 GLY 19 HA1 GLY 19 10.160 -10.746 -3.790 130 HA3 GLY 19 HA2 GLY 19 11.147 -11.245 -5.155 131 H GLU 20 HN GLU 20 13.005 -9.074 -5.039 132 HA GLU 20 HA GLU 20 14.811 -10.133 -3.113 133 HB2 GLU 20 HB1 GLU 20 14.884 -7.885 -5.083 134 HB3 GLU 20 HB2 GLU 20 16.116 -7.960 -3.831 135 HG2 GLU 20 HG1 GLU 20 16.630 -10.282 -4.581 136 HG3 GLU 20 HG2 GLU 20 15.526 -10.027 -5.932 137 H ALA 21 HN ALA 21 12.685 -7.354 -3.210 138 HA ALA 21 HA ALA 21 13.783 -5.979 -0.987 139 HB1 ALA 21 HB1 ALA 21 11.161 -5.207 -1.037 140 HB2 ALA 21 HB2 ALA 21 12.454 -4.489 -1.998 141 HB3 ALA 21 HB3 ALA 21 11.426 -5.739 -2.698 142 H PHE 22 HN PHE 22 10.774 -7.887 -1.236 143 HA PHE 22 HA PHE 22 10.213 -7.936 1.500 144 HB2 PHE 22 HB1 PHE 22 9.490 -10.000 -0.591 145 HB3 PHE 22 HB2 PHE 22 8.727 -9.827 0.986 146 HD1 PHE 22 HD1 PHE 22 8.485 -6.883 1.152 147 HD2 PHE 22 HD2 PHE 22 7.765 -9.553 -2.083 148 HE1 PHE 22 HE1 PHE 22 6.874 -5.287 0.198 149 HE2 PHE 22 HE2 PHE 22 6.153 -7.961 -3.043 150 HZ PHE 22 HZ PHE 22 5.706 -5.825 -1.903 151 H SER 23 HN SER 23 12.445 -9.784 -0.394 152 HA SER 23 HA SER 23 12.767 -12.039 1.225 153 HB2 SER 23 HB1 SER 23 13.740 -11.833 -1.033 154 HB3 SER 23 HB2 SER 23 14.871 -10.621 -0.430 155 HG SER 23 HG SER 23 15.880 -12.623 -0.440 156 H ALA 24 HN ALA 24 14.165 -8.816 1.449 157 HA ALA 24 HA ALA 24 16.130 -9.288 3.366 158 HB1 ALA 24 HB1 ALA 24 14.918 -7.026 2.148 159 HB2 ALA 24 HB2 ALA 24 14.979 -6.750 3.889 160 HB3 ALA 24 HB3 ALA 24 16.457 -7.125 3.004 161 H GLY 25 HN GLY 25 12.661 -8.845 3.715 162 HA2 GLY 25 HA1 GLY 25 12.793 -8.690 6.600 163 HA3 GLY 25 HA2 GLY 25 11.335 -8.741 5.621 164 H VAL 26 HN VAL 26 11.745 -11.092 4.207 165 HA VAL 26 HA VAL 26 10.798 -13.021 5.992 166 HB VAL 26 HB VAL 26 12.107 -13.462 3.304 167 HG11 VAL 26 HG11 VAL 26 11.858 -15.638 3.654 168 HG12 VAL 26 HG12 VAL 26 11.222 -15.319 5.269 169 HG13 VAL 26 HG13 VAL 26 10.126 -15.399 3.889 170 HG21 VAL 26 HG21 VAL 26 9.373 -12.662 4.153 171 HG22 VAL 26 HG22 VAL 26 10.311 -12.165 2.744 172 HG23 VAL 26 HG23 VAL 26 9.533 -13.747 2.772 173 H HIS 27 HN HIS 27 14.051 -12.495 4.694 174 HA HIS 27 HA HIS 27 15.241 -14.778 5.847 175 HB2 HIS 27 HB1 HIS 27 16.136 -13.158 4.015 176 HB3 HIS 27 HB2 HIS 27 16.760 -12.231 5.376 177 HD1 HIS 27 HD1 HIS 27 19.194 -12.691 5.398 178 HD2 HIS 27 HD2 HIS 27 16.963 -16.151 4.837 179 HE1 HIS 27 HE1 HIS 27 20.860 -14.576 5.416 180 H ARG 28 HN ARG 28 14.784 -11.481 7.015 181 HA ARG 28 HA ARG 28 16.361 -11.754 9.354 182 HB2 ARG 28 HB1 ARG 28 15.377 -9.625 8.156 183 HB3 ARG 28 HB2 ARG 28 14.023 -9.893 9.245 184 HG2 ARG 28 HG1 ARG 28 15.323 -8.417 10.437 185 HG3 ARG 28 HG2 ARG 28 15.845 -9.973 11.086 186 HD2 ARG 28 HD1 ARG 28 17.709 -9.924 9.393 187 HD3 ARG 28 HD2 ARG 28 17.246 -8.258 9.047 188 HE ARG 28 HE ARG 28 18.723 -9.197 11.304 189 HH11 ARG 28 HH11 ARG 28 16.492 -6.754 10.218 190 HH12 ARG 28 HH12 ARG 28 16.988 -5.590 11.401 191 HH21 ARG 28 HH21 ARG 28 19.384 -7.672 12.867 192 HH22 ARG 28 HH22 ARG 28 18.633 -6.113 12.907 193 H LEU 29 HN LEU 29 12.962 -12.332 8.639 194 HA LEU 29 HA LEU 29 12.143 -12.745 11.325 195 HB2 LEU 29 HB1 LEU 29 10.944 -13.661 8.717 196 HB3 LEU 29 HB2 LEU 29 10.162 -13.841 10.286 197 HG LEU 29 HG LEU 29 10.979 -11.119 9.373 198 HD11 LEU 29 HD11 LEU 29 8.592 -12.666 8.390 199 HD12 LEU 29 HD12 LEU 29 9.853 -11.891 7.431 200 HD13 LEU 29 HD13 LEU 29 8.705 -10.906 8.337 201 HD21 LEU 29 HD21 LEU 29 9.880 -11.972 11.652 202 HD22 LEU 29 HD22 LEU 29 8.410 -11.736 10.707 203 HD23 LEU 29 HD23 LEU 29 9.525 -10.392 10.953 204 H ALA 30 HN ALA 30 13.694 -14.738 8.956 205 HA ALA 30 HA ALA 30 13.035 -17.294 9.780 206 HB1 ALA 30 HB1 ALA 30 14.574 -16.443 7.852 207 HB2 ALA 30 HB2 ALA 30 15.859 -16.678 9.038 208 HB3 ALA 30 HB3 ALA 30 14.840 -18.036 8.561 209 H ASN 31 HN ASN 31 15.111 -14.945 11.305 210 HA ASN 31 HA ASN 31 16.253 -16.857 13.150 211 HB2 ASN 31 HB1 ASN 31 16.479 -13.870 12.828 212 HB3 ASN 31 HB2 ASN 31 17.163 -14.703 14.221 213 HD21 ASN 31 HD21 ASN 31 18.999 -15.889 13.992 214 HD22 ASN 31 HD22 ASN 31 19.922 -15.950 12.533 215 H GLY 32 HN GLY 32 13.602 -14.603 13.055 216 HA2 GLY 32 HA1 GLY 32 12.564 -15.695 15.525 217 HA3 GLY 32 HA2 GLY 32 13.011 -13.998 15.618 218 H GLY 33 HN GLY 33 10.924 -16.318 13.969 219 HA2 GLY 33 HA1 GLY 33 8.537 -15.251 14.063 220 HA3 GLY 33 HA2 GLY 33 9.279 -14.118 12.944 221 H ASN 34 HN ASN 34 7.074 -16.192 12.716 222 HA ASN 34 HA ASN 34 8.149 -18.029 10.742 223 HB2 ASN 34 HB1 ASN 34 5.394 -17.647 11.916 224 HB3 ASN 34 HB2 ASN 34 5.729 -18.795 10.624 225 HD21 ASN 34 HD21 ASN 34 6.664 -20.708 11.094 226 HD22 ASN 34 HD22 ASN 34 7.082 -21.217 12.692 227 H GLY 35 HN GLY 35 8.807 -16.193 9.335 228 HA2 GLY 35 HA1 GLY 35 6.689 -14.746 7.990 229 HA3 GLY 35 HA2 GLY 35 8.411 -14.625 7.661 230 H PHE 36 HN PHE 36 5.774 -17.010 7.395 231 HA PHE 36 HA PHE 36 7.016 -18.014 4.936 232 HB2 PHE 36 HB1 PHE 36 6.467 -19.676 6.669 233 HB3 PHE 36 HB2 PHE 36 4.777 -19.191 6.597 234 HD1 PHE 36 HD1 PHE 36 7.420 -20.138 4.132 235 HD2 PHE 36 HD2 PHE 36 3.426 -20.673 5.503 236 HE1 PHE 36 HE1 PHE 36 7.030 -21.783 2.345 237 HE2 PHE 36 HE2 PHE 36 3.030 -22.320 3.719 238 HZ PHE 36 HZ PHE 36 4.834 -22.878 2.137 239 H TRP 37 HN TRP 37 4.248 -16.311 6.132 240 HA TRP 37 HA TRP 37 2.752 -16.610 3.665 241 HB2 TRP 37 HB1 TRP 37 2.238 -15.468 6.353 242 HB3 TRP 37 HB2 TRP 37 1.377 -14.723 5.010 243 HD1 TRP 37 HD1 TRP 37 2.111 -18.499 5.402 244 HE1 TRP 37 HE1 TRP 37 -0.138 -19.748 5.451 245 HE3 TRP 37 HE3 TRP 37 -1.050 -14.481 5.358 246 HZ2 TRP 37 HZ2 TRP 37 -2.889 -19.114 5.469 247 HZ3 TRP 37 HZ3 TRP 37 -3.476 -14.889 5.392 248 HH2 TRP 37 HH2 TRP 37 -4.375 -17.158 5.446 Start of MODEL 6 1 H1 LYS 1 HN LYS 1 5.856 -2.833 -0.700 2 HA LYS 1 HA LYS 1 7.304 -5.245 0.181 3 HB2 LYS 1 HB1 LYS 1 4.759 -4.072 1.318 4 HB3 LYS 1 HB2 LYS 1 5.541 -5.547 1.871 5 HG2 LYS 1 HG1 LYS 1 7.476 -4.287 2.597 6 HG3 LYS 1 HG2 LYS 1 6.767 -2.798 1.969 7 HD2 LYS 1 HD1 LYS 1 4.940 -2.964 3.556 8 HD3 LYS 1 HD2 LYS 1 5.559 -4.511 4.142 9 HE2 LYS 1 HE1 LYS 1 7.345 -2.125 4.199 10 HE3 LYS 1 HE2 LYS 1 6.076 -2.267 5.415 11 HZ1 LYS 1 HZ1 LYS 1 7.361 -3.658 6.530 12 HZ2 LYS 1 HZ2 LYS 1 8.568 -3.541 5.352 13 HZ3 LYS 1 HZ3 LYS 1 7.375 -4.734 5.224 14 H TYR 2 HN TYR 2 6.136 -4.657 -2.458 15 HA TYR 2 HA TYR 2 4.688 -7.127 -2.771 16 HB2 TYR 2 HB1 TYR 2 2.847 -5.777 -4.080 17 HB3 TYR 2 HB2 TYR 2 2.716 -6.007 -2.340 18 HD1 TYR 2 HD2 TYR 2 3.230 -4.142 -0.802 19 HD2 TYR 2 HD1 TYR 2 3.195 -3.604 -5.023 20 HE1 TYR 2 HE2 TYR 2 3.109 -1.706 -0.484 21 HE2 TYR 2 HE1 TYR 2 3.075 -1.166 -4.717 22 HH TYR 2 HH TYR 2 2.119 0.373 -2.563 23 H TYR 3 HN TYR 3 3.841 -7.136 -5.226 24 HA TYR 3 HA TYR 3 6.227 -6.569 -6.801 25 HB2 TYR 3 HB1 TYR 3 5.023 -7.956 -8.543 26 HB3 TYR 3 HB2 TYR 3 5.427 -8.798 -7.051 27 HD1 TYR 3 HD1 TYR 3 2.691 -7.346 -9.036 28 HD2 TYR 3 HD2 TYR 3 3.709 -9.602 -5.575 29 HE1 TYR 3 HE1 TYR 3 0.334 -8.003 -8.778 30 HE2 TYR 3 HE2 TYR 3 1.356 -10.266 -5.309 31 HH TYR 3 HH TYR 3 -1.127 -8.787 -6.586 32 H GLY 4 HN GLY 4 4.686 -4.318 -6.047 33 HA2 GLY 4 HA1 GLY 4 3.780 -3.431 -8.711 34 HA3 GLY 4 HA2 GLY 4 2.847 -3.054 -7.271 35 H ASN 5 HN ASN 5 5.096 -2.527 -5.568 36 HA ASN 5 HA ASN 5 5.586 0.197 -6.359 37 HB2 ASN 5 HB1 ASN 5 5.153 -0.203 -4.034 38 HB3 ASN 5 HB2 ASN 5 6.426 -1.416 -3.946 39 HD21 ASN 5 HD21 ASN 5 7.943 -0.637 -2.668 40 HD22 ASN 5 HD22 ASN 5 8.643 0.939 -2.772 41 H GLY 6 HN GLY 6 6.996 0.393 -8.021 42 HA2 GLY 6 HA1 GLY 6 9.620 0.591 -7.880 43 HA3 GLY 6 HA2 GLY 6 9.476 -1.157 -7.989 44 H VAL 7 HN VAL 7 7.920 1.603 -9.630 45 HA VAL 7 HA VAL 7 7.813 0.226 -12.126 46 HB VAL 7 HB VAL 7 7.056 2.378 -13.060 47 HG11 VAL 7 HG11 VAL 7 5.517 2.275 -10.554 48 HG12 VAL 7 HG12 VAL 7 4.980 2.107 -12.227 49 HG13 VAL 7 HG13 VAL 7 5.707 0.734 -11.391 50 HG21 VAL 7 HG21 VAL 7 6.624 4.144 -11.140 51 HG22 VAL 7 HG22 VAL 7 8.046 3.373 -10.438 52 HG23 VAL 7 HG23 VAL 7 8.142 4.110 -12.037 53 H HIS 8 HN HIS 8 9.990 2.574 -10.682 54 HA HIS 8 HA HIS 8 11.480 2.963 -13.126 55 HB2 HIS 8 HB1 HIS 8 12.905 4.415 -11.812 56 HB3 HIS 8 HB2 HIS 8 11.221 4.771 -11.441 57 HD1 HIS 8 HD1 HIS 8 10.331 3.798 -9.112 58 HD2 HIS 8 HD2 HIS 8 14.449 3.732 -9.659 59 HE1 HIS 8 HE1 HIS 8 11.309 3.466 -6.819 60 H SER 9 HN SER 9 11.507 0.779 -10.489 61 HA SER 9 HA SER 9 14.261 0.075 -10.536 62 HB2 SER 9 HB1 SER 9 11.795 -1.305 -9.479 63 HB3 SER 9 HB2 SER 9 13.395 -2.038 -9.373 64 HG SER 9 HG SER 9 13.310 -0.932 -7.537 65 H THR 10 HN THR 10 11.638 -0.612 -12.603 66 HA THR 10 HA THR 10 12.296 -3.151 -13.572 67 HB THR 10 HB THR 10 10.183 -1.917 -14.091 68 HG1 THR 10 HG1 THR 10 9.970 -3.056 -15.918 69 HG21 THR 10 HG21 THR 10 10.089 -0.234 -15.733 70 HG22 THR 10 HG22 THR 10 11.741 -0.546 -16.267 71 HG23 THR 10 HG23 THR 10 11.448 0.218 -14.705 72 H LYS 11 HN LYS 11 13.791 -0.080 -14.079 73 HA LYS 11 HA LYS 11 15.035 -0.425 -16.537 74 HB2 LYS 11 HB1 LYS 11 15.013 1.625 -14.979 75 HB3 LYS 11 HB2 LYS 11 16.404 0.884 -14.197 76 HG2 LYS 11 HG1 LYS 11 16.444 1.238 -17.152 77 HG3 LYS 11 HG2 LYS 11 16.703 2.643 -16.115 78 HD2 LYS 11 HD1 LYS 11 18.539 1.480 -14.995 79 HD3 LYS 11 HD2 LYS 11 18.273 0.066 -16.017 80 HE2 LYS 11 HE1 LYS 11 20.112 1.323 -16.910 81 HE3 LYS 11 HE2 LYS 11 18.737 1.486 -18.002 82 HZ1 LYS 11 HZ1 LYS 11 19.078 3.514 -15.923 83 HZ2 LYS 11 HZ2 LYS 11 18.472 3.670 -17.494 84 HZ3 LYS 11 HZ3 LYS 11 20.140 3.554 -17.239 85 H SER 12 HN SER 12 16.524 -1.023 -13.347 86 HA SER 12 HA SER 12 18.736 -2.427 -14.442 87 HB2 SER 12 HB1 SER 12 18.915 -1.305 -12.286 88 HB3 SER 12 HB2 SER 12 17.666 -2.350 -11.610 89 HG SER 12 HG SER 12 19.136 -3.798 -11.259 90 H GLY 13 HN GLY 13 15.692 -3.445 -12.952 91 HA2 GLY 13 HA1 GLY 13 15.546 -5.846 -14.407 92 HA3 GLY 13 HA2 GLY 13 16.223 -6.198 -12.824 93 H SER 14 HN SER 14 13.392 -5.706 -14.609 94 HA SER 14 HA SER 14 11.624 -4.783 -12.629 95 HB2 SER 14 HB1 SER 14 11.312 -5.148 -15.224 96 HB3 SER 14 HB2 SER 14 10.694 -6.719 -14.715 97 HG SER 14 HG SER 14 9.744 -4.439 -13.407 98 H SER 15 HN SER 15 12.348 -8.101 -13.698 99 HA SER 15 HA SER 15 10.700 -9.344 -11.752 100 HB2 SER 15 HB1 SER 15 11.687 -10.299 -13.972 101 HB3 SER 15 HB2 SER 15 13.080 -10.711 -12.972 102 HG SER 15 HG SER 15 11.015 -12.173 -13.249 103 H VAL 16 HN VAL 16 14.095 -8.430 -11.840 104 HA VAL 16 HA VAL 16 14.827 -9.781 -9.440 105 HB VAL 16 HB VAL 16 16.204 -7.405 -10.693 106 HG11 VAL 16 HG11 VAL 16 18.145 -8.961 -9.627 107 HG12 VAL 16 HG12 VAL 16 17.392 -7.601 -8.791 108 HG13 VAL 16 HG13 VAL 16 16.830 -9.245 -8.488 109 HG21 VAL 16 HG21 VAL 16 17.551 -8.980 -11.940 110 HG22 VAL 16 HG22 VAL 16 16.679 -10.337 -11.226 111 HG23 VAL 16 HG23 VAL 16 15.846 -9.231 -12.319 112 H ASN 17 HN ASN 17 13.327 -6.747 -10.149 113 HA ASN 17 HA ASN 17 13.966 -5.418 -7.718 114 HB2 ASN 17 HB1 ASN 17 13.293 -4.030 -9.510 115 HB3 ASN 17 HB2 ASN 17 11.849 -4.990 -9.818 116 HD21 ASN 17 HD21 ASN 17 13.203 -3.593 -6.856 117 HD22 ASN 17 HD22 ASN 17 11.796 -2.680 -6.440 118 H TRP 18 HN TRP 18 10.935 -6.937 -8.832 119 HA TRP 18 HA TRP 18 9.479 -6.709 -6.500 120 HB2 TRP 18 HB1 TRP 18 9.360 -9.136 -8.290 121 HB3 TRP 18 HB2 TRP 18 8.057 -8.428 -7.339 122 HD1 TRP 18 HD1 TRP 18 8.662 -8.818 -10.736 123 HE1 TRP 18 HE1 TRP 18 7.872 -6.836 -12.177 124 HE3 TRP 18 HE3 TRP 18 8.242 -5.270 -7.079 125 HZ2 TRP 18 HZ2 TRP 18 7.165 -4.128 -11.812 126 HZ3 TRP 18 HZ3 TRP 18 7.504 -3.009 -7.708 127 HH2 TRP 18 HH2 TRP 18 6.977 -2.452 -10.026 128 H GLY 19 HN GLY 19 11.364 -9.574 -7.507 129 HA2 GLY 19 HA1 GLY 19 11.061 -11.088 -5.216 130 HA3 GLY 19 HA2 GLY 19 12.473 -11.152 -6.260 131 H GLU 20 HN GLU 20 13.478 -8.574 -5.859 132 HA GLU 20 HA GLU 20 14.996 -8.932 -3.532 133 HB2 GLU 20 HB1 GLU 20 14.602 -6.713 -5.479 134 HB3 GLU 20 HB2 GLU 20 15.378 -6.329 -3.949 135 HG2 GLU 20 HG1 GLU 20 17.046 -8.092 -4.390 136 HG3 GLU 20 HG2 GLU 20 16.294 -8.372 -5.960 137 H ALA 21 HN ALA 21 11.965 -7.309 -4.087 138 HA ALA 21 HA ALA 21 11.918 -5.754 -1.718 139 HB1 ALA 21 HB1 ALA 21 10.106 -4.928 -2.691 140 HB2 ALA 21 HB2 ALA 21 10.239 -6.157 -3.950 141 HB3 ALA 21 HB3 ALA 21 9.273 -6.473 -2.508 142 H PHE 22 HN PHE 22 10.159 -8.759 -2.517 143 HA PHE 22 HA PHE 22 9.220 -9.228 0.086 144 HB2 PHE 22 HB1 PHE 22 9.768 -11.290 -2.058 145 HB3 PHE 22 HB2 PHE 22 8.679 -11.468 -0.686 146 HD1 PHE 22 HD2 PHE 22 6.564 -10.224 -0.612 147 HD2 PHE 22 HD1 PHE 22 9.118 -10.099 -4.015 148 HE1 PHE 22 HE2 PHE 22 4.714 -9.329 -1.964 149 HE2 PHE 22 HE1 PHE 22 7.272 -9.202 -5.372 150 HZ PHE 22 HZ PHE 22 5.066 -8.818 -4.347 151 H SER 23 HN SER 23 12.214 -10.096 -1.513 152 HA SER 23 HA SER 23 13.176 -12.050 0.205 153 HB2 SER 23 HB1 SER 23 14.203 -11.179 -1.980 154 HB3 SER 23 HB2 SER 23 14.946 -9.921 -0.992 155 HG SER 23 HG SER 23 16.311 -11.333 -0.230 156 H ALA 24 HN ALA 24 12.960 -8.599 0.636 157 HA ALA 24 HA ALA 24 14.783 -8.196 2.695 158 HB1 ALA 24 HB1 ALA 24 12.982 -6.632 1.378 159 HB2 ALA 24 HB2 ALA 24 12.282 -6.705 2.996 160 HB3 ALA 24 HB3 ALA 24 13.933 -6.125 2.774 161 H GLY 25 HN GLY 25 11.440 -9.351 2.822 162 HA2 GLY 25 HA1 GLY 25 11.462 -9.499 5.713 163 HA3 GLY 25 HA2 GLY 25 10.160 -10.012 4.649 164 H VAL 26 HN VAL 26 11.843 -11.714 3.012 165 HA VAL 26 HA VAL 26 11.519 -14.145 4.307 166 HB VAL 26 HB VAL 26 13.488 -13.496 2.109 167 HG11 VAL 26 HG11 VAL 26 12.551 -16.061 3.317 168 HG12 VAL 26 HG12 VAL 26 12.980 -16.003 1.606 169 HG13 VAL 26 HG13 VAL 26 14.175 -15.576 2.831 170 HG21 VAL 26 HG21 VAL 26 10.584 -13.788 2.173 171 HG22 VAL 26 HG22 VAL 26 11.625 -13.078 0.938 172 HG23 VAL 26 HG23 VAL 26 11.370 -14.822 0.979 173 H HIS 27 HN HIS 27 14.165 -11.885 4.432 174 HA HIS 27 HA HIS 27 16.152 -13.610 5.449 175 HB2 HIS 27 HB1 HIS 27 16.495 -11.285 4.506 176 HB3 HIS 27 HB2 HIS 27 15.903 -10.659 6.042 177 HD1 HIS 27 HD1 HIS 27 18.682 -12.924 4.775 178 HD2 HIS 27 HD2 HIS 27 17.847 -10.312 7.896 179 HE1 HIS 27 HE1 HIS 27 20.815 -12.752 6.096 180 H ARG 28 HN ARG 28 13.550 -11.818 6.967 181 HA ARG 28 HA ARG 28 14.442 -12.121 9.643 182 HB2 ARG 28 HB1 ARG 28 11.795 -11.465 8.382 183 HB3 ARG 28 HB2 ARG 28 11.925 -11.717 10.117 184 HG2 ARG 28 HG1 ARG 28 13.077 -9.787 10.456 185 HG3 ARG 28 HG2 ARG 28 13.829 -9.826 8.860 186 HD2 ARG 28 HD1 ARG 28 12.158 -8.000 9.162 187 HD3 ARG 28 HD2 ARG 28 11.812 -9.084 7.815 188 HE ARG 28 HE ARG 28 10.471 -9.971 10.134 189 HH11 ARG 28 HH11 ARG 28 10.379 -7.452 7.732 190 HH12 ARG 28 HH12 ARG 28 8.671 -7.200 7.874 191 HH21 ARG 28 HH21 ARG 28 8.222 -9.648 10.330 192 HH22 ARG 28 HH22 ARG 28 7.445 -8.449 9.353 193 H LEU 29 HN LEU 29 11.871 -13.813 7.836 194 HA LEU 29 HA LEU 29 11.339 -15.732 9.813 195 HB2 LEU 29 HB1 LEU 29 9.974 -16.770 8.263 196 HB3 LEU 29 HB2 LEU 29 9.998 -15.096 7.711 197 HG LEU 29 HG LEU 29 11.978 -16.047 6.199 198 HD11 LEU 29 HD11 LEU 29 10.591 -18.404 7.226 199 HD12 LEU 29 HD12 LEU 29 12.167 -18.261 6.449 200 HD13 LEU 29 HD13 LEU 29 10.704 -18.347 5.467 201 HD21 LEU 29 HD21 LEU 29 9.081 -16.496 5.504 202 HD22 LEU 29 HD22 LEU 29 10.416 -16.168 4.398 203 HD23 LEU 29 HD23 LEU 29 9.860 -14.913 5.507 204 H ALA 30 HN ALA 30 13.840 -15.510 7.428 205 HA ALA 30 HA ALA 30 14.604 -18.161 7.133 206 HB1 ALA 30 HB1 ALA 30 16.770 -17.339 6.486 207 HB2 ALA 30 HB2 ALA 30 15.532 -16.253 5.855 208 HB3 ALA 30 HB3 ALA 30 16.464 -15.794 7.279 209 H ASN 31 HN ASN 31 15.147 -15.948 9.790 210 HA ASN 31 HA ASN 31 16.933 -17.822 11.127 211 HB2 ASN 31 HB1 ASN 31 15.957 -15.062 11.887 212 HB3 ASN 31 HB2 ASN 31 17.033 -16.033 12.887 213 HD21 ASN 31 HD21 ASN 31 19.157 -16.278 12.304 214 HD22 ASN 31 HD22 ASN 31 19.898 -15.361 11.041 215 H GLY 32 HN GLY 32 13.624 -16.780 11.183 216 HA2 GLY 32 HA1 GLY 32 13.143 -18.626 13.437 217 HA3 GLY 32 HA2 GLY 32 12.334 -17.068 13.342 218 H GLY 33 HN GLY 33 10.388 -17.016 12.421 219 HA2 GLY 33 HA1 GLY 33 9.701 -18.725 10.210 220 HA3 GLY 33 HA2 GLY 33 8.915 -19.196 11.710 221 H ASN 34 HN ASN 34 9.660 -15.878 10.845 222 HA ASN 34 HA ASN 34 6.888 -15.372 10.095 223 HB2 ASN 34 HB1 ASN 34 8.247 -14.199 12.514 224 HB3 ASN 34 HB2 ASN 34 6.911 -13.374 11.717 225 HD21 ASN 34 HD21 ASN 34 7.699 -15.434 14.143 226 HD22 ASN 34 HD22 ASN 34 6.175 -16.217 14.366 227 H GLY 35 HN GLY 35 7.252 -14.530 8.128 228 HA2 GLY 35 HA1 GLY 35 8.861 -12.081 7.996 229 HA3 GLY 35 HA2 GLY 35 9.244 -13.386 6.883 230 H PHE 36 HN PHE 36 5.942 -13.005 7.752 231 HA PHE 36 HA PHE 36 5.377 -12.024 5.047 232 HB2 PHE 36 HB1 PHE 36 3.916 -13.725 7.002 233 HB3 PHE 36 HB2 PHE 36 2.949 -12.711 5.935 234 HD1 PHE 36 HD2 PHE 36 2.938 -13.086 3.534 235 HD2 PHE 36 HD1 PHE 36 5.181 -15.583 6.152 236 HE1 PHE 36 HE2 PHE 36 3.167 -14.755 1.741 237 HE2 PHE 36 HE1 PHE 36 5.414 -17.255 4.362 238 HZ PHE 36 HZ PHE 36 4.405 -16.843 2.154 239 H TRP 37 HN TRP 37 5.080 -11.202 8.403 240 HA TRP 37 HA TRP 37 3.243 -9.014 7.901 241 HB2 TRP 37 HB1 TRP 37 4.405 -10.326 10.292 242 HB3 TRP 37 HB2 TRP 37 4.025 -8.613 10.451 243 HD1 TRP 37 HD1 TRP 37 1.879 -11.079 8.417 244 HE1 TRP 37 HE1 TRP 37 -0.453 -11.203 9.500 245 HE3 TRP 37 HE3 TRP 37 2.761 -8.235 12.573 246 HZ2 TRP 37 HZ2 TRP 37 -1.747 -10.225 11.810 247 HZ3 TRP 37 HZ3 TRP 37 0.923 -7.877 14.169 248 HH2 TRP 37 HH2 TRP 37 -1.284 -8.852 13.793 Start of MODEL 7 1 H1 LYS 1 HN LYS 1 7.003 -3.396 -0.908 2 HA LYS 1 HA LYS 1 6.417 -5.690 0.803 3 HB2 LYS 1 HB1 LYS 1 5.170 -3.035 0.320 4 HB3 LYS 1 HB2 LYS 1 4.099 -4.350 0.783 5 HG2 LYS 1 HG1 LYS 1 4.598 -3.582 2.848 6 HG3 LYS 1 HG2 LYS 1 5.963 -4.683 2.650 7 HD2 LYS 1 HD1 LYS 1 7.039 -2.773 3.343 8 HD3 LYS 1 HD2 LYS 1 7.111 -2.579 1.590 9 HE2 LYS 1 HE1 LYS 1 4.778 -1.467 3.077 10 HE3 LYS 1 HE2 LYS 1 6.318 -0.611 3.141 11 HZ1 LYS 1 HZ1 LYS 1 5.636 0.324 1.251 12 HZ2 LYS 1 HZ2 LYS 1 4.436 -0.835 0.979 13 HZ3 LYS 1 HZ3 LYS 1 6.030 -1.143 0.507 14 H TYR 2 HN TYR 2 6.065 -4.685 -2.425 15 HA TYR 2 HA TYR 2 4.722 -7.110 -3.137 16 HB2 TYR 2 HB1 TYR 2 2.882 -5.695 -4.375 17 HB3 TYR 2 HB2 TYR 2 2.669 -6.153 -2.689 18 HD1 TYR 2 HD2 TYR 2 2.993 -4.478 -0.900 19 HD2 TYR 2 HD1 TYR 2 3.155 -3.405 -5.015 20 HE1 TYR 2 HE2 TYR 2 2.716 -2.112 -0.288 21 HE2 TYR 2 HE1 TYR 2 2.880 -1.036 -4.414 22 HH TYR 2 HH TYR 2 3.389 0.184 -1.467 23 H TYR 3 HN TYR 3 4.028 -6.853 -5.619 24 HA TYR 3 HA TYR 3 6.458 -5.952 -6.954 25 HB2 TYR 3 HB1 TYR 3 5.448 -7.170 -8.929 26 HB3 TYR 3 HB2 TYR 3 5.819 -8.172 -7.531 27 HD1 TYR 3 HD2 TYR 3 3.114 -6.637 -9.495 28 HD2 TYR 3 HD1 TYR 3 4.075 -9.256 -6.283 29 HE1 TYR 3 HE2 TYR 3 0.794 -7.454 -9.475 30 HE2 TYR 3 HE1 TYR 3 1.758 -10.081 -6.255 31 HH TYR 3 HH TYR 3 -0.754 -8.569 -8.115 32 H GLY 4 HN GLY 4 4.738 -3.907 -6.026 33 HA2 GLY 4 HA1 GLY 4 3.909 -2.747 -8.611 34 HA3 GLY 4 HA2 GLY 4 2.899 -2.591 -7.182 35 H ASN 5 HN ASN 5 5.062 -2.170 -5.333 36 HA ASN 5 HA ASN 5 5.422 0.653 -5.761 37 HB2 ASN 5 HB1 ASN 5 6.563 0.574 -3.541 38 HB3 ASN 5 HB2 ASN 5 4.940 -0.108 -3.520 39 HD21 ASN 5 HD21 ASN 5 8.060 -0.563 -2.563 40 HD22 ASN 5 HD22 ASN 5 8.022 -2.266 -2.273 41 H GLY 6 HN GLY 6 6.858 1.111 -7.353 42 HA2 GLY 6 HA1 GLY 6 9.650 0.563 -6.796 43 HA3 GLY 6 HA2 GLY 6 9.037 -0.174 -8.269 44 H VAL 7 HN VAL 7 10.142 2.708 -6.773 45 HA VAL 7 HA VAL 7 9.202 4.521 -8.786 46 HB VAL 7 HB VAL 7 11.380 4.890 -6.724 47 HG11 VAL 7 HG11 VAL 7 11.732 6.502 -8.416 48 HG12 VAL 7 HG12 VAL 7 10.004 6.819 -8.578 49 HG13 VAL 7 HG13 VAL 7 10.864 7.334 -7.126 50 HG21 VAL 7 HG21 VAL 7 9.612 4.766 -5.334 51 HG22 VAL 7 HG22 VAL 7 9.303 6.410 -5.892 52 HG23 VAL 7 HG23 VAL 7 8.443 5.055 -6.623 53 H HIS 8 HN HIS 8 11.964 2.473 -8.379 54 HA HIS 8 HA HIS 8 13.649 3.826 -10.259 55 HB2 HIS 8 HB1 HIS 8 13.856 0.954 -9.342 56 HB3 HIS 8 HB2 HIS 8 15.139 1.954 -10.017 57 HD1 HIS 8 HD1 HIS 8 13.512 1.043 -6.856 58 HD2 HIS 8 HD2 HIS 8 16.048 4.033 -8.231 59 HE1 HIS 8 HE1 HIS 8 14.469 2.114 -4.792 60 H SER 9 HN SER 9 14.542 2.472 -12.165 61 HA SER 9 HA SER 9 12.359 2.024 -13.953 62 HB2 SER 9 HB1 SER 9 15.198 1.252 -14.570 63 HB3 SER 9 HB2 SER 9 13.963 1.892 -15.653 64 HG SER 9 HG SER 9 15.827 3.233 -14.348 65 H THR 10 HN THR 10 11.172 0.238 -13.858 66 HA THR 10 HA THR 10 12.046 -2.206 -12.727 67 HB THR 10 HB THR 10 9.942 -3.132 -13.392 68 HG1 THR 10 HG1 THR 10 9.669 -2.546 -15.489 69 HG21 THR 10 HG21 THR 10 8.353 -1.404 -12.600 70 HG22 THR 10 HG22 THR 10 9.636 -0.201 -12.728 71 HG23 THR 10 HG23 THR 10 9.785 -1.532 -11.581 72 H LYS 11 HN LYS 11 12.163 -0.895 -15.936 73 HA LYS 11 HA LYS 11 12.362 -3.223 -17.460 74 HB2 LYS 11 HB1 LYS 11 13.332 -1.869 -19.170 75 HB3 LYS 11 HB2 LYS 11 12.152 -0.873 -18.328 76 HG2 LYS 11 HG1 LYS 11 13.785 0.647 -18.270 77 HG3 LYS 11 HG2 LYS 11 14.421 -0.317 -16.935 78 HD2 LYS 11 HD1 LYS 11 16.292 -0.485 -18.146 79 HD3 LYS 11 HD2 LYS 11 15.392 -1.613 -19.164 80 HE2 LYS 11 HE1 LYS 11 15.252 1.339 -19.651 81 HE3 LYS 11 HE2 LYS 11 16.604 0.390 -20.266 82 HZ1 LYS 11 HZ1 LYS 11 15.071 0.397 -21.993 83 HZ2 LYS 11 HZ2 LYS 11 13.743 0.184 -20.967 84 HZ3 LYS 11 HZ3 LYS 11 14.805 -1.101 -21.253 85 H SER 12 HN SER 12 14.656 -1.690 -15.351 86 HA SER 12 HA SER 12 17.023 -2.847 -16.343 87 HB2 SER 12 HB1 SER 12 18.040 -2.182 -14.279 88 HB3 SER 12 HB2 SER 12 16.853 -0.942 -14.686 89 HG SER 12 HG SER 12 16.412 -1.374 -12.615 90 H GLY 13 HN GLY 13 14.493 -4.065 -14.274 91 HA2 GLY 13 HA1 GLY 13 14.930 -6.731 -14.665 92 HA3 GLY 13 HA2 GLY 13 15.991 -6.327 -13.324 93 H SER 14 HN SER 14 12.810 -7.073 -14.281 94 HA SER 14 HA SER 14 11.397 -5.980 -12.077 95 HB2 SER 14 HB1 SER 14 9.880 -6.511 -13.695 96 HB3 SER 14 HB2 SER 14 10.817 -7.890 -14.268 97 HG SER 14 HG SER 14 8.692 -7.930 -12.721 98 H SER 15 HN SER 15 13.043 -9.030 -12.643 99 HA SER 15 HA SER 15 12.054 -10.373 -10.348 100 HB2 SER 15 HB1 SER 15 13.182 -11.404 -12.404 101 HB3 SER 15 HB2 SER 15 14.711 -10.931 -11.663 102 HG SER 15 HG SER 15 14.510 -12.786 -10.684 103 H VAL 16 HN VAL 16 15.064 -8.599 -10.989 104 HA VAL 16 HA VAL 16 16.104 -8.951 -8.359 105 HB VAL 16 HB VAL 16 17.497 -8.453 -10.381 106 HG11 VAL 16 HG11 VAL 16 17.728 -6.125 -11.090 107 HG12 VAL 16 HG12 VAL 16 16.086 -6.714 -11.354 108 HG13 VAL 16 HG13 VAL 16 16.436 -5.657 -9.986 109 HG21 VAL 16 HG21 VAL 16 17.700 -7.032 -7.785 110 HG22 VAL 16 HG22 VAL 16 18.776 -8.226 -8.510 111 HG23 VAL 16 HG23 VAL 16 18.813 -6.553 -9.066 112 H ASN 17 HN ASN 17 14.079 -6.555 -9.903 113 HA ASN 17 HA ASN 17 14.325 -4.569 -7.877 114 HB2 ASN 17 HB1 ASN 17 12.427 -5.029 -10.159 115 HB3 ASN 17 HB2 ASN 17 12.096 -3.773 -8.969 116 HD21 ASN 17 HD21 ASN 17 12.336 -2.123 -10.451 117 HD22 ASN 17 HD22 ASN 17 13.874 -1.665 -11.090 118 H TRP 18 HN TRP 18 11.350 -6.307 -8.761 119 HA TRP 18 HA TRP 18 10.070 -5.897 -6.315 120 HB2 TRP 18 HB1 TRP 18 9.559 -8.281 -8.089 121 HB3 TRP 18 HB2 TRP 18 8.413 -7.418 -7.067 122 HD1 TRP 18 HD1 TRP 18 8.702 -7.901 -10.480 123 HE1 TRP 18 HE1 TRP 18 8.077 -5.845 -11.897 124 HE3 TRP 18 HE3 TRP 18 9.048 -4.294 -6.874 125 HZ2 TRP 18 HZ2 TRP 18 7.771 -3.062 -11.534 126 HZ3 TRP 18 HZ3 TRP 18 8.574 -1.959 -7.491 127 HH2 TRP 18 HH2 TRP 18 7.949 -1.358 -9.774 128 H GLY 19 HN GLY 19 12.110 -8.560 -7.424 129 HA2 GLY 19 HA1 GLY 19 11.692 -10.407 -5.411 130 HA3 GLY 19 HA2 GLY 19 13.224 -10.185 -6.243 131 H GLU 20 HN GLU 20 14.085 -7.767 -5.416 132 HA GLU 20 HA GLU 20 15.226 -8.265 -2.940 133 HB2 GLU 20 HB1 GLU 20 15.514 -6.338 -4.875 134 HB3 GLU 20 HB2 GLU 20 14.863 -5.414 -3.528 135 HG2 GLU 20 HG1 GLU 20 17.041 -7.253 -2.833 136 HG3 GLU 20 HG2 GLU 20 17.486 -5.932 -3.912 137 H ALA 21 HN ALA 21 12.172 -6.789 -3.732 138 HA ALA 21 HA ALA 21 11.670 -5.566 -1.225 139 HB1 ALA 21 HB1 ALA 21 9.507 -6.572 -3.040 140 HB2 ALA 21 HB2 ALA 21 9.517 -5.140 -2.009 141 HB3 ALA 21 HB3 ALA 21 10.494 -5.178 -3.477 142 H PHE 22 HN PHE 22 10.301 -8.554 -2.624 143 HA PHE 22 HA PHE 22 9.101 -9.414 -0.221 144 HB2 PHE 22 HB1 PHE 22 9.958 -11.102 -2.581 145 HB3 PHE 22 HB2 PHE 22 8.779 -11.550 -1.352 146 HD1 PHE 22 HD1 PHE 22 6.601 -10.388 -1.252 147 HD2 PHE 22 HD2 PHE 22 9.373 -9.717 -4.411 148 HE1 PHE 22 HE1 PHE 22 4.806 -9.394 -2.610 149 HE2 PHE 22 HE2 PHE 22 7.583 -8.721 -5.774 150 HZ PHE 22 HZ PHE 22 5.296 -8.558 -4.874 151 H SER 23 HN SER 23 12.307 -9.769 -1.519 152 HA SER 23 HA SER 23 13.199 -11.962 -0.023 153 HB2 SER 23 HB1 SER 23 14.399 -10.832 -1.950 154 HB3 SER 23 HB2 SER 23 14.902 -9.591 -0.803 155 HG SER 23 HG SER 23 16.407 -11.384 -1.140 156 H ALA 24 HN ALA 24 13.233 -8.495 0.717 157 HA ALA 24 HA ALA 24 14.609 -8.624 3.147 158 HB1 ALA 24 HB1 ALA 24 14.067 -6.552 1.850 159 HB2 ALA 24 HB2 ALA 24 12.424 -6.660 2.484 160 HB3 ALA 24 HB3 ALA 24 13.781 -6.433 3.587 161 H GLY 25 HN GLY 25 11.350 -9.476 2.336 162 HA2 GLY 25 HA1 GLY 25 10.446 -9.451 5.098 163 HA3 GLY 25 HA2 GLY 25 9.504 -9.931 3.694 164 H VAL 26 HN VAL 26 11.304 -11.845 2.640 165 HA VAL 26 HA VAL 26 10.533 -14.126 4.106 166 HB VAL 26 HB VAL 26 12.713 -13.928 2.023 167 HG11 VAL 26 HG11 VAL 26 12.260 -16.306 1.656 168 HG12 VAL 26 HG12 VAL 26 12.796 -15.998 3.309 169 HG13 VAL 26 HG13 VAL 26 11.088 -16.286 2.973 170 HG21 VAL 26 HG21 VAL 26 10.282 -15.042 1.034 171 HG22 VAL 26 HG22 VAL 26 9.932 -13.480 1.775 172 HG23 VAL 26 HG23 VAL 26 11.137 -13.597 0.493 173 H HIS 27 HN HIS 27 13.635 -12.429 3.835 174 HA HIS 27 HA HIS 27 15.203 -14.178 5.330 175 HB2 HIS 27 HB1 HIS 27 15.763 -11.950 3.997 176 HB3 HIS 27 HB2 HIS 27 15.660 -11.242 5.606 177 HD1 HIS 27 HD1 HIS 27 17.887 -11.069 6.639 178 HD2 HIS 27 HD2 HIS 27 17.577 -14.438 4.227 179 HE1 HIS 27 HE1 HIS 27 20.122 -12.212 6.790 180 H ARG 28 HN ARG 28 12.761 -11.952 6.334 181 HA ARG 28 HA ARG 28 13.544 -11.557 9.009 182 HB2 ARG 28 HB1 ARG 28 11.615 -10.496 7.507 183 HB3 ARG 28 HB2 ARG 28 10.648 -11.708 8.336 184 HG2 ARG 28 HG1 ARG 28 10.429 -9.774 9.627 185 HG3 ARG 28 HG2 ARG 28 11.605 -10.763 10.495 186 HD2 ARG 28 HD1 ARG 28 13.297 -9.384 8.979 187 HD3 ARG 28 HD2 ARG 28 11.976 -8.217 9.015 188 HE ARG 28 HE ARG 28 13.756 -8.858 11.150 189 HH11 ARG 28 HH11 ARG 28 10.512 -7.832 10.413 190 HH12 ARG 28 HH12 ARG 28 10.280 -7.031 11.931 191 HH21 ARG 28 HH21 ARG 28 13.463 -7.806 13.153 192 HH22 ARG 28 HH22 ARG 28 11.960 -7.016 13.489 193 H LEU 29 HN LEU 29 11.365 -13.950 7.540 194 HA LEU 29 HA LEU 29 10.659 -15.269 9.914 195 HB2 LEU 29 HB1 LEU 29 9.681 -16.885 8.581 196 HB3 LEU 29 HB2 LEU 29 9.654 -15.453 7.555 197 HG LEU 29 HG LEU 29 12.000 -16.620 6.803 198 HD11 LEU 29 HD11 LEU 29 11.977 -18.874 6.900 199 HD12 LEU 29 HD12 LEU 29 10.220 -18.972 6.790 200 HD13 LEU 29 HD13 LEU 29 10.985 -18.577 8.329 201 HD21 LEU 29 HD21 LEU 29 9.229 -17.033 5.688 202 HD22 LEU 29 HD22 LEU 29 10.724 -17.400 4.826 203 HD23 LEU 29 HD23 LEU 29 10.355 -15.736 5.285 204 H ALA 30 HN ALA 30 13.520 -15.395 7.977 205 HA ALA 30 HA ALA 30 14.554 -17.892 8.574 206 HB1 ALA 30 HB1 ALA 30 16.560 -17.122 7.782 207 HB2 ALA 30 HB2 ALA 30 15.469 -15.908 7.112 208 HB3 ALA 30 HB3 ALA 30 16.395 -15.553 8.570 209 H ASN 31 HN ASN 31 14.938 -14.869 10.416 210 HA ASN 31 HA ASN 31 16.165 -16.344 12.611 211 HB2 ASN 31 HB1 ASN 31 17.091 -14.145 11.851 212 HB3 ASN 31 HB2 ASN 31 15.607 -13.378 12.407 213 HD21 ASN 31 HD21 ASN 31 18.443 -15.173 13.410 214 HD22 ASN 31 HD22 ASN 31 18.426 -14.648 15.056 215 H GLY 32 HN GLY 32 13.165 -14.790 11.755 216 HA2 GLY 32 HA1 GLY 32 11.247 -15.842 13.018 217 HA3 GLY 32 HA2 GLY 32 12.129 -15.363 14.461 218 H GLY 33 HN GLY 33 10.205 -14.260 11.764 219 HA2 GLY 33 HA1 GLY 33 9.501 -11.879 13.288 220 HA3 GLY 33 HA2 GLY 33 10.261 -11.599 11.728 221 H ASN 34 HN ASN 34 8.311 -14.406 11.972 222 HA ASN 34 HA ASN 34 6.333 -15.004 11.023 223 HB2 ASN 34 HB1 ASN 34 5.365 -12.172 11.263 224 HB3 ASN 34 HB2 ASN 34 4.463 -13.672 11.460 225 HD21 ASN 34 HD21 ASN 34 5.129 -11.181 13.151 226 HD22 ASN 34 HD22 ASN 34 5.536 -11.855 14.689 227 H GLY 35 HN GLY 35 8.264 -14.573 9.203 228 HA2 GLY 35 HA1 GLY 35 7.012 -12.944 7.088 229 HA3 GLY 35 HA2 GLY 35 8.713 -13.379 7.148 230 H PHE 36 HN PHE 36 6.224 -15.710 7.859 231 HA PHE 36 HA PHE 36 6.971 -17.157 5.415 232 HB2 PHE 36 HB1 PHE 36 7.273 -18.214 7.720 233 HB3 PHE 36 HB2 PHE 36 5.517 -18.310 7.792 234 HD1 PHE 36 HD1 PHE 36 7.881 -18.916 4.980 235 HD2 PHE 36 HD2 PHE 36 4.954 -20.538 7.610 236 HE1 PHE 36 HE1 PHE 36 7.953 -21.042 3.743 237 HE2 PHE 36 HE2 PHE 36 5.021 -22.666 6.378 238 HZ PHE 36 HZ PHE 36 6.523 -22.921 4.442 239 H TRP 37 HN TRP 37 4.445 -15.410 6.843 240 HA TRP 37 HA TRP 37 2.299 -16.766 5.458 241 HB2 TRP 37 HB1 TRP 37 0.835 -15.251 6.532 242 HB3 TRP 37 HB2 TRP 37 2.097 -15.589 7.714 243 HD1 TRP 37 HD1 TRP 37 4.267 -13.520 6.463 244 HE1 TRP 37 HE1 TRP 37 3.912 -11.002 6.864 245 HE3 TRP 37 HE3 TRP 37 -0.735 -13.563 7.522 246 HZ2 TRP 37 HZ2 TRP 37 1.793 -9.264 7.540 247 HZ3 TRP 37 HZ3 TRP 37 -1.850 -11.431 8.035 248 HH2 TRP 37 HH2 TRP 37 -0.610 -9.327 8.045 Start of MODEL 8 1 H1 LYS 1 HN LYS 1 5.529 -1.922 -1.813 2 HA LYS 1 HA LYS 1 8.058 -3.136 -2.480 3 HB2 LYS 1 HB1 LYS 1 7.403 -2.546 -0.145 4 HB3 LYS 1 HB2 LYS 1 6.171 -3.799 -0.213 5 HG2 LYS 1 HG1 LYS 1 7.914 -5.486 -0.555 6 HG3 LYS 1 HG2 LYS 1 9.143 -4.222 -0.454 7 HD2 LYS 1 HD1 LYS 1 7.186 -4.450 1.773 8 HD3 LYS 1 HD2 LYS 1 8.449 -5.677 1.652 9 HE2 LYS 1 HE1 LYS 1 10.160 -4.104 1.914 10 HE3 LYS 1 HE2 LYS 1 9.099 -2.751 1.526 11 HZ1 LYS 1 HZ1 LYS 1 8.875 -4.421 3.971 12 HZ2 LYS 1 HZ2 LYS 1 7.967 -3.041 3.608 13 HZ3 LYS 1 HZ3 LYS 1 9.627 -2.907 3.906 14 H TYR 2 HN TYR 2 4.781 -3.811 -3.081 15 HA TYR 2 HA TYR 2 5.073 -6.676 -3.273 16 HB2 TYR 2 HB1 TYR 2 2.803 -5.033 -4.387 17 HB3 TYR 2 HB2 TYR 2 2.780 -6.722 -3.890 18 HD1 TYR 2 HD2 TYR 2 3.689 -6.934 -1.285 19 HD2 TYR 2 HD1 TYR 2 1.614 -3.639 -3.001 20 HE1 TYR 2 HE2 TYR 2 2.906 -6.271 0.950 21 HE2 TYR 2 HE1 TYR 2 0.827 -2.966 -0.770 22 HH TYR 2 HH TYR 2 1.848 -4.711 2.142 23 H TYR 3 HN TYR 3 3.753 -7.342 -5.561 24 HA TYR 3 HA TYR 3 5.802 -6.898 -7.545 25 HB2 TYR 3 HB1 TYR 3 4.687 -8.597 -8.832 26 HB3 TYR 3 HB2 TYR 3 4.737 -9.129 -7.155 27 HD1 TYR 3 HD1 TYR 3 2.695 -9.221 -5.817 28 HD2 TYR 3 HD2 TYR 3 2.592 -8.045 -9.905 29 HE1 TYR 3 HE1 TYR 3 0.258 -9.552 -5.845 30 HE2 TYR 3 HE2 TYR 3 0.155 -8.371 -9.944 31 HH TYR 3 HH TYR 3 -1.705 -8.529 -8.511 32 H GLY 4 HN GLY 4 5.716 -5.566 -9.250 33 HA2 GLY 4 HA1 GLY 4 4.590 -4.448 -11.028 34 HA3 GLY 4 HA2 GLY 4 3.119 -4.465 -10.066 35 H ASN 5 HN ASN 5 4.745 -3.565 -7.683 36 HA ASN 5 HA ASN 5 4.490 -0.727 -8.233 37 HB2 ASN 5 HB1 ASN 5 3.576 -1.739 -6.145 38 HB3 ASN 5 HB2 ASN 5 5.223 -2.110 -5.644 39 HD21 ASN 5 HD21 ASN 5 3.100 0.551 -6.574 40 HD22 ASN 5 HD22 ASN 5 3.864 1.742 -5.582 41 H GLY 6 HN GLY 6 6.284 -0.451 -9.647 42 HA2 GLY 6 HA1 GLY 6 8.951 -1.020 -8.666 43 HA3 GLY 6 HA2 GLY 6 8.538 -0.279 -10.205 44 H VAL 7 HN VAL 7 8.886 0.323 -6.748 45 HA VAL 7 HA VAL 7 8.639 3.170 -7.007 46 HB VAL 7 HB VAL 7 8.043 2.066 -4.910 47 HG11 VAL 7 HG11 VAL 7 9.416 0.741 -3.681 48 HG12 VAL 7 HG12 VAL 7 10.147 0.460 -5.263 49 HG13 VAL 7 HG13 VAL 7 10.870 1.622 -4.150 50 HG21 VAL 7 HG21 VAL 7 8.516 3.984 -3.896 51 HG22 VAL 7 HG22 VAL 7 10.213 3.528 -3.755 52 HG23 VAL 7 HG23 VAL 7 9.643 4.368 -5.197 53 H HIS 8 HN HIS 8 11.279 0.856 -6.884 54 HA HIS 8 HA HIS 8 13.321 2.878 -6.707 55 HB2 HIS 8 HB1 HIS 8 13.469 -0.086 -7.288 56 HB3 HIS 8 HB2 HIS 8 14.875 0.957 -7.100 57 HD1 HIS 8 HD1 HIS 8 12.059 -0.570 -5.139 58 HD2 HIS 8 HD2 HIS 8 15.551 1.584 -4.485 59 HE1 HIS 8 HE1 HIS 8 12.449 -0.658 -2.656 60 H SER 9 HN SER 9 13.040 0.322 -9.158 61 HA SER 9 HA SER 9 12.786 2.105 -11.354 62 HB2 SER 9 HB1 SER 9 15.484 1.488 -10.403 63 HB3 SER 9 HB2 SER 9 15.243 1.089 -12.104 64 HG SER 9 HG SER 9 15.547 3.501 -10.960 65 H THR 10 HN THR 10 11.650 0.951 -12.749 66 HA THR 10 HA THR 10 11.439 -1.872 -12.624 67 HB THR 10 HB THR 10 9.944 -1.732 -14.470 68 HG1 THR 10 HG1 THR 10 10.814 0.935 -14.949 69 HG21 THR 10 HG21 THR 10 9.523 0.945 -13.191 70 HG22 THR 10 HG22 THR 10 9.368 -0.532 -12.240 71 HG23 THR 10 HG23 THR 10 8.333 -0.275 -13.644 72 H LYS 11 HN LYS 11 13.038 0.319 -14.914 73 HA LYS 11 HA LYS 11 13.966 -1.666 -16.680 74 HB2 LYS 11 HB1 LYS 11 13.900 0.694 -17.298 75 HB3 LYS 11 HB2 LYS 11 15.105 1.068 -16.072 76 HG2 LYS 11 HG1 LYS 11 16.817 0.029 -17.266 77 HG3 LYS 11 HG2 LYS 11 15.687 -0.867 -18.284 78 HD2 LYS 11 HD1 LYS 11 14.958 1.285 -19.282 79 HD3 LYS 11 HD2 LYS 11 16.200 2.107 -18.334 80 HE2 LYS 11 HE1 LYS 11 16.853 -0.158 -20.197 81 HE3 LYS 11 HE2 LYS 11 16.761 1.512 -20.755 82 HZ1 LYS 11 HZ1 LYS 11 18.940 0.283 -19.643 83 HZ2 LYS 11 HZ2 LYS 11 18.353 1.272 -18.404 84 HZ3 LYS 11 HZ3 LYS 11 18.751 1.943 -19.905 85 H SER 12 HN SER 12 15.333 -0.284 -13.745 86 HA SER 12 HA SER 12 17.913 -1.371 -13.950 87 HB2 SER 12 HB1 SER 12 17.536 0.342 -12.330 88 HB3 SER 12 HB2 SER 12 16.249 -0.580 -11.555 89 HG SER 12 HG SER 12 18.703 -0.550 -10.815 90 H GLY 13 HN GLY 13 14.881 -2.819 -13.191 91 HA2 GLY 13 HA1 GLY 13 15.575 -5.423 -13.497 92 HA3 GLY 13 HA2 GLY 13 15.991 -5.103 -11.820 93 H SER 14 HN SER 14 13.374 -5.278 -14.147 94 HA SER 14 HA SER 14 11.249 -4.639 -12.429 95 HB2 SER 14 HB1 SER 14 11.183 -4.862 -14.965 96 HB3 SER 14 HB2 SER 14 11.080 -6.605 -14.716 97 HG SER 14 HG SER 14 9.026 -5.469 -14.928 98 H SER 15 HN SER 15 12.224 -7.887 -13.543 99 HA SER 15 HA SER 15 10.667 -9.232 -11.591 100 HB2 SER 15 HB1 SER 15 12.828 -10.077 -13.500 101 HB3 SER 15 HB2 SER 15 12.227 -11.202 -12.283 102 HG SER 15 HG SER 15 11.010 -10.246 -14.566 103 H VAL 16 HN VAL 16 13.932 -8.017 -11.653 104 HA VAL 16 HA VAL 16 14.887 -9.491 -9.408 105 HB VAL 16 HB VAL 16 15.913 -6.882 -10.536 106 HG11 VAL 16 HG11 VAL 16 18.067 -7.701 -9.480 107 HG12 VAL 16 HG12 VAL 16 16.818 -7.135 -8.369 108 HG13 VAL 16 HG13 VAL 16 17.079 -8.865 -8.598 109 HG21 VAL 16 HG21 VAL 16 15.853 -9.414 -11.720 110 HG22 VAL 16 HG22 VAL 16 16.805 -8.019 -12.228 111 HG23 VAL 16 HG23 VAL 16 17.502 -9.209 -11.129 112 H ASN 17 HN ASN 17 13.029 -6.597 -9.799 113 HA ASN 17 HA ASN 17 13.551 -5.537 -7.186 114 HB2 ASN 17 HB1 ASN 17 11.885 -4.814 -9.510 115 HB3 ASN 17 HB2 ASN 17 11.222 -4.344 -7.947 116 HD21 ASN 17 HD21 ASN 17 14.575 -4.537 -9.049 117 HD22 ASN 17 HD22 ASN 17 14.944 -2.871 -8.779 118 H TRP 18 HN TRP 18 10.916 -7.374 -8.684 119 HA TRP 18 HA TRP 18 9.209 -7.408 -6.447 120 HB2 TRP 18 HB1 TRP 18 9.362 -9.639 -8.464 121 HB3 TRP 18 HB2 TRP 18 7.950 -9.037 -7.600 122 HD1 TRP 18 HD1 TRP 18 8.724 -9.202 -10.928 123 HE1 TRP 18 HE1 TRP 18 8.087 -7.117 -12.296 124 HE3 TRP 18 HE3 TRP 18 8.252 -5.836 -7.109 125 HZ2 TRP 18 HZ2 TRP 18 7.466 -4.405 -11.820 126 HZ3 TRP 18 HZ3 TRP 18 7.634 -3.517 -7.650 127 HH2 TRP 18 HH2 TRP 18 7.250 -2.818 -9.958 128 H GLY 19 HN GLY 19 11.308 -10.031 -7.672 129 HA2 GLY 19 HA1 GLY 19 11.004 -11.794 -5.565 130 HA3 GLY 19 HA2 GLY 19 12.450 -11.683 -6.557 131 H GLU 20 HN GLU 20 13.359 -9.155 -5.865 132 HA GLU 20 HA GLU 20 14.772 -9.690 -3.501 133 HB2 GLU 20 HB1 GLU 20 14.403 -7.267 -5.218 134 HB3 GLU 20 HB2 GLU 20 15.206 -7.103 -3.662 135 HG2 GLU 20 HG1 GLU 20 16.907 -8.663 -4.310 136 HG3 GLU 20 HG2 GLU 20 16.060 -9.024 -5.813 137 H ALA 21 HN ALA 21 11.998 -7.563 -4.115 138 HA ALA 21 HA ALA 21 11.750 -6.410 -1.607 139 HB1 ALA 21 HB1 ALA 21 10.438 -5.957 -3.776 140 HB2 ALA 21 HB2 ALA 21 9.339 -7.209 -3.195 141 HB3 ALA 21 HB3 ALA 21 9.608 -5.755 -2.233 142 H PHE 22 HN PHE 22 9.947 -9.255 -2.793 143 HA PHE 22 HA PHE 22 8.874 -9.922 -0.270 144 HB2 PHE 22 HB1 PHE 22 9.319 -11.731 -2.654 145 HB3 PHE 22 HB2 PHE 22 8.228 -12.040 -1.307 146 HD1 PHE 22 HD1 PHE 22 6.498 -10.050 -0.881 147 HD2 PHE 22 HD2 PHE 22 8.402 -10.920 -4.587 148 HE1 PHE 22 HE1 PHE 22 4.689 -8.890 -2.079 149 HE2 PHE 22 HE2 PHE 22 6.596 -9.761 -5.791 150 HZ PHE 22 HZ PHE 22 4.737 -8.743 -4.537 151 H SER 23 HN SER 23 11.913 -10.602 -1.786 152 HA SER 23 HA SER 23 12.683 -12.878 -0.335 153 HB2 SER 23 HB1 SER 23 14.217 -12.587 -1.980 154 HB3 SER 23 HB2 SER 23 14.028 -10.833 -1.981 155 HG SER 23 HG SER 23 16.101 -11.518 -1.240 156 H ALA 24 HN ALA 24 13.033 -9.429 0.364 157 HA ALA 24 HA ALA 24 14.626 -9.640 2.656 158 HB1 ALA 24 HB1 ALA 24 12.547 -7.513 2.471 159 HB2 ALA 24 HB2 ALA 24 14.232 -7.402 2.981 160 HB3 ALA 24 HB3 ALA 24 13.837 -7.562 1.269 161 H GLY 25 HN GLY 25 11.109 -9.747 2.259 162 HA2 GLY 25 HA1 GLY 25 10.488 -9.785 5.025 163 HA3 GLY 25 HA2 GLY 25 9.427 -10.301 3.723 164 H VAL 26 HN VAL 26 10.804 -12.403 2.638 165 HA VAL 26 HA VAL 26 10.127 -14.525 4.315 166 HB VAL 26 HB VAL 26 12.086 -14.542 2.015 167 HG11 VAL 26 HG11 VAL 26 12.365 -16.520 3.358 168 HG12 VAL 26 HG12 VAL 26 10.621 -16.791 3.391 169 HG13 VAL 26 HG13 VAL 26 11.511 -16.950 1.876 170 HG21 VAL 26 HG21 VAL 26 9.559 -15.703 1.396 171 HG22 VAL 26 HG22 VAL 26 9.293 -14.094 2.065 172 HG23 VAL 26 HG23 VAL 26 10.341 -14.303 0.662 173 H HIS 27 HN HIS 27 13.277 -13.026 3.694 174 HA HIS 27 HA HIS 27 14.878 -14.784 5.143 175 HB2 HIS 27 HB1 HIS 27 15.446 -12.672 3.650 176 HB3 HIS 27 HB2 HIS 27 15.489 -11.861 5.213 177 HD1 HIS 27 HD1 HIS 27 17.508 -12.268 6.686 178 HD2 HIS 27 HD2 HIS 27 17.445 -14.683 3.306 179 HE1 HIS 27 HE1 HIS 27 19.768 -13.368 6.603 180 H ARG 28 HN ARG 28 12.646 -12.383 6.229 181 HA ARG 28 HA ARG 28 13.673 -11.906 8.806 182 HB2 ARG 28 HB1 ARG 28 11.708 -10.779 7.439 183 HB3 ARG 28 HB2 ARG 28 10.726 -11.930 8.335 184 HG2 ARG 28 HG1 ARG 28 10.703 -9.920 9.567 185 HG3 ARG 28 HG2 ARG 28 11.774 -11.023 10.434 186 HD2 ARG 28 HD1 ARG 28 13.603 -9.861 8.919 187 HD3 ARG 28 HD2 ARG 28 12.413 -8.560 8.893 188 HE ARG 28 HE ARG 28 12.619 -9.137 11.521 189 HH11 ARG 28 HH11 ARG 28 14.969 -8.441 9.049 190 HH12 ARG 28 HH12 ARG 28 16.100 -7.718 10.145 191 HH21 ARG 28 HH21 ARG 28 14.099 -8.188 12.974 192 HH22 ARG 28 HH22 ARG 28 15.605 -7.576 12.377 193 H LEU 29 HN LEU 29 11.258 -14.243 7.648 194 HA LEU 29 HA LEU 29 10.692 -15.407 10.138 195 HB2 LEU 29 HB1 LEU 29 9.524 -17.031 8.975 196 HB3 LEU 29 HB2 LEU 29 9.476 -15.645 7.886 197 HG LEU 29 HG LEU 29 11.692 -16.975 7.002 198 HD11 LEU 29 HD11 LEU 29 11.496 -19.238 7.128 199 HD12 LEU 29 HD12 LEU 29 9.742 -19.191 7.306 200 HD13 LEU 29 HD13 LEU 29 10.778 -18.808 8.681 201 HD21 LEU 29 HD21 LEU 29 8.828 -17.308 6.115 202 HD22 LEU 29 HD22 LEU 29 10.249 -17.714 5.152 203 HD23 LEU 29 HD23 LEU 29 9.942 -16.037 5.609 204 H ALA 30 HN ALA 30 13.368 -15.778 7.981 205 HA ALA 30 HA ALA 30 14.284 -18.315 8.796 206 HB1 ALA 30 HB1 ALA 30 16.525 -16.741 8.134 207 HB2 ALA 30 HB2 ALA 30 15.669 -17.900 7.116 208 HB3 ALA 30 HB3 ALA 30 15.196 -16.201 7.106 209 H ASN 31 HN ASN 31 14.466 -15.182 10.268 210 HA ASN 31 HA ASN 31 16.521 -16.017 12.154 211 HB2 ASN 31 HB1 ASN 31 16.411 -13.688 11.137 212 HB3 ASN 31 HB2 ASN 31 15.002 -13.408 12.156 213 HD21 ASN 31 HD21 ASN 31 18.382 -14.439 12.298 214 HD22 ASN 31 HD22 ASN 31 18.717 -13.726 13.836 215 H GLY 32 HN GLY 32 13.070 -15.561 11.977 216 HA2 GLY 32 HA1 GLY 32 11.875 -17.034 13.624 217 HA3 GLY 32 HA2 GLY 32 12.871 -16.253 14.843 218 H GLY 33 HN GLY 33 10.884 -15.114 12.103 219 HA2 GLY 33 HA1 GLY 33 9.459 -13.380 14.022 220 HA3 GLY 33 HA2 GLY 33 10.030 -12.759 12.480 221 H ASN 34 HN ASN 34 8.084 -12.236 11.586 222 HA ASN 34 HA ASN 34 5.996 -14.276 11.465 223 HB2 ASN 34 HB1 ASN 34 4.688 -12.371 10.370 224 HB3 ASN 34 HB2 ASN 34 5.117 -12.164 12.066 225 HD21 ASN 34 HD21 ASN 34 5.341 -10.903 8.931 226 HD22 ASN 34 HD22 ASN 34 6.384 -9.571 9.281 227 H GLY 35 HN GLY 35 7.749 -12.118 9.230 228 HA2 GLY 35 HA1 GLY 35 8.261 -12.341 7.004 229 HA3 GLY 35 HA2 GLY 35 8.297 -14.070 7.315 230 H PHE 36 HN PHE 36 5.850 -11.491 7.003 231 HA PHE 36 HA PHE 36 4.167 -13.389 5.521 232 HB2 PHE 36 HB1 PHE 36 3.585 -10.978 7.194 233 HB3 PHE 36 HB2 PHE 36 2.449 -11.432 5.928 234 HD1 PHE 36 HD2 PHE 36 2.074 -14.158 5.947 235 HD2 PHE 36 HD1 PHE 36 2.989 -11.677 9.282 236 HE1 PHE 36 HE2 PHE 36 1.057 -15.816 7.454 237 HE2 PHE 36 HE1 PHE 36 1.975 -13.332 10.795 238 HZ PHE 36 HZ PHE 36 1.006 -15.403 9.881 239 H TRP 37 HN TRP 37 6.484 -11.839 4.457 240 HA TRP 37 HA TRP 37 5.072 -10.675 2.171 241 HB2 TRP 37 HB1 TRP 37 7.517 -9.259 3.132 242 HB3 TRP 37 HB2 TRP 37 6.136 -8.633 2.235 243 HD1 TRP 37 HD1 TRP 37 3.740 -8.687 3.882 244 HE1 TRP 37 HE1 TRP 37 3.550 -7.758 6.275 245 HE3 TRP 37 HE3 TRP 37 8.691 -8.708 5.156 246 HZ2 TRP 37 HZ2 TRP 37 5.271 -7.119 8.419 247 HZ3 TRP 37 HZ3 TRP 37 9.335 -7.922 7.397 248 HH2 TRP 37 HH2 TRP 37 7.659 -7.144 8.993 Start of MODEL 9 1 H1 LYS 1 HN LYS 1 4.273 0.602 -1.005 2 HA LYS 1 HA LYS 1 6.274 -0.301 -2.483 3 HB2 LYS 1 HB1 LYS 1 6.374 0.909 -0.214 4 HB3 LYS 1 HB2 LYS 1 6.472 -0.697 0.495 5 HG2 LYS 1 HG1 LYS 1 8.521 -1.151 -0.657 6 HG3 LYS 1 HG2 LYS 1 8.388 0.351 -1.576 7 HD2 LYS 1 HD1 LYS 1 8.374 0.520 1.393 8 HD3 LYS 1 HD2 LYS 1 9.905 0.165 0.590 9 HE2 LYS 1 HE1 LYS 1 9.914 2.481 0.716 10 HE3 LYS 1 HE2 LYS 1 9.311 2.183 -0.913 11 HZ1 LYS 1 HZ1 LYS 1 8.109 3.722 0.990 12 HZ2 LYS 1 HZ2 LYS 1 7.210 2.290 1.023 13 HZ3 LYS 1 HZ3 LYS 1 7.383 3.146 -0.426 14 H TYR 2 HN TYR 2 4.239 -2.329 -2.574 15 HA TYR 2 HA TYR 2 5.945 -4.647 -2.402 16 HB2 TYR 2 HB1 TYR 2 4.172 -5.929 -1.079 17 HB3 TYR 2 HB2 TYR 2 5.177 -4.803 -0.174 18 HD1 TYR 2 HD1 TYR 2 1.812 -5.466 -1.462 19 HD2 TYR 2 HD2 TYR 2 4.240 -2.768 0.757 20 HE1 TYR 2 HE1 TYR 2 -0.210 -4.348 -0.622 21 HE2 TYR 2 HE2 TYR 2 2.224 -1.642 1.605 22 HH TYR 2 HH TYR 2 -0.093 -1.351 1.049 23 H TYR 3 HN TYR 3 5.502 -6.014 -4.016 24 HA TYR 3 HA TYR 3 4.492 -6.966 -5.818 25 HB2 TYR 3 HB1 TYR 3 2.746 -7.445 -4.008 26 HB3 TYR 3 HB2 TYR 3 1.843 -6.089 -4.675 27 HD1 TYR 3 HD2 TYR 3 3.715 -8.955 -6.188 28 HD2 TYR 3 HD1 TYR 3 0.046 -6.818 -5.916 29 HE1 TYR 3 HE2 TYR 3 2.726 -10.449 -7.874 30 HE2 TYR 3 HE1 TYR 3 -0.953 -8.306 -7.600 31 HH TYR 3 HH TYR 3 -0.627 -10.525 -8.520 32 H GLY 4 HN GLY 4 5.175 -4.075 -5.741 33 HA2 GLY 4 HA1 GLY 4 5.012 -3.033 -8.055 34 HA3 GLY 4 HA2 GLY 4 3.278 -3.082 -7.773 35 H ASN 5 HN ASN 5 6.314 -1.712 -6.587 36 HA ASN 5 HA ASN 5 4.937 0.247 -4.967 37 HB2 ASN 5 HB1 ASN 5 7.125 -0.739 -4.290 38 HB3 ASN 5 HB2 ASN 5 7.878 0.075 -5.658 39 HD21 ASN 5 HD21 ASN 5 9.210 1.366 -4.471 40 HD22 ASN 5 HD22 ASN 5 8.641 2.647 -3.460 41 H GLY 6 HN GLY 6 6.317 0.032 -8.149 42 HA2 GLY 6 HA1 GLY 6 5.617 1.536 -9.874 43 HA3 GLY 6 HA2 GLY 6 5.426 2.788 -8.656 44 H VAL 7 HN VAL 7 8.262 0.862 -8.457 45 HA VAL 7 HA VAL 7 9.933 3.146 -8.908 46 HB VAL 7 HB VAL 7 11.813 1.579 -8.526 47 HG11 VAL 7 HG11 VAL 7 10.883 2.654 -6.611 48 HG12 VAL 7 HG12 VAL 7 9.536 1.515 -6.553 49 HG13 VAL 7 HG13 VAL 7 11.172 0.968 -6.184 50 HG21 VAL 7 HG21 VAL 7 10.428 -0.690 -7.575 51 HG22 VAL 7 HG22 VAL 7 9.829 -0.360 -9.200 52 HG23 VAL 7 HG23 VAL 7 11.556 -0.590 -8.928 53 H HIS 8 HN HIS 8 8.806 0.486 -10.814 54 HA HIS 8 HA HIS 8 9.221 -0.200 -12.948 55 HB2 HIS 8 HB1 HIS 8 9.488 2.776 -13.042 56 HB3 HIS 8 HB2 HIS 8 9.882 1.843 -14.483 57 HD1 HIS 8 HD1 HIS 8 7.068 0.860 -12.200 58 HD2 HIS 8 HD2 HIS 8 7.640 2.672 -15.895 59 HE1 HIS 8 HE1 HIS 8 4.785 0.990 -13.245 60 H SER 9 HN SER 9 11.461 -0.264 -11.045 61 HA SER 9 HA SER 9 13.833 0.425 -12.512 62 HB2 SER 9 HB1 SER 9 13.408 0.148 -9.896 63 HB3 SER 9 HB2 SER 9 13.936 -1.500 -10.236 64 HG SER 9 HG SER 9 15.773 -0.408 -11.341 65 H THR 10 HN THR 10 12.660 -0.955 -14.338 66 HA THR 10 HA THR 10 12.922 -3.772 -14.247 67 HB THR 10 HB THR 10 12.440 -3.781 -16.579 68 HG1 THR 10 HG1 THR 10 12.982 -0.986 -16.652 69 HG21 THR 10 HG21 THR 10 10.652 -2.942 -14.986 70 HG22 THR 10 HG22 THR 10 10.430 -2.531 -16.687 71 HG23 THR 10 HG23 THR 10 11.037 -1.320 -15.558 72 H LYS 11 HN LYS 11 15.126 -1.195 -15.015 73 HA LYS 11 HA LYS 11 17.031 -2.541 -16.531 74 HB2 LYS 11 HB1 LYS 11 17.253 -0.272 -14.564 75 HB3 LYS 11 HB2 LYS 11 18.657 -0.883 -15.429 76 HG2 LYS 11 HG1 LYS 11 16.172 0.071 -16.821 77 HG3 LYS 11 HG2 LYS 11 17.526 1.132 -16.427 78 HD2 LYS 11 HD1 LYS 11 18.950 -0.666 -17.649 79 HD3 LYS 11 HD2 LYS 11 17.408 -1.156 -18.353 80 HE2 LYS 11 HE1 LYS 11 18.417 0.385 -19.860 81 HE3 LYS 11 HE2 LYS 11 17.083 1.222 -19.069 82 HZ1 LYS 11 HZ1 LYS 11 19.287 1.686 -17.489 83 HZ2 LYS 11 HZ2 LYS 11 18.538 2.787 -18.532 84 HZ3 LYS 11 HZ3 LYS 11 19.849 1.865 -19.075 85 H SER 12 HN SER 12 17.287 -1.884 -13.031 86 HA SER 12 HA SER 12 19.388 -3.699 -12.596 87 HB2 SER 12 HB1 SER 12 17.448 -2.256 -10.836 88 HB3 SER 12 HB2 SER 12 18.418 -3.553 -10.139 89 HG SER 12 HG SER 12 19.641 -1.764 -9.897 90 H GLY 13 HN GLY 13 15.944 -4.124 -12.763 91 HA2 GLY 13 HA1 GLY 13 15.857 -6.784 -13.246 92 HA3 GLY 13 HA2 GLY 13 15.965 -6.720 -11.493 93 H SER 14 HN SER 14 13.868 -6.898 -14.028 94 HA SER 14 HA SER 14 11.750 -5.225 -13.160 95 HB2 SER 14 HB1 SER 14 10.361 -6.833 -14.629 96 HB3 SER 14 HB2 SER 14 11.627 -5.889 -15.413 97 HG SER 14 HG SER 14 11.450 -8.312 -15.776 98 H SER 15 HN SER 15 11.840 -8.790 -13.156 99 HA SER 15 HA SER 15 9.800 -8.937 -11.151 100 HB2 SER 15 HB1 SER 15 10.221 -10.633 -13.011 101 HB3 SER 15 HB2 SER 15 11.579 -11.207 -12.043 102 HG SER 15 HG SER 15 8.824 -11.238 -11.408 103 H VAL 16 HN VAL 16 13.281 -9.034 -11.193 104 HA VAL 16 HA VAL 16 13.710 -10.199 -8.659 105 HB VAL 16 HB VAL 16 15.487 -8.173 -10.019 106 HG11 VAL 16 HG11 VAL 16 16.011 -8.709 -7.661 107 HG12 VAL 16 HG12 VAL 16 16.165 -10.408 -8.112 108 HG13 VAL 16 HG13 VAL 16 17.276 -9.213 -8.781 109 HG21 VAL 16 HG21 VAL 16 15.322 -11.159 -10.404 110 HG22 VAL 16 HG22 VAL 16 14.981 -9.915 -11.607 111 HG23 VAL 16 HG23 VAL 16 16.626 -10.139 -11.011 112 H ASN 17 HN ASN 17 12.790 -7.005 -9.648 113 HA ASN 17 HA ASN 17 13.543 -5.661 -7.248 114 HB2 ASN 17 HB1 ASN 17 13.274 -4.343 -9.229 115 HB3 ASN 17 HB2 ASN 17 11.635 -4.939 -9.476 116 HD21 ASN 17 HD21 ASN 17 13.655 -2.744 -7.738 117 HD22 ASN 17 HD22 ASN 17 12.388 -1.840 -6.988 118 H TRP 18 HN TRP 18 10.366 -6.667 -8.521 119 HA TRP 18 HA TRP 18 8.809 -5.984 -6.348 120 HB2 TRP 18 HB1 TRP 18 8.368 -8.489 -7.972 121 HB3 TRP 18 HB2 TRP 18 7.155 -7.479 -7.191 122 HD1 TRP 18 HD1 TRP 18 7.928 -8.253 -10.487 123 HE1 TRP 18 HE1 TRP 18 7.635 -6.289 -12.124 124 HE3 TRP 18 HE3 TRP 18 7.911 -4.397 -7.131 125 HZ2 TRP 18 HZ2 TRP 18 7.425 -3.476 -12.008 126 HZ3 TRP 18 HZ3 TRP 18 7.660 -2.100 -7.976 127 HH2 TRP 18 HH2 TRP 18 7.423 -1.651 -10.364 128 H GLY 19 HN GLY 19 10.753 -8.888 -6.851 129 HA2 GLY 19 HA1 GLY 19 9.824 -10.187 -4.466 130 HA3 GLY 19 HA2 GLY 19 11.184 -10.684 -5.463 131 H GLU 20 HN GLU 20 12.615 -8.204 -5.311 132 HA GLU 20 HA GLU 20 14.207 -8.650 -3.085 133 HB2 GLU 20 HB1 GLU 20 13.872 -6.408 -5.007 134 HB3 GLU 20 HB2 GLU 20 14.755 -6.069 -3.525 135 HG2 GLU 20 HG1 GLU 20 15.440 -8.383 -5.306 136 HG3 GLU 20 HG2 GLU 20 16.113 -6.772 -5.543 137 H ALA 21 HN ALA 21 11.263 -6.839 -3.384 138 HA ALA 21 HA ALA 21 11.514 -5.253 -1.052 139 HB1 ALA 21 HB1 ALA 21 9.413 -5.897 -2.983 140 HB2 ALA 21 HB2 ALA 21 8.821 -5.561 -1.356 141 HB3 ALA 21 HB3 ALA 21 9.807 -4.367 -2.199 142 H PHE 22 HN PHE 22 9.567 -8.193 -1.617 143 HA PHE 22 HA PHE 22 8.901 -8.562 1.100 144 HB2 PHE 22 HB1 PHE 22 8.991 -10.645 -1.093 145 HB3 PHE 22 HB2 PHE 22 8.103 -10.763 0.423 146 HD1 PHE 22 HD1 PHE 22 6.149 -9.294 0.822 147 HD2 PHE 22 HD2 PHE 22 8.117 -9.468 -2.948 148 HE1 PHE 22 HE1 PHE 22 4.190 -8.255 -0.245 149 HE2 PHE 22 HE2 PHE 22 6.162 -8.429 -4.021 150 HZ PHE 22 HZ PHE 22 4.196 -7.820 -2.669 151 H SER 23 HN SER 23 11.595 -9.629 -0.860 152 HA SER 23 HA SER 23 12.628 -11.685 0.665 153 HB2 SER 23 HB1 SER 23 13.550 -11.012 -1.517 154 HB3 SER 23 HB2 SER 23 14.190 -9.537 -0.792 155 HG SER 23 HG SER 23 14.876 -12.142 0.092 156 H ALA 24 HN ALA 24 12.701 -8.244 1.258 157 HA ALA 24 HA ALA 24 14.702 -8.242 3.261 158 HB1 ALA 24 HB1 ALA 24 12.421 -6.297 2.938 159 HB2 ALA 24 HB2 ALA 24 13.939 -6.022 3.793 160 HB3 ALA 24 HB3 ALA 24 13.938 -6.225 2.041 161 H GLY 25 HN GLY 25 11.151 -8.386 3.424 162 HA2 GLY 25 HA1 GLY 25 10.899 -8.367 6.211 163 HA3 GLY 25 HA2 GLY 25 9.740 -9.076 5.097 164 H VAL 26 HN VAL 26 11.543 -11.029 3.996 165 HA VAL 26 HA VAL 26 11.071 -13.185 5.678 166 HB VAL 26 HB VAL 26 13.253 -12.948 3.600 167 HG11 VAL 26 HG11 VAL 26 13.861 -14.918 4.509 168 HG12 VAL 26 HG12 VAL 26 12.298 -15.160 5.291 169 HG13 VAL 26 HG13 VAL 26 12.498 -15.542 3.581 170 HG21 VAL 26 HG21 VAL 26 11.478 -14.241 2.245 171 HG22 VAL 26 HG22 VAL 26 10.335 -13.612 3.432 172 HG23 VAL 26 HG23 VAL 26 11.283 -12.500 2.444 173 H HIS 27 HN HIS 27 13.892 -11.086 5.442 174 HA HIS 27 HA HIS 27 15.607 -12.590 7.099 175 HB2 HIS 27 HB1 HIS 27 16.120 -10.568 5.539 176 HB3 HIS 27 HB2 HIS 27 15.727 -9.594 6.953 177 HD1 HIS 27 HD1 HIS 27 17.085 -11.365 9.111 178 HD2 HIS 27 HD2 HIS 27 18.834 -10.260 5.508 179 HE1 HIS 27 HE1 HIS 27 19.566 -11.531 9.489 180 H ARG 28 HN ARG 28 13.399 -9.901 7.805 181 HA ARG 28 HA ARG 28 14.004 -9.676 10.540 182 HB2 ARG 28 HB1 ARG 28 11.765 -8.814 8.780 183 HB3 ARG 28 HB2 ARG 28 11.480 -8.806 10.516 184 HG2 ARG 28 HG1 ARG 28 12.252 -6.689 10.253 185 HG3 ARG 28 HG2 ARG 28 13.786 -7.518 10.528 186 HD2 ARG 28 HD1 ARG 28 14.151 -7.658 8.121 187 HD3 ARG 28 HD2 ARG 28 12.602 -6.868 7.830 188 HE ARG 28 HE ARG 28 15.068 -5.606 8.510 189 HH11 ARG 28 HH11 ARG 28 11.610 -5.364 8.831 190 HH12 ARG 28 HH12 ARG 28 11.617 -3.642 9.017 191 HH21 ARG 28 HH21 ARG 28 15.090 -3.338 8.754 192 HH22 ARG 28 HH22 ARG 28 13.597 -2.490 8.972 193 H LEU 29 HN LEU 29 11.523 -11.554 8.840 194 HA LEU 29 HA LEU 29 10.279 -12.598 11.147 195 HB2 LEU 29 HB1 LEU 29 10.438 -13.761 8.370 196 HB3 LEU 29 HB2 LEU 29 9.318 -14.270 9.631 197 HG LEU 29 HG LEU 29 9.302 -11.433 8.686 198 HD11 LEU 29 HD11 LEU 29 7.794 -11.942 6.915 199 HD12 LEU 29 HD12 LEU 29 7.763 -13.650 7.351 200 HD13 LEU 29 HD13 LEU 29 9.233 -12.936 6.687 201 HD21 LEU 29 HD21 LEU 29 6.739 -12.258 9.104 202 HD22 LEU 29 HD22 LEU 29 7.756 -11.464 10.307 203 HD23 LEU 29 HD23 LEU 29 7.625 -13.223 10.285 204 H ALA 30 HN ALA 30 13.104 -13.552 9.335 205 HA ALA 30 HA ALA 30 13.401 -16.187 10.191 206 HB1 ALA 30 HB1 ALA 30 14.752 -15.065 8.428 207 HB2 ALA 30 HB2 ALA 30 15.642 -14.233 9.704 208 HB3 ALA 30 HB3 ALA 30 15.710 -15.991 9.584 209 H ASN 31 HN ASN 31 13.883 -13.202 11.887 210 HA ASN 31 HA ASN 31 15.429 -14.407 14.015 211 HB2 ASN 31 HB1 ASN 31 15.773 -12.041 13.297 212 HB3 ASN 31 HB2 ASN 31 14.164 -11.661 13.905 213 HD21 ASN 31 HD21 ASN 31 17.356 -12.803 14.821 214 HD22 ASN 31 HD22 ASN 31 17.268 -12.293 16.470 215 H GLY 32 HN GLY 32 12.105 -13.658 13.320 216 HA2 GLY 32 HA1 GLY 32 11.136 -15.296 15.409 217 HA3 GLY 32 HA2 GLY 32 11.021 -13.610 15.890 218 H GLY 33 HN GLY 33 10.009 -15.961 13.457 219 HA2 GLY 33 HA1 GLY 33 7.369 -14.954 13.362 220 HA3 GLY 33 HA2 GLY 33 8.276 -14.346 11.984 221 H ASN 34 HN ASN 34 7.568 -15.458 10.276 222 HA ASN 34 HA ASN 34 7.062 -18.323 10.524 223 HB2 ASN 34 HB1 ASN 34 6.224 -18.025 8.127 224 HB3 ASN 34 HB2 ASN 34 5.305 -17.217 9.393 225 HD21 ASN 34 HD21 ASN 34 6.821 -16.860 6.448 226 HD22 ASN 34 HD22 ASN 34 6.860 -15.134 6.376 227 H GLY 35 HN GLY 35 8.876 -16.114 8.388 228 HA2 GLY 35 HA1 GLY 35 10.753 -16.450 7.110 229 HA3 GLY 35 HA2 GLY 35 11.233 -17.594 8.355 230 H PHE 36 HN PHE 36 8.286 -18.124 6.617 231 HA PHE 36 HA PHE 36 9.509 -20.469 5.353 232 HB2 PHE 36 HB1 PHE 36 7.591 -20.978 6.733 233 HB3 PHE 36 HB2 PHE 36 6.619 -19.770 5.899 234 HD1 PHE 36 HD2 PHE 36 8.672 -22.776 5.069 235 HD2 PHE 36 HD1 PHE 36 5.129 -20.532 4.338 236 HE1 PHE 36 HE2 PHE 36 7.919 -24.491 3.473 237 HE2 PHE 36 HE1 PHE 36 4.370 -22.244 2.742 238 HZ PHE 36 HZ PHE 36 5.766 -24.226 2.307 239 H TRP 37 HN TRP 37 7.967 -17.443 4.652 240 HA TRP 37 HA TRP 37 7.601 -18.080 1.841 241 HB2 TRP 37 HB1 TRP 37 6.793 -15.882 3.655 242 HB3 TRP 37 HB2 TRP 37 7.082 -15.432 1.977 243 HD1 TRP 37 HD1 TRP 37 5.474 -18.760 3.076 244 HE1 TRP 37 HE1 TRP 37 3.087 -18.854 2.119 245 HE3 TRP 37 HE3 TRP 37 5.210 -14.057 1.088 246 HZ2 TRP 37 HZ2 TRP 37 1.324 -17.159 0.708 247 HZ3 TRP 37 HZ3 TRP 37 3.138 -13.372 -0.049 248 HH2 TRP 37 HH2 TRP 37 1.237 -14.893 -0.234 Start of MODEL 10 1 H1 LYS 1 HN LYS 1 1.666 -1.992 -6.546 2 HA LYS 1 HA LYS 1 2.083 -0.395 -4.236 3 HB2 LYS 1 HB1 LYS 1 0.839 -3.081 -4.737 4 HB3 LYS 1 HB2 LYS 1 1.080 -2.508 -3.092 5 HG2 LYS 1 HG1 LYS 1 -1.125 -1.934 -3.666 6 HG3 LYS 1 HG2 LYS 1 -0.198 -0.435 -3.759 7 HD2 LYS 1 HD1 LYS 1 -0.289 -0.368 -6.065 8 HD3 LYS 1 HD2 LYS 1 -0.540 -2.109 -6.210 9 HE2 LYS 1 HE1 LYS 1 -2.640 -1.330 -6.710 10 HE3 LYS 1 HE2 LYS 1 -2.786 -1.574 -4.970 11 HZ1 LYS 1 HZ1 LYS 1 -2.812 0.651 -4.564 12 HZ2 LYS 1 HZ2 LYS 1 -3.523 0.658 -6.099 13 HZ3 LYS 1 HZ3 LYS 1 -1.885 1.043 -5.924 14 H TYR 2 HN TYR 2 4.545 -1.302 -5.452 15 HA TYR 2 HA TYR 2 5.656 -3.348 -3.764 16 HB2 TYR 2 HB1 TYR 2 7.200 -1.439 -5.516 17 HB3 TYR 2 HB2 TYR 2 7.675 -3.049 -4.987 18 HD1 TYR 2 HD1 TYR 2 5.816 -4.913 -5.690 19 HD2 TYR 2 HD2 TYR 2 6.590 -1.258 -7.725 20 HE1 TYR 2 HE1 TYR 2 4.882 -5.871 -7.754 21 HE2 TYR 2 HE2 TYR 2 5.657 -2.205 -9.794 22 HH TYR 2 HH TYR 2 5.408 -4.928 -10.621 23 H TYR 3 HN TYR 3 8.139 -2.464 -3.102 24 HA TYR 3 HA TYR 3 7.554 -0.762 -0.838 25 HB2 TYR 3 HB1 TYR 3 8.942 -2.665 -0.402 26 HB3 TYR 3 HB2 TYR 3 10.043 -2.237 -1.707 27 HD1 TYR 3 HD2 TYR 3 8.654 -0.658 1.391 28 HD2 TYR 3 HD1 TYR 3 12.056 -1.317 -1.079 29 HE1 TYR 3 HE2 TYR 3 10.047 0.595 2.984 30 HE2 TYR 3 HE1 TYR 3 13.458 -0.067 0.508 31 HH TYR 3 HH TYR 3 13.271 1.553 2.251 32 H GLY 4 HN GLY 4 9.044 -0.487 -3.952 33 HA2 GLY 4 HA1 GLY 4 9.924 2.249 -3.262 34 HA3 GLY 4 HA2 GLY 4 10.729 1.243 -4.457 35 H ASN 5 HN ASN 5 8.391 0.239 -5.730 36 HA ASN 5 HA ASN 5 6.975 0.741 -7.437 37 HB2 ASN 5 HB1 ASN 5 6.611 3.398 -6.038 38 HB3 ASN 5 HB2 ASN 5 5.515 2.660 -7.203 39 HD21 ASN 5 HD21 ASN 5 4.111 1.101 -6.547 40 HD22 ASN 5 HD22 ASN 5 3.899 0.639 -4.896 41 H GLY 6 HN GLY 6 9.161 0.798 -8.570 42 HA2 GLY 6 HA1 GLY 6 10.395 3.216 -9.289 43 HA3 GLY 6 HA2 GLY 6 10.506 1.710 -10.189 44 H VAL 7 HN VAL 7 9.454 4.871 -10.283 45 HA VAL 7 HA VAL 7 7.189 4.537 -12.013 46 HB VAL 7 HB VAL 7 8.834 7.036 -11.610 47 HG11 VAL 7 HG11 VAL 7 6.259 7.815 -11.973 48 HG12 VAL 7 HG12 VAL 7 7.465 7.718 -13.257 49 HG13 VAL 7 HG13 VAL 7 6.333 6.388 -13.006 50 HG21 VAL 7 HG21 VAL 7 8.212 6.801 -9.456 51 HG22 VAL 7 HG22 VAL 7 6.661 7.396 -10.047 52 HG23 VAL 7 HG23 VAL 7 6.920 5.664 -9.841 53 H HIS 8 HN HIS 8 10.546 4.410 -12.442 54 HA HIS 8 HA HIS 8 10.669 5.420 -15.116 55 HB2 HIS 8 HB1 HIS 8 12.586 3.696 -13.537 56 HB3 HIS 8 HB2 HIS 8 12.933 4.358 -15.131 57 HD1 HIS 8 HD1 HIS 8 12.089 5.589 -11.639 58 HD2 HIS 8 HD2 HIS 8 14.045 6.836 -15.086 59 HE1 HIS 8 HE1 HIS 8 13.155 7.788 -11.049 60 H SER 9 HN SER 9 11.526 2.133 -14.076 61 HA SER 9 HA SER 9 9.604 0.841 -15.723 62 HB2 SER 9 HB1 SER 9 10.821 1.403 -17.636 63 HB3 SER 9 HB2 SER 9 12.373 1.256 -16.811 64 HG SER 9 HG SER 9 11.970 -0.510 -18.212 65 H THR 10 HN THR 10 9.175 -0.765 -14.359 66 HA THR 10 HA THR 10 11.060 -1.890 -12.567 67 HB THR 10 HB THR 10 9.346 -3.451 -11.939 68 HG1 THR 10 HG1 THR 10 7.407 -3.585 -13.219 69 HG21 THR 10 HG21 THR 10 9.074 -0.817 -11.646 70 HG22 THR 10 HG22 THR 10 7.851 -1.955 -11.080 71 HG23 THR 10 HG23 THR 10 7.635 -1.121 -12.619 72 H LYS 11 HN LYS 11 10.528 -2.388 -15.859 73 HA LYS 11 HA LYS 11 10.975 -5.123 -16.186 74 HB2 LYS 11 HB1 LYS 11 10.256 -3.734 -18.035 75 HB3 LYS 11 HB2 LYS 11 11.747 -2.805 -17.965 76 HG2 LYS 11 HG1 LYS 11 11.809 -4.357 -19.813 77 HG3 LYS 11 HG2 LYS 11 13.013 -4.806 -18.602 78 HD2 LYS 11 HD1 LYS 11 11.448 -6.493 -17.714 79 HD3 LYS 11 HD2 LYS 11 10.297 -6.068 -18.982 80 HE2 LYS 11 HE1 LYS 11 11.823 -6.802 -20.687 81 HE3 LYS 11 HE2 LYS 11 13.097 -7.060 -19.496 82 HZ1 LYS 11 HZ1 LYS 11 12.026 -8.916 -18.638 83 HZ2 LYS 11 HZ2 LYS 11 11.784 -9.075 -20.304 84 HZ3 LYS 11 HZ3 LYS 11 10.531 -8.510 -19.318 85 H SER 12 HN SER 12 13.118 -2.612 -15.223 86 HA SER 12 HA SER 12 15.579 -3.679 -16.044 87 HB2 SER 12 HB1 SER 12 14.722 -1.773 -13.903 88 HB3 SER 12 HB2 SER 12 16.375 -2.386 -13.882 89 HG SER 12 HG SER 12 16.815 -1.076 -15.451 90 H GLY 13 HN GLY 13 13.369 -4.723 -13.653 91 HA2 GLY 13 HA1 GLY 13 14.161 -7.153 -13.078 92 HA3 GLY 13 HA2 GLY 13 15.412 -6.263 -12.223 93 H SER 14 HN SER 14 11.879 -6.540 -12.491 94 HA SER 14 HA SER 14 11.339 -5.243 -10.030 95 HB2 SER 14 HB1 SER 14 9.351 -5.262 -11.088 96 HB3 SER 14 HB2 SER 14 9.817 -6.626 -12.103 97 HG SER 14 HG SER 14 8.823 -7.938 -10.788 98 H SER 15 HN SER 15 11.596 -8.658 -10.948 99 HA SER 15 HA SER 15 10.966 -9.690 -8.386 100 HB2 SER 15 HB1 SER 15 12.443 -10.909 -10.727 101 HB3 SER 15 HB2 SER 15 12.000 -11.806 -9.274 102 HG SER 15 HG SER 15 10.318 -10.656 -11.226 103 H VAL 16 HN VAL 16 14.003 -8.866 -9.985 104 HA VAL 16 HA VAL 16 15.677 -9.873 -7.905 105 HB VAL 16 HB VAL 16 16.377 -7.796 -9.983 106 HG11 VAL 16 HG11 VAL 16 17.825 -8.685 -7.812 107 HG12 VAL 16 HG12 VAL 16 18.435 -9.671 -9.142 108 HG13 VAL 16 HG13 VAL 16 18.483 -7.911 -9.253 109 HG21 VAL 16 HG21 VAL 16 15.846 -9.457 -11.417 110 HG22 VAL 16 HG22 VAL 16 17.423 -10.086 -10.943 111 HG23 VAL 16 HG23 VAL 16 15.960 -10.709 -10.180 112 H ASN 17 HN ASN 17 14.278 -6.731 -8.666 113 HA ASN 17 HA ASN 17 15.720 -5.342 -6.611 114 HB2 ASN 17 HB1 ASN 17 13.375 -4.595 -8.357 115 HB3 ASN 17 HB2 ASN 17 14.018 -3.513 -7.125 116 HD21 ASN 17 HD21 ASN 17 14.088 -2.427 -9.440 117 HD22 ASN 17 HD22 ASN 17 15.647 -2.483 -10.183 118 H TRP 18 HN TRP 18 12.191 -5.569 -6.978 119 HA TRP 18 HA TRP 18 11.529 -5.055 -4.356 120 HB2 TRP 18 HB1 TRP 18 9.984 -6.977 -6.096 121 HB3 TRP 18 HB2 TRP 18 9.359 -5.918 -4.835 122 HD1 TRP 18 HD1 TRP 18 8.926 -6.091 -8.262 123 HE1 TRP 18 HE1 TRP 18 8.788 -3.802 -9.430 124 HE3 TRP 18 HE3 TRP 18 11.000 -3.187 -4.602 125 HZ2 TRP 18 HZ2 TRP 18 9.468 -1.119 -8.873 126 HZ3 TRP 18 HZ3 TRP 18 11.221 -0.768 -4.998 127 HH2 TRP 18 HH2 TRP 18 10.471 0.242 -7.091 128 H GLY 19 HN GLY 19 12.171 -8.205 -5.864 129 HA2 GLY 19 HA1 GLY 19 11.534 -9.892 -3.775 130 HA3 GLY 19 HA2 GLY 19 12.820 -10.202 -4.931 131 H GLU 20 HN GLU 20 14.642 -8.252 -4.331 132 HA GLU 20 HA GLU 20 15.932 -9.337 -2.068 133 HB2 GLU 20 HB1 GLU 20 16.705 -7.797 -4.206 134 HB3 GLU 20 HB2 GLU 20 16.818 -6.659 -2.872 135 HG2 GLU 20 HG1 GLU 20 17.996 -9.308 -2.382 136 HG3 GLU 20 HG2 GLU 20 18.794 -8.328 -3.611 137 H ALA 21 HN ALA 21 13.949 -6.480 -2.546 138 HA ALA 21 HA ALA 21 14.504 -5.242 -0.060 139 HB1 ALA 21 HB1 ALA 21 12.021 -4.977 -1.751 140 HB2 ALA 21 HB2 ALA 21 12.583 -3.852 -0.513 141 HB3 ALA 21 HB3 ALA 21 13.514 -4.069 -1.995 142 H PHE 22 HN PHE 22 11.598 -7.032 -1.112 143 HA PHE 22 HA PHE 22 10.435 -7.184 1.439 144 HB2 PHE 22 HB1 PHE 22 10.063 -9.063 -0.904 145 HB3 PHE 22 HB2 PHE 22 8.982 -8.911 0.477 146 HD1 PHE 22 HD2 PHE 22 8.914 -5.963 0.778 147 HD2 PHE 22 HD1 PHE 22 8.734 -8.414 -2.698 148 HE1 PHE 22 HE2 PHE 22 7.662 -4.201 -0.396 149 HE2 PHE 22 HE1 PHE 22 7.483 -6.655 -3.878 150 HZ PHE 22 HZ PHE 22 6.944 -4.545 -2.727 151 H SER 23 HN SER 23 12.916 -9.059 -0.085 152 HA SER 23 HA SER 23 12.744 -11.418 1.427 153 HB2 SER 23 HB1 SER 23 14.150 -11.608 -0.416 154 HB3 SER 23 HB2 SER 23 14.941 -10.064 -0.100 155 HG SER 23 HG SER 23 16.391 -11.124 0.967 156 H ALA 24 HN ALA 24 14.219 -8.309 2.097 157 HA ALA 24 HA ALA 24 15.851 -8.947 4.244 158 HB1 ALA 24 HB1 ALA 24 15.559 -6.707 3.058 159 HB2 ALA 24 HB2 ALA 24 14.212 -6.433 4.163 160 HB3 ALA 24 HB3 ALA 24 15.840 -6.670 4.799 161 H GLY 25 HN GLY 25 12.368 -8.631 4.096 162 HA2 GLY 25 HA1 GLY 25 12.129 -8.816 7.001 163 HA3 GLY 25 HA2 GLY 25 10.813 -8.568 5.863 164 H VAL 26 HN VAL 26 11.550 -10.763 4.129 165 HA VAL 26 HA VAL 26 10.026 -12.810 5.219 166 HB VAL 26 HB VAL 26 12.169 -13.049 3.102 167 HG11 VAL 26 HG11 VAL 26 10.166 -14.895 2.590 168 HG12 VAL 26 HG12 VAL 26 11.775 -15.238 3.230 169 HG13 VAL 26 HG13 VAL 26 10.418 -15.002 4.332 170 HG21 VAL 26 HG21 VAL 26 9.820 -11.579 3.048 171 HG22 VAL 26 HG22 VAL 26 10.767 -12.096 1.653 172 HG23 VAL 26 HG23 VAL 26 9.412 -13.077 2.210 173 H HIS 27 HN HIS 27 13.513 -12.301 5.311 174 HA HIS 27 HA HIS 27 14.232 -14.809 6.370 175 HB2 HIS 27 HB1 HIS 27 15.722 -12.929 5.380 176 HB3 HIS 27 HB2 HIS 27 15.724 -12.281 7.018 177 HD1 HIS 27 HD1 HIS 27 18.392 -13.058 6.032 178 HD2 HIS 27 HD2 HIS 27 15.844 -15.815 7.811 179 HE1 HIS 27 HE1 HIS 27 19.877 -14.915 6.850 180 H ARG 28 HN ARG 28 13.536 -11.709 7.964 181 HA ARG 28 HA ARG 28 13.971 -12.612 10.597 182 HB2 ARG 28 HB1 ARG 28 12.302 -10.342 9.512 183 HB3 ARG 28 HB2 ARG 28 12.560 -10.617 11.230 184 HG2 ARG 28 HG1 ARG 28 14.699 -10.050 9.187 185 HG3 ARG 28 HG2 ARG 28 14.065 -8.914 10.379 186 HD2 ARG 28 HD1 ARG 28 14.775 -10.714 12.103 187 HD3 ARG 28 HD2 ARG 28 15.780 -11.332 10.792 188 HE ARG 28 HE ARG 28 16.372 -8.674 10.900 189 HH11 ARG 28 HH11 ARG 28 16.405 -11.291 13.196 190 HH12 ARG 28 HH12 ARG 28 17.706 -10.629 14.129 191 HH21 ARG 28 HH21 ARG 28 18.086 -7.792 12.120 192 HH22 ARG 28 HH22 ARG 28 18.661 -8.639 13.516 193 H LEU 29 HN LEU 29 10.972 -12.257 8.717 194 HA LEU 29 HA LEU 29 9.225 -13.199 10.701 195 HB2 LEU 29 HB1 LEU 29 8.890 -13.460 7.719 196 HB3 LEU 29 HB2 LEU 29 7.613 -13.488 8.933 197 HG LEU 29 HG LEU 29 9.336 -11.061 8.607 198 HD11 LEU 29 HD11 LEU 29 7.666 -10.171 7.033 199 HD12 LEU 29 HD12 LEU 29 6.912 -11.763 6.959 200 HD13 LEU 29 HD13 LEU 29 8.559 -11.539 6.370 201 HD21 LEU 29 HD21 LEU 29 7.272 -9.959 9.401 202 HD22 LEU 29 HD22 LEU 29 7.903 -11.142 10.546 203 HD23 LEU 29 HD23 LEU 29 6.510 -11.543 9.541 204 H ALA 30 HN ALA 30 11.366 -14.852 8.543 205 HA ALA 30 HA ALA 30 10.206 -17.370 8.386 206 HB1 ALA 30 HB1 ALA 30 13.155 -17.162 8.738 207 HB2 ALA 30 HB2 ALA 30 12.219 -18.113 7.583 208 HB3 ALA 30 HB3 ALA 30 12.406 -16.375 7.348 209 H ASN 31 HN ASN 31 11.738 -15.792 11.064 210 HA ASN 31 HA ASN 31 12.102 -18.226 12.583 211 HB2 ASN 31 HB1 ASN 31 12.377 -15.326 13.403 212 HB3 ASN 31 HB2 ASN 31 12.838 -16.709 14.391 213 HD21 ASN 31 HD21 ASN 31 14.527 -18.101 13.576 214 HD22 ASN 31 HD22 ASN 31 15.767 -17.433 12.576 215 H GLY 32 HN GLY 32 9.714 -15.724 12.227 216 HA2 GLY 32 HA1 GLY 32 7.633 -17.144 13.372 217 HA3 GLY 32 HA2 GLY 32 8.328 -16.185 14.671 218 H GLY 33 HN GLY 33 6.725 -16.049 11.543 219 HA2 GLY 33 HA1 GLY 33 5.070 -13.920 12.148 220 HA3 GLY 33 HA2 GLY 33 6.517 -13.209 11.449 221 H ASN 34 HN ASN 34 5.040 -16.297 10.579 222 HA ASN 34 HA ASN 34 4.202 -17.085 8.618 223 HB2 ASN 34 HB1 ASN 34 2.611 -15.100 9.134 224 HB3 ASN 34 HB2 ASN 34 3.471 -14.276 7.836 225 HD21 ASN 34 HD21 ASN 34 1.060 -14.399 7.188 226 HD22 ASN 34 HD22 ASN 34 0.649 -15.716 6.148 227 H GLY 35 HN GLY 35 6.941 -16.514 8.675 228 HA2 GLY 35 HA1 GLY 35 7.645 -15.117 6.240 229 HA3 GLY 35 HA2 GLY 35 8.753 -15.922 7.342 230 H PHE 36 HN PHE 36 8.396 -18.416 7.368 231 HA PHE 36 HA PHE 36 7.741 -19.446 4.717 232 HB2 PHE 36 HB1 PHE 36 10.230 -18.816 4.880 233 HB3 PHE 36 HB2 PHE 36 10.373 -20.182 5.982 234 HD1 PHE 36 HD1 PHE 36 9.850 -22.475 5.164 235 HD2 PHE 36 HD2 PHE 36 10.106 -19.128 2.547 236 HE1 PHE 36 HE1 PHE 36 10.098 -23.997 3.247 237 HE2 PHE 36 HE2 PHE 36 10.353 -20.644 0.626 238 HZ PHE 36 HZ PHE 36 10.348 -23.082 0.974 239 H TRP 37 HN TRP 37 9.205 -20.443 7.814 240 HA TRP 37 HA TRP 37 8.936 -22.367 9.033 241 HB2 TRP 37 HB1 TRP 37 6.788 -22.550 9.987 242 HB3 TRP 37 HB2 TRP 37 6.933 -20.852 9.541 243 HD1 TRP 37 HD1 TRP 37 5.169 -19.894 7.889 244 HE1 TRP 37 HE1 TRP 37 3.126 -20.878 6.670 245 HE3 TRP 37 HE3 TRP 37 5.955 -24.851 8.860 246 HZ2 TRP 37 HZ2 TRP 37 1.997 -23.419 6.186 247 HZ3 TRP 37 HZ3 TRP 37 4.347 -26.494 7.984 248 HH2 TRP 37 HH2 TRP 37 2.409 -25.791 6.675 Start of MODEL 11 1 H1 LYS 1 HN LYS 1 6.359 0.007 -2.263 2 HA LYS 1 HA LYS 1 8.778 -1.241 -3.392 3 HB2 LYS 1 HB1 LYS 1 9.211 -2.159 -1.173 4 HB3 LYS 1 HB2 LYS 1 9.081 -0.406 -1.102 5 HG2 LYS 1 HG1 LYS 1 7.785 -0.877 0.677 6 HG3 LYS 1 HG2 LYS 1 6.541 -1.048 -0.564 7 HD2 LYS 1 HD1 LYS 1 6.248 -3.012 0.581 8 HD3 LYS 1 HD2 LYS 1 7.422 -3.529 -0.632 9 HE2 LYS 1 HE1 LYS 1 8.308 -4.377 1.336 10 HE3 LYS 1 HE2 LYS 1 9.187 -2.861 1.136 11 HZ1 LYS 1 HZ1 LYS 1 8.360 -2.089 3.029 12 HZ2 LYS 1 HZ2 LYS 1 7.771 -3.643 3.345 13 HZ3 LYS 1 HZ3 LYS 1 6.773 -2.494 2.605 14 H TYR 2 HN TYR 2 5.452 -1.620 -2.798 15 HA TYR 2 HA TYR 2 5.410 -4.480 -2.629 16 HB2 TYR 2 HB1 TYR 2 3.113 -2.682 -3.408 17 HB3 TYR 2 HB2 TYR 2 3.028 -4.290 -2.699 18 HD1 TYR 2 HD1 TYR 2 3.754 -4.610 -0.313 19 HD2 TYR 2 HD2 TYR 2 3.268 -0.755 -2.047 20 HE1 TYR 2 HE1 TYR 2 3.647 -3.618 1.935 21 HE2 TYR 2 HE2 TYR 2 3.161 0.247 0.196 22 HH TYR 2 HH TYR 2 4.105 -0.508 2.597 23 H TYR 3 HN TYR 3 3.518 -5.330 -4.362 24 HA TYR 3 HA TYR 3 4.988 -5.380 -6.856 25 HB2 TYR 3 HB1 TYR 3 4.183 -7.494 -6.066 26 HB3 TYR 3 HB2 TYR 3 2.547 -6.870 -5.883 27 HD1 TYR 3 HD2 TYR 3 4.888 -6.486 -8.753 28 HD2 TYR 3 HD1 TYR 3 1.266 -8.194 -7.316 29 HE1 TYR 3 HE2 TYR 3 4.350 -7.245 -11.029 30 HE2 TYR 3 HE1 TYR 3 0.718 -8.959 -9.588 31 HH TYR 3 HH TYR 3 1.812 -9.453 -11.678 32 H GLY 4 HN GLY 4 4.683 -3.374 -7.799 33 HA2 GLY 4 HA1 GLY 4 2.728 -2.963 -9.619 34 HA3 GLY 4 HA2 GLY 4 2.021 -2.300 -8.153 35 H ASN 5 HN ASN 5 4.640 -1.414 -7.134 36 HA ASN 5 HA ASN 5 5.627 0.498 -9.051 37 HB2 ASN 5 HB1 ASN 5 3.750 1.281 -6.868 38 HB3 ASN 5 HB2 ASN 5 5.093 2.361 -7.230 39 HD21 ASN 5 HD21 ASN 5 2.040 1.200 -8.210 40 HD22 ASN 5 HD22 ASN 5 1.881 2.153 -9.642 41 H GLY 6 HN GLY 6 7.716 0.897 -8.661 42 HA2 GLY 6 HA1 GLY 6 8.723 0.695 -5.912 43 HA3 GLY 6 HA2 GLY 6 9.440 -0.339 -7.139 44 H VAL 7 HN VAL 7 10.877 1.555 -5.626 45 HA VAL 7 HA VAL 7 11.271 3.941 -7.168 46 HB VAL 7 HB VAL 7 11.700 3.827 -4.720 47 HG11 VAL 7 HG11 VAL 7 13.740 2.804 -3.895 48 HG12 VAL 7 HG12 VAL 7 12.731 1.593 -4.688 49 HG13 VAL 7 HG13 VAL 7 14.143 2.247 -5.519 50 HG21 VAL 7 HG21 VAL 7 14.318 4.661 -5.374 51 HG22 VAL 7 HG22 VAL 7 13.286 5.064 -6.745 52 HG23 VAL 7 HG23 VAL 7 12.885 5.659 -5.134 53 H HIS 8 HN HIS 8 12.582 0.736 -7.170 54 HA HIS 8 HA HIS 8 14.991 1.367 -8.582 55 HB2 HIS 8 HB1 HIS 8 13.580 -1.297 -8.328 56 HB3 HIS 8 HB2 HIS 8 15.250 -1.044 -8.826 57 HD1 HIS 8 HD1 HIS 8 13.080 -1.296 -5.838 58 HD2 HIS 8 HD2 HIS 8 17.015 -0.301 -6.721 59 HE1 HIS 8 HE1 HIS 8 14.292 -1.328 -3.635 60 H SER 9 HN SER 9 15.476 0.978 -10.760 61 HA SER 9 HA SER 9 13.366 1.580 -12.576 62 HB2 SER 9 HB1 SER 9 16.264 0.834 -13.001 63 HB3 SER 9 HB2 SER 9 15.171 1.248 -14.321 64 HG SER 9 HG SER 9 15.435 2.982 -12.125 65 H THR 10 HN THR 10 12.350 0.308 -14.072 66 HA THR 10 HA THR 10 12.052 -2.443 -13.474 67 HB THR 10 HB THR 10 10.638 -2.550 -15.487 68 HG1 THR 10 HG1 THR 10 10.357 -0.415 -16.571 69 HG21 THR 10 HG21 THR 10 8.934 -1.522 -14.435 70 HG22 THR 10 HG22 THR 10 9.760 0.036 -14.416 71 HG23 THR 10 HG23 THR 10 10.127 -1.173 -13.186 72 H LYS 11 HN LYS 11 14.141 -0.694 -15.608 73 HA LYS 11 HA LYS 11 14.752 -2.611 -17.522 74 HB2 LYS 11 HB1 LYS 11 16.568 -0.554 -16.252 75 HB3 LYS 11 HB2 LYS 11 16.944 -1.451 -17.718 76 HG2 LYS 11 HG1 LYS 11 14.907 -0.466 -18.760 77 HG3 LYS 11 HG2 LYS 11 14.723 0.540 -17.321 78 HD2 LYS 11 HD1 LYS 11 17.144 1.276 -17.781 79 HD3 LYS 11 HD2 LYS 11 16.899 0.586 -19.388 80 HE2 LYS 11 HE1 LYS 11 16.427 2.966 -19.411 81 HE3 LYS 11 HE2 LYS 11 14.951 2.047 -19.702 82 HZ1 LYS 11 HZ1 LYS 11 15.656 2.946 -16.982 83 HZ2 LYS 11 HZ2 LYS 11 14.137 2.536 -17.604 84 HZ3 LYS 11 HZ3 LYS 11 14.873 3.990 -18.060 85 H SER 12 HN SER 12 16.159 -2.126 -14.303 86 HA SER 12 HA SER 12 18.124 -4.125 -14.473 87 HB2 SER 12 HB1 SER 12 16.712 -2.817 -12.158 88 HB3 SER 12 HB2 SER 12 17.894 -4.100 -11.899 89 HG SER 12 HG SER 12 19.432 -2.735 -12.318 90 H GLY 13 HN GLY 13 14.706 -4.278 -13.882 91 HA2 GLY 13 HA1 GLY 13 14.279 -6.881 -14.491 92 HA3 GLY 13 HA2 GLY 13 14.766 -6.957 -12.804 93 H SER 14 HN SER 14 12.174 -6.716 -14.856 94 HA SER 14 HA SER 14 10.453 -4.988 -13.418 95 HB2 SER 14 HB1 SER 14 9.892 -5.487 -15.687 96 HB3 SER 14 HB2 SER 14 9.910 -7.223 -15.378 97 HG SER 14 HG SER 14 7.850 -6.952 -15.065 98 H SER 15 HN SER 15 10.191 -8.532 -13.712 99 HA SER 15 HA SER 15 8.606 -8.715 -11.336 100 HB2 SER 15 HB1 SER 15 8.461 -10.260 -13.349 101 HB3 SER 15 HB2 SER 15 9.952 -11.005 -12.775 102 HG SER 15 HG SER 15 8.592 -12.190 -11.675 103 H VAL 16 HN VAL 16 11.980 -8.965 -12.090 104 HA VAL 16 HA VAL 16 12.802 -10.411 -9.792 105 HB VAL 16 HB VAL 16 14.449 -8.442 -11.381 106 HG11 VAL 16 HG11 VAL 16 16.272 -10.100 -10.669 107 HG12 VAL 16 HG12 VAL 16 15.652 -8.983 -9.452 108 HG13 VAL 16 HG13 VAL 16 15.106 -10.661 -9.472 109 HG21 VAL 16 HG21 VAL 16 13.669 -11.278 -11.935 110 HG22 VAL 16 HG22 VAL 16 13.695 -9.894 -13.028 111 HG23 VAL 16 HG23 VAL 16 15.208 -10.643 -12.516 112 H ASN 17 HN ASN 17 12.063 -7.068 -10.392 113 HA ASN 17 HA ASN 17 13.390 -6.019 -8.092 114 HB2 ASN 17 HB1 ASN 17 12.935 -4.545 -9.946 115 HB3 ASN 17 HB2 ASN 17 11.209 -4.885 -9.853 116 HD21 ASN 17 HD21 ASN 17 10.814 -2.655 -9.655 117 HD22 ASN 17 HD22 ASN 17 11.069 -1.830 -8.159 118 H TRP 18 HN TRP 18 9.949 -6.583 -8.838 119 HA TRP 18 HA TRP 18 8.866 -5.895 -6.396 120 HB2 TRP 18 HB1 TRP 18 7.879 -8.224 -8.042 121 HB3 TRP 18 HB2 TRP 18 6.936 -7.151 -7.011 122 HD1 TRP 18 HD1 TRP 18 7.052 -7.772 -10.427 123 HE1 TRP 18 HE1 TRP 18 6.713 -5.679 -11.886 124 HE3 TRP 18 HE3 TRP 18 8.035 -4.175 -6.930 125 HZ2 TRP 18 HZ2 TRP 18 6.845 -2.875 -11.594 126 HZ3 TRP 18 HZ3 TRP 18 7.907 -1.811 -7.601 127 HH2 TRP 18 HH2 TRP 18 7.324 -1.177 -9.886 128 H GLY 19 HN GLY 19 9.790 -9.189 -7.430 129 HA2 GLY 19 HA1 GLY 19 9.310 -10.467 -4.999 130 HA3 GLY 19 HA2 GLY 19 10.455 -11.017 -6.214 131 H GLU 20 HN GLU 20 12.118 -8.642 -6.067 132 HA GLU 20 HA GLU 20 13.882 -9.471 -4.026 133 HB2 GLU 20 HB1 GLU 20 13.782 -7.248 -5.991 134 HB3 GLU 20 HB2 GLU 20 14.831 -7.027 -4.597 135 HG2 GLU 20 HG1 GLU 20 16.109 -8.949 -5.146 136 HG3 GLU 20 HG2 GLU 20 14.950 -9.443 -6.379 137 H ALA 21 HN ALA 21 11.400 -7.010 -4.175 138 HA ALA 21 HA ALA 21 12.142 -5.554 -1.873 139 HB1 ALA 21 HB1 ALA 21 10.056 -5.484 -3.787 140 HB2 ALA 21 HB2 ALA 21 9.317 -5.493 -2.185 141 HB3 ALA 21 HB3 ALA 21 10.501 -4.254 -2.602 142 H PHE 22 HN PHE 22 9.528 -7.955 -2.272 143 HA PHE 22 HA PHE 22 8.942 -8.172 0.466 144 HB2 PHE 22 HB1 PHE 22 8.523 -10.246 -1.696 145 HB3 PHE 22 HB2 PHE 22 7.709 -10.197 -0.136 146 HD1 PHE 22 HD1 PHE 22 6.053 -8.446 0.343 147 HD2 PHE 22 HD2 PHE 22 7.835 -8.856 -3.500 148 HE1 PHE 22 HE1 PHE 22 4.274 -7.049 -0.627 149 HE2 PHE 22 HE2 PHE 22 6.060 -7.459 -4.476 150 HZ PHE 22 HZ PHE 22 4.277 -6.553 -3.039 151 H SER 23 HN SER 23 11.072 -10.071 -1.629 152 HA SER 23 HA SER 23 11.776 -12.104 0.103 153 HB2 SER 23 HB1 SER 23 12.535 -12.221 -2.154 154 HB3 SER 23 HB2 SER 23 13.391 -10.685 -2.019 155 HG SER 23 HG SER 23 14.155 -13.216 -1.225 156 H ALA 24 HN ALA 24 13.108 -8.836 -0.131 157 HA ALA 24 HA ALA 24 15.204 -9.147 1.710 158 HB1 ALA 24 HB1 ALA 24 13.642 -6.642 1.095 159 HB2 ALA 24 HB2 ALA 24 15.242 -6.725 1.832 160 HB3 ALA 24 HB3 ALA 24 15.011 -7.247 0.163 161 H GLY 25 HN GLY 25 11.782 -8.562 2.143 162 HA2 GLY 25 HA1 GLY 25 12.004 -7.822 4.914 163 HA3 GLY 25 HA2 GLY 25 10.520 -8.178 4.044 164 H VAL 26 HN VAL 26 11.724 -10.799 3.163 165 HA VAL 26 HA VAL 26 10.552 -12.459 5.058 166 HB VAL 26 HB VAL 26 12.764 -13.165 3.124 167 HG11 VAL 26 HG11 VAL 26 12.506 -14.846 4.868 168 HG12 VAL 26 HG12 VAL 26 10.772 -14.929 4.547 169 HG13 VAL 26 HG13 VAL 26 11.924 -15.457 3.320 170 HG21 VAL 26 HG21 VAL 26 11.027 -13.810 1.596 171 HG22 VAL 26 HG22 VAL 26 9.781 -13.452 2.791 172 HG23 VAL 26 HG23 VAL 26 10.740 -12.144 2.099 173 H HIS 27 HN HIS 27 13.701 -11.025 5.004 174 HA HIS 27 HA HIS 27 15.020 -12.808 6.760 175 HB2 HIS 27 HB1 HIS 27 15.961 -10.890 5.242 176 HB3 HIS 27 HB2 HIS 27 15.689 -9.887 6.664 177 HD1 HIS 27 HD1 HIS 27 18.401 -9.689 6.453 178 HD2 HIS 27 HD2 HIS 27 16.867 -13.335 7.723 179 HE1 HIS 27 HE1 HIS 27 20.328 -10.888 7.537 180 H ARG 28 HN ARG 28 12.899 -10.074 7.265 181 HA ARG 28 HA ARG 28 13.458 -9.761 10.045 182 HB2 ARG 28 HB1 ARG 28 11.304 -8.774 8.202 183 HB3 ARG 28 HB2 ARG 28 11.160 -8.543 9.940 184 HG2 ARG 28 HG1 ARG 28 13.485 -7.597 8.280 185 HG3 ARG 28 HG2 ARG 28 12.112 -6.596 8.755 186 HD2 ARG 28 HD1 ARG 28 12.751 -7.430 11.162 187 HD3 ARG 28 HD2 ARG 28 14.324 -7.707 10.416 188 HE ARG 28 HE ARG 28 13.622 -5.148 9.710 189 HH11 ARG 28 HH11 ARG 28 14.096 -6.892 12.686 190 HH12 ARG 28 HH12 ARG 28 14.613 -5.497 13.573 191 HH21 ARG 28 HH21 ARG 28 14.301 -3.304 10.868 192 HH22 ARG 28 HH22 ARG 28 14.728 -3.456 12.539 193 H LEU 29 HN LEU 29 11.357 -11.801 8.181 194 HA LEU 29 HA LEU 29 9.467 -12.478 10.136 195 HB2 LEU 29 HB1 LEU 29 10.531 -13.869 7.709 196 HB3 LEU 29 HB2 LEU 29 9.395 -14.687 8.781 197 HG LEU 29 HG LEU 29 8.491 -13.504 6.681 198 HD11 LEU 29 HD11 LEU 29 6.926 -12.456 8.904 199 HD12 LEU 29 HD12 LEU 29 7.393 -14.143 9.112 200 HD13 LEU 29 HD13 LEU 29 6.499 -13.646 7.675 201 HD21 LEU 29 HD21 LEU 29 7.990 -11.150 6.937 202 HD22 LEU 29 HD22 LEU 29 9.733 -11.405 7.031 203 HD23 LEU 29 HD23 LEU 29 8.802 -11.119 8.502 204 H ALA 30 HN ALA 30 12.574 -13.984 9.308 205 HA ALA 30 HA ALA 30 12.512 -16.149 11.027 206 HB1 ALA 30 HB1 ALA 30 14.764 -16.385 10.637 207 HB2 ALA 30 HB2 ALA 30 14.288 -15.375 9.271 208 HB3 ALA 30 HB3 ALA 30 15.064 -14.647 10.677 209 H ASN 31 HN ASN 31 12.997 -12.778 11.739 210 HA ASN 31 HA ASN 31 13.973 -13.269 14.417 211 HB2 ASN 31 HB1 ASN 31 14.459 -11.236 12.810 212 HB3 ASN 31 HB2 ASN 31 12.980 -10.593 13.518 213 HD21 ASN 31 HD21 ASN 31 16.081 -12.039 14.424 214 HD22 ASN 31 HD22 ASN 31 16.308 -11.083 15.845 215 H GLY 32 HN GLY 32 10.940 -12.603 12.836 216 HA2 GLY 32 HA1 GLY 32 9.625 -12.466 15.477 217 HA3 GLY 32 HA2 GLY 32 8.983 -11.732 14.015 218 H GLY 33 HN GLY 33 8.202 -13.147 12.321 219 HA2 GLY 33 HA1 GLY 33 6.883 -15.478 13.466 220 HA3 GLY 33 HA2 GLY 33 6.537 -14.744 11.907 221 H ASN 34 HN ASN 34 6.702 -16.436 10.546 222 HA ASN 34 HA ASN 34 9.014 -18.211 10.746 223 HB2 ASN 34 HB1 ASN 34 6.353 -18.356 9.396 224 HB3 ASN 34 HB2 ASN 34 7.681 -19.304 8.734 225 HD21 ASN 34 HD21 ASN 34 8.987 -20.393 10.635 226 HD22 ASN 34 HD22 ASN 34 7.999 -21.291 11.732 227 H GLY 35 HN GLY 35 7.293 -16.941 7.901 228 HA2 GLY 35 HA1 GLY 35 8.225 -15.449 6.296 229 HA3 GLY 35 HA2 GLY 35 9.826 -15.843 6.903 230 H PHE 36 HN PHE 36 7.602 -18.425 6.349 231 HA PHE 36 HA PHE 36 9.189 -19.229 4.007 232 HB2 PHE 36 HB1 PHE 36 7.745 -20.806 6.122 233 HB3 PHE 36 HB2 PHE 36 8.163 -21.536 4.575 234 HD1 PHE 36 HD2 PHE 36 10.775 -20.607 3.954 235 HD2 PHE 36 HD1 PHE 36 9.141 -21.589 7.760 236 HE1 PHE 36 HE2 PHE 36 13.035 -21.095 4.794 237 HE2 PHE 36 HE1 PHE 36 11.399 -22.077 8.607 238 HZ PHE 36 HZ PHE 36 13.350 -21.832 7.123 239 H TRP 37 HN TRP 37 5.945 -20.104 5.175 240 HA TRP 37 HA TRP 37 3.951 -20.304 4.095 241 HB2 TRP 37 HB1 TRP 37 4.821 -18.014 2.342 242 HB3 TRP 37 HB2 TRP 37 3.198 -18.414 2.897 243 HD1 TRP 37 HD1 TRP 37 5.716 -15.934 3.506 244 HE1 TRP 37 HE1 TRP 37 5.493 -14.872 5.840 245 HE3 TRP 37 HE3 TRP 37 2.623 -19.380 5.672 246 HZ2 TRP 37 HZ2 TRP 37 4.179 -15.423 8.278 247 HZ3 TRP 37 HZ3 TRP 37 1.930 -19.039 8.008 248 HH2 TRP 37 HH2 TRP 37 2.694 -17.102 9.283 Start of MODEL 12 1 H1 LYS 1 HN LYS 1 -1.707 -5.720 -7.490 2 HA LYS 1 HA LYS 1 0.665 -4.494 -8.144 3 HB2 LYS 1 HB1 LYS 1 -1.091 -4.163 -5.714 4 HB3 LYS 1 HB2 LYS 1 0.288 -3.120 -6.034 5 HG2 LYS 1 HG1 LYS 1 -0.703 -2.169 -7.907 6 HG3 LYS 1 HG2 LYS 1 -1.855 -3.495 -8.088 7 HD2 LYS 1 HD1 LYS 1 -3.086 -1.660 -7.237 8 HD3 LYS 1 HD2 LYS 1 -2.849 -2.764 -5.881 9 HE2 LYS 1 HE1 LYS 1 -2.348 -0.701 -4.951 10 HE3 LYS 1 HE2 LYS 1 -0.757 -1.325 -5.386 11 HZ1 LYS 1 HZ1 LYS 1 -1.806 1.087 -6.123 12 HZ2 LYS 1 HZ2 LYS 1 -1.955 0.146 -7.520 13 HZ3 LYS 1 HZ3 LYS 1 -0.440 0.346 -6.794 14 H TYR 2 HN TYR 2 2.616 -4.095 -6.995 15 HA TYR 2 HA TYR 2 3.608 -6.436 -5.632 16 HB2 TYR 2 HB1 TYR 2 5.095 -3.851 -6.082 17 HB3 TYR 2 HB2 TYR 2 5.769 -5.459 -5.841 18 HD1 TYR 2 HD1 TYR 2 5.815 -7.075 -7.658 19 HD2 TYR 2 HD2 TYR 2 4.195 -3.184 -8.237 20 HE1 TYR 2 HE1 TYR 2 5.892 -7.412 -10.093 21 HE2 TYR 2 HE2 TYR 2 4.267 -3.510 -10.674 22 HH TYR 2 HH TYR 2 4.431 -5.150 -12.308 23 H TYR 3 HN TYR 3 4.929 -6.192 -3.627 24 HA TYR 3 HA TYR 3 3.395 -4.681 -1.668 25 HB2 TYR 3 HB1 TYR 3 4.544 -7.196 -1.633 26 HB3 TYR 3 HB2 TYR 3 5.646 -6.240 -0.648 27 HD1 TYR 3 HD1 TYR 3 1.926 -6.336 -1.051 28 HD2 TYR 3 HD2 TYR 3 5.248 -6.541 1.598 29 HE1 TYR 3 HE1 TYR 3 0.385 -6.536 0.856 30 HE2 TYR 3 HE2 TYR 3 3.717 -6.743 3.512 31 HH TYR 3 HH TYR 3 0.341 -6.191 3.231 32 H GLY 4 HN GLY 4 5.610 -3.679 -3.623 33 HA2 GLY 4 HA1 GLY 4 6.588 -1.639 -1.898 34 HA3 GLY 4 HA2 GLY 4 7.844 -2.823 -2.228 35 H ASN 5 HN ASN 5 5.283 -1.509 -4.314 36 HA ASN 5 HA ASN 5 7.249 -1.029 -6.393 37 HB2 ASN 5 HB1 ASN 5 4.742 -1.943 -6.564 38 HB3 ASN 5 HB2 ASN 5 4.406 -0.224 -6.747 39 HD21 ASN 5 HD21 ASN 5 3.671 -0.812 -8.874 40 HD22 ASN 5 HD22 ASN 5 4.817 -0.992 -10.155 41 H GLY 6 HN GLY 6 8.431 0.770 -6.088 42 HA2 GLY 6 HA1 GLY 6 6.982 3.312 -5.965 43 HA3 GLY 6 HA2 GLY 6 8.177 2.994 -4.716 44 H VAL 7 HN VAL 7 10.237 1.866 -6.035 45 HA VAL 7 HA VAL 7 11.439 4.096 -7.318 46 HB VAL 7 HB VAL 7 12.484 1.271 -7.401 47 HG11 VAL 7 HG11 VAL 7 13.457 3.551 -8.531 48 HG12 VAL 7 HG12 VAL 7 14.304 3.528 -6.983 49 HG13 VAL 7 HG13 VAL 7 14.432 2.152 -8.080 50 HG21 VAL 7 HG21 VAL 7 12.282 1.360 -5.149 51 HG22 VAL 7 HG22 VAL 7 13.757 2.319 -5.280 52 HG23 VAL 7 HG23 VAL 7 12.195 3.121 -5.116 53 H HIS 8 HN HIS 8 9.672 1.350 -8.455 54 HA HIS 8 HA HIS 8 9.130 0.585 -10.533 55 HB2 HIS 8 HB1 HIS 8 9.296 3.554 -10.848 56 HB3 HIS 8 HB2 HIS 8 9.040 2.561 -12.279 57 HD1 HIS 8 HD1 HIS 8 7.499 1.689 -8.969 58 HD2 HIS 8 HD2 HIS 8 6.399 3.350 -12.615 59 HE1 HIS 8 HE1 HIS 8 4.986 1.793 -8.930 60 H SER 9 HN SER 9 11.994 0.657 -9.766 61 HA SER 9 HA SER 9 13.468 1.231 -12.165 62 HB2 SER 9 HB1 SER 9 14.118 0.136 -9.464 63 HB3 SER 9 HB2 SER 9 15.249 -0.169 -10.781 64 HG SER 9 HG SER 9 15.724 1.912 -10.884 65 H THR 10 HN THR 10 11.692 -0.270 -13.228 66 HA THR 10 HA THR 10 12.041 -3.077 -13.055 67 HB THR 10 HB THR 10 9.970 -2.252 -13.930 68 HG1 THR 10 HG1 THR 10 11.164 -4.159 -14.980 69 HG21 THR 10 HG21 THR 10 9.915 -0.393 -15.158 70 HG22 THR 10 HG22 THR 10 10.609 -1.295 -16.506 71 HG23 THR 10 HG23 THR 10 11.664 -0.449 -15.374 72 H LYS 11 HN LYS 11 13.612 -0.572 -14.898 73 HA LYS 11 HA LYS 11 14.734 -2.036 -16.973 74 HB2 LYS 11 HB1 LYS 11 16.599 -0.310 -16.851 75 HB3 LYS 11 HB2 LYS 11 14.966 0.314 -17.048 76 HG2 LYS 11 HG1 LYS 11 15.310 0.230 -14.308 77 HG3 LYS 11 HG2 LYS 11 16.880 0.756 -14.920 78 HD2 LYS 11 HD1 LYS 11 14.534 2.044 -16.154 79 HD3 LYS 11 HD2 LYS 11 14.802 2.420 -14.450 80 HE2 LYS 11 HE1 LYS 11 17.089 2.545 -16.365 81 HE3 LYS 11 HE2 LYS 11 15.922 3.866 -16.321 82 HZ1 LYS 11 HZ1 LYS 11 18.078 3.665 -14.725 83 HZ2 LYS 11 HZ2 LYS 11 16.867 3.034 -13.726 84 HZ3 LYS 11 HZ3 LYS 11 16.706 4.589 -14.372 85 H SER 12 HN SER 12 16.058 -1.424 -13.728 86 HA SER 12 HA SER 12 18.387 -3.007 -14.134 87 HB2 SER 12 HB1 SER 12 18.660 -2.806 -11.667 88 HB3 SER 12 HB2 SER 12 18.379 -1.252 -12.452 89 HG SER 12 HG SER 12 17.103 -1.535 -10.559 90 H GLY 13 HN GLY 13 15.129 -3.717 -13.249 91 HA2 GLY 13 HA1 GLY 13 14.904 -6.291 -13.706 92 HA3 GLY 13 HA2 GLY 13 15.853 -6.365 -12.228 93 H SER 14 HN SER 14 12.744 -6.095 -13.561 94 HA SER 14 HA SER 14 11.349 -4.805 -11.497 95 HB2 SER 14 HB1 SER 14 9.455 -6.460 -12.423 96 HB3 SER 14 HB2 SER 14 9.988 -5.041 -13.324 97 HG SER 14 HG SER 14 9.985 -6.897 -14.639 98 H SER 15 HN SER 15 11.357 -8.314 -12.144 99 HA SER 15 HA SER 15 10.394 -8.968 -9.558 100 HB2 SER 15 HB1 SER 15 10.892 -10.340 -11.995 101 HB3 SER 15 HB2 SER 15 11.761 -11.198 -10.723 102 HG SER 15 HG SER 15 9.919 -11.733 -9.801 103 H VAL 16 HN VAL 16 13.590 -8.689 -10.957 104 HA VAL 16 HA VAL 16 15.043 -10.017 -8.942 105 HB VAL 16 HB VAL 16 16.011 -7.713 -10.638 106 HG11 VAL 16 HG11 VAL 16 17.321 -9.714 -8.877 107 HG12 VAL 16 HG12 VAL 16 18.154 -9.245 -10.360 108 HG13 VAL 16 HG13 VAL 16 17.724 -8.021 -9.164 109 HG21 VAL 16 HG21 VAL 16 15.921 -10.666 -11.243 110 HG22 VAL 16 HG22 VAL 16 15.056 -9.383 -12.089 111 HG23 VAL 16 HG23 VAL 16 16.815 -9.475 -12.188 112 H ASN 17 HN ASN 17 13.994 -6.664 -9.291 113 HA ASN 17 HA ASN 17 15.378 -5.772 -6.939 114 HB2 ASN 17 HB1 ASN 17 14.903 -4.243 -8.812 115 HB3 ASN 17 HB2 ASN 17 13.176 -4.430 -8.523 116 HD21 ASN 17 HD21 ASN 17 15.697 -2.439 -8.046 117 HD22 ASN 17 HD22 ASN 17 15.163 -1.603 -6.632 118 H TRP 18 HN TRP 18 11.891 -5.613 -7.641 119 HA TRP 18 HA TRP 18 11.020 -5.374 -5.035 120 HB2 TRP 18 HB1 TRP 18 9.494 -6.899 -7.145 121 HB3 TRP 18 HB2 TRP 18 8.844 -5.945 -5.815 122 HD1 TRP 18 HD1 TRP 18 8.750 -5.657 -9.265 123 HE1 TRP 18 HE1 TRP 18 8.923 -3.238 -10.128 124 HE3 TRP 18 HE3 TRP 18 10.669 -3.436 -5.079 125 HZ2 TRP 18 HZ2 TRP 18 9.763 -0.722 -9.163 126 HZ3 TRP 18 HZ3 TRP 18 11.129 -1.019 -5.132 127 HH2 TRP 18 HH2 TRP 18 10.685 0.308 -7.133 128 H GLY 19 HN GLY 19 11.332 -8.375 -6.934 129 HA2 GLY 19 HA1 GLY 19 10.448 -10.194 -5.055 130 HA3 GLY 19 HA2 GLY 19 11.680 -10.543 -6.258 131 H GLU 20 HN GLU 20 13.753 -8.940 -5.445 132 HA GLU 20 HA GLU 20 14.896 -10.472 -3.377 133 HB2 GLU 20 HB1 GLU 20 15.683 -8.004 -4.862 134 HB3 GLU 20 HB2 GLU 20 16.570 -8.425 -3.403 135 HG2 GLU 20 HG1 GLU 20 16.155 -10.482 -5.521 136 HG3 GLU 20 HG2 GLU 20 17.395 -9.246 -5.728 137 H ALA 21 HN ALA 21 13.200 -7.410 -3.392 138 HA ALA 21 HA ALA 21 13.919 -6.578 -0.782 139 HB1 ALA 21 HB1 ALA 21 13.089 -4.830 -2.000 140 HB2 ALA 21 HB2 ALA 21 11.824 -5.805 -2.748 141 HB3 ALA 21 HB3 ALA 21 11.652 -5.271 -1.076 142 H PHE 22 HN PHE 22 10.997 -8.189 -2.032 143 HA PHE 22 HA PHE 22 9.806 -8.511 0.526 144 HB2 PHE 22 HB1 PHE 22 9.220 -10.195 -1.907 145 HB3 PHE 22 HB2 PHE 22 8.136 -9.798 -0.578 146 HD1 PHE 22 HD2 PHE 22 8.580 -6.888 -0.347 147 HD2 PHE 22 HD1 PHE 22 8.137 -9.361 -3.783 148 HE1 PHE 22 HE2 PHE 22 7.727 -4.963 -1.619 149 HE2 PHE 22 HE1 PHE 22 7.284 -7.439 -5.060 150 HZ PHE 22 HZ PHE 22 7.077 -5.237 -3.978 151 H SER 23 HN SER 23 11.699 -10.650 -1.566 152 HA SER 23 HA SER 23 11.487 -12.997 -0.085 153 HB2 SER 23 HB1 SER 23 12.468 -12.947 -2.325 154 HB3 SER 23 HB2 SER 23 13.834 -12.007 -1.724 155 HG SER 23 HG SER 23 14.722 -13.834 -1.235 156 H ALA 24 HN ALA 24 13.644 -10.242 0.309 157 HA ALA 24 HA ALA 24 15.411 -11.325 2.183 158 HB1 ALA 24 HB1 ALA 24 14.960 -8.580 2.797 159 HB2 ALA 24 HB2 ALA 24 16.324 -9.318 1.956 160 HB3 ALA 24 HB3 ALA 24 14.910 -8.787 1.046 161 H GLY 25 HN GLY 25 12.418 -9.459 2.720 162 HA2 GLY 25 HA1 GLY 25 12.433 -9.445 5.495 163 HA3 GLY 25 HA2 GLY 25 10.980 -9.407 4.507 164 H VAL 26 HN VAL 26 11.289 -11.961 3.295 165 HA VAL 26 HA VAL 26 9.997 -13.588 5.164 166 HB VAL 26 HB VAL 26 11.516 -14.533 2.730 167 HG11 VAL 26 HG11 VAL 26 10.938 -16.431 3.961 168 HG12 VAL 26 HG12 VAL 26 9.388 -15.749 4.460 169 HG13 VAL 26 HG13 VAL 26 9.628 -16.270 2.791 170 HG21 VAL 26 HG21 VAL 26 10.069 -13.369 1.508 171 HG22 VAL 26 HG22 VAL 26 8.779 -14.380 2.161 172 HG23 VAL 26 HG23 VAL 26 9.188 -12.856 2.947 173 H HIS 27 HN HIS 27 13.364 -13.688 4.016 174 HA HIS 27 HA HIS 27 14.169 -15.851 5.632 175 HB2 HIS 27 HB1 HIS 27 15.343 -14.668 3.596 176 HB3 HIS 27 HB2 HIS 27 16.098 -13.697 4.857 177 HD1 HIS 27 HD1 HIS 27 18.395 -14.766 4.171 178 HD2 HIS 27 HD2 HIS 27 15.603 -17.438 5.696 179 HE1 HIS 27 HE1 HIS 27 19.689 -16.852 4.720 180 H ARG 28 HN ARG 28 14.389 -12.341 6.113 181 HA ARG 28 HA ARG 28 15.756 -12.398 8.558 182 HB2 ARG 28 HB1 ARG 28 13.773 -10.357 7.535 183 HB3 ARG 28 HB2 ARG 28 14.876 -10.112 8.882 184 HG2 ARG 28 HG1 ARG 28 15.984 -10.889 6.230 185 HG3 ARG 28 HG2 ARG 28 15.457 -9.226 6.495 186 HD2 ARG 28 HD1 ARG 28 16.889 -9.461 8.683 187 HD3 ARG 28 HD2 ARG 28 17.680 -10.747 7.773 188 HE ARG 28 HE ARG 28 17.486 -8.347 6.254 189 HH11 ARG 28 HH11 ARG 28 19.290 -9.907 8.790 190 HH12 ARG 28 HH12 ARG 28 20.741 -9.009 8.490 191 HH21 ARG 28 HH21 ARG 28 19.390 -7.157 5.849 192 HH22 ARG 28 HH22 ARG 28 20.796 -7.444 6.817 193 H LEU 29 HN LEU 29 12.307 -12.529 7.813 194 HA LEU 29 HA LEU 29 11.376 -12.335 10.471 195 HB2 LEU 29 HB1 LEU 29 10.171 -13.500 7.975 196 HB3 LEU 29 HB2 LEU 29 9.312 -13.454 9.513 197 HG LEU 29 HG LEU 29 10.397 -10.905 8.421 198 HD11 LEU 29 HD11 LEU 29 7.702 -11.814 7.534 199 HD12 LEU 29 HD12 LEU 29 9.125 -12.318 6.624 200 HD13 LEU 29 HD13 LEU 29 8.773 -10.602 6.831 201 HD21 LEU 29 HD21 LEU 29 8.093 -11.782 10.127 202 HD22 LEU 29 HD22 LEU 29 8.126 -10.182 9.385 203 HD23 LEU 29 HD23 LEU 29 9.397 -10.658 10.512 204 H ALA 30 HN ALA 30 12.562 -14.999 8.555 205 HA ALA 30 HA ALA 30 11.561 -17.155 10.021 206 HB1 ALA 30 HB1 ALA 30 12.792 -17.205 7.805 207 HB2 ALA 30 HB2 ALA 30 14.282 -17.121 8.745 208 HB3 ALA 30 HB3 ALA 30 13.184 -18.486 8.952 209 H ASN 31 HN ASN 31 14.496 -15.227 10.492 210 HA ASN 31 HA ASN 31 15.190 -16.745 12.875 211 HB2 ASN 31 HB1 ASN 31 16.796 -15.699 11.042 212 HB3 ASN 31 HB2 ASN 31 16.664 -14.276 12.070 213 HD21 ASN 31 HD21 ASN 31 16.971 -14.785 14.464 214 HD22 ASN 31 HD22 ASN 31 18.296 -15.825 14.848 215 H GLY 32 HN GLY 32 13.690 -13.746 11.984 216 HA2 GLY 32 HA1 GLY 32 13.925 -12.620 14.653 217 HA3 GLY 32 HA2 GLY 32 13.121 -11.883 13.275 218 H GLY 33 HN GLY 33 10.963 -12.442 12.801 219 HA2 GLY 33 HA1 GLY 33 9.513 -13.411 15.154 220 HA3 GLY 33 HA2 GLY 33 8.823 -12.507 13.814 221 H ASN 34 HN ASN 34 8.175 -13.588 11.949 222 HA ASN 34 HA ASN 34 8.503 -16.472 11.807 223 HB2 ASN 34 HB1 ASN 34 5.811 -15.140 12.136 224 HB3 ASN 34 HB2 ASN 34 6.007 -16.777 11.518 225 HD21 ASN 34 HD21 ASN 34 5.626 -14.885 14.246 226 HD22 ASN 34 HD22 ASN 34 6.007 -16.072 15.442 227 H GLY 35 HN GLY 35 9.369 -16.549 9.819 228 HA2 GLY 35 HA1 GLY 35 8.162 -14.932 7.683 229 HA3 GLY 35 HA2 GLY 35 9.746 -15.692 7.624 230 H PHE 36 HN PHE 36 6.315 -16.160 7.234 231 HA PHE 36 HA PHE 36 6.786 -18.885 6.242 232 HB2 PHE 36 HB1 PHE 36 4.398 -19.250 6.501 233 HB3 PHE 36 HB2 PHE 36 5.061 -18.613 8.003 234 HD1 PHE 36 HD1 PHE 36 2.987 -17.856 5.072 235 HD2 PHE 36 HD2 PHE 36 4.420 -16.465 8.831 236 HE1 PHE 36 HE1 PHE 36 1.313 -16.053 5.039 237 HE2 PHE 36 HE2 PHE 36 2.748 -14.660 8.805 238 HZ PHE 36 HZ PHE 36 1.191 -14.453 6.908 239 H TRP 37 HN TRP 37 6.745 -15.870 5.064 240 HA TRP 37 HA TRP 37 5.082 -16.312 2.733 241 HB2 TRP 37 HB1 TRP 37 7.005 -14.028 3.179 242 HB3 TRP 37 HB2 TRP 37 5.596 -14.067 2.122 243 HD1 TRP 37 HD1 TRP 37 6.477 -13.955 5.879 244 HE1 TRP 37 HE1 TRP 37 4.495 -12.900 7.136 245 HE3 TRP 37 HE3 TRP 37 3.175 -13.551 1.996 246 HZ2 TRP 37 HZ2 TRP 37 1.878 -12.014 6.559 247 HZ3 TRP 37 HZ3 TRP 37 0.953 -12.589 2.433 248 HH2 TRP 37 HH2 TRP 37 0.320 -11.837 4.668 Start of MODEL 13 1 H1 LYS 1 HN LYS 1 1.866 -1.781 0.079 2 HA LYS 1 HA LYS 1 2.521 -0.829 -2.557 3 HB2 LYS 1 HB1 LYS 1 3.871 -0.358 0.107 4 HB3 LYS 1 HB2 LYS 1 4.264 0.484 -1.386 5 HG2 LYS 1 HG1 LYS 1 2.135 1.544 -1.442 6 HG3 LYS 1 HG2 LYS 1 1.538 0.542 -0.117 7 HD2 LYS 1 HD1 LYS 1 3.014 1.600 1.439 8 HD3 LYS 1 HD2 LYS 1 3.854 2.454 0.142 9 HE2 LYS 1 HE1 LYS 1 2.089 3.920 -0.205 10 HE3 LYS 1 HE2 LYS 1 0.916 2.844 0.551 11 HZ1 LYS 1 HZ1 LYS 1 3.017 3.724 2.317 12 HZ2 LYS 1 HZ2 LYS 1 1.345 3.673 2.566 13 HZ3 LYS 1 HZ3 LYS 1 2.038 4.980 1.745 14 H TYR 2 HN TYR 2 2.842 -3.655 -2.206 15 HA TYR 2 HA TYR 2 5.679 -4.169 -1.991 16 HB2 TYR 2 HB1 TYR 2 3.225 -5.824 -2.344 17 HB3 TYR 2 HB2 TYR 2 4.758 -6.504 -2.878 18 HD1 TYR 2 HD1 TYR 2 3.950 -4.357 0.065 19 HD2 TYR 2 HD2 TYR 2 5.339 -8.129 -1.328 20 HE1 TYR 2 HE1 TYR 2 4.456 -5.019 2.379 21 HE2 TYR 2 HE2 TYR 2 5.848 -8.802 0.982 22 HH TYR 2 HH TYR 2 4.654 -7.358 3.623 23 H TYR 3 HN TYR 3 3.524 -5.384 -4.521 24 HA TYR 3 HA TYR 3 5.603 -4.848 -6.495 25 HB2 TYR 3 HB1 TYR 3 4.479 -6.382 -7.914 26 HB3 TYR 3 HB2 TYR 3 4.413 -7.086 -6.302 27 HD1 TYR 3 HD1 TYR 3 2.293 -7.101 -5.041 28 HD2 TYR 3 HD2 TYR 3 2.484 -5.693 -9.051 29 HE1 TYR 3 HE1 TYR 3 -0.153 -7.282 -5.215 30 HE2 TYR 3 HE2 TYR 3 0.038 -5.868 -9.236 31 HH TYR 3 HH TYR 3 -1.801 -7.193 -8.120 32 H GLY 4 HN GLY 4 2.715 -3.474 -5.364 33 HA2 GLY 4 HA1 GLY 4 1.719 -2.342 -7.768 34 HA3 GLY 4 HA2 GLY 4 1.355 -1.792 -6.139 35 H ASN 5 HN ASN 5 4.520 -1.664 -6.020 36 HA ASN 5 HA ASN 5 4.967 0.735 -7.594 37 HB2 ASN 5 HB1 ASN 5 5.080 2.257 -5.909 38 HB3 ASN 5 HB2 ASN 5 3.964 1.145 -5.123 39 HD21 ASN 5 HD21 ASN 5 6.620 2.923 -4.623 40 HD22 ASN 5 HD22 ASN 5 7.378 2.007 -3.370 41 H GLY 6 HN GLY 6 7.100 1.079 -8.073 42 HA2 GLY 6 HA1 GLY 6 9.095 -0.584 -6.690 43 HA3 GLY 6 HA2 GLY 6 8.970 -0.665 -8.441 44 H VAL 7 HN VAL 7 10.358 0.942 -5.805 45 HA VAL 7 HA VAL 7 10.920 3.431 -7.116 46 HB VAL 7 HB VAL 7 12.269 2.248 -4.686 47 HG11 VAL 7 HG11 VAL 7 13.615 4.011 -4.903 48 HG12 VAL 7 HG12 VAL 7 12.611 4.715 -6.172 49 HG13 VAL 7 HG13 VAL 7 12.224 5.006 -4.476 50 HG21 VAL 7 HG21 VAL 7 10.019 2.354 -4.082 51 HG22 VAL 7 HG22 VAL 7 10.676 3.886 -3.505 52 HG23 VAL 7 HG23 VAL 7 9.743 3.834 -5.001 53 H HIS 8 HN HIS 8 12.388 0.307 -6.992 54 HA HIS 8 HA HIS 8 15.017 1.136 -7.761 55 HB2 HIS 8 HB1 HIS 8 13.714 -1.587 -7.970 56 HB3 HIS 8 HB2 HIS 8 15.437 -1.255 -8.124 57 HD1 HIS 8 HD1 HIS 8 14.891 0.891 -5.556 58 HD2 HIS 8 HD2 HIS 8 14.587 -3.248 -5.752 59 HE1 HIS 8 HE1 HIS 8 15.118 0.087 -3.184 60 H SER 9 HN SER 9 16.024 0.325 -9.818 61 HA SER 9 HA SER 9 14.555 1.360 -12.038 62 HB2 SER 9 HB1 SER 9 16.640 0.415 -13.302 63 HB3 SER 9 HB2 SER 9 16.839 1.785 -12.209 64 HG SER 9 HG SER 9 18.363 0.472 -11.485 65 H THR 10 HN THR 10 12.784 0.116 -12.491 66 HA THR 10 HA THR 10 12.795 -2.714 -12.601 67 HB THR 10 HB THR 10 10.600 -2.572 -13.529 68 HG1 THR 10 HG1 THR 10 10.075 -1.025 -14.873 69 HG21 THR 10 HG21 THR 10 9.550 -1.526 -11.795 70 HG22 THR 10 HG22 THR 10 10.541 -0.072 -11.928 71 HG23 THR 10 HG23 THR 10 11.193 -1.517 -11.156 72 H LYS 11 HN LYS 11 13.849 -0.303 -14.792 73 HA LYS 11 HA LYS 11 13.453 -1.485 -17.272 74 HB2 LYS 11 HB1 LYS 11 14.344 0.798 -16.922 75 HB3 LYS 11 HB2 LYS 11 15.865 0.104 -16.376 76 HG2 LYS 11 HG1 LYS 11 16.305 0.647 -18.577 77 HG3 LYS 11 HG2 LYS 11 15.896 -1.067 -18.674 78 HD2 LYS 11 HD1 LYS 11 13.622 -0.496 -19.351 79 HD3 LYS 11 HD2 LYS 11 14.003 1.222 -19.217 80 HE2 LYS 11 HE1 LYS 11 14.174 0.715 -21.510 81 HE3 LYS 11 HE2 LYS 11 15.834 0.800 -20.922 82 HZ1 LYS 11 HZ1 LYS 11 15.505 -1.110 -22.357 83 HZ2 LYS 11 HZ2 LYS 11 14.276 -1.692 -21.352 84 HZ3 LYS 11 HZ3 LYS 11 15.867 -1.614 -20.783 85 H SER 12 HN SER 12 16.349 -1.750 -15.205 86 HA SER 12 HA SER 12 17.657 -3.668 -16.783 87 HB2 SER 12 HB1 SER 12 18.670 -2.252 -14.936 88 HB3 SER 12 HB2 SER 12 17.957 -3.386 -13.790 89 HG SER 12 HG SER 12 19.251 -4.987 -14.562 90 H GLY 13 HN GLY 13 15.908 -4.144 -13.704 91 HA2 GLY 13 HA1 GLY 13 15.008 -6.753 -14.689 92 HA3 GLY 13 HA2 GLY 13 15.930 -6.714 -13.194 93 H SER 14 HN SER 14 12.915 -5.847 -14.736 94 HA SER 14 HA SER 14 11.725 -4.624 -12.463 95 HB2 SER 14 HB1 SER 14 9.612 -4.856 -13.707 96 HB3 SER 14 HB2 SER 14 10.892 -4.220 -14.739 97 HG SER 14 HG SER 14 10.516 -5.846 -15.996 98 H SER 15 HN SER 15 11.530 -7.888 -13.845 99 HA SER 15 HA SER 15 9.738 -8.905 -11.902 100 HB2 SER 15 HB1 SER 15 10.206 -9.916 -14.170 101 HB3 SER 15 HB2 SER 15 11.731 -10.509 -13.513 102 HG SER 15 HG SER 15 10.623 -12.117 -12.767 103 H VAL 16 HN VAL 16 13.269 -9.149 -12.247 104 HA VAL 16 HA VAL 16 13.708 -10.663 -9.912 105 HB VAL 16 HB VAL 16 15.344 -10.255 -11.822 106 HG11 VAL 16 HG11 VAL 16 15.116 -7.758 -11.699 107 HG12 VAL 16 HG12 VAL 16 16.070 -7.813 -10.215 108 HG13 VAL 16 HG13 VAL 16 16.774 -8.356 -11.739 109 HG21 VAL 16 HG21 VAL 16 15.851 -11.391 -9.641 110 HG22 VAL 16 HG22 VAL 16 17.241 -10.650 -10.435 111 HG23 VAL 16 HG23 VAL 16 16.479 -9.848 -9.061 112 H ASN 17 HN ASN 17 13.091 -7.301 -10.414 113 HA ASN 17 HA ASN 17 14.236 -6.300 -8.023 114 HB2 ASN 17 HB1 ASN 17 13.781 -4.710 -9.716 115 HB3 ASN 17 HB2 ASN 17 12.115 -5.253 -9.890 116 HD21 ASN 17 HD21 ASN 17 11.389 -3.127 -9.605 117 HD22 ASN 17 HD22 ASN 17 11.348 -2.390 -8.043 118 H TRP 18 HN TRP 18 10.941 -7.313 -8.871 119 HA TRP 18 HA TRP 18 9.732 -6.705 -6.420 120 HB2 TRP 18 HB1 TRP 18 8.920 -9.026 -8.164 121 HB3 TRP 18 HB2 TRP 18 7.896 -8.018 -7.145 122 HD1 TRP 18 HD1 TRP 18 8.049 -8.573 -10.542 123 HE1 TRP 18 HE1 TRP 18 7.688 -6.474 -11.986 124 HE3 TRP 18 HE3 TRP 18 8.977 -4.992 -7.014 125 HZ2 TRP 18 HZ2 TRP 18 7.784 -3.670 -11.672 126 HZ3 TRP 18 HZ3 TRP 18 8.822 -2.625 -7.667 127 HH2 TRP 18 HH2 TRP 18 8.238 -1.980 -9.949 128 H GLY 19 HN GLY 19 10.733 -9.932 -7.589 129 HA2 GLY 19 HA1 GLY 19 10.355 -11.333 -5.238 130 HA3 GLY 19 HA2 GLY 19 11.554 -11.752 -6.453 131 H GLU 20 HN GLU 20 13.385 -9.800 -6.325 132 HA GLU 20 HA GLU 20 14.907 -10.460 -4.076 133 HB2 GLU 20 HB1 GLU 20 15.115 -8.195 -6.052 134 HB3 GLU 20 HB2 GLU 20 16.285 -8.421 -4.760 135 HG2 GLU 20 HG1 GLU 20 15.637 -10.480 -6.856 136 HG3 GLU 20 HG2 GLU 20 16.998 -9.363 -6.930 137 H ALA 21 HN ALA 21 13.047 -7.514 -4.780 138 HA ALA 21 HA ALA 21 13.650 -6.053 -2.507 139 HB1 ALA 21 HB1 ALA 21 12.397 -5.172 -4.429 140 HB2 ALA 21 HB2 ALA 21 10.998 -6.128 -3.941 141 HB3 ALA 21 HB3 ALA 21 11.589 -4.836 -2.898 142 H PHE 22 HN PHE 22 10.755 -8.094 -2.972 143 HA PHE 22 HA PHE 22 9.869 -7.947 -0.320 144 HB2 PHE 22 HB1 PHE 22 9.410 -10.286 -2.173 145 HB3 PHE 22 HB2 PHE 22 8.371 -9.730 -0.864 146 HD1 PHE 22 HD2 PHE 22 8.401 -6.801 -1.427 147 HD2 PHE 22 HD1 PHE 22 7.991 -10.152 -4.019 148 HE1 PHE 22 HE2 PHE 22 7.140 -5.411 -3.018 149 HE2 PHE 22 HE1 PHE 22 6.730 -8.767 -5.615 150 HZ PHE 22 HZ PHE 22 6.302 -6.394 -5.115 151 H SER 23 HN SER 23 12.090 -10.163 -1.913 152 HA SER 23 HA SER 23 12.292 -12.104 0.085 153 HB2 SER 23 HB1 SER 23 13.274 -12.634 -1.995 154 HB3 SER 23 HB2 SER 23 14.219 -11.145 -2.025 155 HG SER 23 HG SER 23 14.824 -13.554 -0.929 156 H ALA 24 HN ALA 24 13.650 -8.911 -0.142 157 HA ALA 24 HA ALA 24 15.694 -9.195 1.793 158 HB1 ALA 24 HB1 ALA 24 14.338 -6.575 1.434 159 HB2 ALA 24 HB2 ALA 24 16.057 -6.957 1.532 160 HB3 ALA 24 HB3 ALA 24 15.165 -7.285 0.047 161 H GLY 25 HN GLY 25 12.261 -8.544 2.005 162 HA2 GLY 25 HA1 GLY 25 12.379 -7.792 4.796 163 HA3 GLY 25 HA2 GLY 25 10.926 -8.002 3.830 164 H VAL 26 HN VAL 26 11.954 -10.710 2.978 165 HA VAL 26 HA VAL 26 10.514 -12.287 4.749 166 HB VAL 26 HB VAL 26 12.805 -13.148 2.976 167 HG11 VAL 26 HG11 VAL 26 11.665 -15.365 3.051 168 HG12 VAL 26 HG12 VAL 26 12.367 -14.863 4.591 169 HG13 VAL 26 HG13 VAL 26 10.627 -14.733 4.329 170 HG21 VAL 26 HG21 VAL 26 10.996 -13.777 1.401 171 HG22 VAL 26 HG22 VAL 26 9.834 -12.995 2.473 172 HG23 VAL 26 HG23 VAL 26 11.093 -12.040 1.690 173 H HIS 27 HN HIS 27 13.923 -11.418 4.768 174 HA HIS 27 HA HIS 27 14.773 -13.236 6.744 175 HB2 HIS 27 HB1 HIS 27 16.231 -11.845 5.195 176 HB3 HIS 27 HB2 HIS 27 15.941 -10.491 6.284 177 HD1 HIS 27 HD1 HIS 27 17.948 -10.173 7.679 178 HD2 HIS 27 HD2 HIS 27 17.116 -14.199 7.083 179 HE1 HIS 27 HE1 HIS 27 19.681 -11.421 9.006 180 H ARG 28 HN ARG 28 13.564 -9.912 6.956 181 HA ARG 28 HA ARG 28 13.926 -9.614 9.738 182 HB2 ARG 28 HB1 ARG 28 11.831 -8.258 8.036 183 HB3 ARG 28 HB2 ARG 28 12.497 -7.683 9.558 184 HG2 ARG 28 HG1 ARG 28 14.078 -8.023 7.019 185 HG3 ARG 28 HG2 ARG 28 13.387 -6.501 7.584 186 HD2 ARG 28 HD1 ARG 28 14.722 -7.209 9.789 187 HD3 ARG 28 HD2 ARG 28 15.719 -8.024 8.586 188 HE ARG 28 HE ARG 28 16.541 -5.988 7.980 189 HH11 ARG 28 HH11 ARG 28 13.491 -5.515 9.591 190 HH12 ARG 28 HH12 ARG 28 13.600 -3.786 9.570 191 HH21 ARG 28 HH21 ARG 28 16.696 -3.713 7.947 192 HH22 ARG 28 HH22 ARG 28 15.423 -2.762 8.634 193 H LEU 29 HN LEU 29 11.183 -10.732 7.801 194 HA LEU 29 HA LEU 29 9.369 -10.995 9.956 195 HB2 LEU 29 HB1 LEU 29 9.430 -12.444 7.313 196 HB3 LEU 29 HB2 LEU 29 8.060 -12.387 8.420 197 HG LEU 29 HG LEU 29 9.199 -9.874 7.242 198 HD11 LEU 29 HD11 LEU 29 8.755 -11.221 5.322 199 HD12 LEU 29 HD12 LEU 29 7.431 -10.070 5.495 200 HD13 LEU 29 HD13 LEU 29 7.207 -11.749 5.983 201 HD21 LEU 29 HD21 LEU 29 6.871 -10.665 8.834 202 HD22 LEU 29 HD22 LEU 29 6.495 -9.611 7.471 203 HD23 LEU 29 HD23 LEU 29 7.668 -9.098 8.685 204 H ALA 30 HN ALA 30 11.646 -13.228 8.439 205 HA ALA 30 HA ALA 30 10.882 -15.588 9.699 206 HB1 ALA 30 HB1 ALA 30 12.851 -16.496 8.934 207 HB2 ALA 30 HB2 ALA 30 12.672 -15.110 7.857 208 HB3 ALA 30 HB3 ALA 30 13.774 -15.022 9.231 209 H ASN 31 HN ASN 31 12.579 -12.831 10.944 210 HA ASN 31 HA ASN 31 13.486 -14.240 13.318 211 HB2 ASN 31 HB1 ASN 31 14.802 -12.396 12.142 212 HB3 ASN 31 HB2 ASN 31 13.633 -11.268 12.821 213 HD21 ASN 31 HD21 ASN 31 15.480 -14.074 13.976 214 HD22 ASN 31 HD22 ASN 31 16.063 -13.310 15.412 215 H GLY 32 HN GLY 32 10.883 -12.172 12.302 216 HA2 GLY 32 HA1 GLY 32 9.495 -12.665 14.791 217 HA3 GLY 32 HA2 GLY 32 9.927 -10.981 14.530 218 H GLY 33 HN GLY 33 8.085 -13.697 13.236 219 HA2 GLY 33 HA1 GLY 33 5.737 -12.538 12.707 220 HA3 GLY 33 HA2 GLY 33 6.698 -11.971 11.349 221 H ASN 34 HN ASN 34 6.543 -13.151 9.572 222 HA ASN 34 HA ASN 34 6.346 -16.056 9.775 223 HB2 ASN 34 HB1 ASN 34 4.284 -14.270 8.505 224 HB3 ASN 34 HB2 ASN 34 4.510 -15.928 7.955 225 HD21 ASN 34 HD21 ASN 34 4.552 -17.562 9.795 226 HD22 ASN 34 HD22 ASN 34 3.336 -17.367 11.007 227 H GLY 35 HN GLY 35 8.451 -16.091 8.918 228 HA2 GLY 35 HA1 GLY 35 8.543 -15.508 6.029 229 HA3 GLY 35 HA2 GLY 35 9.862 -15.012 7.079 230 H PHE 36 HN PHE 36 8.023 -18.029 7.208 231 HA PHE 36 HA PHE 36 10.547 -19.486 6.884 232 HB2 PHE 36 HB1 PHE 36 7.866 -20.353 7.983 233 HB3 PHE 36 HB2 PHE 36 9.249 -21.426 7.794 234 HD1 PHE 36 HD2 PHE 36 11.192 -21.219 9.231 235 HD2 PHE 36 HD1 PHE 36 7.812 -18.675 9.709 236 HE1 PHE 36 HE2 PHE 36 12.016 -20.546 11.449 237 HE2 PHE 36 HE1 PHE 36 8.632 -17.998 11.928 238 HZ PHE 36 HZ PHE 36 10.736 -18.934 12.801 239 H TRP 37 HN TRP 37 7.467 -18.939 5.395 240 HA TRP 37 HA TRP 37 7.746 -21.174 3.564 241 HB2 TRP 37 HB1 TRP 37 5.634 -19.203 4.224 242 HB3 TRP 37 HB2 TRP 37 5.663 -19.782 2.561 243 HD1 TRP 37 HD1 TRP 37 6.516 -22.027 5.564 244 HE1 TRP 37 HE1 TRP 37 4.762 -23.907 5.695 245 HE3 TRP 37 HE3 TRP 37 3.324 -20.416 1.910 246 HZ2 TRP 37 HZ2 TRP 37 2.347 -24.613 4.417 247 HZ3 TRP 37 HZ3 TRP 37 1.316 -21.751 1.425 248 HH2 TRP 37 HH2 TRP 37 0.839 -23.807 2.654 Start of MODEL 14 1 H1 LYS 1 HN LYS 1 -0.305 -1.040 -2.452 2 HA LYS 1 HA LYS 1 2.366 0.153 -2.333 3 HB2 LYS 1 HB1 LYS 1 0.439 -0.858 -0.265 4 HB3 LYS 1 HB2 LYS 1 2.142 -0.663 0.128 5 HG2 LYS 1 HG1 LYS 1 1.322 1.357 0.800 6 HG3 LYS 1 HG2 LYS 1 1.777 1.736 -0.863 7 HD2 LYS 1 HD1 LYS 1 -0.394 2.636 -0.527 8 HD3 LYS 1 HD2 LYS 1 -0.595 1.190 -1.518 9 HE2 LYS 1 HE1 LYS 1 -1.397 -0.068 0.316 10 HE3 LYS 1 HE2 LYS 1 -0.878 1.153 1.476 11 HZ1 LYS 1 HZ1 LYS 1 -2.757 2.291 1.207 12 HZ2 LYS 1 HZ2 LYS 1 -3.374 0.914 0.445 13 HZ3 LYS 1 HZ3 LYS 1 -2.715 2.168 -0.479 14 H TYR 2 HN TYR 2 1.738 -2.273 -3.890 15 HA TYR 2 HA TYR 2 3.926 -3.888 -2.929 16 HB2 TYR 2 HB1 TYR 2 1.087 -4.847 -2.830 17 HB3 TYR 2 HB2 TYR 2 2.384 -5.990 -3.162 18 HD1 TYR 2 HD2 TYR 2 4.528 -5.312 -1.438 19 HD2 TYR 2 HD1 TYR 2 0.353 -5.050 -0.657 20 HE1 TYR 2 HE2 TYR 2 4.971 -5.515 0.973 21 HE2 TYR 2 HE1 TYR 2 0.785 -5.250 1.756 22 HH TYR 2 HH TYR 2 2.414 -5.956 3.282 23 H TYR 3 HN TYR 3 4.627 -5.470 -4.484 24 HA TYR 3 HA TYR 3 5.342 -5.812 -6.645 25 HB2 TYR 3 HB1 TYR 3 3.461 -6.730 -8.072 26 HB3 TYR 3 HB2 TYR 3 3.671 -7.500 -6.503 27 HD1 TYR 3 HD2 TYR 3 1.513 -5.348 -8.534 28 HD2 TYR 3 HD1 TYR 3 2.011 -7.232 -4.752 29 HE1 TYR 3 HE2 TYR 3 -0.850 -4.908 -8.010 30 HE2 TYR 3 HE1 TYR 3 -0.350 -6.798 -4.217 31 HH TYR 3 HH TYR 3 -2.260 -4.655 -5.936 32 H GLY 4 HN GLY 4 5.115 -3.081 -6.206 33 HA2 GLY 4 HA1 GLY 4 4.761 -2.157 -8.910 34 HA3 GLY 4 HA2 GLY 4 3.553 -1.524 -7.802 35 H ASN 5 HN ASN 5 5.234 -1.303 -5.515 36 HA ASN 5 HA ASN 5 6.523 1.192 -6.165 37 HB2 ASN 5 HB1 ASN 5 6.993 1.262 -3.698 38 HB3 ASN 5 HB2 ASN 5 5.287 1.105 -4.107 39 HD21 ASN 5 HD21 ASN 5 7.773 -0.085 -2.250 40 HD22 ASN 5 HD22 ASN 5 7.056 -1.580 -1.764 41 H GLY 6 HN GLY 6 8.087 0.057 -7.631 42 HA2 GLY 6 HA1 GLY 6 10.206 -1.430 -6.313 43 HA3 GLY 6 HA2 GLY 6 10.097 -1.064 -8.029 44 H VAL 7 HN VAL 7 11.897 -0.516 -5.377 45 HA VAL 7 HA VAL 7 12.427 2.282 -5.610 46 HB VAL 7 HB VAL 7 14.098 0.122 -4.316 47 HG11 VAL 7 HG11 VAL 7 15.619 1.682 -3.896 48 HG12 VAL 7 HG12 VAL 7 14.688 2.834 -4.855 49 HG13 VAL 7 HG13 VAL 7 14.398 2.692 -3.121 50 HG21 VAL 7 HG21 VAL 7 12.019 0.122 -3.213 51 HG22 VAL 7 HG22 VAL 7 13.074 1.118 -2.210 52 HG23 VAL 7 HG23 VAL 7 11.893 1.881 -3.275 53 H HIS 8 HN HIS 8 14.055 -0.658 -6.738 54 HA HIS 8 HA HIS 8 16.160 0.816 -8.035 55 HB2 HIS 8 HB1 HIS 8 15.384 -2.103 -8.105 56 HB3 HIS 8 HB2 HIS 8 16.778 -1.443 -8.955 57 HD1 HIS 8 HD1 HIS 8 15.487 -1.315 -5.368 58 HD2 HIS 8 HD2 HIS 8 19.020 -1.777 -7.504 59 HE1 HIS 8 HE1 HIS 8 17.282 -1.642 -3.636 60 H SER 9 HN SER 9 16.624 0.356 -10.402 61 HA SER 9 HA SER 9 14.360 1.229 -11.931 62 HB2 SER 9 HB1 SER 9 15.885 1.506 -13.741 63 HB3 SER 9 HB2 SER 9 16.771 1.960 -12.286 64 HG SER 9 HG SER 9 17.907 0.099 -12.380 65 H THR 10 HN THR 10 13.224 0.138 -13.488 66 HA THR 10 HA THR 10 12.957 -2.664 -13.192 67 HB THR 10 HB THR 10 11.490 -2.472 -15.257 68 HG1 THR 10 HG1 THR 10 11.266 -0.543 -16.201 69 HG21 THR 10 HG21 THR 10 10.049 -2.335 -13.543 70 HG22 THR 10 HG22 THR 10 10.050 -0.598 -13.849 71 HG23 THR 10 HG23 THR 10 11.115 -1.279 -12.619 72 H LYS 11 HN LYS 11 14.887 -0.676 -15.264 73 HA LYS 11 HA LYS 11 15.338 -2.358 -17.427 74 HB2 LYS 11 HB1 LYS 11 16.156 -0.096 -17.450 75 HB3 LYS 11 HB2 LYS 11 17.189 -0.402 -16.060 76 HG2 LYS 11 HG1 LYS 11 18.666 -1.733 -17.319 77 HG3 LYS 11 HG2 LYS 11 17.529 -1.858 -18.663 78 HD2 LYS 11 HD1 LYS 11 18.994 -0.270 -19.459 79 HD3 LYS 11 HD2 LYS 11 17.759 0.747 -18.713 80 HE2 LYS 11 HE1 LYS 11 20.109 -0.152 -17.103 81 HE3 LYS 11 HE2 LYS 11 20.293 1.182 -18.241 82 HZ1 LYS 11 HZ1 LYS 11 19.188 2.554 -16.901 83 HZ2 LYS 11 HZ2 LYS 11 19.402 1.394 -15.688 84 HZ3 LYS 11 HZ3 LYS 11 17.965 1.429 -16.581 85 H SER 12 HN SER 12 17.122 -2.173 -14.354 86 HA SER 12 HA SER 12 18.956 -4.225 -14.934 87 HB2 SER 12 HB1 SER 12 17.949 -3.051 -12.346 88 HB3 SER 12 HB2 SER 12 19.140 -4.351 -12.374 89 HG SER 12 HG SER 12 20.304 -2.494 -12.364 90 H GLY 13 HN GLY 13 15.663 -4.281 -13.810 91 HA2 GLY 13 HA1 GLY 13 15.241 -6.965 -14.448 92 HA3 GLY 13 HA2 GLY 13 15.624 -6.894 -12.734 93 H SER 14 HN SER 14 13.220 -6.482 -15.109 94 HA SER 14 HA SER 14 11.435 -4.781 -13.736 95 HB2 SER 14 HB1 SER 14 9.719 -6.129 -15.231 96 HB3 SER 14 HB2 SER 14 10.857 -4.997 -15.961 97 HG SER 14 HG SER 14 11.422 -6.669 -17.104 98 H SER 15 HN SER 15 11.141 -8.305 -14.217 99 HA SER 15 HA SER 15 9.222 -8.593 -12.140 100 HB2 SER 15 HB1 SER 15 9.539 -10.124 -14.151 101 HB3 SER 15 HB2 SER 15 10.918 -10.810 -13.293 102 HG SER 15 HG SER 15 8.210 -10.775 -12.447 103 H VAL 16 HN VAL 16 12.700 -8.801 -12.289 104 HA VAL 16 HA VAL 16 13.111 -10.165 -9.840 105 HB VAL 16 HB VAL 16 14.981 -8.233 -11.216 106 HG11 VAL 16 HG11 VAL 16 15.663 -8.674 -8.947 107 HG12 VAL 16 HG12 VAL 16 15.471 -10.412 -9.190 108 HG13 VAL 16 HG13 VAL 16 16.735 -9.534 -10.051 109 HG21 VAL 16 HG21 VAL 16 15.965 -10.228 -12.257 110 HG22 VAL 16 HG22 VAL 16 14.693 -11.220 -11.543 111 HG23 VAL 16 HG23 VAL 16 14.286 -9.994 -12.744 112 H ASN 17 HN ASN 17 12.412 -6.865 -10.642 113 HA ASN 17 HA ASN 17 13.329 -5.720 -8.191 114 HB2 ASN 17 HB1 ASN 17 13.112 -4.351 -10.199 115 HB3 ASN 17 HB2 ASN 17 11.381 -4.667 -10.253 116 HD21 ASN 17 HD21 ASN 17 13.690 -2.511 -9.322 117 HD22 ASN 17 HD22 ASN 17 12.778 -1.596 -8.175 118 H TRP 18 HN TRP 18 10.074 -6.429 -9.461 119 HA TRP 18 HA TRP 18 8.585 -5.701 -7.256 120 HB2 TRP 18 HB1 TRP 18 7.956 -8.121 -8.946 121 HB3 TRP 18 HB2 TRP 18 6.824 -7.051 -8.125 122 HD1 TRP 18 HD1 TRP 18 7.516 -7.782 -11.449 123 HE1 TRP 18 HE1 TRP 18 7.351 -5.755 -13.027 124 HE3 TRP 18 HE3 TRP 18 7.796 -4.033 -7.985 125 HZ2 TRP 18 HZ2 TRP 18 7.342 -2.940 -12.829 126 HZ3 TRP 18 HZ3 TRP 18 7.702 -1.700 -8.762 127 HH2 TRP 18 HH2 TRP 18 7.480 -1.167 -11.134 128 H GLY 19 HN GLY 19 10.194 -8.794 -7.902 129 HA2 GLY 19 HA1 GLY 19 9.228 -10.084 -5.554 130 HA3 GLY 19 HA2 GLY 19 10.572 -10.619 -6.552 131 H GLU 20 HN GLU 20 12.080 -8.157 -6.266 132 HA GLU 20 HA GLU 20 13.619 -8.802 -4.027 133 HB2 GLU 20 HB1 GLU 20 13.473 -6.474 -5.880 134 HB3 GLU 20 HB2 GLU 20 14.382 -6.281 -4.388 135 HG2 GLU 20 HG1 GLU 20 14.866 -8.577 -6.253 136 HG3 GLU 20 HG2 GLU 20 15.657 -7.016 -6.460 137 H ALA 21 HN ALA 21 10.929 -6.586 -4.411 138 HA ALA 21 HA ALA 21 11.192 -5.128 -2.038 139 HB1 ALA 21 HB1 ALA 21 8.567 -5.894 -3.293 140 HB2 ALA 21 HB2 ALA 21 8.943 -4.453 -2.347 141 HB3 ALA 21 HB3 ALA 21 9.630 -4.654 -3.959 142 H PHE 22 HN PHE 22 9.174 -8.002 -2.672 143 HA PHE 22 HA PHE 22 8.403 -8.322 0.041 144 HB2 PHE 22 HB1 PHE 22 8.401 -10.405 -2.153 145 HB3 PHE 22 HB2 PHE 22 7.464 -10.449 -0.663 146 HD1 PHE 22 HD1 PHE 22 5.534 -8.996 -0.363 147 HD2 PHE 22 HD2 PHE 22 7.741 -9.029 -4.003 148 HE1 PHE 22 HE1 PHE 22 3.685 -7.829 -1.491 149 HE2 PHE 22 HE2 PHE 22 5.895 -7.861 -5.136 150 HZ PHE 22 HZ PHE 22 3.864 -7.259 -3.880 151 H SER 23 HN SER 23 10.907 -9.803 -1.969 152 HA SER 23 HA SER 23 11.794 -11.775 -0.232 153 HB2 SER 23 HB1 SER 23 12.535 -11.337 -2.635 154 HB3 SER 23 HB2 SER 23 13.646 -10.141 -1.969 155 HG SER 23 HG SER 23 13.873 -12.833 -2.044 156 H ALA 24 HN ALA 24 12.296 -8.332 -0.147 157 HA ALA 24 HA ALA 24 14.510 -8.256 1.597 158 HB1 ALA 24 HB1 ALA 24 13.483 -6.367 0.193 159 HB2 ALA 24 HB2 ALA 24 12.383 -6.144 1.553 160 HB3 ALA 24 HB3 ALA 24 14.122 -5.965 1.787 161 H GLY 25 HN GLY 25 11.013 -8.226 2.203 162 HA2 GLY 25 HA1 GLY 25 11.296 -7.982 5.043 163 HA3 GLY 25 HA2 GLY 25 9.821 -8.375 4.173 164 H VAL 26 HN VAL 26 10.942 -10.673 2.809 165 HA VAL 26 HA VAL 26 10.253 -12.698 4.578 166 HB VAL 26 HB VAL 26 12.072 -12.915 2.176 167 HG11 VAL 26 HG11 VAL 26 12.313 -14.891 3.473 168 HG12 VAL 26 HG12 VAL 26 10.574 -14.992 3.761 169 HG13 VAL 26 HG13 VAL 26 11.220 -15.280 2.145 170 HG21 VAL 26 HG21 VAL 26 10.234 -12.311 1.055 171 HG22 VAL 26 HG22 VAL 26 9.606 -13.904 1.474 172 HG23 VAL 26 HG23 VAL 26 9.200 -12.507 2.470 173 H HIS 27 HN HIS 27 13.402 -11.284 3.885 174 HA HIS 27 HA HIS 27 14.986 -13.171 5.241 175 HB2 HIS 27 HB1 HIS 27 15.760 -11.336 3.652 176 HB3 HIS 27 HB2 HIS 27 15.621 -10.229 5.015 177 HD1 HIS 27 HD1 HIS 27 17.928 -9.760 5.767 178 HD2 HIS 27 HD2 HIS 27 17.378 -13.783 4.891 179 HE1 HIS 27 HE1 HIS 27 20.093 -10.883 6.378 180 H ARG 28 HN ARG 28 13.584 -10.092 6.334 181 HA ARG 28 HA ARG 28 14.600 -10.215 8.961 182 HB2 ARG 28 HB1 ARG 28 12.356 -8.714 7.655 183 HB3 ARG 28 HB2 ARG 28 12.563 -8.647 9.400 184 HG2 ARG 28 HG1 ARG 28 13.775 -6.822 8.795 185 HG3 ARG 28 HG2 ARG 28 15.043 -8.048 8.736 186 HD2 ARG 28 HD1 ARG 28 15.061 -8.106 6.426 187 HD3 ARG 28 HD2 ARG 28 13.419 -7.477 6.296 188 HE ARG 28 HE ARG 28 14.824 -5.425 7.398 189 HH11 ARG 28 HH11 ARG 28 15.197 -7.376 4.538 190 HH12 ARG 28 HH12 ARG 28 15.963 -6.120 3.623 191 HH21 ARG 28 HH21 ARG 28 15.832 -3.764 6.203 192 HH22 ARG 28 HH22 ARG 28 16.325 -4.066 4.571 193 H LEU 29 HN LEU 29 11.462 -11.174 7.600 194 HA LEU 29 HA LEU 29 10.328 -12.042 10.032 195 HB2 LEU 29 HB1 LEU 29 9.695 -13.038 7.260 196 HB3 LEU 29 HB2 LEU 29 8.654 -13.127 8.680 197 HG LEU 29 HG LEU 29 9.518 -10.445 7.709 198 HD11 LEU 29 HD11 LEU 29 8.834 -11.491 5.658 199 HD12 LEU 29 HD12 LEU 29 7.557 -10.401 6.194 200 HD13 LEU 29 HD13 LEU 29 7.384 -12.141 6.423 201 HD21 LEU 29 HD21 LEU 29 8.040 -11.164 9.792 202 HD22 LEU 29 HD22 LEU 29 6.767 -11.146 8.572 203 HD23 LEU 29 HD23 LEU 29 7.717 -9.691 8.877 204 H ALA 30 HN ALA 30 12.530 -13.524 7.802 205 HA ALA 30 HA ALA 30 12.166 -16.222 8.324 206 HB1 ALA 30 HB1 ALA 30 13.958 -16.464 7.025 207 HB2 ALA 30 HB2 ALA 30 13.991 -14.704 6.911 208 HB3 ALA 30 HB3 ALA 30 14.975 -15.527 8.121 209 H ASN 31 HN ASN 31 13.617 -13.747 10.298 210 HA ASN 31 HA ASN 31 14.801 -15.638 12.143 211 HB2 ASN 31 HB1 ASN 31 15.670 -13.264 11.541 212 HB3 ASN 31 HB2 ASN 31 14.461 -12.702 12.692 213 HD21 ASN 31 HD21 ASN 31 17.521 -14.164 12.266 214 HD22 ASN 31 HD22 ASN 31 17.930 -14.325 13.937 215 H GLY 32 HN GLY 32 11.875 -13.769 11.841 216 HA2 GLY 32 HA1 GLY 32 10.419 -15.280 13.669 217 HA3 GLY 32 HA2 GLY 32 11.042 -13.891 14.546 218 H GLY 33 HN GLY 33 8.675 -15.039 12.356 219 HA2 GLY 33 HA1 GLY 33 6.960 -12.870 12.700 220 HA3 GLY 33 HA2 GLY 33 7.854 -12.582 11.215 221 H ASN 34 HN ASN 34 6.594 -13.047 9.543 222 HA ASN 34 HA ASN 34 4.679 -15.243 9.741 223 HB2 ASN 34 HB1 ASN 34 5.044 -13.035 7.710 224 HB3 ASN 34 HB2 ASN 34 3.867 -14.332 7.527 225 HD21 ASN 34 HD21 ASN 34 4.811 -11.579 9.469 226 HD22 ASN 34 HD22 ASN 34 3.262 -11.313 10.187 227 H GLY 35 HN GLY 35 7.227 -14.104 7.522 228 HA2 GLY 35 HA1 GLY 35 7.193 -16.517 5.977 229 HA3 GLY 35 HA2 GLY 35 8.381 -15.227 5.868 230 H PHE 36 HN PHE 36 7.476 -18.153 7.589 231 HA PHE 36 HA PHE 36 10.165 -18.278 8.763 232 HB2 PHE 36 HB1 PHE 36 7.763 -18.672 9.974 233 HB3 PHE 36 HB2 PHE 36 8.180 -20.323 9.530 234 HD1 PHE 36 HD2 PHE 36 9.449 -17.333 11.317 235 HD2 PHE 36 HD1 PHE 36 9.702 -21.550 10.798 236 HE1 PHE 36 HE2 PHE 36 10.925 -17.483 13.279 237 HE2 PHE 36 HE1 PHE 36 11.178 -21.706 12.760 238 HZ PHE 36 HZ PHE 36 11.792 -19.671 14.003 239 H TRP 37 HN TRP 37 9.412 -18.894 5.943 240 HA TRP 37 HA TRP 37 10.650 -21.546 5.849 241 HB2 TRP 37 HB1 TRP 37 8.477 -20.978 3.882 242 HB3 TRP 37 HB2 TRP 37 9.044 -22.521 4.515 243 HD1 TRP 37 HD1 TRP 37 8.429 -22.746 7.350 244 HE1 TRP 37 HE1 TRP 37 6.128 -22.310 8.418 245 HE3 TRP 37 HE3 TRP 37 6.374 -19.831 3.687 246 HZ2 TRP 37 HZ2 TRP 37 3.755 -20.915 7.790 247 HZ3 TRP 37 HZ3 TRP 37 4.084 -18.987 3.998 248 HH2 TRP 37 HH2 TRP 37 2.803 -19.519 6.007 Start of MODEL 15 1 H1 LYS 1 HN LYS 1 3.347 -1.048 0.422 2 HA LYS 1 HA LYS 1 5.995 -1.607 1.456 3 HB2 LYS 1 HB1 LYS 1 3.217 -1.761 2.480 4 HB3 LYS 1 HB2 LYS 1 4.366 -2.905 3.162 5 HG2 LYS 1 HG1 LYS 1 4.537 -1.138 4.618 6 HG3 LYS 1 HG2 LYS 1 5.857 -0.802 3.495 7 HD2 LYS 1 HD1 LYS 1 3.179 0.334 2.882 8 HD3 LYS 1 HD2 LYS 1 4.105 1.060 4.198 9 HE2 LYS 1 HE1 LYS 1 5.701 1.880 2.802 10 HE3 LYS 1 HE2 LYS 1 5.545 0.544 1.662 11 HZ1 LYS 1 HZ1 LYS 1 4.388 1.923 0.392 12 HZ2 LYS 1 HZ2 LYS 1 4.323 3.108 1.598 13 HZ3 LYS 1 HZ3 LYS 1 3.150 1.889 1.545 14 H TYR 2 HN TYR 2 3.698 -3.151 -0.520 15 HA TYR 2 HA TYR 2 4.333 -5.856 0.156 16 HB2 TYR 2 HB1 TYR 2 2.922 -4.600 -2.197 17 HB3 TYR 2 HB2 TYR 2 3.176 -6.336 -2.060 18 HD1 TYR 2 HD1 TYR 2 2.659 -6.872 0.752 19 HD2 TYR 2 HD2 TYR 2 0.653 -4.226 -1.909 20 HE1 TYR 2 HE1 TYR 2 0.617 -7.067 2.108 21 HE2 TYR 2 HE2 TYR 2 -1.395 -4.413 -0.559 22 HH TYR 2 HH TYR 2 -2.354 -6.253 1.083 23 H TYR 3 HN TYR 3 4.746 -4.382 -3.045 24 HA TYR 3 HA TYR 3 7.184 -5.943 -3.404 25 HB2 TYR 3 HB1 TYR 3 6.944 -5.558 -5.731 26 HB3 TYR 3 HB2 TYR 3 5.318 -5.862 -5.129 27 HD1 TYR 3 HD2 TYR 3 3.818 -3.853 -4.675 28 HD2 TYR 3 HD1 TYR 3 7.443 -3.577 -6.885 29 HE1 TYR 3 HE2 TYR 3 3.055 -1.728 -5.651 30 HE2 TYR 3 HE1 TYR 3 6.691 -1.450 -7.865 31 HH TYR 3 HH TYR 3 3.889 0.214 -6.713 32 H GLY 4 HN GLY 4 6.863 -3.366 -1.780 33 HA2 GLY 4 HA1 GLY 4 8.465 -1.783 -1.199 34 HA3 GLY 4 HA2 GLY 4 9.373 -2.212 -2.642 35 H ASN 5 HN ASN 5 6.110 -1.608 -3.294 36 HA ASN 5 HA ASN 5 5.187 -0.027 -4.679 37 HB2 ASN 5 HB1 ASN 5 5.054 2.193 -3.624 38 HB3 ASN 5 HB2 ASN 5 4.788 0.907 -2.450 39 HD21 ASN 5 HD21 ASN 5 6.747 3.550 -3.384 40 HD22 ASN 5 HD22 ASN 5 7.847 3.496 -2.053 41 H GLY 6 HN GLY 6 7.722 -0.794 -5.610 42 HA2 GLY 6 HA1 GLY 6 8.643 1.754 -6.787 43 HA3 GLY 6 HA2 GLY 6 9.778 0.513 -6.278 44 H VAL 7 HN VAL 7 7.555 1.538 -8.717 45 HA VAL 7 HA VAL 7 7.607 -0.896 -10.230 46 HB VAL 7 HB VAL 7 6.583 0.470 -12.037 47 HG11 VAL 7 HG11 VAL 7 4.551 0.264 -11.094 48 HG12 VAL 7 HG12 VAL 7 5.452 -0.447 -9.752 49 HG13 VAL 7 HG13 VAL 7 4.984 1.253 -9.700 50 HG21 VAL 7 HG21 VAL 7 7.713 2.604 -10.562 51 HG22 VAL 7 HG22 VAL 7 6.808 2.680 -12.074 52 HG23 VAL 7 HG23 VAL 7 5.961 2.807 -10.531 53 H HIS 8 HN HIS 8 9.597 1.926 -10.001 54 HA HIS 8 HA HIS 8 10.877 1.634 -12.544 55 HB2 HIS 8 HB1 HIS 8 11.934 3.101 -10.123 56 HB3 HIS 8 HB2 HIS 8 12.365 3.370 -11.810 57 HD1 HIS 8 HD1 HIS 8 9.574 3.953 -9.357 58 HD2 HIS 8 HD2 HIS 8 10.667 5.044 -13.214 59 HE1 HIS 8 HE1 HIS 8 7.975 5.778 -10.018 60 H SER 9 HN SER 9 13.546 1.784 -12.082 61 HA SER 9 HA SER 9 15.412 0.532 -11.728 62 HB2 SER 9 HB1 SER 9 14.560 0.778 -9.311 63 HB3 SER 9 HB2 SER 9 13.975 -0.877 -9.483 64 HG SER 9 HG SER 9 16.032 -1.592 -9.698 65 H THR 10 HN THR 10 13.188 -0.407 -13.430 66 HA THR 10 HA THR 10 12.894 -3.207 -13.213 67 HB THR 10 HB THR 10 12.106 -3.134 -15.548 68 HG1 THR 10 HG1 THR 10 12.156 -1.155 -16.661 69 HG21 THR 10 HG21 THR 10 10.839 -2.161 -13.401 70 HG22 THR 10 HG22 THR 10 10.121 -2.157 -15.012 71 HG23 THR 10 HG23 THR 10 10.884 -0.697 -14.383 72 H LYS 11 HN LYS 11 15.401 -1.202 -14.505 73 HA LYS 11 HA LYS 11 16.612 -2.905 -16.338 74 HB2 LYS 11 HB1 LYS 11 17.295 -0.579 -16.048 75 HB3 LYS 11 HB2 LYS 11 17.908 -0.940 -14.440 76 HG2 LYS 11 HG1 LYS 11 19.656 -2.296 -15.330 77 HG3 LYS 11 HG2 LYS 11 18.968 -2.209 -16.953 78 HD2 LYS 11 HD1 LYS 11 19.416 0.174 -17.044 79 HD3 LYS 11 HD2 LYS 11 20.019 0.147 -15.385 80 HE2 LYS 11 HE1 LYS 11 21.747 -1.518 -16.178 81 HE3 LYS 11 HE2 LYS 11 21.231 -1.142 -17.821 82 HZ1 LYS 11 HZ1 LYS 11 22.111 0.958 -15.932 83 HZ2 LYS 11 HZ2 LYS 11 21.964 1.058 -17.614 84 HZ3 LYS 11 HZ3 LYS 11 23.203 0.132 -16.927 85 H SER 12 HN SER 12 17.002 -2.728 -12.823 86 HA SER 12 HA SER 12 19.067 -4.618 -12.593 87 HB2 SER 12 HB1 SER 12 18.427 -3.094 -10.765 88 HB3 SER 12 HB2 SER 12 16.894 -3.949 -10.592 89 HG SER 12 HG SER 12 18.742 -4.554 -9.158 90 H GLY 13 HN GLY 13 15.651 -4.965 -13.086 91 HA2 GLY 13 HA1 GLY 13 15.560 -7.468 -14.059 92 HA3 GLY 13 HA2 GLY 13 15.616 -7.765 -12.328 93 H SER 14 HN SER 14 13.547 -7.808 -14.728 94 HA SER 14 HA SER 14 11.417 -6.143 -13.865 95 HB2 SER 14 HB1 SER 14 11.512 -6.953 -16.160 96 HB3 SER 14 HB2 SER 14 11.392 -8.623 -15.604 97 HG SER 14 HG SER 14 9.393 -7.469 -16.348 98 H SER 15 HN SER 15 11.532 -9.707 -13.854 99 HA SER 15 HA SER 15 9.500 -9.863 -11.840 100 HB2 SER 15 HB1 SER 15 10.182 -11.560 -13.766 101 HB3 SER 15 HB2 SER 15 11.216 -12.218 -12.498 102 HG SER 15 HG SER 15 8.503 -11.689 -11.978 103 H VAL 16 HN VAL 16 12.965 -9.827 -11.878 104 HA VAL 16 HA VAL 16 13.406 -11.013 -9.336 105 HB VAL 16 HB VAL 16 15.184 -9.020 -10.745 106 HG11 VAL 16 HG11 VAL 16 16.497 -9.278 -8.973 107 HG12 VAL 16 HG12 VAL 16 15.395 -10.466 -8.276 108 HG13 VAL 16 HG13 VAL 16 16.662 -10.983 -9.389 109 HG21 VAL 16 HG21 VAL 16 16.339 -11.129 -11.570 110 HG22 VAL 16 HG22 VAL 16 14.868 -11.988 -11.113 111 HG23 VAL 16 HG23 VAL 16 14.803 -10.718 -12.334 112 H ASN 17 HN ASN 17 12.570 -7.802 -10.390 113 HA ASN 17 HA ASN 17 13.306 -6.445 -7.999 114 HB2 ASN 17 HB1 ASN 17 13.089 -5.125 -9.969 115 HB3 ASN 17 HB2 ASN 17 11.465 -5.732 -10.281 116 HD21 ASN 17 HD21 ASN 17 10.771 -3.553 -10.403 117 HD22 ASN 17 HD22 ASN 17 10.487 -2.636 -8.967 118 H TRP 18 HN TRP 18 10.203 -7.645 -9.255 119 HA TRP 18 HA TRP 18 8.599 -6.831 -7.120 120 HB2 TRP 18 HB1 TRP 18 8.138 -9.367 -8.683 121 HB3 TRP 18 HB2 TRP 18 6.938 -8.293 -7.971 122 HD1 TRP 18 HD1 TRP 18 7.708 -9.222 -11.212 123 HE1 TRP 18 HE1 TRP 18 7.529 -7.317 -12.933 124 HE3 TRP 18 HE3 TRP 18 7.854 -5.230 -8.021 125 HZ2 TRP 18 HZ2 TRP 18 7.459 -4.495 -12.937 126 HZ3 TRP 18 HZ3 TRP 18 7.726 -2.962 -8.964 127 HH2 TRP 18 HH2 TRP 18 7.534 -2.603 -11.372 128 H GLY 19 HN GLY 19 10.478 -9.792 -7.589 129 HA2 GLY 19 HA1 GLY 19 9.546 -11.000 -5.153 130 HA3 GLY 19 HA2 GLY 19 10.856 -11.580 -6.172 131 H GLU 20 HN GLU 20 12.461 -9.252 -6.136 132 HA GLU 20 HA GLU 20 14.034 -9.691 -3.897 133 HB2 GLU 20 HB1 GLU 20 13.860 -7.553 -5.952 134 HB3 GLU 20 HB2 GLU 20 14.770 -7.185 -4.494 135 HG2 GLU 20 HG1 GLU 20 16.268 -8.990 -4.876 136 HG3 GLU 20 HG2 GLU 20 15.268 -9.619 -6.183 137 H ALA 21 HN ALA 21 11.244 -7.661 -4.290 138 HA ALA 21 HA ALA 21 11.642 -5.970 -2.055 139 HB1 ALA 21 HB1 ALA 21 8.921 -6.110 -2.339 140 HB2 ALA 21 HB2 ALA 21 9.989 -5.010 -3.212 141 HB3 ALA 21 HB3 ALA 21 9.498 -6.533 -3.951 142 H PHE 22 HN PHE 22 9.446 -8.762 -2.434 143 HA PHE 22 HA PHE 22 8.839 -8.918 0.330 144 HB2 PHE 22 HB1 PHE 22 8.578 -11.092 -1.756 145 HB3 PHE 22 HB2 PHE 22 7.736 -11.014 -0.212 146 HD1 PHE 22 HD2 PHE 22 6.007 -9.276 0.159 147 HD2 PHE 22 HD1 PHE 22 7.792 -9.920 -3.651 148 HE1 PHE 22 HE2 PHE 22 4.161 -8.049 -0.909 149 HE2 PHE 22 HE1 PHE 22 5.949 -8.693 -4.725 150 HZ PHE 22 HZ PHE 22 4.130 -7.757 -3.354 151 H SER 23 HN SER 23 11.371 -10.235 -1.646 152 HA SER 23 HA SER 23 12.194 -12.374 -0.036 153 HB2 SER 23 HB1 SER 23 13.213 -12.381 -2.118 154 HB3 SER 23 HB2 SER 23 13.539 -10.649 -2.081 155 HG SER 23 HG SER 23 15.248 -12.493 -1.576 156 H ALA 24 HN ALA 24 13.013 -8.940 0.065 157 HA ALA 24 HA ALA 24 15.026 -9.108 2.030 158 HB1 ALA 24 HB1 ALA 24 14.155 -6.629 2.426 159 HB2 ALA 24 HB2 ALA 24 15.107 -7.078 1.010 160 HB3 ALA 24 HB3 ALA 24 13.353 -6.944 0.888 161 H GLY 25 HN GLY 25 11.535 -8.477 2.281 162 HA2 GLY 25 HA1 GLY 25 11.433 -8.042 5.046 163 HA3 GLY 25 HA2 GLY 25 10.096 -8.619 4.062 164 H VAL 26 HN VAL 26 11.511 -11.026 3.204 165 HA VAL 26 HA VAL 26 10.628 -12.815 5.148 166 HB VAL 26 HB VAL 26 12.747 -13.281 3.045 167 HG11 VAL 26 HG11 VAL 26 13.006 -15.213 4.160 168 HG12 VAL 26 HG12 VAL 26 11.491 -15.021 5.046 169 HG13 VAL 26 HG13 VAL 26 11.478 -15.658 3.401 170 HG21 VAL 26 HG21 VAL 26 10.225 -14.441 2.415 171 HG22 VAL 26 HG22 VAL 26 9.979 -12.737 2.799 172 HG23 VAL 26 HG23 VAL 26 11.119 -13.200 1.536 173 H HIS 27 HN HIS 27 13.858 -11.491 4.571 174 HA HIS 27 HA HIS 27 15.237 -13.059 6.453 175 HB2 HIS 27 HB1 HIS 27 15.918 -10.225 5.657 176 HB3 HIS 27 HB2 HIS 27 17.022 -11.457 6.260 177 HD1 HIS 27 HD1 HIS 27 17.154 -9.904 3.446 178 HD2 HIS 27 HD2 HIS 27 15.905 -13.813 4.098 179 HE1 HIS 27 HE1 HIS 27 17.471 -11.087 1.250 180 H ARG 28 HN ARG 28 13.595 -9.939 6.746 181 HA ARG 28 HA ARG 28 14.365 -9.446 9.427 182 HB2 ARG 28 HB1 ARG 28 13.300 -7.879 7.586 183 HB3 ARG 28 HB2 ARG 28 11.793 -8.389 8.336 184 HG2 ARG 28 HG1 ARG 28 12.329 -6.409 9.427 185 HG3 ARG 28 HG2 ARG 28 12.866 -7.666 10.544 186 HD2 ARG 28 HD1 ARG 28 14.693 -6.279 10.550 187 HD3 ARG 28 HD2 ARG 28 15.136 -7.400 9.264 188 HE ARG 28 HE ARG 28 13.769 -5.280 8.091 189 HH11 ARG 28 HH11 ARG 28 16.735 -5.834 9.827 190 HH12 ARG 28 HH12 ARG 28 17.585 -4.540 9.048 191 HH21 ARG 28 HH21 ARG 28 14.877 -3.574 7.058 192 HH22 ARG 28 HH22 ARG 28 16.527 -3.255 7.474 193 H LEU 29 HN LEU 29 11.479 -10.908 7.977 194 HA LEU 29 HA LEU 29 10.029 -11.267 10.355 195 HB2 LEU 29 HB1 LEU 29 9.989 -12.775 7.750 196 HB3 LEU 29 HB2 LEU 29 8.846 -13.068 9.059 197 HG LEU 29 HG LEU 29 9.095 -10.301 7.984 198 HD11 LEU 29 HD11 LEU 29 7.825 -12.619 6.563 199 HD12 LEU 29 HD12 LEU 29 8.928 -11.401 5.924 200 HD13 LEU 29 HD13 LEU 29 7.270 -10.961 6.332 201 HD21 LEU 29 HD21 LEU 29 6.837 -11.986 9.058 202 HD22 LEU 29 HD22 LEU 29 6.665 -10.331 8.473 203 HD23 LEU 29 HD23 LEU 29 7.667 -10.668 9.886 204 H ALA 30 HN ALA 30 12.568 -13.146 8.853 205 HA ALA 30 HA ALA 30 12.252 -15.548 10.264 206 HB1 ALA 30 HB1 ALA 30 15.015 -14.720 9.662 207 HB2 ALA 30 HB2 ALA 30 14.153 -16.200 9.240 208 HB3 ALA 30 HB3 ALA 30 13.900 -14.732 8.296 209 H ASN 31 HN ASN 31 13.537 -12.475 11.220 210 HA ASN 31 HA ASN 31 14.892 -13.522 13.554 211 HB2 ASN 31 HB1 ASN 31 14.547 -10.830 12.311 212 HB3 ASN 31 HB2 ASN 31 14.949 -10.909 14.024 213 HD21 ASN 31 HD21 ASN 31 15.950 -12.213 10.888 214 HD22 ASN 31 HD22 ASN 31 17.642 -12.223 11.239 215 H GLY 32 HN GLY 32 11.792 -12.197 12.732 216 HA2 GLY 32 HA1 GLY 32 10.693 -12.958 15.255 217 HA3 GLY 32 HA2 GLY 32 10.860 -11.213 15.130 218 H GLY 33 HN GLY 33 9.349 -14.054 13.685 219 HA2 GLY 33 HA1 GLY 33 6.834 -13.086 13.373 220 HA3 GLY 33 HA2 GLY 33 7.666 -12.481 11.949 221 H ASN 34 HN ASN 34 7.372 -13.696 10.216 222 HA ASN 34 HA ASN 34 6.654 -16.508 10.545 223 HB2 ASN 34 HB1 ASN 34 6.341 -14.493 8.357 224 HB3 ASN 34 HB2 ASN 34 6.349 -16.204 7.939 225 HD21 ASN 34 HD21 ASN 34 4.344 -16.821 7.603 226 HD22 ASN 34 HD22 ASN 34 2.984 -16.452 8.603 227 H GLY 35 HN GLY 35 8.538 -14.854 8.015 228 HA2 GLY 35 HA1 GLY 35 10.533 -15.394 7.018 229 HA3 GLY 35 HA2 GLY 35 11.002 -16.076 8.568 230 H PHE 36 HN PHE 36 8.219 -17.242 6.821 231 HA PHE 36 HA PHE 36 9.585 -19.813 6.482 232 HB2 PHE 36 HB1 PHE 36 7.282 -19.460 7.690 233 HB3 PHE 36 HB2 PHE 36 6.645 -19.438 6.049 234 HD1 PHE 36 HD2 PHE 36 9.087 -21.478 8.006 235 HD2 PHE 36 HD1 PHE 36 5.789 -21.425 5.316 236 HE1 PHE 36 HE2 PHE 36 9.067 -23.938 7.988 237 HE2 PHE 36 HE1 PHE 36 5.763 -23.886 5.294 238 HZ PHE 36 HZ PHE 36 7.404 -25.145 6.630 239 H TRP 37 HN TRP 37 8.102 -17.216 4.721 240 HA TRP 37 HA TRP 37 8.061 -18.693 2.223 241 HB2 TRP 37 HB1 TRP 37 7.061 -16.071 3.172 242 HB3 TRP 37 HB2 TRP 37 7.529 -16.154 1.476 243 HD1 TRP 37 HD1 TRP 37 5.836 -19.061 3.348 244 HE1 TRP 37 HE1 TRP 37 3.556 -19.514 2.243 245 HE3 TRP 37 HE3 TRP 37 5.730 -15.141 0.068 246 HZ2 TRP 37 HZ2 TRP 37 1.929 -18.363 0.244 247 HZ3 TRP 37 HZ3 TRP 37 3.776 -14.889 -1.406 248 HH2 TRP 37 HH2 TRP 37 1.916 -16.468 -1.318 Start of MODEL 16 1 H1 LYS 1 HN LYS 1 2.983 -0.471 -5.103 2 HA LYS 1 HA LYS 1 5.009 -0.801 -7.197 3 HB2 LYS 1 HB1 LYS 1 4.871 1.415 -5.157 4 HB3 LYS 1 HB2 LYS 1 5.762 1.396 -6.673 5 HG2 LYS 1 HG1 LYS 1 4.009 2.670 -7.320 6 HG3 LYS 1 HG2 LYS 1 3.318 1.082 -7.661 7 HD2 LYS 1 HD1 LYS 1 1.901 1.161 -5.859 8 HD3 LYS 1 HD2 LYS 1 2.958 2.234 -4.939 9 HE2 LYS 1 HE1 LYS 1 1.471 3.101 -7.409 10 HE3 LYS 1 HE2 LYS 1 0.807 3.254 -5.783 11 HZ1 LYS 1 HZ1 LYS 1 2.358 5.092 -7.038 12 HZ2 LYS 1 HZ2 LYS 1 3.461 4.317 -6.018 13 HZ3 LYS 1 HZ3 LYS 1 2.067 5.027 -5.373 14 H TYR 2 HN TYR 2 4.413 -1.494 -3.922 15 HA TYR 2 HA TYR 2 7.174 -1.497 -3.086 16 HB2 TYR 2 HB1 TYR 2 4.562 -2.211 -1.816 17 HB3 TYR 2 HB2 TYR 2 6.052 -2.809 -1.095 18 HD1 TYR 2 HD2 TYR 2 7.843 -1.086 -0.479 19 HD2 TYR 2 HD1 TYR 2 3.819 -0.036 -1.376 20 HE1 TYR 2 HE2 TYR 2 8.153 1.064 0.673 21 HE2 TYR 2 HE1 TYR 2 4.118 2.117 -0.227 22 HH TYR 2 HH TYR 2 6.480 2.769 1.871 23 H TYR 3 HN TYR 3 4.829 -4.154 -2.851 24 HA TYR 3 HA TYR 3 6.634 -5.918 -4.310 25 HB2 TYR 3 HB1 TYR 3 7.451 -6.224 -2.083 26 HB3 TYR 3 HB2 TYR 3 5.820 -6.340 -1.433 27 HD1 TYR 3 HD2 TYR 3 7.787 -8.040 -4.129 28 HD2 TYR 3 HD1 TYR 3 5.221 -8.455 -0.760 29 HE1 TYR 3 HE2 TYR 3 7.870 -10.486 -4.374 30 HE2 TYR 3 HE1 TYR 3 5.297 -10.902 -0.996 31 HH TYR 3 HH TYR 3 7.052 -12.436 -3.668 32 H GLY 4 HN GLY 4 5.278 -6.571 -5.865 33 HA2 GLY 4 HA1 GLY 4 3.543 -8.482 -5.963 34 HA3 GLY 4 HA2 GLY 4 2.532 -7.320 -5.117 35 H ASN 5 HN ASN 5 3.579 -5.026 -6.579 36 HA ASN 5 HA ASN 5 1.906 -5.297 -8.932 37 HB2 ASN 5 HB1 ASN 5 3.122 -3.029 -7.424 38 HB3 ASN 5 HB2 ASN 5 2.729 -2.772 -9.121 39 HD21 ASN 5 HD21 ASN 5 1.604 -1.949 -6.364 40 HD22 ASN 5 HD22 ASN 5 -0.099 -2.163 -6.564 41 H GLY 6 HN GLY 6 2.883 -6.333 -10.578 42 HA2 GLY 6 HA1 GLY 6 5.687 -5.800 -11.180 43 HA3 GLY 6 HA2 GLY 6 4.675 -7.024 -11.932 44 H VAL 7 HN VAL 7 3.288 -3.908 -11.698 45 HA VAL 7 HA VAL 7 3.212 -3.647 -14.554 46 HB VAL 7 HB VAL 7 2.323 -1.682 -12.438 47 HG11 VAL 7 HG11 VAL 7 2.239 -1.687 -15.385 48 HG12 VAL 7 HG12 VAL 7 0.750 -1.204 -14.571 49 HG13 VAL 7 HG13 VAL 7 2.253 -0.338 -14.251 50 HG21 VAL 7 HG21 VAL 7 1.151 -4.158 -13.468 51 HG22 VAL 7 HG22 VAL 7 0.799 -3.266 -11.988 52 HG23 VAL 7 HG23 VAL 7 0.062 -2.772 -13.513 53 H HIS 8 HN HIS 8 5.198 -2.424 -12.001 54 HA HIS 8 HA HIS 8 6.244 -0.195 -13.484 55 HB2 HIS 8 HB1 HIS 8 7.081 -1.531 -10.911 56 HB3 HIS 8 HB2 HIS 8 7.957 -0.170 -11.605 57 HD1 HIS 8 HD1 HIS 8 4.207 -0.668 -11.189 58 HD2 HIS 8 HD2 HIS 8 7.245 1.927 -10.050 59 HE1 HIS 8 HE1 HIS 8 3.067 1.199 -9.949 60 H SER 9 HN SER 9 6.677 -3.483 -13.702 61 HA SER 9 HA SER 9 8.269 -4.854 -14.594 62 HB2 SER 9 HB1 SER 9 9.331 -2.628 -16.264 63 HB3 SER 9 HB2 SER 9 8.864 -4.263 -16.732 64 HG SER 9 HG SER 9 7.294 -1.969 -16.439 65 H THR 10 HN THR 10 9.171 -4.151 -12.235 66 HA THR 10 HA THR 10 11.621 -2.723 -12.190 67 HB THR 10 HB THR 10 11.916 -3.566 -9.945 68 HG1 THR 10 HG1 THR 10 10.367 -5.166 -9.170 69 HG21 THR 10 HG21 THR 10 10.144 -2.481 -8.998 70 HG22 THR 10 HG22 THR 10 8.958 -3.299 -10.015 71 HG23 THR 10 HG23 THR 10 9.913 -1.969 -10.669 72 H LYS 11 HN LYS 11 10.841 -5.755 -13.404 73 HA LYS 11 HA LYS 11 12.989 -7.376 -12.758 74 HB2 LYS 11 HB1 LYS 11 11.138 -8.265 -14.000 75 HB3 LYS 11 HB2 LYS 11 11.424 -7.152 -15.330 76 HG2 LYS 11 HG1 LYS 11 13.638 -8.976 -14.611 77 HG3 LYS 11 HG2 LYS 11 12.215 -9.692 -15.372 78 HD2 LYS 11 HD1 LYS 11 12.509 -7.668 -17.036 79 HD3 LYS 11 HD2 LYS 11 14.177 -7.733 -16.463 80 HE2 LYS 11 HE1 LYS 11 14.281 -9.158 -18.260 81 HE3 LYS 11 HE2 LYS 11 13.924 -10.292 -16.958 82 HZ1 LYS 11 HZ1 LYS 11 11.759 -10.547 -17.655 83 HZ2 LYS 11 HZ2 LYS 11 12.566 -10.392 -19.133 84 HZ3 LYS 11 HZ3 LYS 11 11.723 -9.075 -18.488 85 H SER 12 HN SER 12 12.883 -4.577 -14.787 86 HA SER 12 HA SER 12 15.148 -5.032 -16.379 87 HB2 SER 12 HB1 SER 12 14.179 -2.353 -15.361 88 HB3 SER 12 HB2 SER 12 15.138 -2.655 -16.810 89 HG SER 12 HG SER 12 12.971 -2.398 -17.370 90 H GLY 13 HN GLY 13 14.813 -4.128 -13.051 91 HA2 GLY 13 HA1 GLY 13 17.317 -4.760 -12.205 92 HA3 GLY 13 HA2 GLY 13 17.494 -3.107 -12.774 93 H SER 14 HN SER 14 14.629 -2.595 -11.949 94 HA SER 14 HA SER 14 15.187 -1.480 -9.422 95 HB2 SER 14 HB1 SER 14 12.947 -1.560 -11.269 96 HB3 SER 14 HB2 SER 14 12.406 -1.668 -9.594 97 HG SER 14 HG SER 14 12.611 0.502 -10.301 98 H SER 15 HN SER 15 14.328 -4.634 -10.340 99 HA SER 15 HA SER 15 12.894 -5.429 -8.020 100 HB2 SER 15 HB1 SER 15 12.949 -6.635 -10.257 101 HB3 SER 15 HB2 SER 15 14.540 -7.239 -9.794 102 HG SER 15 HG SER 15 12.025 -7.793 -8.661 103 H VAL 16 HN VAL 16 16.306 -5.535 -8.937 104 HA VAL 16 HA VAL 16 17.165 -6.934 -6.609 105 HB VAL 16 HB VAL 16 18.783 -5.181 -8.464 106 HG11 VAL 16 HG11 VAL 16 19.607 -7.270 -6.451 107 HG12 VAL 16 HG12 VAL 16 20.689 -6.543 -7.641 108 HG13 VAL 16 HG13 VAL 16 19.950 -5.541 -6.391 109 HG21 VAL 16 HG21 VAL 16 19.461 -7.618 -9.229 110 HG22 VAL 16 HG22 VAL 16 17.845 -7.998 -8.636 111 HG23 VAL 16 HG23 VAL 16 18.056 -6.797 -9.909 112 H ASN 17 HN ASN 17 16.549 -3.601 -7.358 113 HA ASN 17 HA ASN 17 18.044 -2.519 -5.165 114 HB2 ASN 17 HB1 ASN 17 16.283 -1.474 -7.295 115 HB3 ASN 17 HB2 ASN 17 16.290 -0.544 -5.799 116 HD21 ASN 17 HD21 ASN 17 18.248 -1.755 -8.427 117 HD22 ASN 17 HD22 ASN 17 19.555 -0.643 -8.221 118 H TRP 18 HN TRP 18 14.549 -2.235 -5.772 119 HA TRP 18 HA TRP 18 13.879 -1.757 -3.094 120 HB2 TRP 18 HB1 TRP 18 12.003 -3.012 -5.091 121 HB3 TRP 18 HB2 TRP 18 11.615 -1.919 -3.765 122 HD1 TRP 18 HD1 TRP 18 11.337 -1.702 -7.199 123 HE1 TRP 18 HE1 TRP 18 11.903 0.615 -8.168 124 HE3 TRP 18 HE3 TRP 18 13.946 0.218 -3.243 125 HZ2 TRP 18 HZ2 TRP 18 13.274 2.947 -7.362 126 HZ3 TRP 18 HZ3 TRP 18 14.852 2.498 -3.423 127 HH2 TRP 18 HH2 TRP 18 14.522 3.833 -5.441 128 H GLY 19 HN GLY 19 13.856 -4.754 -4.992 129 HA2 GLY 19 HA1 GLY 19 12.668 -6.472 -3.182 130 HA3 GLY 19 HA2 GLY 19 13.917 -6.950 -4.321 131 H GLU 20 HN GLU 20 15.941 -5.202 -3.165 132 HA GLU 20 HA GLU 20 17.169 -6.949 -1.407 133 HB2 GLU 20 HB1 GLU 20 17.839 -4.555 -2.606 134 HB3 GLU 20 HB2 GLU 20 17.852 -4.153 -0.895 135 HG2 GLU 20 HG1 GLU 20 19.194 -6.597 -1.107 136 HG3 GLU 20 HG2 GLU 20 19.779 -5.605 -2.441 137 H ALA 21 HN ALA 21 15.046 -4.218 -0.716 138 HA ALA 21 HA ALA 21 15.379 -4.244 2.095 139 HB1 ALA 21 HB1 ALA 21 12.808 -3.266 1.532 140 HB2 ALA 21 HB2 ALA 21 14.280 -2.337 1.817 141 HB3 ALA 21 HB3 ALA 21 13.828 -2.791 0.174 142 H PHE 22 HN PHE 22 12.687 -5.444 0.080 143 HA PHE 22 HA PHE 22 11.223 -6.653 2.104 144 HB2 PHE 22 HB1 PHE 22 11.478 -7.540 -0.777 145 HB3 PHE 22 HB2 PHE 22 10.194 -8.015 0.329 146 HD1 PHE 22 HD1 PHE 22 8.481 -6.423 1.004 147 HD2 PHE 22 HD2 PHE 22 11.522 -5.360 -1.778 148 HE1 PHE 22 HE1 PHE 22 7.172 -4.451 0.332 149 HE2 PHE 22 HE2 PHE 22 10.219 -3.386 -2.454 150 HZ PHE 22 HZ PHE 22 8.041 -2.929 -1.398 151 H SER 23 HN SER 23 14.117 -7.709 0.509 152 HA SER 23 HA SER 23 14.064 -10.442 0.946 153 HB2 SER 23 HB1 SER 23 15.837 -8.992 -0.256 154 HB3 SER 23 HB2 SER 23 16.580 -8.835 1.336 155 HG SER 23 HG SER 23 17.416 -10.608 0.127 156 H ALA 24 HN ALA 24 14.868 -7.834 3.171 157 HA ALA 24 HA ALA 24 15.949 -9.309 5.268 158 HB1 ALA 24 HB1 ALA 24 15.059 -7.432 6.718 159 HB2 ALA 24 HB2 ALA 24 16.107 -6.959 5.380 160 HB3 ALA 24 HB3 ALA 24 14.360 -6.757 5.246 161 H GLY 25 HN GLY 25 12.547 -8.346 4.774 162 HA2 GLY 25 HA1 GLY 25 11.486 -9.623 7.020 163 HA3 GLY 25 HA2 GLY 25 10.592 -9.262 5.550 164 H VAL 26 HN VAL 26 12.363 -10.919 3.889 165 HA VAL 26 HA VAL 26 10.939 -13.352 4.071 166 HB VAL 26 HB VAL 26 13.488 -12.764 2.558 167 HG11 VAL 26 HG11 VAL 26 12.827 -14.671 1.150 168 HG12 VAL 26 HG12 VAL 26 13.143 -15.152 2.819 169 HG13 VAL 26 HG13 VAL 26 11.482 -14.995 2.244 170 HG21 VAL 26 HG21 VAL 26 12.118 -11.353 1.463 171 HG22 VAL 26 HG22 VAL 26 11.514 -12.827 0.706 172 HG23 VAL 26 HG23 VAL 26 10.657 -12.126 2.079 173 H HIS 27 HN HIS 27 14.307 -12.519 4.854 174 HA HIS 27 HA HIS 27 15.068 -15.092 5.713 175 HB2 HIS 27 HB1 HIS 27 16.466 -12.897 5.198 176 HB3 HIS 27 HB2 HIS 27 16.317 -12.675 6.939 177 HD1 HIS 27 HD1 HIS 27 17.837 -14.965 4.382 178 HD2 HIS 27 HD2 HIS 27 17.874 -14.367 8.493 179 HE1 HIS 27 HE1 HIS 27 19.701 -16.410 5.255 180 H ARG 28 HN ARG 28 13.235 -12.594 7.223 181 HA ARG 28 HA ARG 28 13.676 -13.275 9.929 182 HB2 ARG 28 HB1 ARG 28 11.873 -11.551 8.418 183 HB3 ARG 28 HB2 ARG 28 11.093 -12.275 9.818 184 HG2 ARG 28 HG1 ARG 28 11.928 -10.422 10.811 185 HG3 ARG 28 HG2 ARG 28 13.336 -11.471 10.994 186 HD2 ARG 28 HD1 ARG 28 14.457 -10.460 9.197 187 HD3 ARG 28 HD2 ARG 28 12.984 -9.703 8.594 188 HE ARG 28 HE ARG 28 13.346 -7.958 10.024 189 HH11 ARG 28 HH11 ARG 28 15.267 -10.675 11.048 190 HH12 ARG 28 HH12 ARG 28 16.115 -9.782 12.267 191 HH21 ARG 28 HH21 ARG 28 14.456 -6.772 11.625 192 HH22 ARG 28 HH22 ARG 28 15.653 -7.563 12.595 193 H LEU 29 HN LEU 29 11.168 -14.251 7.611 194 HA LEU 29 HA LEU 29 9.678 -15.855 9.366 195 HB2 LEU 29 HB1 LEU 29 8.504 -16.568 7.518 196 HB3 LEU 29 HB2 LEU 29 9.141 -15.015 6.981 197 HG LEU 29 HG LEU 29 11.080 -16.671 6.088 198 HD11 LEU 29 HD11 LEU 29 8.748 -18.329 6.615 199 HD12 LEU 29 HD12 LEU 29 10.408 -18.791 6.243 200 HD13 LEU 29 HD13 LEU 29 9.287 -18.405 4.938 201 HD21 LEU 29 HD21 LEU 29 10.399 -15.997 4.038 202 HD22 LEU 29 HD22 LEU 29 9.359 -14.939 4.992 203 HD23 LEU 29 HD23 LEU 29 8.717 -16.441 4.327 204 H ALA 30 HN ALA 30 12.660 -16.418 7.698 205 HA ALA 30 HA ALA 30 12.760 -19.182 7.560 206 HB1 ALA 30 HB1 ALA 30 15.129 -17.505 8.340 207 HB2 ALA 30 HB2 ALA 30 15.099 -18.989 7.387 208 HB3 ALA 30 HB3 ALA 30 14.456 -17.493 6.709 209 H ASN 31 HN ASN 31 13.610 -17.069 10.286 210 HA ASN 31 HA ASN 31 14.053 -19.390 11.992 211 HB2 ASN 31 HB1 ASN 31 15.575 -17.384 12.043 212 HB3 ASN 31 HB2 ASN 31 14.242 -16.467 12.738 213 HD21 ASN 31 HD21 ASN 31 16.461 -19.120 13.244 214 HD22 ASN 31 HD22 ASN 31 16.312 -19.169 14.964 215 H GLY 32 HN GLY 32 11.667 -16.949 11.362 216 HA2 GLY 32 HA1 GLY 32 10.148 -17.763 13.749 217 HA3 GLY 32 HA2 GLY 32 9.875 -16.296 12.821 218 H GLY 33 HN GLY 33 8.633 -16.366 10.951 219 HA2 GLY 33 HA1 GLY 33 7.793 -18.395 9.401 220 HA3 GLY 33 HA2 GLY 33 6.798 -18.608 10.834 221 H ASN 34 HN ASN 34 6.302 -17.743 7.939 222 HA ASN 34 HA ASN 34 4.859 -16.374 6.837 223 HB2 ASN 34 HB1 ASN 34 3.807 -15.434 9.496 224 HB3 ASN 34 HB2 ASN 34 2.938 -15.632 7.977 225 HD21 ASN 34 HD21 ASN 34 2.566 -17.803 7.219 226 HD22 ASN 34 HD22 ASN 34 2.406 -19.089 8.362 227 H GLY 35 HN GLY 35 7.002 -15.208 6.488 228 HA2 GLY 35 HA1 GLY 35 7.452 -12.761 7.906 229 HA3 GLY 35 HA2 GLY 35 8.256 -13.272 6.429 230 H PHE 36 HN PHE 36 7.467 -12.617 4.446 231 HA PHE 36 HA PHE 36 5.427 -10.502 4.575 232 HB2 PHE 36 HB1 PHE 36 7.884 -10.878 2.920 233 HB3 PHE 36 HB2 PHE 36 6.535 -9.984 2.226 234 HD1 PHE 36 HD1 PHE 36 7.892 -10.078 5.693 235 HD2 PHE 36 HD2 PHE 36 7.120 -7.756 2.210 236 HE1 PHE 36 HE1 PHE 36 8.629 -8.054 6.883 237 HE2 PHE 36 HE2 PHE 36 7.855 -5.729 3.394 238 HZ PHE 36 HZ PHE 36 8.612 -5.876 5.733 239 H TRP 37 HN TRP 37 4.996 -13.434 4.294 240 HA TRP 37 HA TRP 37 3.242 -13.282 1.969 241 HB2 TRP 37 HB1 TRP 37 3.999 -15.310 0.977 242 HB3 TRP 37 HB2 TRP 37 5.437 -14.334 1.268 243 HD1 TRP 37 HD1 TRP 37 6.289 -14.993 4.107 244 HE1 TRP 37 HE1 TRP 37 6.953 -17.371 4.835 245 HE3 TRP 37 HE3 TRP 37 3.921 -17.655 0.440 246 HZ2 TRP 37 HZ2 TRP 37 6.530 -20.024 3.968 247 HZ3 TRP 37 HZ3 TRP 37 4.101 -20.108 0.461 248 HH2 TRP 37 HH2 TRP 37 5.379 -21.267 2.189 Start of MODEL 17 1 H1 LYS 1 HN LYS 1 -0.951 -5.568 -7.605 2 HA LYS 1 HA LYS 1 0.144 -4.174 -5.577 3 HB2 LYS 1 HB1 LYS 1 -1.537 -6.654 -5.563 4 HB3 LYS 1 HB2 LYS 1 -0.963 -5.986 -4.040 5 HG2 LYS 1 HG1 LYS 1 -2.051 -3.865 -4.551 6 HG3 LYS 1 HG2 LYS 1 -2.617 -4.522 -6.088 7 HD2 LYS 1 HD1 LYS 1 -4.469 -4.858 -4.770 8 HD3 LYS 1 HD2 LYS 1 -3.630 -6.396 -4.552 9 HE2 LYS 1 HE1 LYS 1 -4.172 -5.810 -2.379 10 HE3 LYS 1 HE2 LYS 1 -2.519 -5.216 -2.530 11 HZ1 LYS 1 HZ1 LYS 1 -4.768 -3.425 -3.147 12 HZ2 LYS 1 HZ2 LYS 1 -3.212 -3.042 -2.606 13 HZ3 LYS 1 HZ3 LYS 1 -4.342 -3.699 -1.533 14 H TYR 2 HN TYR 2 1.819 -4.307 -4.212 15 HA TYR 2 HA TYR 2 3.088 -6.849 -3.642 16 HB2 TYR 2 HB1 TYR 2 4.646 -4.617 -4.965 17 HB3 TYR 2 HB2 TYR 2 5.317 -6.130 -4.364 18 HD1 TYR 2 HD2 TYR 2 4.474 -8.302 -5.437 19 HD2 TYR 2 HD1 TYR 2 3.859 -4.461 -7.161 20 HE1 TYR 2 HE2 TYR 2 4.072 -9.354 -7.624 21 HE2 TYR 2 HE1 TYR 2 3.454 -5.502 -9.352 22 HH TYR 2 HH TYR 2 2.567 -8.176 -9.982 23 H TYR 3 HN TYR 3 5.109 -6.394 -2.195 24 HA TYR 3 HA TYR 3 4.164 -4.758 -0.013 25 HB2 TYR 3 HB1 TYR 3 6.212 -6.855 -0.395 26 HB3 TYR 3 HB2 TYR 3 6.588 -5.641 0.823 27 HD1 TYR 3 HD1 TYR 3 3.561 -7.588 -0.213 28 HD2 TYR 3 HD2 TYR 3 6.053 -6.262 2.970 29 HE1 TYR 3 HE1 TYR 3 2.122 -8.766 1.396 30 HE2 TYR 3 HE2 TYR 3 4.622 -7.438 4.588 31 HH TYR 3 HH TYR 3 1.675 -9.113 3.556 32 H GLY 4 HN GLY 4 5.687 -3.956 -2.741 33 HA2 GLY 4 HA1 GLY 4 6.559 -1.444 -1.820 34 HA3 GLY 4 HA2 GLY 4 7.956 -2.498 -1.976 35 H ASN 5 HN ASN 5 5.208 -1.150 -3.751 36 HA ASN 5 HA ASN 5 6.277 -1.901 -6.311 37 HB2 ASN 5 HB1 ASN 5 4.185 0.216 -6.001 38 HB3 ASN 5 HB2 ASN 5 4.326 -1.044 -7.223 39 HD21 ASN 5 HD21 ASN 5 3.424 -0.353 -3.917 40 HD22 ASN 5 HD22 ASN 5 2.436 -1.752 -3.692 41 H GLY 6 HN GLY 6 8.374 -0.740 -5.380 42 HA2 GLY 6 HA1 GLY 6 8.396 2.122 -5.814 43 HA3 GLY 6 HA2 GLY 6 9.771 1.121 -5.374 44 H VAL 7 HN VAL 7 8.715 3.102 -7.689 45 HA VAL 7 HA VAL 7 9.239 1.663 -10.080 46 HB VAL 7 HB VAL 7 9.440 4.650 -9.687 47 HG11 VAL 7 HG11 VAL 7 8.474 4.345 -12.154 48 HG12 VAL 7 HG12 VAL 7 10.204 4.378 -11.808 49 HG13 VAL 7 HG13 VAL 7 9.377 2.836 -12.028 50 HG21 VAL 7 HG21 VAL 7 7.303 4.300 -8.936 51 HG22 VAL 7 HG22 VAL 7 7.010 4.428 -10.671 52 HG23 VAL 7 HG23 VAL 7 7.083 2.842 -9.903 53 H HIS 8 HN HIS 8 11.273 2.882 -7.666 54 HA HIS 8 HA HIS 8 13.548 3.436 -9.337 55 HB2 HIS 8 HB1 HIS 8 13.308 3.082 -6.343 56 HB3 HIS 8 HB2 HIS 8 14.775 3.592 -7.174 57 HD1 HIS 8 HD1 HIS 8 11.149 4.770 -7.054 58 HD2 HIS 8 HD2 HIS 8 15.020 6.274 -7.163 59 HE1 HIS 8 HE1 HIS 8 10.902 7.270 -6.948 60 H SER 9 HN SER 9 15.552 2.246 -9.271 61 HA SER 9 HA SER 9 16.821 0.363 -9.429 62 HB2 SER 9 HB1 SER 9 16.113 0.157 -6.987 63 HB3 SER 9 HB2 SER 9 14.883 -0.979 -7.541 64 HG SER 9 HG SER 9 17.692 -1.224 -7.879 65 H THR 10 HN THR 10 14.102 0.794 -10.864 66 HA THR 10 HA THR 10 13.130 -1.785 -11.533 67 HB THR 10 HB THR 10 12.246 -0.458 -13.619 68 HG1 THR 10 HG1 THR 10 12.135 1.811 -13.107 69 HG21 THR 10 HG21 THR 10 10.518 0.649 -12.046 70 HG22 THR 10 HG22 THR 10 11.416 -0.147 -10.753 71 HG23 THR 10 HG23 THR 10 10.669 -1.107 -12.029 72 H LYS 11 HN LYS 11 15.741 0.176 -12.716 73 HA LYS 11 HA LYS 11 16.126 -0.870 -15.259 74 HB2 LYS 11 HB1 LYS 11 17.390 1.039 -14.445 75 HB3 LYS 11 HB2 LYS 11 18.184 0.036 -13.237 76 HG2 LYS 11 HG1 LYS 11 19.707 0.409 -15.037 77 HG3 LYS 11 HG2 LYS 11 19.201 -1.282 -15.078 78 HD2 LYS 11 HD1 LYS 11 17.581 0.602 -16.676 79 HD3 LYS 11 HD2 LYS 11 19.229 0.320 -17.242 80 HE2 LYS 11 HE1 LYS 11 18.529 -2.205 -16.797 81 HE3 LYS 11 HE2 LYS 11 16.921 -1.541 -17.081 82 HZ1 LYS 11 HZ1 LYS 11 17.339 -1.683 -19.237 83 HZ2 LYS 11 HZ2 LYS 11 18.935 -2.169 -18.959 84 HZ3 LYS 11 HZ3 LYS 11 18.559 -0.523 -19.068 85 H SER 12 HN SER 12 17.378 -2.051 -12.151 86 HA SER 12 HA SER 12 18.856 -4.205 -13.174 87 HB2 SER 12 HB1 SER 12 19.071 -3.324 -10.859 88 HB3 SER 12 HB2 SER 12 17.500 -4.026 -10.473 89 HG SER 12 HG SER 12 19.718 -5.515 -11.427 90 H GLY 13 HN GLY 13 15.487 -3.737 -12.899 91 HA2 GLY 13 HA1 GLY 13 14.462 -5.637 -14.382 92 HA3 GLY 13 HA2 GLY 13 14.921 -6.611 -12.993 93 H SER 14 HN SER 14 12.364 -5.219 -14.382 94 HA SER 14 HA SER 14 11.062 -3.817 -12.330 95 HB2 SER 14 HB1 SER 14 10.463 -4.603 -14.958 96 HB3 SER 14 HB2 SER 14 9.191 -5.306 -13.959 97 HG SER 14 HG SER 14 8.453 -3.371 -13.526 98 H SER 15 HN SER 15 10.563 -7.195 -13.369 99 HA SER 15 HA SER 15 9.016 -7.815 -11.038 100 HB2 SER 15 HB1 SER 15 8.956 -8.897 -13.430 101 HB3 SER 15 HB2 SER 15 10.234 -9.926 -12.784 102 HG SER 15 HG SER 15 8.161 -10.831 -12.453 103 H VAL 16 HN VAL 16 12.359 -8.097 -11.980 104 HA VAL 16 HA VAL 16 13.130 -9.936 -9.942 105 HB VAL 16 HB VAL 16 14.908 -7.959 -11.370 106 HG11 VAL 16 HG11 VAL 16 16.377 -8.823 -9.908 107 HG12 VAL 16 HG12 VAL 16 15.345 -10.206 -9.535 108 HG13 VAL 16 HG13 VAL 16 16.358 -10.223 -10.979 109 HG21 VAL 16 HG21 VAL 16 15.358 -9.987 -12.866 110 HG22 VAL 16 HG22 VAL 16 13.841 -10.629 -12.235 111 HG23 VAL 16 HG23 VAL 16 13.853 -9.103 -13.120 112 H ASN 17 HN ASN 17 12.605 -6.523 -10.053 113 HA ASN 17 HA ASN 17 14.220 -5.784 -7.841 114 HB2 ASN 17 HB1 ASN 17 13.512 -4.082 -9.384 115 HB3 ASN 17 HB2 ASN 17 11.815 -4.463 -9.108 116 HD21 ASN 17 HD21 ASN 17 14.469 -4.061 -6.808 117 HD22 ASN 17 HD22 ASN 17 13.752 -2.749 -5.942 118 H TRP 18 HN TRP 18 10.813 -6.687 -8.166 119 HA TRP 18 HA TRP 18 10.058 -6.196 -5.503 120 HB2 TRP 18 HB1 TRP 18 8.860 -8.373 -7.206 121 HB3 TRP 18 HB2 TRP 18 8.070 -7.374 -5.989 122 HD1 TRP 18 HD1 TRP 18 7.562 -7.763 -9.352 123 HE1 TRP 18 HE1 TRP 18 7.100 -5.583 -10.639 124 HE3 TRP 18 HE3 TRP 18 9.403 -4.412 -5.958 125 HZ2 TRP 18 HZ2 TRP 18 7.468 -2.809 -10.265 126 HZ3 TRP 18 HZ3 TRP 18 9.311 -2.013 -6.500 127 HH2 TRP 18 HH2 TRP 18 8.364 -1.231 -8.610 128 H GLY 19 HN GLY 19 10.911 -9.287 -7.079 129 HA2 GLY 19 HA1 GLY 19 10.842 -10.853 -4.756 130 HA3 GLY 19 HA2 GLY 19 11.744 -11.241 -6.214 131 H GLU 20 HN GLU 20 13.615 -9.268 -6.328 132 HA GLU 20 HA GLU 20 15.562 -10.159 -4.520 133 HB2 GLU 20 HB1 GLU 20 15.421 -7.752 -6.326 134 HB3 GLU 20 HB2 GLU 20 16.825 -8.080 -5.320 135 HG2 GLU 20 HG1 GLU 20 15.776 -10.176 -7.171 136 HG3 GLU 20 HG2 GLU 20 16.800 -8.875 -7.777 137 H ALA 21 HN ALA 21 13.527 -7.267 -4.512 138 HA ALA 21 HA ALA 21 14.715 -6.046 -2.253 139 HB1 ALA 21 HB1 ALA 21 13.291 -4.874 -3.918 140 HB2 ALA 21 HB2 ALA 21 11.887 -5.696 -3.236 141 HB3 ALA 21 HB3 ALA 21 12.820 -4.575 -2.245 142 H PHE 22 HN PHE 22 11.583 -7.742 -2.531 143 HA PHE 22 HA PHE 22 11.054 -7.841 0.214 144 HB2 PHE 22 HB1 PHE 22 10.144 -9.829 -1.875 145 HB3 PHE 22 HB2 PHE 22 9.377 -9.511 -0.323 146 HD1 PHE 22 HD2 PHE 22 9.683 -6.470 -0.442 147 HD2 PHE 22 HD1 PHE 22 8.281 -9.341 -3.254 148 HE1 PHE 22 HE2 PHE 22 8.273 -4.748 -1.491 149 HE2 PHE 22 HE1 PHE 22 6.870 -7.623 -4.309 150 HZ PHE 22 HZ PHE 22 6.864 -5.324 -3.427 151 H SER 23 HN SER 23 13.144 -9.746 -1.765 152 HA SER 23 HA SER 23 13.307 -12.109 -0.298 153 HB2 SER 23 HB1 SER 23 14.569 -12.447 -2.138 154 HB3 SER 23 HB2 SER 23 14.943 -10.732 -2.302 155 HG SER 23 HG SER 23 16.291 -12.724 -0.861 156 H ALA 24 HN ALA 24 14.359 -8.949 0.494 157 HA ALA 24 HA ALA 24 16.462 -9.603 2.284 158 HB1 ALA 24 HB1 ALA 24 16.298 -7.324 3.048 159 HB2 ALA 24 HB2 ALA 24 16.135 -7.361 1.292 160 HB3 ALA 24 HB3 ALA 24 14.707 -7.152 2.305 161 H GLY 25 HN GLY 25 13.145 -10.110 2.473 162 HA2 GLY 25 HA1 GLY 25 13.280 -10.262 5.422 163 HA3 GLY 25 HA2 GLY 25 11.813 -9.851 4.546 164 H VAL 26 HN VAL 26 12.395 -11.885 2.465 165 HA VAL 26 HA VAL 26 10.854 -13.979 3.408 166 HB VAL 26 HB VAL 26 11.509 -15.235 1.474 167 HG11 VAL 26 HG11 VAL 26 11.025 -13.679 -0.273 168 HG12 VAL 26 HG12 VAL 26 10.132 -13.172 1.162 169 HG13 VAL 26 HG13 VAL 26 11.608 -12.326 0.696 170 HG21 VAL 26 HG21 VAL 26 13.420 -14.022 0.057 171 HG22 VAL 26 HG22 VAL 26 13.971 -13.603 1.679 172 HG23 VAL 26 HG23 VAL 26 13.765 -15.296 1.228 173 H HIS 27 HN HIS 27 14.323 -13.510 3.590 174 HA HIS 27 HA HIS 27 15.112 -16.103 4.269 175 HB2 HIS 27 HB1 HIS 27 16.317 -13.545 4.132 176 HB3 HIS 27 HB2 HIS 27 16.676 -14.192 5.730 177 HD1 HIS 27 HD1 HIS 27 16.900 -15.334 2.107 178 HD2 HIS 27 HD2 HIS 27 18.821 -15.839 5.756 179 HE1 HIS 27 HE1 HIS 27 18.908 -16.766 1.617 180 H ARG 28 HN ARG 28 13.723 -13.535 6.211 181 HA ARG 28 HA ARG 28 14.237 -14.709 8.742 182 HB2 ARG 28 HB1 ARG 28 12.245 -12.644 7.813 183 HB3 ARG 28 HB2 ARG 28 12.359 -13.161 9.490 184 HG2 ARG 28 HG1 ARG 28 14.656 -12.001 7.932 185 HG3 ARG 28 HG2 ARG 28 13.580 -11.057 8.964 186 HD2 ARG 28 HD1 ARG 28 14.207 -12.765 10.793 187 HD3 ARG 28 HD2 ARG 28 15.552 -13.179 9.732 188 HE ARG 28 HE ARG 28 15.267 -10.806 11.323 189 HH11 ARG 28 HH11 ARG 28 16.756 -12.189 8.496 190 HH12 ARG 28 HH12 ARG 28 18.071 -11.061 8.477 191 HH21 ARG 28 HH21 ARG 28 16.994 -9.315 11.309 192 HH22 ARG 28 HH22 ARG 28 18.206 -9.428 10.078 193 H LEU 29 HN LEU 29 11.201 -14.478 6.877 194 HA LEU 29 HA LEU 29 9.728 -16.212 8.522 195 HB2 LEU 29 HB1 LEU 29 8.043 -16.070 6.950 196 HB3 LEU 29 HB2 LEU 29 8.941 -14.575 6.694 197 HG LEU 29 HG LEU 29 10.152 -16.114 4.871 198 HD11 LEU 29 HD11 LEU 29 7.739 -17.553 5.615 199 HD12 LEU 29 HD12 LEU 29 9.117 -18.074 4.645 200 HD13 LEU 29 HD13 LEU 29 7.803 -17.168 3.895 201 HD21 LEU 29 HD21 LEU 29 7.499 -14.744 4.441 202 HD22 LEU 29 HD22 LEU 29 8.722 -15.077 3.215 203 HD23 LEU 29 HD23 LEU 29 9.064 -13.933 4.514 204 H ALA 30 HN ALA 30 12.025 -16.818 6.005 205 HA ALA 30 HA ALA 30 11.321 -19.356 5.147 206 HB1 ALA 30 HB1 ALA 30 13.596 -17.668 4.966 207 HB2 ALA 30 HB2 ALA 30 14.145 -19.287 5.402 208 HB3 ALA 30 HB3 ALA 30 13.165 -19.048 3.956 209 H ASN 31 HN ASN 31 13.463 -18.500 7.867 210 HA ASN 31 HA ASN 31 13.506 -21.256 8.767 211 HB2 ASN 31 HB1 ASN 31 14.916 -18.738 9.549 212 HB3 ASN 31 HB2 ASN 31 14.838 -20.060 10.710 213 HD21 ASN 31 HD21 ASN 31 15.217 -19.987 7.187 214 HD22 ASN 31 HD22 ASN 31 16.695 -20.881 7.156 215 H GLY 32 HN GLY 32 11.923 -18.255 9.559 216 HA2 GLY 32 HA1 GLY 32 10.387 -19.690 11.625 217 HA3 GLY 32 HA2 GLY 32 11.037 -18.092 11.960 218 H GLY 33 HN GLY 33 9.740 -16.416 11.600 219 HA2 GLY 33 HA1 GLY 33 7.901 -16.363 9.387 220 HA3 GLY 33 HA2 GLY 33 7.100 -16.551 10.940 221 H ASN 34 HN ASN 34 10.053 -14.725 10.613 222 HA ASN 34 HA ASN 34 8.602 -12.324 11.427 223 HB2 ASN 34 HB1 ASN 34 10.785 -13.287 12.526 224 HB3 ASN 34 HB2 ASN 34 11.586 -12.451 11.199 225 HD21 ASN 34 HD21 ASN 34 9.243 -11.953 13.798 226 HD22 ASN 34 HD22 ASN 34 9.684 -10.313 14.119 227 H GLY 35 HN GLY 35 8.619 -13.414 8.647 228 HA2 GLY 35 HA1 GLY 35 9.887 -11.126 7.276 229 HA3 GLY 35 HA2 GLY 35 9.601 -12.693 6.532 230 H PHE 36 HN PHE 36 7.100 -11.499 8.547 231 HA PHE 36 HA PHE 36 5.460 -10.996 6.169 232 HB2 PHE 36 HB1 PHE 36 4.917 -12.596 8.262 233 HB3 PHE 36 HB2 PHE 36 4.213 -11.097 8.860 234 HD1 PHE 36 HD1 PHE 36 4.325 -12.857 5.567 235 HD2 PHE 36 HD2 PHE 36 1.950 -10.989 8.565 236 HE1 PHE 36 HE1 PHE 36 2.306 -13.276 4.224 237 HE2 PHE 36 HE2 PHE 36 -0.073 -11.406 7.227 238 HZ PHE 36 HZ PHE 36 0.104 -12.552 5.054 239 H TRP 37 HN TRP 37 7.388 -9.072 7.343 240 HA TRP 37 HA TRP 37 5.594 -6.797 7.407 241 HB2 TRP 37 HB1 TRP 37 6.951 -7.821 9.805 242 HB3 TRP 37 HB2 TRP 37 7.214 -6.105 9.506 243 HD1 TRP 37 HD1 TRP 37 4.431 -8.607 10.331 244 HE1 TRP 37 HE1 TRP 37 2.388 -7.303 11.198 245 HE3 TRP 37 HE3 TRP 37 6.058 -3.848 9.416 246 HZ2 TRP 37 HZ2 TRP 37 1.574 -4.613 11.459 247 HZ3 TRP 37 HZ3 TRP 37 4.586 -1.965 10.003 248 HH2 TRP 37 HH2 TRP 37 2.391 -2.342 11.003 Start of MODEL 18 1 H1 LYS 1 HN LYS 1 6.999 2.273 -6.384 2 HA LYS 1 HA LYS 1 8.579 0.270 -5.872 3 HB2 LYS 1 HB1 LYS 1 9.453 1.451 -3.793 4 HB3 LYS 1 HB2 LYS 1 9.382 2.407 -5.268 5 HG2 LYS 1 HG1 LYS 1 7.692 3.735 -4.494 6 HG3 LYS 1 HG2 LYS 1 7.061 2.492 -3.412 7 HD2 LYS 1 HD1 LYS 1 9.768 3.640 -2.898 8 HD3 LYS 1 HD2 LYS 1 8.337 4.573 -2.455 9 HE2 LYS 1 HE1 LYS 1 7.553 2.793 -1.041 10 HE3 LYS 1 HE2 LYS 1 8.849 1.731 -1.587 11 HZ1 LYS 1 HZ1 LYS 1 9.103 4.175 0.071 12 HZ2 LYS 1 HZ2 LYS 1 10.427 3.387 -0.626 13 HZ3 LYS 1 HZ3 LYS 1 9.470 2.584 0.515 14 H TYR 2 HN TYR 2 7.119 -1.551 -5.520 15 HA TYR 2 HA TYR 2 7.029 -2.253 -2.710 16 HB2 TYR 2 HB1 TYR 2 4.500 -2.368 -4.362 17 HB3 TYR 2 HB2 TYR 2 4.679 -2.832 -2.674 18 HD1 TYR 2 HD1 TYR 2 5.059 -1.082 -0.949 19 HD2 TYR 2 HD2 TYR 2 4.170 -0.094 -4.991 20 HE1 TYR 2 HE1 TYR 2 4.468 1.202 -0.254 21 HE2 TYR 2 HE2 TYR 2 3.578 2.193 -4.307 22 HH TYR 2 HH TYR 2 4.406 3.695 -1.993 23 H TYR 3 HN TYR 3 5.511 -4.542 -2.868 24 HA TYR 3 HA TYR 3 7.324 -6.297 -4.253 25 HB2 TYR 3 HB1 TYR 3 6.432 -6.849 -2.014 26 HB3 TYR 3 HB2 TYR 3 4.813 -6.950 -2.697 27 HD1 TYR 3 HD2 TYR 3 8.221 -8.388 -3.243 28 HD2 TYR 3 HD1 TYR 3 4.016 -9.037 -3.276 29 HE1 TYR 3 HE2 TYR 3 8.597 -10.761 -3.768 30 HE2 TYR 3 HE1 TYR 3 4.381 -11.412 -3.799 31 HH TYR 3 HH TYR 3 5.872 -13.000 -4.209 32 H GLY 4 HN GLY 4 4.605 -4.616 -5.172 33 HA2 GLY 4 HA1 GLY 4 3.402 -6.618 -6.859 34 HA3 GLY 4 HA2 GLY 4 3.003 -4.907 -6.820 35 H ASN 5 HN ASN 5 5.919 -4.258 -7.200 36 HA ASN 5 HA ASN 5 7.343 -3.777 -8.908 37 HB2 ASN 5 HB1 ASN 5 7.446 -6.277 -9.078 38 HB3 ASN 5 HB2 ASN 5 6.170 -6.198 -10.290 39 HD21 ASN 5 HD21 ASN 5 6.711 -5.857 -12.344 40 HD22 ASN 5 HD22 ASN 5 8.295 -5.451 -12.902 41 H GLY 6 HN GLY 6 4.291 -3.146 -8.930 42 HA2 GLY 6 HA1 GLY 6 2.811 -2.024 -10.286 43 HA3 GLY 6 HA2 GLY 6 4.259 -1.303 -10.975 44 H VAL 7 HN VAL 7 2.722 -1.291 -12.874 45 HA VAL 7 HA VAL 7 2.241 -3.805 -14.188 46 HB VAL 7 HB VAL 7 1.975 -1.014 -15.312 47 HG11 VAL 7 HG11 VAL 7 0.146 -2.452 -16.623 48 HG12 VAL 7 HG12 VAL 7 1.807 -2.274 -17.192 49 HG13 VAL 7 HG13 VAL 7 1.326 -3.724 -16.310 50 HG21 VAL 7 HG21 VAL 7 0.389 -0.824 -13.725 51 HG22 VAL 7 HG22 VAL 7 -0.557 -1.837 -14.815 52 HG23 VAL 7 HG23 VAL 7 0.300 -2.565 -13.458 53 H HIS 8 HN HIS 8 4.731 -1.406 -14.188 54 HA HIS 8 HA HIS 8 5.858 -2.082 -16.728 55 HB2 HIS 8 HB1 HIS 8 7.123 -0.664 -14.373 56 HB3 HIS 8 HB2 HIS 8 7.762 -0.709 -16.013 57 HD1 HIS 8 HD1 HIS 8 5.417 1.105 -13.847 58 HD2 HIS 8 HD2 HIS 8 6.180 0.772 -17.917 59 HE1 HIS 8 HE1 HIS 8 4.238 3.053 -14.913 60 H SER 9 HN SER 9 7.918 -3.110 -17.071 61 HA SER 9 HA SER 9 8.193 -5.503 -15.500 62 HB2 SER 9 HB1 SER 9 10.246 -5.734 -17.166 63 HB3 SER 9 HB2 SER 9 8.590 -5.991 -17.718 64 HG SER 9 HG SER 9 10.022 -4.512 -18.977 65 H THR 10 HN THR 10 8.659 -3.749 -13.661 66 HA THR 10 HA THR 10 11.329 -2.777 -13.478 67 HB THR 10 HB THR 10 10.385 -2.976 -10.865 68 HG1 THR 10 HG1 THR 10 8.200 -2.040 -11.246 69 HG21 THR 10 HG21 THR 10 10.562 -0.717 -10.921 70 HG22 THR 10 HG22 THR 10 9.616 -0.573 -12.402 71 HG23 THR 10 HG23 THR 10 11.316 -1.035 -12.482 72 H LYS 11 HN LYS 11 10.098 -5.862 -13.269 73 HA LYS 11 HA LYS 11 11.402 -7.046 -11.127 74 HB2 LYS 11 HB1 LYS 11 11.284 -9.143 -12.424 75 HB3 LYS 11 HB2 LYS 11 9.769 -8.249 -12.462 76 HG2 LYS 11 HG1 LYS 11 9.915 -8.773 -14.658 77 HG3 LYS 11 HG2 LYS 11 10.848 -7.275 -14.685 78 HD2 LYS 11 HD1 LYS 11 12.844 -8.365 -14.956 79 HD3 LYS 11 HD2 LYS 11 12.287 -9.819 -14.124 80 HE2 LYS 11 HE1 LYS 11 11.202 -8.990 -16.801 81 HE3 LYS 11 HE2 LYS 11 12.658 -9.972 -16.646 82 HZ1 LYS 11 HZ1 LYS 11 11.099 -11.397 -15.130 83 HZ2 LYS 11 HZ2 LYS 11 11.072 -11.583 -16.811 84 HZ3 LYS 11 HZ3 LYS 11 9.875 -10.667 -16.042 85 H SER 12 HN SER 12 12.716 -5.702 -13.989 86 HA SER 12 HA SER 12 15.042 -7.189 -14.343 87 HB2 SER 12 HB1 SER 12 14.366 -4.304 -14.868 88 HB3 SER 12 HB2 SER 12 15.979 -4.933 -15.201 89 HG SER 12 HG SER 12 14.859 -5.215 -17.060 90 H GLY 13 HN GLY 13 14.163 -5.012 -11.824 91 HA2 GLY 13 HA1 GLY 13 16.484 -5.676 -10.301 92 HA3 GLY 13 HA2 GLY 13 16.573 -4.031 -10.914 93 H SER 14 HN SER 14 13.509 -5.474 -10.120 94 HA SER 14 HA SER 14 12.897 -3.380 -8.287 95 HB2 SER 14 HB1 SER 14 10.777 -4.628 -7.937 96 HB3 SER 14 HB2 SER 14 11.140 -4.379 -9.645 97 HG SER 14 HG SER 14 10.477 -6.587 -8.829 98 H SER 15 HN SER 15 13.967 -6.700 -7.972 99 HA SER 15 HA SER 15 13.431 -7.001 -5.211 100 HB2 SER 15 HB1 SER 15 15.247 -8.411 -7.150 101 HB3 SER 15 HB2 SER 15 15.284 -8.805 -5.431 102 HG SER 15 HG SER 15 13.255 -9.211 -7.315 103 H VAL 16 HN VAL 16 16.198 -5.776 -7.010 104 HA VAL 16 HA VAL 16 17.924 -5.560 -4.746 105 HB VAL 16 HB VAL 16 18.110 -4.090 -7.378 106 HG11 VAL 16 HG11 VAL 16 19.693 -3.007 -6.181 107 HG12 VAL 16 HG12 VAL 16 19.853 -4.313 -5.004 108 HG13 VAL 16 HG13 VAL 16 20.647 -4.436 -6.575 109 HG21 VAL 16 HG21 VAL 16 18.977 -6.835 -6.548 110 HG22 VAL 16 HG22 VAL 16 18.113 -6.334 -8.002 111 HG23 VAL 16 HG23 VAL 16 19.827 -5.961 -7.822 112 H ASN 17 HN ASN 17 15.782 -3.331 -6.461 113 HA ASN 17 HA ASN 17 16.505 -1.104 -4.773 114 HB2 ASN 17 HB1 ASN 17 14.896 -1.524 -7.192 115 HB3 ASN 17 HB2 ASN 17 14.214 -0.338 -6.083 116 HD21 ASN 17 HD21 ASN 17 15.466 1.498 -5.530 117 HD22 ASN 17 HD22 ASN 17 16.723 2.057 -6.576 118 H TRP 18 HN TRP 18 13.234 -2.255 -5.522 119 HA TRP 18 HA TRP 18 12.166 -1.394 -3.059 120 HB2 TRP 18 HB1 TRP 18 10.925 -3.551 -4.754 121 HB3 TRP 18 HB2 TRP 18 10.123 -2.329 -3.771 122 HD1 TRP 18 HD1 TRP 18 10.007 -2.989 -7.108 123 HE1 TRP 18 HE1 TRP 18 10.101 -0.923 -8.641 124 HE3 TRP 18 HE3 TRP 18 11.956 0.388 -3.801 125 HZ2 TRP 18 HZ2 TRP 18 10.897 1.780 -8.471 126 HZ3 TRP 18 HZ3 TRP 18 12.354 2.693 -4.566 127 HH2 TRP 18 HH2 TRP 18 11.835 3.372 -6.853 128 H GLY 19 HN GLY 19 12.850 -4.692 -4.246 129 HA2 GLY 19 HA1 GLY 19 12.124 -6.181 -2.075 130 HA3 GLY 19 HA2 GLY 19 13.507 -6.572 -3.087 131 H GLU 20 HN GLU 20 14.969 -4.149 -2.372 132 HA GLU 20 HA GLU 20 16.522 -5.092 -0.292 133 HB2 GLU 20 HB1 GLU 20 16.501 -2.828 -1.947 134 HB3 GLU 20 HB2 GLU 20 16.508 -2.201 -0.305 135 HG2 GLU 20 HG1 GLU 20 18.400 -4.386 -0.802 136 HG3 GLU 20 HG2 GLU 20 18.717 -2.900 -1.696 137 H ALA 21 HN ALA 21 13.776 -2.865 -0.169 138 HA ALA 21 HA ALA 21 13.971 -2.307 2.606 139 HB1 ALA 21 HB1 ALA 21 11.292 -1.992 1.857 140 HB2 ALA 21 HB2 ALA 21 12.538 -0.746 1.946 141 HB3 ALA 21 HB3 ALA 21 12.243 -1.591 0.426 142 H PHE 22 HN PHE 22 11.617 -4.324 0.833 143 HA PHE 22 HA PHE 22 10.328 -5.446 2.992 144 HB2 PHE 22 HB1 PHE 22 10.975 -6.740 0.335 145 HB3 PHE 22 HB2 PHE 22 9.789 -7.349 1.485 146 HD1 PHE 22 HD2 PHE 22 7.987 -5.550 2.225 147 HD2 PHE 22 HD1 PHE 22 10.231 -5.429 -1.390 148 HE1 PHE 22 HE2 PHE 22 6.265 -4.117 1.208 149 HE2 PHE 22 HE1 PHE 22 8.513 -3.994 -2.412 150 HZ PHE 22 HZ PHE 22 6.526 -3.337 -1.113 151 H SER 23 HN SER 23 13.455 -6.236 1.655 152 HA SER 23 HA SER 23 13.914 -8.748 2.701 153 HB2 SER 23 HB1 SER 23 15.450 -7.413 1.198 154 HB3 SER 23 HB2 SER 23 15.985 -6.546 2.637 155 HG SER 23 HG SER 23 16.765 -8.467 3.475 156 H ALA 24 HN ALA 24 13.910 -5.648 4.320 157 HA ALA 24 HA ALA 24 15.241 -6.272 6.674 158 HB1 ALA 24 HB1 ALA 24 12.818 -4.570 6.868 159 HB2 ALA 24 HB2 ALA 24 14.448 -4.298 7.486 160 HB3 ALA 24 HB3 ALA 24 14.101 -4.051 5.774 161 H GLY 25 HN GLY 25 11.958 -7.024 5.672 162 HA2 GLY 25 HA1 GLY 25 11.352 -8.162 8.300 163 HA3 GLY 25 HA2 GLY 25 10.213 -7.936 6.980 164 H VAL 26 HN VAL 26 11.946 -9.162 4.987 165 HA VAL 26 HA VAL 26 11.036 -11.785 5.090 166 HB VAL 26 HB VAL 26 13.450 -10.735 3.605 167 HG11 VAL 26 HG11 VAL 26 13.780 -12.937 3.253 168 HG12 VAL 26 HG12 VAL 26 12.123 -13.363 3.686 169 HG13 VAL 26 HG13 VAL 26 12.481 -12.736 2.077 170 HG21 VAL 26 HG21 VAL 26 10.714 -10.134 3.312 171 HG22 VAL 26 HG22 VAL 26 12.040 -9.702 2.233 172 HG23 VAL 26 HG23 VAL 26 11.145 -11.199 1.974 173 H HIS 27 HN HIS 27 14.120 -10.420 6.141 174 HA HIS 27 HA HIS 27 15.439 -12.835 6.697 175 HB2 HIS 27 HB1 HIS 27 16.333 -10.383 6.631 176 HB3 HIS 27 HB2 HIS 27 15.902 -10.366 8.339 177 HD1 HIS 27 HD1 HIS 27 18.586 -11.267 6.091 178 HD2 HIS 27 HD2 HIS 27 17.276 -12.516 9.831 179 HE1 HIS 27 HE1 HIS 27 20.529 -12.498 7.107 180 H ARG 28 HN ARG 28 13.429 -10.750 8.744 181 HA ARG 28 HA ARG 28 13.736 -12.301 11.099 182 HB2 ARG 28 HB1 ARG 28 11.940 -10.097 10.209 183 HB3 ARG 28 HB2 ARG 28 11.440 -11.049 11.601 184 HG2 ARG 28 HG1 ARG 28 12.590 -9.269 12.540 185 HG3 ARG 28 HG2 ARG 28 13.788 -10.565 12.519 186 HD2 ARG 28 HD1 ARG 28 14.716 -9.649 10.436 187 HD3 ARG 28 HD2 ARG 28 13.535 -8.341 10.496 188 HE ARG 28 HE ARG 28 15.960 -8.550 12.009 189 HH11 ARG 28 HH11 ARG 28 12.749 -7.207 11.955 190 HH12 ARG 28 HH12 ARG 28 13.137 -5.898 13.022 191 HH21 ARG 28 HH21 ARG 28 16.484 -6.830 13.414 192 HH22 ARG 28 HH22 ARG 28 15.263 -5.684 13.850 193 H LEU 29 HN LEU 29 11.275 -12.218 8.554 194 HA LEU 29 HA LEU 29 9.527 -14.093 9.738 195 HB2 LEU 29 HB1 LEU 29 9.925 -13.396 6.832 196 HB3 LEU 29 HB2 LEU 29 8.565 -14.309 7.483 197 HG LEU 29 HG LEU 29 9.100 -11.551 8.499 198 HD11 LEU 29 HD11 LEU 29 9.181 -11.378 6.048 199 HD12 LEU 29 HD12 LEU 29 7.754 -10.595 6.728 200 HD13 LEU 29 HD13 LEU 29 7.609 -12.173 5.953 201 HD21 LEU 29 HD21 LEU 29 7.056 -11.738 9.387 202 HD22 LEU 29 HD22 LEU 29 7.237 -13.466 9.085 203 HD23 LEU 29 HD23 LEU 29 6.380 -12.453 7.923 204 H ALA 30 HN ALA 30 12.453 -14.423 7.906 205 HA ALA 30 HA ALA 30 12.202 -17.008 6.910 206 HB1 ALA 30 HB1 ALA 30 14.472 -16.956 6.521 207 HB2 ALA 30 HB2 ALA 30 14.092 -15.237 6.631 208 HB3 ALA 30 HB3 ALA 30 14.816 -16.069 8.007 209 H ASN 31 HN ASN 31 12.666 -15.902 10.158 210 HA ASN 31 HA ASN 31 13.547 -18.473 11.149 211 HB2 ASN 31 HB1 ASN 31 14.410 -16.507 12.252 212 HB3 ASN 31 HB2 ASN 31 12.782 -15.911 12.560 213 HD21 ASN 31 HD21 ASN 31 15.093 -18.428 13.350 214 HD22 ASN 31 HD22 ASN 31 14.413 -18.830 14.887 215 H GLY 32 HN GLY 32 10.569 -16.739 10.743 216 HA2 GLY 32 HA1 GLY 32 8.887 -18.898 10.973 217 HA3 GLY 32 HA2 GLY 32 9.036 -18.275 12.610 218 H GLY 33 HN GLY 33 7.517 -17.919 9.580 219 HA2 GLY 33 HA1 GLY 33 5.377 -16.478 10.235 220 HA3 GLY 33 HA2 GLY 33 6.589 -15.210 10.119 221 H ASN 34 HN ASN 34 6.262 -18.120 8.127 222 HA ASN 34 HA ASN 34 5.992 -18.406 5.887 223 HB2 ASN 34 HB1 ASN 34 4.625 -15.740 5.705 224 HB3 ASN 34 HB2 ASN 34 4.274 -17.228 4.831 225 HD21 ASN 34 HD21 ASN 34 2.970 -18.762 5.747 226 HD22 ASN 34 HD22 ASN 34 2.073 -18.493 7.199 227 H GLY 35 HN GLY 35 8.384 -17.163 6.811 228 HA2 GLY 35 HA1 GLY 35 9.176 -14.887 5.423 229 HA3 GLY 35 HA2 GLY 35 10.260 -16.172 5.936 230 H PHE 36 HN PHE 36 8.840 -18.174 4.292 231 HA PHE 36 HA PHE 36 10.092 -17.466 1.739 232 HB2 PHE 36 HB1 PHE 36 10.472 -19.681 3.172 233 HB3 PHE 36 HB2 PHE 36 9.061 -20.211 2.263 234 HD1 PHE 36 HD2 PHE 36 12.339 -18.528 1.679 235 HD2 PHE 36 HD1 PHE 36 9.416 -21.282 0.268 236 HE1 PHE 36 HE2 PHE 36 13.785 -19.078 -0.234 237 HE2 PHE 36 HE1 PHE 36 10.858 -21.837 -1.647 238 HZ PHE 36 HZ PHE 36 13.045 -20.734 -1.900 239 H TRP 37 HN TRP 37 7.405 -16.559 2.670 240 HA TRP 37 HA TRP 37 5.987 -17.199 0.222 241 HB2 TRP 37 HB1 TRP 37 5.215 -18.276 2.847 242 HB3 TRP 37 HB2 TRP 37 3.910 -17.461 1.989 243 HD1 TRP 37 HD1 TRP 37 6.223 -20.503 1.727 244 HE1 TRP 37 HE1 TRP 37 5.242 -22.133 -0.007 245 HE3 TRP 37 HE3 TRP 37 2.432 -17.585 -0.074 246 HZ2 TRP 37 HZ2 TRP 37 3.139 -22.175 -1.890 247 HZ3 TRP 37 HZ3 TRP 37 0.981 -18.494 -1.841 248 HH2 TRP 37 HH2 TRP 37 1.329 -20.741 -2.729 Start of MODEL 19 1 H1 LYS 1 HN LYS 1 5.148 0.194 -1.642 2 HA LYS 1 HA LYS 1 6.754 -0.333 -4.055 3 HB2 LYS 1 HB1 LYS 1 7.679 0.044 -1.208 4 HB3 LYS 1 HB2 LYS 1 8.684 -0.698 -2.446 5 HG2 LYS 1 HG1 LYS 1 8.278 1.441 -3.792 6 HG3 LYS 1 HG2 LYS 1 7.709 2.129 -2.270 7 HD2 LYS 1 HD1 LYS 1 10.377 0.765 -2.501 8 HD3 LYS 1 HD2 LYS 1 10.168 2.477 -2.876 9 HE2 LYS 1 HE1 LYS 1 9.281 2.852 -0.621 10 HE3 LYS 1 HE2 LYS 1 9.509 1.143 -0.251 11 HZ1 LYS 1 HZ1 LYS 1 11.848 1.380 -0.437 12 HZ2 LYS 1 HZ2 LYS 1 11.308 2.636 0.560 13 HZ3 LYS 1 HZ3 LYS 1 11.719 2.952 -1.051 14 H TYR 2 HN TYR 2 5.905 -2.271 -4.639 15 HA TYR 2 HA TYR 2 6.526 -4.534 -2.945 16 HB2 TYR 2 HB1 TYR 2 3.685 -3.900 -3.759 17 HB3 TYR 2 HB2 TYR 2 4.206 -5.473 -3.165 18 HD1 TYR 2 HD1 TYR 2 4.826 -5.778 -0.824 19 HD2 TYR 2 HD2 TYR 2 3.479 -2.008 -2.265 20 HE1 TYR 2 HE1 TYR 2 4.471 -5.026 1.491 21 HE2 TYR 2 HE2 TYR 2 3.122 -1.246 0.046 22 HH TYR 2 HH TYR 2 4.342 -2.172 2.498 23 H TYR 3 HN TYR 3 5.407 -6.576 -4.214 24 HA TYR 3 HA TYR 3 6.750 -6.558 -6.770 25 HB2 TYR 3 HB1 TYR 3 7.033 -8.524 -5.435 26 HB3 TYR 3 HB2 TYR 3 5.295 -8.710 -5.229 27 HD1 TYR 3 HD1 TYR 3 3.920 -9.626 -7.015 28 HD2 TYR 3 HD2 TYR 3 8.126 -9.197 -7.495 29 HE1 TYR 3 HE1 TYR 3 3.841 -11.106 -8.977 30 HE2 TYR 3 HE2 TYR 3 8.058 -10.675 -9.459 31 HH TYR 3 HH TYR 3 5.008 -12.127 -10.562 32 H GLY 4 HN GLY 4 5.760 -5.760 -8.502 33 HA2 GLY 4 HA1 GLY 4 4.043 -6.323 -10.183 34 HA3 GLY 4 HA2 GLY 4 2.890 -6.373 -8.857 35 H ASN 5 HN ASN 5 5.331 -3.914 -8.897 36 HA ASN 5 HA ASN 5 3.709 -1.957 -10.243 37 HB2 ASN 5 HB1 ASN 5 3.807 -0.491 -8.057 38 HB3 ASN 5 HB2 ASN 5 2.495 -1.641 -8.302 39 HD21 ASN 5 HD21 ASN 5 2.463 -3.554 -7.116 40 HD22 ASN 5 HD22 ASN 5 3.407 -3.754 -5.682 41 H GLY 6 HN GLY 6 4.864 -0.147 -10.839 42 HA2 GLY 6 HA1 GLY 6 6.739 1.369 -10.434 43 HA3 GLY 6 HA2 GLY 6 7.663 -0.028 -9.902 44 H VAL 7 HN VAL 7 6.669 1.882 -12.576 45 HA VAL 7 HA VAL 7 7.461 0.033 -14.621 46 HB VAL 7 HB VAL 7 7.212 1.922 -16.165 47 HG11 VAL 7 HG11 VAL 7 5.240 0.626 -14.850 48 HG12 VAL 7 HG12 VAL 7 4.835 2.302 -14.472 49 HG13 VAL 7 HG13 VAL 7 4.964 1.782 -16.153 50 HG21 VAL 7 HG21 VAL 7 7.874 3.882 -15.241 51 HG22 VAL 7 HG22 VAL 7 6.154 4.019 -14.877 52 HG23 VAL 7 HG23 VAL 7 7.275 3.456 -13.638 53 H HIS 8 HN HIS 8 8.992 2.612 -12.818 54 HA HIS 8 HA HIS 8 11.336 2.666 -14.505 55 HB2 HIS 8 HB1 HIS 8 12.223 4.225 -12.771 56 HB3 HIS 8 HB2 HIS 8 10.675 4.730 -13.442 57 HD1 HIS 8 HD1 HIS 8 8.695 4.876 -11.852 58 HD2 HIS 8 HD2 HIS 8 12.116 3.325 -10.078 59 HE1 HIS 8 HE1 HIS 8 8.205 4.816 -9.387 60 H SER 9 HN SER 9 10.300 1.104 -11.571 61 HA SER 9 HA SER 9 12.927 0.283 -10.756 62 HB2 SER 9 HB1 SER 9 10.481 -1.148 -9.813 63 HB3 SER 9 HB2 SER 9 11.908 -0.647 -8.907 64 HG SER 9 HG SER 9 10.943 1.155 -8.447 65 H THR 10 HN THR 10 10.295 -1.104 -12.617 66 HA THR 10 HA THR 10 11.285 -3.755 -12.715 67 HB THR 10 HB THR 10 8.952 -3.232 -13.257 68 HG1 THR 10 HG1 THR 10 8.883 -4.515 -15.214 69 HG21 THR 10 HG21 THR 10 10.194 -1.766 -15.573 70 HG22 THR 10 HG22 THR 10 9.047 -1.160 -14.378 71 HG23 THR 10 HG23 THR 10 8.520 -2.318 -15.599 72 H LYS 11 HN LYS 11 12.208 -0.867 -14.316 73 HA LYS 11 HA LYS 11 13.203 -1.784 -16.739 74 HB2 LYS 11 HB1 LYS 11 13.109 0.622 -15.609 75 HB3 LYS 11 HB2 LYS 11 14.785 0.243 -15.231 76 HG2 LYS 11 HG1 LYS 11 15.455 0.456 -17.368 77 HG3 LYS 11 HG2 LYS 11 13.970 -0.244 -18.017 78 HD2 LYS 11 HD1 LYS 11 13.755 2.412 -16.720 79 HD3 LYS 11 HD2 LYS 11 14.586 2.344 -18.275 80 HE2 LYS 11 HE1 LYS 11 11.881 1.110 -17.823 81 HE3 LYS 11 HE2 LYS 11 12.086 2.785 -18.333 82 HZ1 LYS 11 HZ1 LYS 11 13.115 2.095 -20.329 83 HZ2 LYS 11 HZ2 LYS 11 11.728 1.141 -20.163 84 HZ3 LYS 11 HZ3 LYS 11 13.249 0.491 -19.808 85 H SER 12 HN SER 12 15.168 -1.194 -13.817 86 HA SER 12 HA SER 12 17.383 -2.675 -14.802 87 HB2 SER 12 HB1 SER 12 16.819 -1.957 -11.919 88 HB3 SER 12 HB2 SER 12 18.388 -2.293 -12.650 89 HG SER 12 HG SER 12 17.305 0.037 -12.381 90 H GLY 13 HN GLY 13 14.711 -3.426 -12.621 91 HA2 GLY 13 HA1 GLY 13 14.593 -6.128 -13.181 92 HA3 GLY 13 HA2 GLY 13 15.706 -5.978 -11.830 93 H SER 14 HN SER 14 12.440 -6.042 -12.813 94 HA SER 14 HA SER 14 11.212 -4.757 -10.631 95 HB2 SER 14 HB1 SER 14 9.328 -6.544 -11.311 96 HB3 SER 14 HB2 SER 14 9.662 -5.107 -12.277 97 HG SER 14 HG SER 14 10.209 -6.391 -13.832 98 H SER 15 HN SER 15 11.665 -8.247 -11.222 99 HA SER 15 HA SER 15 10.846 -9.007 -8.614 100 HB2 SER 15 HB1 SER 15 10.918 -10.440 -10.757 101 HB3 SER 15 HB2 SER 15 12.625 -10.677 -10.382 102 HG SER 15 HG SER 15 10.441 -11.300 -8.677 103 H VAL 16 HN VAL 16 13.921 -8.158 -10.037 104 HA VAL 16 HA VAL 16 15.550 -9.162 -7.925 105 HB VAL 16 HB VAL 16 16.172 -7.019 -9.963 106 HG11 VAL 16 HG11 VAL 16 18.496 -8.379 -9.183 107 HG12 VAL 16 HG12 VAL 16 18.057 -6.707 -8.829 108 HG13 VAL 16 HG13 VAL 16 17.638 -7.990 -7.693 109 HG21 VAL 16 HG21 VAL 16 16.278 -9.993 -10.018 110 HG22 VAL 16 HG22 VAL 16 15.828 -8.856 -11.289 111 HG23 VAL 16 HG23 VAL 16 17.526 -9.088 -10.874 112 H ASN 17 HN ASN 17 13.893 -6.141 -8.535 113 HA ASN 17 HA ASN 17 15.232 -4.685 -6.459 114 HB2 ASN 17 HB1 ASN 17 12.955 -4.167 -8.315 115 HB3 ASN 17 HB2 ASN 17 13.077 -3.178 -6.863 116 HD21 ASN 17 HD21 ASN 17 14.034 -1.328 -7.236 117 HD22 ASN 17 HD22 ASN 17 15.350 -1.056 -8.323 118 H TRP 18 HN TRP 18 11.741 -5.290 -6.740 119 HA TRP 18 HA TRP 18 11.154 -4.983 -4.050 120 HB2 TRP 18 HB1 TRP 18 9.663 -6.875 -5.867 121 HB3 TRP 18 HB2 TRP 18 9.026 -5.940 -4.517 122 HD1 TRP 18 HD1 TRP 18 8.496 -5.925 -7.945 123 HE1 TRP 18 HE1 TRP 18 8.158 -3.579 -8.948 124 HE3 TRP 18 HE3 TRP 18 10.464 -3.127 -4.146 125 HZ2 TRP 18 HZ2 TRP 18 8.661 -0.897 -8.225 126 HZ3 TRP 18 HZ3 TRP 18 10.498 -0.678 -4.380 127 HH2 TRP 18 HH2 TRP 18 9.615 0.412 -6.379 128 H GLY 19 HN GLY 19 12.120 -7.885 -5.817 129 HA2 GLY 19 HA1 GLY 19 11.618 -9.838 -3.928 130 HA3 GLY 19 HA2 GLY 19 12.957 -9.887 -5.065 131 H GLU 20 HN GLU 20 14.431 -7.692 -4.147 132 HA GLU 20 HA GLU 20 16.012 -8.833 -2.177 133 HB2 GLU 20 HB1 GLU 20 16.138 -6.567 -3.752 134 HB3 GLU 20 HB2 GLU 20 16.052 -5.911 -2.123 135 HG2 GLU 20 HG1 GLU 20 17.939 -8.128 -2.446 136 HG3 GLU 20 HG2 GLU 20 18.331 -6.681 -3.374 137 H ALA 21 HN ALA 21 13.376 -6.497 -1.860 138 HA ALA 21 HA ALA 21 13.675 -6.079 0.928 139 HB1 ALA 21 HB1 ALA 21 11.809 -4.752 0.794 140 HB2 ALA 21 HB2 ALA 21 12.345 -4.733 -0.887 141 HB3 ALA 21 HB3 ALA 21 11.021 -5.790 -0.396 142 H PHE 22 HN PHE 22 11.191 -7.928 -0.853 143 HA PHE 22 HA PHE 22 9.974 -9.112 1.336 144 HB2 PHE 22 HB1 PHE 22 10.338 -10.269 -1.436 145 HB3 PHE 22 HB2 PHE 22 9.175 -10.836 -0.242 146 HD1 PHE 22 HD1 PHE 22 7.775 -8.703 0.785 147 HD2 PHE 22 HD2 PHE 22 9.426 -9.035 -3.125 148 HE1 PHE 22 HE1 PHE 22 6.130 -7.072 -0.044 149 HE2 PHE 22 HE2 PHE 22 7.784 -7.404 -3.960 150 HZ PHE 22 HZ PHE 22 6.134 -6.420 -2.419 151 H SER 23 HN SER 23 12.961 -9.917 -0.258 152 HA SER 23 HA SER 23 13.291 -12.545 0.674 153 HB2 SER 23 HB1 SER 23 14.672 -11.404 -1.101 154 HB3 SER 23 HB2 SER 23 15.509 -10.546 0.192 155 HG SER 23 HG SER 23 16.653 -12.410 -0.372 156 H ALA 24 HN ALA 24 14.014 -9.427 2.138 157 HA ALA 24 HA ALA 24 15.484 -10.413 4.346 158 HB1 ALA 24 HB1 ALA 24 13.865 -7.875 4.278 159 HB2 ALA 24 HB2 ALA 24 15.276 -8.232 5.275 160 HB3 ALA 24 HB3 ALA 24 15.455 -8.041 3.531 161 H GLY 25 HN GLY 25 12.058 -9.522 3.970 162 HA2 GLY 25 HA1 GLY 25 11.235 -9.993 6.592 163 HA3 GLY 25 HA2 GLY 25 10.201 -10.122 5.177 164 H VAL 26 HN VAL 26 12.123 -12.245 4.135 165 HA VAL 26 HA VAL 26 10.657 -14.489 5.027 166 HB VAL 26 HB VAL 26 13.300 -14.413 3.566 167 HG11 VAL 26 HG11 VAL 26 11.360 -16.635 4.130 168 HG12 VAL 26 HG12 VAL 26 12.495 -16.701 2.781 169 HG13 VAL 26 HG13 VAL 26 13.096 -16.585 4.435 170 HG21 VAL 26 HG21 VAL 26 12.079 -13.575 1.897 171 HG22 VAL 26 HG22 VAL 26 11.318 -15.162 1.795 172 HG23 VAL 26 HG23 VAL 26 10.564 -13.882 2.745 173 H HIS 27 HN HIS 27 14.001 -13.455 5.672 174 HA HIS 27 HA HIS 27 14.743 -15.559 7.338 175 HB2 HIS 27 HB1 HIS 27 16.299 -13.853 6.415 176 HB3 HIS 27 HB2 HIS 27 15.643 -12.678 7.552 177 HD1 HIS 27 HD1 HIS 27 16.756 -12.560 9.773 178 HD2 HIS 27 HD2 HIS 27 17.619 -16.100 7.775 179 HE1 HIS 27 HE1 HIS 27 18.475 -13.729 11.188 180 H ARG 28 HN ARG 28 12.662 -12.867 7.929 181 HA ARG 28 HA ARG 28 12.835 -12.743 10.738 182 HB2 ARG 28 HB1 ARG 28 10.407 -12.134 9.045 183 HB3 ARG 28 HB2 ARG 28 10.758 -11.515 10.653 184 HG2 ARG 28 HG1 ARG 28 12.441 -10.945 8.225 185 HG3 ARG 28 HG2 ARG 28 11.155 -9.891 8.816 186 HD2 ARG 28 HD1 ARG 28 12.331 -9.696 10.967 187 HD3 ARG 28 HD2 ARG 28 13.626 -10.713 10.338 188 HE ARG 28 HE ARG 28 13.301 -8.566 8.590 189 HH11 ARG 28 HH11 ARG 28 14.294 -9.153 11.874 190 HH12 ARG 28 HH12 ARG 28 15.360 -7.788 11.934 191 HH21 ARG 28 HH21 ARG 28 14.701 -6.766 8.656 192 HH22 ARG 28 HH22 ARG 28 15.590 -6.431 10.103 193 H LEU 29 HN LEU 29 10.624 -14.525 8.600 194 HA LEU 29 HA LEU 29 9.079 -15.711 10.621 195 HB2 LEU 29 HB1 LEU 29 8.137 -17.016 8.963 196 HB3 LEU 29 HB2 LEU 29 8.684 -15.592 8.081 197 HG LEU 29 HG LEU 29 10.829 -17.250 7.813 198 HD11 LEU 29 HD11 LEU 29 8.786 -18.914 8.754 199 HD12 LEU 29 HD12 LEU 29 10.325 -19.396 8.041 200 HD13 LEU 29 HD13 LEU 29 8.898 -19.221 7.021 201 HD21 LEU 29 HD21 LEU 29 9.744 -15.942 6.055 202 HD22 LEU 29 HD22 LEU 29 8.410 -17.094 6.016 203 HD23 LEU 29 HD23 LEU 29 10.030 -17.603 5.537 204 H ALA 30 HN ALA 30 12.236 -16.439 9.412 205 HA ALA 30 HA ALA 30 12.490 -19.131 10.073 206 HB1 ALA 30 HB1 ALA 30 14.132 -17.549 8.863 207 HB2 ALA 30 HB2 ALA 30 14.746 -17.206 10.481 208 HB3 ALA 30 HB3 ALA 30 14.785 -18.854 9.855 209 H ASN 31 HN ASN 31 13.117 -16.260 12.077 210 HA ASN 31 HA ASN 31 13.523 -17.950 14.416 211 HB2 ASN 31 HB1 ASN 31 14.926 -15.863 13.812 212 HB3 ASN 31 HB2 ASN 31 13.554 -14.941 14.421 213 HD21 ASN 31 HD21 ASN 31 15.862 -17.462 15.287 214 HD22 ASN 31 HD22 ASN 31 15.893 -17.102 16.977 215 H GLY 32 HN GLY 32 11.152 -15.811 13.019 216 HA2 GLY 32 HA1 GLY 32 8.831 -16.376 13.759 217 HA3 GLY 32 HA2 GLY 32 9.447 -16.225 15.398 218 H GLY 33 HN GLY 33 9.165 -14.355 12.378 219 HA2 GLY 33 HA1 GLY 33 8.439 -12.026 14.034 220 HA3 GLY 33 HA2 GLY 33 9.621 -11.868 12.743 221 H ASN 34 HN ASN 34 8.525 -10.471 11.440 222 HA ASN 34 HA ASN 34 5.799 -11.143 10.631 223 HB2 ASN 34 HB1 ASN 34 7.490 -8.691 10.531 224 HB3 ASN 34 HB2 ASN 34 6.243 -8.874 9.301 225 HD21 ASN 34 HD21 ASN 34 4.235 -8.316 9.797 226 HD22 ASN 34 HD22 ASN 34 3.657 -7.960 11.386 227 H GLY 35 HN GLY 35 6.497 -13.043 9.431 228 HA2 GLY 35 HA1 GLY 35 7.378 -12.296 6.721 229 HA3 GLY 35 HA2 GLY 35 8.131 -13.654 7.544 230 H PHE 36 HN PHE 36 7.473 -15.402 6.456 231 HA PHE 36 HA PHE 36 6.093 -17.072 5.750 232 HB2 PHE 36 HB1 PHE 36 4.768 -16.035 7.918 233 HB3 PHE 36 HB2 PHE 36 3.560 -15.887 6.645 234 HD1 PHE 36 HD1 PHE 36 6.040 -18.408 7.846 235 HD2 PHE 36 HD2 PHE 36 2.106 -17.637 6.416 236 HE1 PHE 36 HE1 PHE 36 5.482 -20.790 8.107 237 HE2 PHE 36 HE2 PHE 36 1.542 -20.017 6.675 238 HZ PHE 36 HZ PHE 36 3.230 -21.597 7.522 239 H TRP 37 HN TRP 37 6.725 -14.935 4.040 240 HA TRP 37 HA TRP 37 4.326 -14.160 2.627 241 HB2 TRP 37 HB1 TRP 37 5.615 -12.564 1.704 242 HB3 TRP 37 HB2 TRP 37 6.841 -13.061 2.868 243 HD1 TRP 37 HD1 TRP 37 8.509 -15.154 1.859 244 HE1 TRP 37 HE1 TRP 37 9.581 -15.274 -0.478 245 HE3 TRP 37 HE3 TRP 37 5.431 -11.906 -0.613 246 HZ2 TRP 37 HZ2 TRP 37 9.175 -14.141 -3.032 247 HZ3 TRP 37 HZ3 TRP 37 5.841 -11.478 -3.001 248 HH2 TRP 37 HH2 TRP 37 7.675 -12.573 -4.183 Start of MODEL 20 1 H1 LYS 1 HN LYS 1 2.492 -0.024 -5.558 2 HA LYS 1 HA LYS 1 0.239 -0.205 -3.677 3 HB2 LYS 1 HB1 LYS 1 -0.090 0.126 -6.224 4 HB3 LYS 1 HB2 LYS 1 0.352 -1.571 -6.352 5 HG2 LYS 1 HG1 LYS 1 -1.516 -2.227 -5.008 6 HG3 LYS 1 HG2 LYS 1 -1.905 -0.543 -4.647 7 HD2 LYS 1 HD1 LYS 1 -2.117 -0.283 -7.209 8 HD3 LYS 1 HD2 LYS 1 -2.219 -2.045 -7.224 9 HE2 LYS 1 HE1 LYS 1 -4.128 -1.951 -5.703 10 HE3 LYS 1 HE2 LYS 1 -4.016 -0.192 -5.660 11 HZ1 LYS 1 HZ1 LYS 1 -4.977 0.005 -7.666 12 HZ2 LYS 1 HZ2 LYS 1 -5.597 -1.532 -7.330 13 HZ3 LYS 1 HZ3 LYS 1 -4.223 -1.370 -8.303 14 H TYR 2 HN TYR 2 3.086 -1.767 -4.686 15 HA TYR 2 HA TYR 2 2.273 -4.437 -3.967 16 HB2 TYR 2 HB1 TYR 2 4.773 -3.149 -4.945 17 HB3 TYR 2 HB2 TYR 2 4.926 -4.674 -4.081 18 HD1 TYR 2 HD2 TYR 2 2.894 -6.386 -4.921 19 HD2 TYR 2 HD1 TYR 2 4.851 -3.395 -7.229 20 HE1 TYR 2 HE2 TYR 2 2.329 -7.611 -6.977 21 HE2 TYR 2 HE1 TYR 2 4.291 -4.611 -9.292 22 HH TYR 2 HH TYR 2 3.541 -7.627 -9.502 23 H TYR 3 HN TYR 3 5.068 -2.622 -2.741 24 HA TYR 3 HA TYR 3 4.169 -3.017 0.002 25 HB2 TYR 3 HB1 TYR 3 5.386 -5.045 -0.312 26 HB3 TYR 3 HB2 TYR 3 6.703 -4.208 -1.126 27 HD1 TYR 3 HD1 TYR 3 5.170 -4.975 2.112 28 HD2 TYR 3 HD2 TYR 3 8.372 -2.984 0.141 29 HE1 TYR 3 HE1 TYR 3 6.348 -4.756 4.260 30 HE2 TYR 3 HE2 TYR 3 9.559 -2.760 2.284 31 HH TYR 3 HH TYR 3 9.292 -2.876 4.557 32 H GLY 4 HN GLY 4 6.850 -1.901 -2.058 33 HA2 GLY 4 HA1 GLY 4 6.744 0.764 -1.273 34 HA3 GLY 4 HA2 GLY 4 7.862 -0.034 -0.178 35 H ASN 5 HN ASN 5 7.189 0.020 -3.683 36 HA ASN 5 HA ASN 5 10.021 -0.287 -4.241 37 HB2 ASN 5 HB1 ASN 5 9.381 -0.577 -6.534 38 HB3 ASN 5 HB2 ASN 5 8.241 -1.489 -5.550 39 HD21 ASN 5 HD21 ASN 5 8.641 0.954 -7.864 40 HD22 ASN 5 HD22 ASN 5 6.991 1.455 -7.971 41 H GLY 6 HN GLY 6 10.315 1.152 -6.573 42 HA2 GLY 6 HA1 GLY 6 9.835 3.520 -7.267 43 HA3 GLY 6 HA2 GLY 6 10.123 3.930 -5.583 44 H VAL 7 HN VAL 7 12.353 2.688 -4.882 45 HA VAL 7 HA VAL 7 14.381 4.167 -6.212 46 HB VAL 7 HB VAL 7 15.954 2.912 -4.736 47 HG11 VAL 7 HG11 VAL 7 14.276 4.932 -4.116 48 HG12 VAL 7 HG12 VAL 7 13.831 3.755 -2.878 49 HG13 VAL 7 HG13 VAL 7 15.503 4.300 -3.019 50 HG21 VAL 7 HG21 VAL 7 14.022 1.746 -2.987 51 HG22 VAL 7 HG22 VAL 7 13.801 1.089 -4.609 52 HG23 VAL 7 HG23 VAL 7 15.373 0.974 -3.818 53 H HIS 8 HN HIS 8 13.083 0.999 -6.627 54 HA HIS 8 HA HIS 8 15.367 -0.074 -8.011 55 HB2 HIS 8 HB1 HIS 8 12.522 -1.094 -7.860 56 HB3 HIS 8 HB2 HIS 8 13.901 -1.990 -8.490 57 HD1 HIS 8 HD1 HIS 8 12.597 -0.556 -5.243 58 HD2 HIS 8 HD2 HIS 8 15.360 -3.342 -6.608 59 HE1 HIS 8 HE1 HIS 8 13.411 -1.757 -3.189 60 H SER 9 HN SER 9 14.496 -1.275 -10.225 61 HA SER 9 HA SER 9 12.942 0.426 -11.921 62 HB2 SER 9 HB1 SER 9 15.796 0.888 -11.736 63 HB3 SER 9 HB2 SER 9 15.342 0.407 -13.370 64 HG SER 9 HG SER 9 14.863 2.467 -13.497 65 H THR 10 HN THR 10 13.043 -0.357 -14.240 66 HA THR 10 HA THR 10 12.622 -3.155 -14.284 67 HB THR 10 HB THR 10 11.413 -1.675 -15.803 68 HG1 THR 10 HG1 THR 10 11.543 -3.032 -17.550 69 HG21 THR 10 HG21 THR 10 13.835 -1.341 -17.517 70 HG22 THR 10 HG22 THR 10 13.596 -0.252 -16.151 71 HG23 THR 10 HG23 THR 10 12.379 -0.352 -17.422 72 H LYS 11 HN LYS 11 15.399 -1.180 -14.857 73 HA LYS 11 HA LYS 11 16.923 -2.782 -16.537 74 HB2 LYS 11 HB1 LYS 11 17.926 -1.130 -14.211 75 HB3 LYS 11 HB2 LYS 11 18.877 -1.667 -15.589 76 HG2 LYS 11 HG1 LYS 11 16.454 0.059 -15.945 77 HG3 LYS 11 HG2 LYS 11 18.035 0.747 -15.567 78 HD2 LYS 11 HD1 LYS 11 17.562 -1.120 -17.883 79 HD3 LYS 11 HD2 LYS 11 17.439 0.636 -18.019 80 HE2 LYS 11 HE1 LYS 11 19.787 0.743 -17.092 81 HE3 LYS 11 HE2 LYS 11 19.862 -1.005 -17.310 82 HZ1 LYS 11 HZ1 LYS 11 19.879 1.119 -19.308 83 HZ2 LYS 11 HZ2 LYS 11 19.056 -0.301 -19.716 84 HZ3 LYS 11 HZ3 LYS 11 20.694 -0.364 -19.298 85 H SER 12 HN SER 12 17.081 -2.705 -12.971 86 HA SER 12 HA SER 12 18.727 -4.979 -12.743 87 HB2 SER 12 HB1 SER 12 18.346 -3.227 -10.966 88 HB3 SER 12 HB2 SER 12 16.779 -3.976 -10.657 89 HG SER 12 HG SER 12 17.800 -5.822 -9.988 90 H GLY 13 HN GLY 13 15.302 -4.602 -13.147 91 HA2 GLY 13 HA1 GLY 13 14.598 -6.985 -14.092 92 HA3 GLY 13 HA2 GLY 13 14.752 -7.361 -12.382 93 H SER 14 HN SER 14 12.647 -6.397 -14.765 94 HA SER 14 HA SER 14 10.961 -4.587 -13.435 95 HB2 SER 14 HB1 SER 14 9.198 -5.685 -15.051 96 HB3 SER 14 HB2 SER 14 10.516 -4.713 -15.706 97 HG SER 14 HG SER 14 10.010 -7.392 -15.973 98 H SER 15 HN SER 15 10.411 -8.072 -13.974 99 HA SER 15 HA SER 15 8.331 -8.197 -12.026 100 HB2 SER 15 HB1 SER 15 9.755 -10.150 -13.769 101 HB3 SER 15 HB2 SER 15 8.905 -10.783 -12.360 102 HG SER 15 HG SER 15 7.908 -9.682 -14.685 103 H VAL 16 HN VAL 16 11.776 -8.733 -11.991 104 HA VAL 16 HA VAL 16 11.890 -10.150 -9.528 105 HB VAL 16 HB VAL 16 14.076 -8.476 -10.766 106 HG11 VAL 16 HG11 VAL 16 15.314 -10.557 -9.601 107 HG12 VAL 16 HG12 VAL 16 15.007 -9.025 -8.781 108 HG13 VAL 16 HG13 VAL 16 13.924 -10.394 -8.529 109 HG21 VAL 16 HG21 VAL 16 13.281 -11.334 -11.295 110 HG22 VAL 16 HG22 VAL 16 13.306 -9.999 -12.447 111 HG23 VAL 16 HG23 VAL 16 14.818 -10.627 -11.791 112 H ASN 17 HN ASN 17 11.630 -6.804 -10.372 113 HA ASN 17 HA ASN 17 12.619 -5.710 -7.943 114 HB2 ASN 17 HB1 ASN 17 12.536 -4.282 -9.860 115 HB3 ASN 17 HB2 ASN 17 10.819 -4.593 -10.096 116 HD21 ASN 17 HD21 ASN 17 10.530 -2.312 -10.086 117 HD22 ASN 17 HD22 ASN 17 10.471 -1.443 -8.594 118 H TRP 18 HN TRP 18 9.304 -6.204 -9.155 119 HA TRP 18 HA TRP 18 7.899 -5.315 -6.953 120 HB2 TRP 18 HB1 TRP 18 7.080 -7.729 -8.569 121 HB3 TRP 18 HB2 TRP 18 6.036 -6.560 -7.764 122 HD1 TRP 18 HD1 TRP 18 6.628 -7.426 -11.075 123 HE1 TRP 18 HE1 TRP 18 6.585 -5.435 -12.705 124 HE3 TRP 18 HE3 TRP 18 7.223 -3.616 -7.719 125 HZ2 TRP 18 HZ2 TRP 18 6.779 -2.622 -12.585 126 HZ3 TRP 18 HZ3 TRP 18 7.284 -1.304 -8.559 127 HH2 TRP 18 HH2 TRP 18 7.067 -0.819 -10.942 128 H GLY 19 HN GLY 19 9.210 -8.562 -7.551 129 HA2 GLY 19 HA1 GLY 19 8.234 -9.637 -5.086 130 HA3 GLY 19 HA2 GLY 19 9.405 -10.390 -6.158 131 H GLU 20 HN GLU 20 11.179 -8.032 -6.070 132 HA GLU 20 HA GLU 20 12.864 -8.836 -3.990 133 HB2 GLU 20 HB1 GLU 20 12.779 -6.597 -5.916 134 HB3 GLU 20 HB2 GLU 20 13.723 -6.309 -4.461 135 HG2 GLU 20 HG1 GLU 20 14.113 -8.789 -6.088 136 HG3 GLU 20 HG2 GLU 20 14.901 -7.274 -6.524 137 H ALA 21 HN ALA 21 10.397 -6.341 -4.132 138 HA ALA 21 HA ALA 21 11.026 -4.958 -1.780 139 HB1 ALA 21 HB1 ALA 21 9.230 -3.748 -2.303 140 HB2 ALA 21 HB2 ALA 21 9.068 -4.785 -3.720 141 HB3 ALA 21 HB3 ALA 21 8.169 -5.155 -2.249 142 H PHE 22 HN PHE 22 8.556 -7.496 -2.240 143 HA PHE 22 HA PHE 22 8.012 -7.790 0.517 144 HB2 PHE 22 HB1 PHE 22 7.565 -9.802 -1.698 145 HB3 PHE 22 HB2 PHE 22 6.779 -9.793 -0.123 146 HD1 PHE 22 HD2 PHE 22 5.042 -8.181 0.393 147 HD2 PHE 22 HD1 PHE 22 6.914 -8.261 -3.429 148 HE1 PHE 22 HE2 PHE 22 3.238 -6.777 -0.516 149 HE2 PHE 22 HE1 PHE 22 5.113 -6.855 -4.343 150 HZ PHE 22 HZ PHE 22 3.271 -6.113 -2.887 151 H SER 23 HN SER 23 10.372 -9.218 -1.612 152 HA SER 23 HA SER 23 11.089 -11.461 -0.098 153 HB2 SER 23 HB1 SER 23 11.869 -11.193 -2.380 154 HB3 SER 23 HB2 SER 23 12.773 -9.745 -1.938 155 HG SER 23 HG SER 23 14.327 -11.159 -1.693 156 H ALA 24 HN ALA 24 11.994 -8.087 0.181 157 HA ALA 24 HA ALA 24 14.173 -8.389 1.939 158 HB1 ALA 24 HB1 ALA 24 14.198 -6.120 2.062 159 HB2 ALA 24 HB2 ALA 24 13.184 -6.299 0.630 160 HB3 ALA 24 HB3 ALA 24 12.445 -5.995 2.202 161 H GLY 25 HN GLY 25 10.699 -8.014 2.521 162 HA2 GLY 25 HA1 GLY 25 10.940 -7.877 5.363 163 HA3 GLY 25 HA2 GLY 25 9.460 -8.158 4.458 164 H VAL 26 HN VAL 26 10.292 -10.494 3.079 165 HA VAL 26 HA VAL 26 9.543 -12.484 4.867 166 HB VAL 26 HB VAL 26 11.175 -12.831 2.348 167 HG11 VAL 26 HG11 VAL 26 9.701 -15.057 2.506 168 HG12 VAL 26 HG12 VAL 26 11.316 -14.924 3.205 169 HG13 VAL 26 HG13 VAL 26 9.891 -14.721 4.226 170 HG21 VAL 26 HG21 VAL 26 8.514 -11.911 2.725 171 HG22 VAL 26 HG22 VAL 26 9.359 -12.243 1.213 172 HG23 VAL 26 HG23 VAL 26 8.443 -13.522 2.010 173 H HIS 27 HN HIS 27 12.752 -11.348 3.960 174 HA HIS 27 HA HIS 27 14.236 -13.395 5.205 175 HB2 HIS 27 HB1 HIS 27 15.125 -11.737 3.541 176 HB3 HIS 27 HB2 HIS 27 15.095 -10.522 4.816 177 HD1 HIS 27 HD1 HIS 27 16.512 -14.055 4.547 178 HD2 HIS 27 HD2 HIS 27 17.562 -10.255 5.859 179 HE1 HIS 27 HE1 HIS 27 18.858 -14.272 5.427 180 H ARG 28 HN ARG 28 13.179 -10.210 6.364 181 HA ARG 28 HA ARG 28 14.398 -10.401 8.906 182 HB2 ARG 28 HB1 ARG 28 12.322 -8.671 7.659 183 HB3 ARG 28 HB2 ARG 28 12.416 -8.690 9.415 184 HG2 ARG 28 HG1 ARG 28 13.746 -6.884 8.690 185 HG3 ARG 28 HG2 ARG 28 14.864 -8.159 9.181 186 HD2 ARG 28 HD1 ARG 28 15.348 -8.731 6.941 187 HD3 ARG 28 HD2 ARG 28 13.983 -7.796 6.330 188 HE ARG 28 HE ARG 28 15.319 -5.948 6.328 189 HH11 ARG 28 HH11 ARG 28 16.719 -8.333 8.442 190 HH12 ARG 28 HH12 ARG 28 18.162 -7.419 8.732 191 HH21 ARG 28 HH21 ARG 28 17.214 -4.735 6.702 192 HH22 ARG 28 HH22 ARG 28 18.442 -5.372 7.742 193 H LEU 29 HN LEU 29 11.216 -11.315 7.694 194 HA LEU 29 HA LEU 29 10.062 -11.925 10.202 195 HB2 LEU 29 HB1 LEU 29 9.418 -12.980 7.453 196 HB3 LEU 29 HB2 LEU 29 8.412 -13.207 8.883 197 HG LEU 29 HG LEU 29 9.081 -10.431 8.026 198 HD11 LEU 29 HD11 LEU 29 6.622 -11.130 6.841 199 HD12 LEU 29 HD12 LEU 29 7.805 -12.329 6.319 200 HD13 LEU 29 HD13 LEU 29 8.109 -10.614 6.044 201 HD21 LEU 29 HD21 LEU 29 6.939 -11.839 9.549 202 HD22 LEU 29 HD22 LEU 29 6.571 -10.304 8.762 203 HD23 LEU 29 HD23 LEU 29 7.855 -10.392 9.968 204 H ALA 30 HN ALA 30 11.766 -13.898 7.804 205 HA ALA 30 HA ALA 30 11.415 -16.396 8.999 206 HB1 ALA 30 HB1 ALA 30 12.438 -15.754 6.707 207 HB2 ALA 30 HB2 ALA 30 13.961 -15.692 7.595 208 HB3 ALA 30 HB3 ALA 30 13.031 -17.189 7.543 209 H ASN 31 HN ASN 31 13.488 -13.749 9.851 210 HA ASN 31 HA ASN 31 15.174 -15.350 11.577 211 HB2 ASN 31 HB1 ASN 31 16.131 -13.428 10.387 212 HB3 ASN 31 HB2 ASN 31 15.012 -12.349 11.214 213 HD21 ASN 31 HD21 ASN 31 17.190 -14.987 12.172 214 HD22 ASN 31 HD22 ASN 31 17.960 -14.113 13.447 215 H GLY 32 HN GLY 32 12.324 -13.376 11.821 216 HA2 GLY 32 HA1 GLY 32 11.769 -14.329 14.453 217 HA3 GLY 32 HA2 GLY 32 12.294 -12.652 14.483 218 H GLY 33 HN GLY 33 9.821 -14.870 13.342 219 HA2 GLY 33 HA1 GLY 33 7.615 -13.410 13.840 220 HA3 GLY 33 HA2 GLY 33 8.163 -12.726 12.317 221 H ASN 34 HN ASN 34 7.226 -13.558 10.586 222 HA ASN 34 HA ASN 34 6.736 -16.426 10.438 223 HB2 ASN 34 HB1 ASN 34 4.569 -14.336 10.196 224 HB3 ASN 34 HB2 ASN 34 4.394 -15.975 9.575 225 HD21 ASN 34 HD21 ASN 34 4.635 -13.991 12.412 226 HD22 ASN 34 HD22 ASN 34 4.117 -15.190 13.543 227 H GLY 35 HN GLY 35 8.057 -16.770 8.731 228 HA2 GLY 35 HA1 GLY 35 7.381 -15.336 6.242 229 HA3 GLY 35 HA2 GLY 35 9.056 -15.584 6.713 230 H PHE 36 HN PHE 36 6.129 -17.615 6.516 231 HA PHE 36 HA PHE 36 5.732 -19.583 5.439 232 HB2 PHE 36 HB1 PHE 36 6.970 -18.330 3.551 233 HB3 PHE 36 HB2 PHE 36 8.358 -19.317 3.996 234 HD1 PHE 36 HD1 PHE 36 4.765 -19.622 3.072 235 HD2 PHE 36 HD2 PHE 36 8.639 -21.384 3.014 236 HE1 PHE 36 HE1 PHE 36 3.909 -21.450 1.665 237 HE2 PHE 36 HE2 PHE 36 7.790 -23.214 1.606 238 HZ PHE 36 HZ PHE 36 5.422 -23.249 0.929 239 H TRP 37 HN TRP 37 6.143 -20.405 7.639 240 HA TRP 37 HA TRP 37 8.261 -22.410 7.560 241 HB2 TRP 37 HB1 TRP 37 8.270 -20.079 9.305 242 HB3 TRP 37 HB2 TRP 37 8.319 -21.587 10.214 243 HD1 TRP 37 HD1 TRP 37 10.280 -19.797 7.396 244 HE1 TRP 37 HE1 TRP 37 12.732 -20.572 7.517 245 HE3 TRP 37 HE3 TRP 37 9.845 -23.286 11.107 246 HZ2 TRP 37 HZ2 TRP 37 14.276 -22.419 8.990 247 HZ3 TRP 37 HZ3 TRP 37 11.857 -24.514 11.813 248 HH2 TRP 37 HH2 TRP 37 14.026 -24.088 10.775
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