NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
618725 | 5go0 | 36012 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 1.808 0.000 0.855 2 HA MET 1 HA MET 1 1.972 0.967 -1.706 3 HB2 MET 1 2HB MET 1 3.826 0.240 -0.014 4 HB3 MET 1 3HB MET 1 3.756 -1.293 -0.873 5 HG2 MET 1 2HG MET 1 4.952 -0.497 -2.556 6 HG3 MET 1 3HG MET 1 3.912 0.916 -2.714 7 HE1 MET 1 1HE MET 1 7.729 0.412 -2.378 8 HE2 MET 1 2HE MET 1 7.879 0.442 -0.621 9 HE3 MET 1 3HE MET 1 6.860 -0.770 -1.400 10 H LEU 2 H LEU 2 2.192 -2.517 -0.960 11 HA LEU 2 HA LEU 2 1.081 -3.069 -3.623 12 HB2 LEU 2 2HB LEU 2 3.250 -4.047 -3.246 13 HB3 LEU 2 3HB LEU 2 2.694 -4.787 -1.746 14 HG LEU 2 HG LEU 2 1.222 -5.568 -4.181 15 HD11 LEU 2 1HD1 LEU 2 4.115 -5.720 -4.050 16 HD12 LEU 2 2HD1 LEU 2 3.023 -6.050 -5.395 17 HD13 LEU 2 3HD1 LEU 2 3.366 -7.309 -4.209 18 HD21 LEU 2 1HD2 LEU 2 0.541 -6.794 -2.382 19 HD22 LEU 2 2HD2 LEU 2 2.126 -6.753 -1.610 20 HD23 LEU 2 3HD2 LEU 2 1.836 -7.837 -2.971 21 H LEU 3 H LEU 3 -0.880 -3.936 -3.828 22 HA LEU 3 HA LEU 3 -2.053 -5.393 -1.575 23 HB2 LEU 3 2HB LEU 3 -3.982 -4.131 -1.466 24 HB3 LEU 3 3HB LEU 3 -2.732 -2.908 -1.687 25 HG LEU 3 HG LEU 3 -4.518 -3.970 -3.875 26 HD11 LEU 3 1HD1 LEU 3 -5.059 -2.092 -1.815 27 HD12 LEU 3 2HD1 LEU 3 -6.071 -2.552 -3.183 28 HD13 LEU 3 3HD1 LEU 3 -4.928 -1.219 -3.342 29 HD21 LEU 3 1HD2 LEU 3 -2.585 -3.231 -4.932 30 HD22 LEU 3 2HD2 LEU 3 -2.331 -1.925 -3.774 31 HD23 LEU 3 3HD2 LEU 3 -3.628 -1.810 -4.965 32 H LYS 4 H LYS 4 -3.633 -6.912 -2.143 33 HA LYS 4 HA LYS 4 -3.780 -7.495 -5.028 34 HB2 LYS 4 2HB LYS 4 -2.517 -9.190 -3.807 35 HB3 LYS 4 3HB LYS 4 -3.855 -9.407 -2.686 36 HG2 LYS 4 2HG LYS 4 -5.133 -10.549 -4.218 37 HG3 LYS 4 3HG LYS 4 -4.307 -9.831 -5.603 38 HD2 LYS 4 2HD LYS 4 -3.711 -12.183 -5.359 39 HD3 LYS 4 3HD LYS 4 -2.306 -11.149 -5.087 40 HE2 LYS 4 2HE LYS 4 -2.509 -13.013 -3.457 41 HE3 LYS 4 3HE LYS 4 -2.497 -11.416 -2.710 42 HZ1 LYS 4 1HZ LYS 4 -4.873 -11.518 -2.465 43 HZ2 LYS 4 2HZ LYS 4 -4.189 -12.897 -1.765 44 HZ3 LYS 4 3HZ LYS 4 -4.944 -13.001 -3.275 45 H VAL 5 H VAL 5 -5.710 -7.002 -5.824 46 HA VAL 5 HA VAL 5 -8.078 -7.299 -4.107 47 HB VAL 5 HB VAL 5 -9.229 -5.838 -5.740 48 HG11 VAL 5 1HG1 VAL 5 -7.662 -3.784 -5.263 49 HG12 VAL 5 2HG1 VAL 5 -8.513 -4.598 -3.948 50 HG13 VAL 5 3HG1 VAL 5 -6.810 -4.947 -4.248 51 HG21 VAL 5 1HG2 VAL 5 -8.374 -5.571 -7.772 52 HG22 VAL 5 2HG2 VAL 5 -7.050 -4.647 -7.064 53 HG23 VAL 5 3HG2 VAL 5 -6.886 -6.388 -7.292 54 H LYS 6 H LYS 6 -9.478 -8.878 -4.499 55 HA LYS 6 HA LYS 6 -9.491 -10.120 -7.171 56 HB2 LYS 6 2HB LYS 6 -10.125 -12.257 -5.901 57 HB3 LYS 6 3HB LYS 6 -8.445 -11.741 -5.836 58 HG2 LYS 6 2HG LYS 6 -8.550 -11.197 -3.625 59 HG3 LYS 6 3HG LYS 6 -10.272 -10.816 -3.686 60 HD2 LYS 6 2HD LYS 6 -9.882 -12.848 -2.400 61 HD3 LYS 6 3HD LYS 6 -10.788 -13.206 -3.871 62 HE2 LYS 6 2HE LYS 6 -9.193 -14.571 -4.618 63 HE3 LYS 6 3HE LYS 6 -7.932 -13.380 -4.305 64 HZ1 LYS 6 1HZ LYS 6 -8.461 -14.182 -1.832 65 HZ2 LYS 6 2HZ LYS 6 -7.289 -14.913 -2.808 66 HZ3 LYS 6 3HZ LYS 6 -8.825 -15.607 -2.668 67 H THR 7 H THR 7 -11.390 -9.948 -8.144 68 HA THR 7 HA THR 7 -13.744 -9.194 -6.625 69 HB THR 7 HB THR 7 -14.828 -8.853 -8.775 70 HG1 THR 7 HG1 THR 7 -13.263 -9.173 -10.658 71 HG21 THR 7 1HG2 THR 7 -12.376 -7.565 -7.975 72 HG22 THR 7 2HG2 THR 7 -13.824 -6.863 -8.697 73 HG23 THR 7 3HG2 THR 7 -12.555 -7.522 -9.729 74 H VAL 8 H VAL 8 -15.873 -10.241 -7.365 75 HA VAL 8 HA VAL 8 -15.776 -12.995 -6.677 76 HB VAL 8 HB VAL 8 -17.690 -11.492 -6.143 77 HG11 VAL 8 1HG1 VAL 8 -17.684 -10.437 -8.451 78 HG12 VAL 8 2HG1 VAL 8 -18.551 -11.874 -8.998 79 HG13 VAL 8 3HG1 VAL 8 -19.262 -10.828 -7.768 80 HG21 VAL 8 1HG2 VAL 8 -19.179 -13.221 -6.093 81 HG22 VAL 8 2HG2 VAL 8 -18.852 -13.699 -7.759 82 HG23 VAL 8 3HG2 VAL 8 -17.712 -14.120 -6.481 83 H SER 9 H SER 9 -15.254 -11.410 -9.585 84 HA SER 9 HA SER 9 -16.313 -13.504 -11.289 85 HB2 SER 9 2HB SER 9 -15.383 -10.774 -11.641 86 HB3 SER 9 3HB SER 9 -14.692 -11.854 -12.851 87 HG SER 9 HG SER 9 -16.551 -11.659 -13.800 88 H ASN 10 H ASN 10 -13.910 -13.657 -9.293 89 HA ASN 10 HA ASN 10 -12.037 -14.940 -9.134 90 HB2 ASN 10 2HB ASN 10 -13.552 -16.190 -11.099 91 HB3 ASN 10 3HB ASN 10 -11.969 -16.001 -11.848 92 HD21 ASN 10 1HD2 ASN 10 -13.825 -17.634 -9.479 93 HD22 ASN 10 2HD2 ASN 10 -12.587 -18.704 -8.924 94 H LYS 11 H LYS 11 -11.991 -12.213 -10.176 95 HA LYS 11 HA LYS 11 -9.602 -12.317 -11.891 96 HB2 LYS 11 2HB LYS 11 -11.608 -10.107 -11.421 97 HB3 LYS 11 3HB LYS 11 -10.122 -9.897 -12.338 98 HG2 LYS 11 2HG LYS 11 -10.862 -11.573 -13.944 99 HG3 LYS 11 3HG LYS 11 -12.346 -11.812 -13.017 100 HD2 LYS 11 2HD LYS 11 -13.249 -9.824 -13.691 101 HD3 LYS 11 3HD LYS 11 -11.675 -9.048 -13.879 102 HE2 LYS 11 2HE LYS 11 -11.849 -9.387 -16.068 103 HE3 LYS 11 3HE LYS 11 -11.713 -11.117 -15.756 104 HZ1 LYS 11 1HZ LYS 11 -13.737 -11.278 -16.622 105 HZ2 LYS 11 2HZ LYS 11 -13.980 -9.605 -16.603 106 HZ3 LYS 11 3HZ LYS 11 -14.329 -10.525 -15.227 107 H VAL 12 H VAL 12 -7.862 -12.384 -10.592 108 HA VAL 12 HA VAL 12 -7.753 -10.549 -8.296 109 HB VAL 12 HB VAL 12 -5.896 -12.860 -8.857 110 HG11 VAL 12 1HG1 VAL 12 -6.320 -10.998 -6.551 111 HG12 VAL 12 2HG1 VAL 12 -5.633 -12.604 -6.299 112 HG13 VAL 12 3HG1 VAL 12 -4.818 -11.451 -7.357 113 HG21 VAL 12 1HG2 VAL 12 -7.689 -14.144 -8.427 114 HG22 VAL 12 2HG2 VAL 12 -7.412 -13.666 -6.752 115 HG23 VAL 12 3HG2 VAL 12 -8.605 -12.809 -7.727 116 H ILE 13 H ILE 13 -6.471 -8.826 -8.370 117 HA ILE 13 HA ILE 13 -4.279 -8.786 -10.338 118 HB ILE 13 HB ILE 13 -6.105 -6.484 -9.637 119 HG12 ILE 13 2HG1 ILE 13 -7.173 -8.070 -11.143 120 HG13 ILE 13 3HG1 ILE 13 -6.746 -6.609 -12.027 121 HG21 ILE 13 1HG2 ILE 13 -4.592 -5.780 -11.841 122 HG22 ILE 13 2HG2 ILE 13 -4.372 -5.200 -10.191 123 HG23 ILE 13 3HG2 ILE 13 -3.438 -6.578 -10.773 124 HD11 ILE 13 1HD1 ILE 13 -6.003 -9.315 -12.540 125 HD12 ILE 13 2HD1 ILE 13 -5.710 -7.872 -13.512 126 HD13 ILE 13 3HD1 ILE 13 -4.556 -8.346 -12.266 127 H GLN 14 H GLN 14 -2.394 -8.660 -9.330 128 HA GLN 14 HA GLN 14 -2.261 -7.301 -6.727 129 HB2 GLN 14 2HB GLN 14 -1.545 -9.591 -6.592 130 HB3 GLN 14 3HB GLN 14 -0.481 -9.394 -7.978 131 HG2 GLN 14 2HG GLN 14 0.233 -7.471 -6.008 132 HG3 GLN 14 3HG GLN 14 0.115 -9.054 -5.241 133 HE21 GLN 14 1HE2 GLN 14 1.103 -8.153 -8.515 134 HE22 GLN 14 2HE2 GLN 14 2.688 -8.831 -8.413 135 H ILE 15 H ILE 15 -1.502 -5.301 -6.782 136 HA ILE 15 HA ILE 15 0.600 -4.648 -8.744 137 HB ILE 15 HB ILE 15 -0.247 -2.292 -8.639 138 HG12 ILE 15 2HG1 ILE 15 -2.620 -3.600 -7.290 139 HG13 ILE 15 3HG1 ILE 15 -1.486 -2.497 -6.518 140 HG21 ILE 15 1HG2 ILE 15 -2.449 -4.057 -9.622 141 HG22 ILE 15 2HG2 ILE 15 -1.756 -2.614 -10.360 142 HG23 ILE 15 3HG2 ILE 15 -0.854 -4.129 -10.369 143 HD11 ILE 15 1HD1 ILE 15 -2.204 -0.858 -8.389 144 HD12 ILE 15 2HD1 ILE 15 -3.599 -1.926 -8.540 145 HD13 ILE 15 3HD1 ILE 15 -3.264 -1.125 -7.005 146 H THR 16 H THR 16 2.200 -3.136 -8.091 147 HA THR 16 HA THR 16 2.480 -2.899 -5.165 148 HB THR 16 HB THR 16 4.161 -4.416 -5.984 149 HG1 THR 16 HG1 THR 16 4.916 -2.969 -4.417 150 HG21 THR 16 1HG2 THR 16 5.901 -3.142 -7.606 151 HG22 THR 16 2HG2 THR 16 4.385 -2.424 -8.152 152 HG23 THR 16 3HG2 THR 16 4.597 -4.174 -8.192 153 H SER 17 H SER 17 1.114 -0.895 -6.007 154 HA SER 17 HA SER 17 2.761 1.377 -5.636 155 HB2 SER 17 2HB SER 17 3.414 1.204 -7.911 156 HB3 SER 17 3HB SER 17 1.773 0.822 -8.433 157 HG SER 17 HG SER 17 2.852 3.295 -7.625 158 H LEU 18 H LEU 18 1.156 1.559 -3.988 159 HA LEU 18 HA LEU 18 -1.504 2.381 -4.933 160 HB2 LEU 18 2HB LEU 18 -0.640 0.737 -2.790 161 HB3 LEU 18 3HB LEU 18 -1.385 2.175 -2.095 162 HG LEU 18 HG LEU 18 -2.667 0.215 -3.995 163 HD11 LEU 18 1HD1 LEU 18 -4.251 0.150 -1.913 164 HD12 LEU 18 2HD1 LEU 18 -2.811 0.704 -1.060 165 HD13 LEU 18 3HD1 LEU 18 -2.777 -0.818 -1.951 166 HD21 LEU 18 1HD2 LEU 18 -3.687 2.171 -4.632 167 HD22 LEU 18 2HD2 LEU 18 -3.487 2.920 -3.047 168 HD23 LEU 18 3HD2 LEU 18 -4.719 1.680 -3.288 169 H THR 19 H THR 19 -2.484 4.263 -4.054 170 HA THR 19 HA THR 19 -0.614 6.415 -3.639 171 HB THR 19 HB THR 19 -3.480 6.981 -3.237 172 HG1 THR 19 HG1 THR 19 -3.856 6.725 -5.540 173 HG21 THR 19 1HG2 THR 19 -2.254 8.338 -5.436 174 HG22 THR 19 2HG2 THR 19 -1.138 8.325 -4.070 175 HG23 THR 19 3HG2 THR 19 -2.761 8.988 -3.878 176 H ASP 20 H ASP 20 -1.443 8.133 -1.923 177 HA ASP 20 HA ASP 20 -1.868 6.710 0.622 178 HB2 ASP 20 2HB ASP 20 -0.482 8.837 1.473 179 HB3 ASP 20 3HB ASP 20 0.297 7.336 0.981 180 H ASP 21 H ASP 21 -3.170 8.828 -1.508 181 HA ASP 21 HA ASP 21 -4.322 10.634 0.471 182 HB2 ASP 21 2HB ASP 21 -4.725 10.547 -2.526 183 HB3 ASP 21 3HB ASP 21 -5.268 11.824 -1.441 184 H ASN 22 H ASN 22 -5.406 8.271 -1.953 185 HA ASN 22 HA ASN 22 -7.945 8.057 -0.470 186 HB2 ASN 22 2HB ASN 22 -7.373 8.223 -3.374 187 HB3 ASN 22 3HB ASN 22 -8.613 7.069 -2.892 188 HD21 ASN 22 1HD2 ASN 22 -10.105 8.082 -1.108 189 HD22 ASN 22 2HD2 ASN 22 -10.743 9.634 -1.521 190 H THR 23 H THR 23 -5.710 6.256 -2.575 191 HA THR 23 HA THR 23 -5.043 4.079 -2.581 192 HB THR 23 HB THR 23 -6.068 4.135 0.263 193 HG1 THR 23 HG1 THR 23 -4.288 5.518 -0.133 194 HG21 THR 23 1HG2 THR 23 -5.199 1.931 -1.365 195 HG22 THR 23 2HG2 THR 23 -5.772 1.927 0.303 196 HG23 THR 23 3HG2 THR 23 -4.063 2.191 -0.042 197 H ILE 24 H ILE 24 -7.696 3.498 -0.333 198 HA ILE 24 HA ILE 24 -8.750 1.354 -1.799 199 HB ILE 24 HB ILE 24 -10.124 3.073 0.270 200 HG12 ILE 24 2HG1 ILE 24 -9.557 0.727 1.499 201 HG13 ILE 24 3HG1 ILE 24 -8.192 0.834 0.393 202 HG21 ILE 24 1HG2 ILE 24 -11.624 1.144 0.567 203 HG22 ILE 24 2HG2 ILE 24 -11.748 1.850 -1.044 204 HG23 ILE 24 3HG2 ILE 24 -10.850 0.351 -0.805 205 HD11 ILE 24 1HD1 ILE 24 -8.641 3.348 1.721 206 HD12 ILE 24 2HD1 ILE 24 -8.438 2.035 2.882 207 HD13 ILE 24 3HD1 ILE 24 -7.195 2.340 1.669 208 H ALA 25 H ALA 25 -10.171 4.596 -1.326 209 HA ALA 25 HA ALA 25 -12.275 4.347 -3.113 210 HB1 ALA 25 1HB ALA 25 -11.404 6.306 -1.458 211 HB2 ALA 25 2HB ALA 25 -11.035 7.008 -3.033 212 HB3 ALA 25 3HB ALA 25 -12.683 6.509 -2.656 213 H GLU 26 H GLU 26 -8.922 5.272 -3.706 214 HA GLU 26 HA GLU 26 -9.294 6.023 -6.419 215 HB2 GLU 26 2HB GLU 26 -7.298 6.435 -4.725 216 HB3 GLU 26 3HB GLU 26 -6.672 4.968 -5.463 217 HG2 GLU 26 2HG GLU 26 -5.715 6.551 -6.793 218 HG3 GLU 26 3HG GLU 26 -7.194 6.224 -7.695 219 H LEU 27 H LEU 27 -8.410 3.007 -4.818 220 HA LEU 27 HA LEU 27 -7.770 1.562 -7.164 221 HB2 LEU 27 2HB LEU 27 -7.946 1.066 -4.357 222 HB3 LEU 27 3HB LEU 27 -8.792 -0.217 -5.220 223 HG LEU 27 HG LEU 27 -6.394 -0.695 -4.681 224 HD11 LEU 27 1HD1 LEU 27 -6.102 -0.935 -7.467 225 HD12 LEU 27 2HD1 LEU 27 -7.825 -1.081 -7.127 226 HD13 LEU 27 3HD1 LEU 27 -6.675 -2.152 -6.326 227 HD21 LEU 27 1HD2 LEU 27 -5.734 1.731 -5.242 228 HD22 LEU 27 2HD2 LEU 27 -5.699 1.177 -6.916 229 HD23 LEU 27 3HD2 LEU 27 -4.642 0.430 -5.717 230 H LYS 28 H LYS 28 -10.730 1.681 -5.192 231 HA LYS 28 HA LYS 28 -12.235 -0.048 -6.843 232 HB2 LYS 28 2HB LYS 28 -14.185 0.794 -5.622 233 HB3 LYS 28 3HB LYS 28 -12.862 0.421 -4.525 234 HG2 LYS 28 2HG LYS 28 -12.280 2.857 -4.545 235 HG3 LYS 28 3HG LYS 28 -13.776 3.136 -5.440 236 HD2 LYS 28 2HD LYS 28 -13.550 1.883 -2.703 237 HD3 LYS 28 3HD LYS 28 -14.094 3.526 -3.050 238 HE2 LYS 28 2HE LYS 28 -15.695 1.963 -4.664 239 HE3 LYS 28 3HE LYS 28 -15.542 1.004 -3.193 240 HZ1 LYS 28 1HZ LYS 28 -16.477 3.816 -3.373 241 HZ2 LYS 28 2HZ LYS 28 -16.239 2.973 -1.926 242 HZ3 LYS 28 3HZ LYS 28 -17.425 2.461 -3.018 243 H GLY 29 H GLY 29 -11.881 3.472 -6.754 244 HA2 GLY 29 2HA GLY 29 -13.858 4.025 -8.713 245 HA3 GLY 29 3HA GLY 29 -12.567 5.109 -8.215 246 H LYS 30 H LYS 30 -10.436 3.262 -8.916 247 HA LYS 30 HA LYS 30 -10.188 3.972 -11.678 248 HB2 LYS 30 2HB LYS 30 -8.467 2.632 -9.645 249 HB3 LYS 30 3HB LYS 30 -8.075 2.393 -11.343 250 HG2 LYS 30 2HG LYS 30 -8.544 5.171 -10.426 251 HG3 LYS 30 3HG LYS 30 -7.053 4.376 -9.916 252 HD2 LYS 30 2HD LYS 30 -6.615 3.826 -12.311 253 HD3 LYS 30 3HD LYS 30 -8.019 4.806 -12.742 254 HE2 LYS 30 2HE LYS 30 -6.797 6.657 -12.647 255 HE3 LYS 30 3HE LYS 30 -6.330 6.300 -10.985 256 HZ1 LYS 30 1HZ LYS 30 -4.653 4.715 -12.081 257 HZ2 LYS 30 2HZ LYS 30 -4.323 6.374 -12.097 258 HZ3 LYS 30 3HZ LYS 30 -4.925 5.619 -13.485 259 H LEU 31 H LEU 31 -10.976 1.063 -9.899 260 HA LEU 31 HA LEU 31 -10.669 -0.756 -12.057 261 HB2 LEU 31 2HB LEU 31 -10.894 -1.153 -9.483 262 HB3 LEU 31 3HB LEU 31 -12.619 -1.211 -9.841 263 HG LEU 31 HG LEU 31 -11.632 -3.446 -9.719 264 HD11 LEU 31 1HD1 LEU 31 -12.268 -2.981 -12.602 265 HD12 LEU 31 2HD1 LEU 31 -13.499 -2.728 -11.365 266 HD13 LEU 31 3HD1 LEU 31 -12.746 -4.312 -11.549 267 HD21 LEU 31 1HD2 LEU 31 -10.022 -2.672 -12.145 268 HD22 LEU 31 2HD2 LEU 31 -9.990 -4.208 -11.278 269 HD23 LEU 31 3HD2 LEU 31 -9.367 -2.747 -10.510 270 H GLU 32 H GLU 32 -13.439 1.029 -10.756 271 HA GLU 32 HA GLU 32 -15.360 -0.108 -12.503 272 HB2 GLU 32 2HB GLU 32 -16.777 1.817 -11.823 273 HB3 GLU 32 3HB GLU 32 -16.078 0.953 -10.461 274 HG2 GLU 32 2HG GLU 32 -14.337 2.682 -10.288 275 HG3 GLU 32 3HG GLU 32 -15.109 3.562 -11.605 276 H GLU 33 H GLU 33 -13.380 2.818 -12.654 277 HA GLU 33 HA GLU 33 -14.545 3.843 -15.026 278 HB2 GLU 33 2HB GLU 33 -12.897 4.895 -13.195 279 HB3 GLU 33 3HB GLU 33 -11.705 4.458 -14.410 280 HG2 GLU 33 2HG GLU 33 -12.271 6.160 -15.717 281 HG3 GLU 33 3HG GLU 33 -13.991 5.805 -15.569 282 H SER 34 H SER 34 -11.900 1.631 -14.382 283 HA SER 34 HA SER 34 -10.761 1.610 -16.957 284 HB2 SER 34 2HB SER 34 -9.569 -0.324 -16.262 285 HB3 SER 34 3HB SER 34 -9.778 0.650 -14.807 286 HG SER 34 HG SER 34 -10.357 -1.793 -14.930 287 H GLU 35 H GLU 35 -13.296 -0.377 -15.481 288 HA GLU 35 HA GLU 35 -13.670 -1.950 -17.862 289 HB2 GLU 35 2HB GLU 35 -15.043 -1.783 -15.200 290 HB3 GLU 35 3HB GLU 35 -15.788 -2.667 -16.524 291 HG2 GLU 35 2HG GLU 35 -12.967 -3.226 -15.707 292 HG3 GLU 35 3HG GLU 35 -14.324 -3.942 -14.839 293 H GLY 36 H GLY 36 -14.517 1.145 -17.023 294 HA2 GLY 36 2HA GLY 36 -15.709 2.608 -18.434 295 HA3 GLY 36 3HA GLY 36 -16.531 1.224 -19.138 296 H ILE 37 H ILE 37 -17.526 -0.027 -16.892 297 HA ILE 37 HA ILE 37 -19.143 1.997 -15.521 298 HB ILE 37 HB ILE 37 -21.155 0.473 -15.843 299 HG12 ILE 37 2HG1 ILE 37 -19.686 -0.491 -18.285 300 HG13 ILE 37 3HG1 ILE 37 -19.620 -1.388 -16.772 301 HG21 ILE 37 1HG2 ILE 37 -21.433 1.343 -18.291 302 HG22 ILE 37 2HG2 ILE 37 -21.339 2.482 -16.948 303 HG23 ILE 37 3HG2 ILE 37 -19.920 2.183 -17.952 304 HD11 ILE 37 1HD1 ILE 37 -21.333 -2.417 -17.926 305 HD12 ILE 37 2HD1 ILE 37 -22.193 -1.292 -16.875 306 HD13 ILE 37 3HD1 ILE 37 -21.947 -0.897 -18.576 307 HA PRO 38 HA PRO 38 -18.549 -0.482 -11.947 308 HB2 PRO 38 2HB PRO 38 -20.849 -0.007 -10.585 309 HB3 PRO 38 3HB PRO 38 -19.568 1.199 -10.757 310 HG2 PRO 38 2HG PRO 38 -22.122 0.915 -12.293 311 HG3 PRO 38 3HG PRO 38 -21.361 2.381 -11.648 312 HD2 PRO 38 2HD PRO 38 -21.170 1.666 -14.252 313 HD3 PRO 38 3HD PRO 38 -19.875 2.534 -13.403 314 H GLY 39 H GLY 39 -18.854 -2.553 -11.308 315 HA2 GLY 39 2HA GLY 39 -20.329 -4.346 -12.858 316 HA3 GLY 39 3HA GLY 39 -19.680 -4.693 -11.262 317 H ASN 40 H ASN 40 -21.114 -2.959 -9.681 318 HA ASN 40 HA ASN 40 -23.841 -2.763 -10.078 319 HB2 ASN 40 2HB ASN 40 -23.027 -5.478 -9.653 320 HB3 ASN 40 3HB ASN 40 -23.984 -4.947 -8.273 321 HD21 ASN 40 1HD2 ASN 40 -26.078 -3.964 -8.750 322 HD22 ASN 40 2HD2 ASN 40 -26.973 -4.542 -10.110 323 H MET 41 H MET 41 -22.158 -4.300 -7.342 324 HA MET 41 HA MET 41 -23.006 -2.049 -5.661 325 HB2 MET 41 2HB MET 41 -22.463 -4.929 -5.169 326 HB3 MET 41 3HB MET 41 -22.087 -3.809 -3.866 327 HG2 MET 41 2HG MET 41 -24.471 -2.920 -4.230 328 HG3 MET 41 3HG MET 41 -24.733 -4.421 -5.115 329 HE1 MET 41 1HE MET 41 -23.604 -2.688 -2.106 330 HE2 MET 41 2HE MET 41 -24.475 -3.493 -0.802 331 HE3 MET 41 3HE MET 41 -22.840 -4.007 -1.219 332 H ILE 42 H ILE 42 -20.183 -3.891 -6.666 333 HA ILE 42 HA ILE 42 -17.944 -3.554 -6.397 334 HB ILE 42 HB ILE 42 -18.577 -0.619 -6.199 335 HG12 ILE 42 2HG1 ILE 42 -18.210 -1.044 -8.866 336 HG13 ILE 42 3HG1 ILE 42 -19.089 -2.501 -8.414 337 HG21 ILE 42 1HG2 ILE 42 -16.420 -1.433 -7.945 338 HG22 ILE 42 2HG2 ILE 42 -16.407 -0.315 -6.582 339 HG23 ILE 42 3HG2 ILE 42 -16.198 -2.044 -6.305 340 HD11 ILE 42 1HD1 ILE 42 -20.500 -0.483 -7.177 341 HD12 ILE 42 2HD1 ILE 42 -20.032 0.214 -8.729 342 HD13 ILE 42 3HD1 ILE 42 -20.932 -1.301 -8.678 343 H ARG 43 H ARG 43 -18.899 -4.358 -4.068 344 HA ARG 43 HA ARG 43 -17.728 -2.533 -2.072 345 HB2 ARG 43 2HB ARG 43 -20.241 -3.149 -1.955 346 HB3 ARG 43 3HB ARG 43 -19.676 -4.717 -1.395 347 HG2 ARG 43 2HG ARG 43 -18.354 -3.380 0.358 348 HG3 ARG 43 3HG ARG 43 -19.427 -2.047 -0.071 349 HD2 ARG 43 2HD ARG 43 -20.650 -4.689 0.517 350 HD3 ARG 43 3HD ARG 43 -20.009 -3.757 1.870 351 HE ARG 43 HE ARG 43 -21.613 -2.075 0.310 352 HH11 ARG 43 1HH1 ARG 43 -21.907 -4.843 2.401 353 HH12 ARG 43 2HH1 ARG 43 -23.518 -4.454 2.906 354 HH21 ARG 43 1HH2 ARG 43 -23.734 -1.552 0.967 355 HH22 ARG 43 2HH2 ARG 43 -24.557 -2.582 2.089 356 H LEU 44 H LEU 44 -15.840 -3.189 -1.306 357 HA LEU 44 HA LEU 44 -15.192 -6.054 -1.388 358 HB2 LEU 44 2HB LEU 44 -12.841 -5.320 -1.204 359 HB3 LEU 44 3HB LEU 44 -13.655 -4.720 -2.648 360 HG LEU 44 HG LEU 44 -13.555 -2.944 -0.265 361 HD11 LEU 44 1HD1 LEU 44 -11.198 -3.923 -1.742 362 HD12 LEU 44 2HD1 LEU 44 -11.327 -3.260 -0.113 363 HD13 LEU 44 3HD1 LEU 44 -11.302 -2.179 -1.506 364 HD21 LEU 44 1HD2 LEU 44 -13.877 -2.752 -3.186 365 HD22 LEU 44 2HD2 LEU 44 -12.941 -1.461 -2.432 366 HD23 LEU 44 3HD2 LEU 44 -14.591 -1.784 -1.896 367 H VAL 45 H VAL 45 -14.020 -6.984 0.398 368 HA VAL 45 HA VAL 45 -14.607 -5.645 2.958 369 HB VAL 45 HB VAL 45 -14.509 -8.610 2.387 370 HG11 VAL 45 1HG1 VAL 45 -14.245 -7.119 4.836 371 HG12 VAL 45 2HG1 VAL 45 -15.688 -8.135 4.874 372 HG13 VAL 45 3HG1 VAL 45 -14.109 -8.856 4.560 373 HG21 VAL 45 1HG2 VAL 45 -16.932 -8.483 3.027 374 HG22 VAL 45 2HG2 VAL 45 -16.796 -6.727 2.937 375 HG23 VAL 45 3HG2 VAL 45 -16.526 -7.708 1.496 376 H TYR 46 H TYR 46 -12.858 -4.996 4.008 377 HA TYR 46 HA TYR 46 -10.286 -6.275 3.434 378 HB2 TYR 46 2HB TYR 46 -10.970 -3.623 3.595 379 HB3 TYR 46 3HB TYR 46 -10.284 -3.919 5.189 380 HD1 TYR 46 HD1 TYR 46 -8.163 -5.861 4.594 381 HD2 TYR 46 HD2 TYR 46 -9.364 -2.386 2.454 382 HE1 TYR 46 HE1 TYR 46 -5.897 -5.661 3.660 383 HE2 TYR 46 HE2 TYR 46 -7.101 -2.176 1.513 384 HH TYR 46 HH TYR 46 -4.709 -2.957 2.283 385 H GLN 47 H GLN 47 -9.636 -7.813 4.772 386 HA GLN 47 HA GLN 47 -9.324 -9.075 6.639 387 HB2 GLN 47 2HB GLN 47 -8.517 -6.522 7.241 388 HB3 GLN 47 3HB GLN 47 -9.637 -6.872 8.550 389 HG2 GLN 47 2HG GLN 47 -8.108 -8.085 9.579 390 HG3 GLN 47 3HG GLN 47 -7.942 -9.127 8.166 391 HE21 GLN 47 1HE2 GLN 47 -6.622 -8.074 6.358 392 HE22 GLN 47 2HE2 GLN 47 -5.157 -7.302 6.850 393 H GLY 48 H GLY 48 -12.021 -8.771 5.706 394 HA2 GLY 48 2HA GLY 48 -14.060 -9.602 6.412 395 HA3 GLY 48 3HA GLY 48 -13.388 -9.774 8.026 396 H LYS 49 H LYS 49 -12.874 -6.674 6.853 397 HA LYS 49 HA LYS 49 -15.261 -5.684 8.271 398 HB2 LYS 49 2HB LYS 49 -12.495 -5.152 8.719 399 HB3 LYS 49 3HB LYS 49 -13.251 -3.670 8.148 400 HG2 LYS 49 2HG LYS 49 -14.138 -3.313 10.141 401 HG3 LYS 49 3HG LYS 49 -14.941 -4.885 10.101 402 HD2 LYS 49 2HD LYS 49 -12.066 -4.473 10.914 403 HD3 LYS 49 3HD LYS 49 -13.414 -4.553 12.051 404 HE2 LYS 49 2HE LYS 49 -12.634 -6.724 10.107 405 HE3 LYS 49 3HE LYS 49 -12.241 -6.707 11.825 406 HZ1 LYS 49 1HZ LYS 49 -14.761 -7.291 10.507 407 HZ2 LYS 49 2HZ LYS 49 -14.875 -6.371 11.921 408 HZ3 LYS 49 3HZ LYS 49 -14.133 -7.891 11.959 409 H GLN 50 H GLN 50 -15.992 -3.510 7.572 410 HA GLN 50 HA GLN 50 -15.597 -3.160 4.673 411 HB2 GLN 50 2HB GLN 50 -18.064 -2.713 6.356 412 HB3 GLN 50 3HB GLN 50 -17.914 -2.175 4.689 413 HG2 GLN 50 2HG GLN 50 -18.301 -4.212 3.873 414 HG3 GLN 50 3HG GLN 50 -17.256 -4.989 5.062 415 HE21 GLN 50 1HE2 GLN 50 -18.139 -5.390 7.179 416 HE22 GLN 50 2HE2 GLN 50 -19.835 -5.663 7.361 417 H LEU 51 H LEU 51 -16.368 -0.841 4.012 418 HA LEU 51 HA LEU 51 -15.842 1.372 3.983 419 HB2 LEU 51 2HB LEU 51 -15.946 1.398 6.970 420 HB3 LEU 51 3HB LEU 51 -16.472 2.631 5.826 421 HG LEU 51 HG LEU 51 -18.140 0.485 5.296 422 HD11 LEU 51 1HD1 LEU 51 -17.866 -0.834 7.121 423 HD12 LEU 51 2HD1 LEU 51 -19.031 0.305 7.795 424 HD13 LEU 51 3HD1 LEU 51 -17.312 0.495 8.140 425 HD21 LEU 51 1HD2 LEU 51 -18.452 3.005 6.899 426 HD22 LEU 51 2HD2 LEU 51 -19.806 1.917 6.592 427 HD23 LEU 51 3HD2 LEU 51 -18.963 2.680 5.243 428 H GLU 52 H GLU 52 -13.735 1.274 3.264 429 HA GLU 52 HA GLU 52 -11.671 1.499 5.356 430 HB2 GLU 52 2HB GLU 52 -11.196 0.413 2.582 431 HB3 GLU 52 3HB GLU 52 -10.104 0.365 3.959 432 HG2 GLU 52 2HG GLU 52 -10.851 -1.689 4.320 433 HG3 GLU 52 3HG GLU 52 -12.348 -0.944 4.877 434 H ASP 53 H ASP 53 -13.331 3.135 3.038 435 HA ASP 53 HA ASP 53 -11.449 4.586 1.602 436 HB2 ASP 53 2HB ASP 53 -14.062 4.581 1.499 437 HB3 ASP 53 3HB ASP 53 -13.929 5.917 2.640 438 H GLU 54 H GLU 54 -12.637 5.053 4.883 439 HA GLU 54 HA GLU 54 -11.434 7.581 5.314 440 HB2 GLU 54 2HB GLU 54 -13.110 5.867 6.749 441 HB3 GLU 54 3HB GLU 54 -11.653 5.988 7.725 442 HG2 GLU 54 2HG GLU 54 -12.985 7.705 8.520 443 HG3 GLU 54 3HG GLU 54 -11.886 8.519 7.408 444 H LYS 55 H LYS 55 -10.182 4.399 5.196 445 HA LYS 55 HA LYS 55 -7.741 5.178 6.624 446 HB2 LYS 55 2HB LYS 55 -8.901 2.526 5.811 447 HB3 LYS 55 3HB LYS 55 -7.208 2.674 6.262 448 HG2 LYS 55 2HG LYS 55 -8.245 2.023 8.230 449 HG3 LYS 55 3HG LYS 55 -8.082 3.771 8.411 450 HD2 LYS 55 2HD LYS 55 -10.336 4.143 8.146 451 HD3 LYS 55 3HD LYS 55 -10.576 2.673 7.199 452 HE2 LYS 55 2HE LYS 55 -9.705 2.325 10.005 453 HE3 LYS 55 3HE LYS 55 -11.346 2.919 9.755 454 HZ1 LYS 55 1HZ LYS 55 -11.591 0.632 9.779 455 HZ2 LYS 55 2HZ LYS 55 -10.166 0.351 8.913 456 HZ3 LYS 55 3HZ LYS 55 -11.527 0.969 8.122 457 H ARG 56 H ARG 56 -8.275 6.315 4.070 458 HA ARG 56 HA ARG 56 -7.162 5.092 1.874 459 HB2 ARG 56 2HB ARG 56 -6.382 7.538 1.319 460 HB3 ARG 56 3HB ARG 56 -8.094 7.139 1.374 461 HG2 ARG 56 2HG ARG 56 -7.188 7.917 3.981 462 HG3 ARG 56 3HG ARG 56 -6.754 9.145 2.790 463 HD2 ARG 56 2HD ARG 56 -9.331 8.469 2.092 464 HD3 ARG 56 3HD ARG 56 -9.363 8.405 3.853 465 HE ARG 56 HE ARG 56 -9.227 10.739 2.240 466 HH11 ARG 56 1HH1 ARG 56 -8.128 9.384 5.253 467 HH12 ARG 56 2HH1 ARG 56 -7.964 10.921 6.035 468 HH21 ARG 56 1HH2 ARG 56 -9.014 12.769 3.258 469 HH22 ARG 56 2HH2 ARG 56 -8.469 12.846 4.899 470 H LEU 57 H LEU 57 -5.360 7.444 3.861 471 HA LEU 57 HA LEU 57 -2.839 6.576 2.877 472 HB2 LEU 57 2HB LEU 57 -3.581 8.844 3.939 473 HB3 LEU 57 3HB LEU 57 -3.143 8.057 5.454 474 HG LEU 57 HG LEU 57 -1.177 8.162 3.201 475 HD11 LEU 57 1HD1 LEU 57 -0.346 10.283 3.964 476 HD12 LEU 57 2HD1 LEU 57 -1.578 10.359 5.223 477 HD13 LEU 57 3HD1 LEU 57 -2.045 10.458 3.526 478 HD21 LEU 57 1HD2 LEU 57 0.018 7.097 4.743 479 HD22 LEU 57 2HD2 LEU 57 -1.218 7.365 5.972 480 HD23 LEU 57 3HD2 LEU 57 0.018 8.590 5.682 481 H LYS 58 H LYS 58 -4.739 5.839 5.737 482 HA LYS 58 HA LYS 58 -2.788 4.541 7.260 483 HB2 LYS 58 2HB LYS 58 -5.617 4.895 7.344 484 HB3 LYS 58 3HB LYS 58 -5.273 3.191 7.606 485 HG2 LYS 58 2HG LYS 58 -3.468 4.785 9.153 486 HG3 LYS 58 3HG LYS 58 -5.132 5.286 9.464 487 HD2 LYS 58 2HD LYS 58 -4.485 2.375 9.413 488 HD3 LYS 58 3HD LYS 58 -4.028 3.326 10.828 489 HE2 LYS 58 2HE LYS 58 -6.646 4.094 10.255 490 HE3 LYS 58 3HE LYS 58 -6.625 2.347 10.021 491 HZ1 LYS 58 1HZ LYS 58 -6.083 3.894 12.464 492 HZ2 LYS 58 2HZ LYS 58 -5.399 2.359 12.279 493 HZ3 LYS 58 3HZ LYS 58 -7.080 2.544 12.252 494 H ASP 59 H ASP 59 -4.531 3.515 4.442 495 HA ASP 59 HA ASP 59 -3.873 0.720 4.773 496 HB2 ASP 59 2HB ASP 59 -5.419 2.346 2.834 497 HB3 ASP 59 3HB ASP 59 -4.688 0.871 2.208 498 H TYR 60 H TYR 60 -2.397 3.506 3.447 499 HA TYR 60 HA TYR 60 -0.759 2.175 1.513 500 HB2 TYR 60 2HB TYR 60 -1.284 4.539 1.256 501 HB3 TYR 60 3HB TYR 60 -0.500 4.906 2.788 502 HD1 TYR 60 HD1 TYR 60 0.255 3.352 -0.524 503 HD2 TYR 60 HD2 TYR 60 1.694 5.638 2.763 504 HE1 TYR 60 HE1 TYR 60 2.385 3.697 -1.705 505 HE2 TYR 60 HE2 TYR 60 3.828 5.991 1.591 506 HH TYR 60 HH TYR 60 5.155 4.948 -0.168 507 H GLN 61 H GLN 61 -0.611 2.675 4.909 508 HA GLN 61 HA GLN 61 2.245 2.291 5.111 509 HB2 GLN 61 2HB GLN 61 0.090 2.378 7.228 510 HB3 GLN 61 3HB GLN 61 1.814 2.279 7.559 511 HG2 GLN 61 2HG GLN 61 2.207 4.439 6.720 512 HG3 GLN 61 3HG GLN 61 0.620 4.515 5.956 513 HE21 GLN 61 1HE2 GLN 61 -1.090 3.797 7.862 514 HE22 GLN 61 2HE2 GLN 61 -1.014 4.871 9.213 515 H MET 62 H MET 62 -0.397 0.292 4.649 516 HA MET 62 HA MET 62 0.546 -1.956 6.191 517 HB2 MET 62 2HB MET 62 -1.501 -2.082 3.989 518 HB3 MET 62 3HB MET 62 -1.352 -3.116 5.404 519 HG2 MET 62 2HG MET 62 -2.083 -0.200 5.504 520 HG3 MET 62 3HG MET 62 -3.247 -1.523 5.498 521 HE1 MET 62 1HE MET 62 -3.690 -3.041 7.004 522 HE2 MET 62 2HE MET 62 -2.502 -3.640 8.161 523 HE3 MET 62 3HE MET 62 -3.805 -2.581 8.703 524 H SER 63 H SER 63 0.114 -1.361 2.698 525 HA SER 63 HA SER 63 1.121 -2.274 0.869 526 HB2 SER 63 2HB SER 63 3.583 -2.534 2.597 527 HB3 SER 63 3HB SER 63 3.498 -2.248 0.858 528 HG SER 63 HG SER 63 3.908 -0.394 2.400 529 H ALA 64 H ALA 64 -0.253 -4.096 2.613 530 HA ALA 64 HA ALA 64 0.505 -6.543 1.484 531 HB1 ALA 64 1HB ALA 64 1.066 -6.836 4.357 532 HB2 ALA 64 2HB ALA 64 1.844 -7.586 2.962 533 HB3 ALA 64 3HB ALA 64 2.275 -5.942 3.434 534 H GLY 65 H GLY 65 -1.888 -5.213 1.753 535 HA2 GLY 65 2HA GLY 65 -3.350 -6.889 3.700 536 HA3 GLY 65 3HA GLY 65 -3.849 -5.265 3.250 537 H ALA 66 H ALA 66 -4.313 -8.524 2.688 538 HA ALA 66 HA ALA 66 -4.923 -8.605 -0.053 539 HB1 ALA 66 1HB ALA 66 -6.507 -10.309 1.775 540 HB2 ALA 66 2HB ALA 66 -5.604 -10.734 0.320 541 HB3 ALA 66 3HB ALA 66 -4.752 -10.477 1.843 542 H THR 67 H THR 67 -6.685 -8.061 -1.212 543 HA THR 67 HA THR 67 -9.017 -7.014 0.257 544 HB THR 67 HB THR 67 -8.923 -5.801 -2.305 545 HG1 THR 67 HG1 THR 67 -6.539 -5.264 -0.865 546 HG21 THR 67 1HG2 THR 67 -9.927 -4.910 -0.212 547 HG22 THR 67 2HG2 THR 67 -8.887 -3.748 -1.036 548 HG23 THR 67 3HG2 THR 67 -8.300 -4.598 0.393 549 H PHE 68 H PHE 68 -11.024 -7.563 -0.480 550 HA PHE 68 HA PHE 68 -11.168 -9.235 -2.895 551 HB2 PHE 68 2HB PHE 68 -11.254 -10.792 -1.085 552 HB3 PHE 68 3HB PHE 68 -12.389 -9.787 -0.191 553 HD1 PHE 68 HD1 PHE 68 -12.093 -11.612 -3.425 554 HD2 PHE 68 HD2 PHE 68 -14.631 -10.298 -0.272 555 HE1 PHE 68 HE1 PHE 68 -13.969 -12.854 -4.422 556 HE2 PHE 68 HE2 PHE 68 -16.511 -11.539 -1.263 557 HZ PHE 68 HZ PHE 68 -16.181 -12.820 -3.340 558 H HIS 69 H HIS 69 -12.404 -8.220 -4.320 559 HA HIS 69 HA HIS 69 -14.456 -6.360 -3.432 560 HB2 HIS 69 2HB HIS 69 -13.425 -7.049 -6.190 561 HB3 HIS 69 3HB HIS 69 -14.662 -5.838 -5.866 562 HD1 HIS 69 HD1 HIS 69 -13.580 -3.644 -6.228 563 HD2 HIS 69 HD2 HIS 69 -11.121 -6.254 -4.129 564 HE1 HIS 69 HE1 HIS 69 -11.541 -2.304 -5.620 565 H MET 70 H MET 70 -16.640 -6.546 -3.871 566 HA MET 70 HA MET 70 -17.540 -9.136 -4.941 567 HB2 MET 70 2HB MET 70 -17.770 -9.188 -2.519 568 HB3 MET 70 3HB MET 70 -18.650 -7.666 -2.545 569 HG2 MET 70 2HG MET 70 -20.564 -8.725 -2.842 570 HG3 MET 70 3HG MET 70 -19.939 -9.529 -4.280 571 HE1 MET 70 1HE MET 70 -20.777 -9.942 -0.427 572 HE2 MET 70 2HE MET 70 -21.952 -10.259 -1.703 573 HE3 MET 70 3HE MET 70 -21.346 -11.587 -0.713 574 H VAL 71 H VAL 71 -19.104 -9.042 -6.442 575 HA VAL 71 HA VAL 71 -20.496 -6.472 -6.826 576 HB VAL 71 HB VAL 71 -19.665 -8.330 -9.055 577 HG11 VAL 71 1HG1 VAL 71 -20.250 -6.454 -10.500 578 HG12 VAL 71 2HG1 VAL 71 -21.631 -6.947 -9.517 579 HG13 VAL 71 3HG1 VAL 71 -20.714 -5.501 -9.091 580 HG21 VAL 71 1HG2 VAL 71 -17.624 -7.504 -8.270 581 HG22 VAL 71 2HG2 VAL 71 -18.056 -6.400 -9.576 582 HG23 VAL 71 3HG2 VAL 71 -18.303 -5.919 -7.897 583 H VAL 72 H VAL 72 -22.557 -6.772 -6.296 584 HA VAL 72 HA VAL 72 -23.822 -9.366 -6.705 585 HB VAL 72 HB VAL 72 -25.231 -6.979 -5.565 586 HG11 VAL 72 1HG1 VAL 72 -26.814 -8.508 -5.272 587 HG12 VAL 72 2HG1 VAL 72 -25.742 -9.787 -5.846 588 HG13 VAL 72 3HG1 VAL 72 -25.749 -9.340 -4.139 589 HG21 VAL 72 1HG2 VAL 72 -23.267 -8.746 -4.111 590 HG22 VAL 72 2HG2 VAL 72 -23.126 -7.010 -4.386 591 HG23 VAL 72 3HG2 VAL 72 -24.391 -7.635 -3.328 592 H ALA 73 H ALA 73 -24.475 -9.679 -8.749 593 HA ALA 73 HA ALA 73 -26.125 -7.574 -9.989 594 HB1 ALA 73 1HB ALA 73 -23.821 -8.028 -11.023 595 HB2 ALA 73 2HB ALA 73 -24.530 -9.538 -11.598 596 HB3 ALA 73 3HB ALA 73 -25.220 -7.994 -12.097 597 H LEU 74 H LEU 74 -28.142 -8.316 -9.584 598 HA LEU 74 HA LEU 74 -28.759 -11.080 -10.399 599 HB2 LEU 74 2HB LEU 74 -29.647 -9.411 -8.136 600 HB3 LEU 74 3HB LEU 74 -30.896 -10.382 -8.912 601 HG LEU 74 HG LEU 74 -29.979 -11.530 -6.978 602 HD11 LEU 74 1HD1 LEU 74 -30.399 -13.391 -8.102 603 HD12 LEU 74 2HD1 LEU 74 -28.765 -13.353 -8.765 604 HD13 LEU 74 3HD1 LEU 74 -30.084 -12.563 -9.627 605 HD21 LEU 74 1HD2 LEU 74 -27.773 -11.852 -6.557 606 HD22 LEU 74 2HD2 LEU 74 -27.637 -10.370 -7.503 607 HD23 LEU 74 3HD2 LEU 74 -27.343 -11.933 -8.265 608 H ARG 75 H ARG 75 -29.565 -7.716 -10.735 609 HA ARG 75 HA ARG 75 -31.996 -8.189 -12.206 610 HB2 ARG 75 2HB ARG 75 -30.586 -5.901 -11.105 611 HB3 ARG 75 3HB ARG 75 -31.169 -5.579 -12.732 612 HG2 ARG 75 2HG ARG 75 -33.101 -5.048 -11.771 613 HG3 ARG 75 3HG ARG 75 -33.328 -6.781 -11.532 614 HD2 ARG 75 2HD ARG 75 -32.482 -6.677 -9.321 615 HD3 ARG 75 3HD ARG 75 -31.877 -5.038 -9.557 616 HE ARG 75 HE ARG 75 -34.607 -4.921 -9.957 617 HH11 ARG 75 1HH1 ARG 75 -32.438 -5.776 -7.372 618 HH12 ARG 75 2HH1 ARG 75 -33.532 -5.293 -6.118 619 HH21 ARG 75 1HH2 ARG 75 -36.057 -4.282 -8.316 620 HH22 ARG 75 2HH2 ARG 75 -35.591 -4.444 -6.657 621 H ALA 76 H ALA 76 -28.805 -6.835 -13.051 622 HA ALA 76 HA ALA 76 -28.793 -8.209 -15.571 623 HB1 ALA 76 1HB ALA 76 -29.921 -6.634 -16.697 624 HB2 ALA 76 2HB ALA 76 -29.707 -5.432 -15.423 625 HB3 ALA 76 3HB ALA 76 -28.421 -5.712 -16.597 626 H GLY 77 H GLY 77 -26.793 -7.838 -16.784 627 HA2 GLY 77 2HA GLY 77 -24.596 -6.800 -16.871 628 HA3 GLY 77 3HA GLY 77 -24.649 -6.678 -15.119 629 H CYS 78 H CYS 78 -25.040 -9.263 -17.550 630 HA CYS 78 HA CYS 78 -23.722 -11.148 -15.796 631 HB2 CYS 78 2HB CYS 78 -25.104 -11.321 -18.449 632 HB3 CYS 78 3HB CYS 78 -24.048 -12.632 -17.936 633 HG CYS 78 HG CYS 78 -27.023 -12.789 -17.454 Start of MODEL 2 1 H MET 1 H MET 1 1.734 0.153 0.870 2 HA MET 1 HA MET 1 1.848 1.051 -1.693 3 HB2 MET 1 2HB MET 1 3.738 0.381 -0.010 4 HB3 MET 1 3HB MET 1 3.716 -1.146 -0.882 5 HG2 MET 1 2HG MET 1 4.712 -0.279 -2.690 6 HG3 MET 1 3HG MET 1 3.823 1.239 -2.581 7 HE1 MET 1 1HE MET 1 6.850 -0.187 -2.896 8 HE2 MET 1 2HE MET 1 7.165 1.496 -3.319 9 HE3 MET 1 3HE MET 1 8.064 0.734 -2.006 10 H LEU 2 H LEU 2 2.201 -2.421 -0.947 11 HA LEU 2 HA LEU 2 1.081 -3.016 -3.597 12 HB2 LEU 2 2HB LEU 2 3.283 -3.920 -3.247 13 HB3 LEU 2 3HB LEU 2 2.778 -4.668 -1.734 14 HG LEU 2 HG LEU 2 1.325 -5.508 -4.170 15 HD11 LEU 2 1HD1 LEU 2 4.202 -5.567 -4.031 16 HD12 LEU 2 2HD1 LEU 2 3.129 -6.045 -5.346 17 HD13 LEU 2 3HD1 LEU 2 3.537 -7.200 -4.077 18 HD21 LEU 2 1HD2 LEU 2 1.216 -6.320 -1.657 19 HD22 LEU 2 2HD2 LEU 2 2.559 -7.338 -2.179 20 HD23 LEU 2 3HD2 LEU 2 1.002 -7.441 -3.002 21 H LEU 3 H LEU 3 -0.863 -3.920 -3.771 22 HA LEU 3 HA LEU 3 -1.955 -5.439 -1.518 23 HB2 LEU 3 2HB LEU 3 -3.933 -4.243 -1.383 24 HB3 LEU 3 3HB LEU 3 -2.710 -2.987 -1.557 25 HG LEU 3 HG LEU 3 -4.440 -4.014 -3.805 26 HD11 LEU 3 1HD1 LEU 3 -4.983 -2.114 -1.690 27 HD12 LEU 3 2HD1 LEU 3 -6.065 -2.793 -2.905 28 HD13 LEU 3 3HD1 LEU 3 -5.090 -1.374 -3.287 29 HD21 LEU 3 1HD2 LEU 3 -2.270 -1.989 -3.578 30 HD22 LEU 3 2HD2 LEU 3 -3.613 -1.674 -4.678 31 HD23 LEU 3 3HD2 LEU 3 -2.627 -3.123 -4.881 32 H LYS 4 H LYS 4 -3.498 -6.996 -2.079 33 HA LYS 4 HA LYS 4 -3.662 -7.558 -4.967 34 HB2 LYS 4 2HB LYS 4 -2.372 -9.243 -3.771 35 HB3 LYS 4 3HB LYS 4 -3.689 -9.475 -2.629 36 HG2 LYS 4 2HG LYS 4 -4.977 -10.637 -4.136 37 HG3 LYS 4 3HG LYS 4 -4.188 -9.905 -5.536 38 HD2 LYS 4 2HD LYS 4 -3.553 -12.248 -5.307 39 HD3 LYS 4 3HD LYS 4 -2.159 -11.194 -5.061 40 HE2 LYS 4 2HE LYS 4 -1.810 -12.127 -3.078 41 HE3 LYS 4 3HE LYS 4 -3.401 -11.587 -2.544 42 HZ1 LYS 4 1HZ LYS 4 -4.171 -13.684 -3.859 43 HZ2 LYS 4 2HZ LYS 4 -3.582 -13.836 -2.281 44 HZ3 LYS 4 3HZ LYS 4 -2.582 -14.201 -3.595 45 H VAL 5 H VAL 5 -5.601 -7.074 -5.748 46 HA VAL 5 HA VAL 5 -7.958 -7.380 -4.022 47 HB VAL 5 HB VAL 5 -9.137 -5.983 -5.683 48 HG11 VAL 5 1HG1 VAL 5 -7.771 -3.875 -5.263 49 HG12 VAL 5 2HG1 VAL 5 -8.277 -4.796 -3.845 50 HG13 VAL 5 3HG1 VAL 5 -6.619 -4.921 -4.434 51 HG21 VAL 5 1HG2 VAL 5 -7.046 -4.804 -7.109 52 HG22 VAL 5 2HG2 VAL 5 -6.772 -6.541 -7.234 53 HG23 VAL 5 3HG2 VAL 5 -8.313 -5.853 -7.746 54 H LYS 6 H LYS 6 -9.373 -8.960 -4.369 55 HA LYS 6 HA LYS 6 -9.381 -10.294 -6.995 56 HB2 LYS 6 2HB LYS 6 -9.966 -12.404 -5.658 57 HB3 LYS 6 3HB LYS 6 -8.293 -11.861 -5.629 58 HG2 LYS 6 2HG LYS 6 -9.773 -10.657 -3.480 59 HG3 LYS 6 3HG LYS 6 -9.943 -12.413 -3.447 60 HD2 LYS 6 2HD LYS 6 -7.220 -11.389 -3.939 61 HD3 LYS 6 3HD LYS 6 -7.879 -11.083 -2.331 62 HE2 LYS 6 2HE LYS 6 -8.559 -13.684 -2.687 63 HE3 LYS 6 3HE LYS 6 -7.051 -13.607 -3.596 64 HZ1 LYS 6 1HZ LYS 6 -6.105 -12.500 -1.538 65 HZ2 LYS 6 2HZ LYS 6 -6.432 -14.156 -1.428 66 HZ3 LYS 6 3HZ LYS 6 -7.490 -13.037 -0.728 67 H THR 7 H THR 7 -11.294 -10.179 -7.948 68 HA THR 7 HA THR 7 -13.644 -9.439 -6.407 69 HB THR 7 HB THR 7 -14.751 -9.091 -8.528 70 HG1 THR 7 HG1 THR 7 -13.473 -9.513 -10.483 71 HG21 THR 7 1HG2 THR 7 -12.425 -7.838 -9.535 72 HG22 THR 7 2HG2 THR 7 -12.314 -7.799 -7.775 73 HG23 THR 7 3HG2 THR 7 -13.724 -7.117 -8.585 74 H VAL 8 H VAL 8 -15.760 -10.526 -7.092 75 HA VAL 8 HA VAL 8 -15.603 -13.277 -6.407 76 HB VAL 8 HB VAL 8 -17.533 -11.806 -5.841 77 HG11 VAL 8 1HG1 VAL 8 -17.501 -10.964 -8.363 78 HG12 VAL 8 2HG1 VAL 8 -18.707 -12.242 -8.528 79 HG13 VAL 8 3HG1 VAL 8 -18.962 -10.930 -7.377 80 HG21 VAL 8 1HG2 VAL 8 -18.728 -14.008 -7.418 81 HG22 VAL 8 2HG2 VAL 8 -17.507 -14.449 -6.225 82 HG23 VAL 8 3HG2 VAL 8 -18.954 -13.574 -5.724 83 H SER 9 H SER 9 -15.165 -11.686 -9.326 84 HA SER 9 HA SER 9 -16.212 -13.808 -11.005 85 HB2 SER 9 2HB SER 9 -15.216 -11.070 -11.407 86 HB3 SER 9 3HB SER 9 -14.759 -12.199 -12.681 87 HG SER 9 HG SER 9 -17.357 -11.522 -11.789 88 H ASN 10 H ASN 10 -13.767 -13.900 -9.060 89 HA ASN 10 HA ASN 10 -11.862 -15.141 -8.938 90 HB2 ASN 10 2HB ASN 10 -13.378 -16.403 -10.912 91 HB3 ASN 10 3HB ASN 10 -11.787 -16.205 -11.641 92 HD21 ASN 10 1HD2 ASN 10 -13.393 -17.339 -8.705 93 HD22 ASN 10 2HD2 ASN 10 -12.259 -18.597 -8.360 94 H LYS 11 H LYS 11 -11.900 -12.410 -9.969 95 HA LYS 11 HA LYS 11 -9.541 -12.451 -11.728 96 HB2 LYS 11 2HB LYS 11 -11.590 -10.292 -11.211 97 HB3 LYS 11 3HB LYS 11 -10.126 -10.041 -12.152 98 HG2 LYS 11 2HG LYS 11 -10.846 -11.670 -13.781 99 HG3 LYS 11 3HG LYS 11 -12.270 -12.050 -12.811 100 HD2 LYS 11 2HD LYS 11 -13.267 -9.983 -13.253 101 HD3 LYS 11 3HD LYS 11 -11.744 -9.255 -13.767 102 HE2 LYS 11 2HE LYS 11 -11.743 -10.551 -15.788 103 HE3 LYS 11 3HE LYS 11 -13.143 -11.477 -15.248 104 HZ1 LYS 11 1HZ LYS 11 -14.252 -9.154 -15.156 105 HZ2 LYS 11 2HZ LYS 11 -14.090 -9.942 -16.644 106 HZ3 LYS 11 3HZ LYS 11 -13.016 -8.705 -16.220 107 H VAL 12 H VAL 12 -7.775 -12.480 -10.466 108 HA VAL 12 HA VAL 12 -7.662 -10.638 -8.174 109 HB VAL 12 HB VAL 12 -5.797 -12.941 -8.742 110 HG11 VAL 12 1HG1 VAL 12 -4.787 -11.335 -7.299 111 HG12 VAL 12 2HG1 VAL 12 -6.257 -11.193 -6.332 112 HG13 VAL 12 3HG1 VAL 12 -5.316 -12.685 -6.296 113 HG21 VAL 12 1HG2 VAL 12 -7.259 -13.735 -6.602 114 HG22 VAL 12 2HG2 VAL 12 -8.481 -12.883 -7.546 115 HG23 VAL 12 3HG2 VAL 12 -7.585 -14.221 -8.266 116 H ILE 13 H ILE 13 -6.365 -8.921 -8.246 117 HA ILE 13 HA ILE 13 -4.201 -8.873 -10.241 118 HB ILE 13 HB ILE 13 -6.054 -6.583 -9.571 119 HG12 ILE 13 2HG1 ILE 13 -7.107 -8.206 -11.047 120 HG13 ILE 13 3HG1 ILE 13 -6.702 -6.755 -11.956 121 HG21 ILE 13 1HG2 ILE 13 -3.577 -6.739 -11.265 122 HG22 ILE 13 2HG2 ILE 13 -4.782 -5.469 -11.464 123 HG23 ILE 13 3HG2 ILE 13 -3.926 -5.639 -9.932 124 HD11 ILE 13 1HD1 ILE 13 -5.657 -8.029 -13.425 125 HD12 ILE 13 2HD1 ILE 13 -4.492 -8.469 -12.176 126 HD13 ILE 13 3HD1 ILE 13 -5.929 -9.459 -12.429 127 H GLN 14 H GLN 14 -2.314 -8.705 -9.243 128 HA GLN 14 HA GLN 14 -2.191 -7.315 -6.657 129 HB2 GLN 14 2HB GLN 14 -1.425 -9.587 -6.508 130 HB3 GLN 14 3HB GLN 14 -0.375 -9.380 -7.904 131 HG2 GLN 14 2HG GLN 14 0.310 -7.426 -5.952 132 HG3 GLN 14 3HG GLN 14 0.233 -9.006 -5.175 133 HE21 GLN 14 1HE2 GLN 14 1.176 -8.103 -8.461 134 HE22 GLN 14 2HE2 GLN 14 2.778 -8.744 -8.367 135 H ILE 15 H ILE 15 -1.467 -5.302 -6.725 136 HA ILE 15 HA ILE 15 0.601 -4.619 -8.712 137 HB ILE 15 HB ILE 15 -0.294 -2.273 -8.590 138 HG12 ILE 15 2HG1 ILE 15 -2.633 -3.655 -7.257 139 HG13 ILE 15 3HG1 ILE 15 -1.538 -2.517 -6.480 140 HG21 ILE 15 1HG2 ILE 15 -2.612 -3.609 -9.656 141 HG22 ILE 15 2HG2 ILE 15 -1.322 -2.754 -10.500 142 HG23 ILE 15 3HG2 ILE 15 -1.135 -4.462 -10.101 143 HD11 ILE 15 1HD1 ILE 15 -3.170 -1.058 -6.980 144 HD12 ILE 15 2HD1 ILE 15 -2.366 -1.023 -8.549 145 HD13 ILE 15 3HD1 ILE 15 -3.789 -2.037 -8.309 146 H THR 16 H THR 16 2.178 -3.072 -8.083 147 HA THR 16 HA THR 16 2.479 -2.807 -5.162 148 HB THR 16 HB THR 16 4.174 -4.309 -5.978 149 HG1 THR 16 HG1 THR 16 5.611 -3.306 -4.795 150 HG21 THR 16 1HG2 THR 16 4.706 -4.124 -8.152 151 HG22 THR 16 2HG2 THR 16 5.862 -2.901 -7.623 152 HG23 THR 16 3HG2 THR 16 4.269 -2.416 -8.204 153 H SER 17 H SER 17 1.077 -0.832 -6.026 154 HA SER 17 HA SER 17 2.685 1.468 -5.675 155 HB2 SER 17 2HB SER 17 3.369 1.341 -7.924 156 HB3 SER 17 3HB SER 17 1.775 0.823 -8.473 157 HG SER 17 HG SER 17 2.380 3.383 -7.403 158 H LEU 18 H LEU 18 1.061 1.634 -4.040 159 HA LEU 18 HA LEU 18 -1.599 2.417 -5.017 160 HB2 LEU 18 2HB LEU 18 -0.744 0.783 -2.868 161 HB3 LEU 18 3HB LEU 18 -1.500 2.217 -2.175 162 HG LEU 18 HG LEU 18 -2.764 0.258 -4.090 163 HD11 LEU 18 1HD1 LEU 18 -4.352 0.137 -2.031 164 HD12 LEU 18 2HD1 LEU 18 -2.951 0.744 -1.151 165 HD13 LEU 18 3HD1 LEU 18 -2.844 -0.778 -2.035 166 HD21 LEU 18 1HD2 LEU 18 -4.825 1.708 -3.374 167 HD22 LEU 18 2HD2 LEU 18 -3.797 2.210 -4.716 168 HD23 LEU 18 3HD2 LEU 18 -3.600 2.952 -3.127 169 H THR 19 H THR 19 -2.614 4.287 -4.148 170 HA THR 19 HA THR 19 -0.779 6.466 -3.726 171 HB THR 19 HB THR 19 -3.655 6.987 -3.336 172 HG1 THR 19 HG1 THR 19 -2.623 5.948 -5.780 173 HG21 THR 19 1HG2 THR 19 -2.363 8.336 -5.534 174 HG22 THR 19 2HG2 THR 19 -1.359 8.401 -4.086 175 HG23 THR 19 3HG2 THR 19 -3.015 9.005 -4.039 176 H ASP 20 H ASP 20 -1.635 8.174 -2.016 177 HA ASP 20 HA ASP 20 -2.049 6.749 0.530 178 HB2 ASP 20 2HB ASP 20 -0.698 8.907 1.375 179 HB3 ASP 20 3HB ASP 20 0.102 7.410 0.904 180 H ASP 21 H ASP 21 -3.372 8.848 -1.608 181 HA ASP 21 HA ASP 21 -4.563 10.634 0.368 182 HB2 ASP 21 2HB ASP 21 -4.975 10.555 -2.628 183 HB3 ASP 21 3HB ASP 21 -5.490 11.834 -1.533 184 H ASN 22 H ASN 22 -5.604 8.277 -2.083 185 HA ASN 22 HA ASN 22 -8.155 8.032 -0.627 186 HB2 ASN 22 2HB ASN 22 -7.533 8.160 -3.523 187 HB3 ASN 22 3HB ASN 22 -8.771 7.003 -3.043 188 HD21 ASN 22 1HD2 ASN 22 -7.989 10.152 -1.653 189 HD22 ASN 22 2HD2 ASN 22 -9.529 10.870 -1.965 190 H THR 23 H THR 23 -5.891 6.222 -2.696 191 HA THR 23 HA THR 23 -5.201 4.053 -2.666 192 HB THR 23 HB THR 23 -6.219 4.144 0.180 193 HG1 THR 23 HG1 THR 23 -4.339 5.495 -0.624 194 HG21 THR 23 1HG2 THR 23 -4.219 2.225 -0.011 195 HG22 THR 23 2HG2 THR 23 -5.229 1.943 -1.429 196 HG23 THR 23 3HG2 THR 23 -5.946 1.926 0.182 197 H ILE 24 H ILE 24 -7.829 3.468 -0.393 198 HA ILE 24 HA ILE 24 -8.869 1.293 -1.820 199 HB ILE 24 HB ILE 24 -10.242 3.031 0.233 200 HG12 ILE 24 2HG1 ILE 24 -9.667 0.707 1.491 201 HG13 ILE 24 3HG1 ILE 24 -8.314 0.787 0.368 202 HG21 ILE 24 1HG2 ILE 24 -11.355 0.541 0.420 203 HG22 ILE 24 2HG2 ILE 24 -12.076 1.921 -0.406 204 HG23 ILE 24 3HG2 ILE 24 -11.151 0.731 -1.321 205 HD11 ILE 24 1HD1 ILE 24 -8.721 3.328 1.647 206 HD12 ILE 24 2HD1 ILE 24 -8.535 2.040 2.838 207 HD13 ILE 24 3HD1 ILE 24 -7.291 2.297 1.615 208 H ALA 25 H ALA 25 -10.401 4.484 -1.349 209 HA ALA 25 HA ALA 25 -12.467 4.170 -3.167 210 HB1 ALA 25 1HB ALA 25 -11.664 6.158 -1.492 211 HB2 ALA 25 2HB ALA 25 -11.361 6.882 -3.072 212 HB3 ALA 25 3HB ALA 25 -12.974 6.296 -2.665 213 H GLU 26 H GLU 26 -9.136 5.173 -3.712 214 HA GLU 26 HA GLU 26 -9.489 5.979 -6.411 215 HB2 GLU 26 2HB GLU 26 -7.559 6.587 -4.882 216 HB3 GLU 26 3HB GLU 26 -6.930 4.971 -5.171 217 HG2 GLU 26 2HG GLU 26 -5.774 6.161 -6.734 218 HG3 GLU 26 3HG GLU 26 -7.169 5.653 -7.683 219 H LEU 27 H LEU 27 -8.515 2.944 -4.882 220 HA LEU 27 HA LEU 27 -7.897 1.568 -7.275 221 HB2 LEU 27 2HB LEU 27 -8.003 1.003 -4.473 222 HB3 LEU 27 3HB LEU 27 -8.810 -0.289 -5.359 223 HG LEU 27 HG LEU 27 -6.394 -0.695 -4.870 224 HD11 LEU 27 1HD1 LEU 27 -5.887 -1.583 -7.062 225 HD12 LEU 27 2HD1 LEU 27 -7.108 -0.544 -7.795 226 HD13 LEU 27 3HD1 LEU 27 -7.593 -1.832 -6.693 227 HD21 LEU 27 1HD2 LEU 27 -5.649 1.136 -7.081 228 HD22 LEU 27 2HD2 LEU 27 -4.713 0.603 -5.684 229 HD23 LEU 27 3HD2 LEU 27 -5.948 1.849 -5.495 230 H LYS 28 H LYS 28 -10.806 1.557 -5.225 231 HA LYS 28 HA LYS 28 -12.305 -0.176 -6.877 232 HB2 LYS 28 2HB LYS 28 -14.234 0.540 -5.576 233 HB3 LYS 28 3HB LYS 28 -12.859 0.254 -4.517 234 HG2 LYS 28 2HG LYS 28 -12.430 2.708 -4.526 235 HG3 LYS 28 3HG LYS 28 -13.936 2.913 -5.423 236 HD2 LYS 28 2HD LYS 28 -13.657 1.666 -2.688 237 HD3 LYS 28 3HD LYS 28 -14.271 3.285 -3.031 238 HE2 LYS 28 2HE LYS 28 -15.993 2.086 -4.518 239 HE3 LYS 28 3HE LYS 28 -15.512 0.626 -3.656 240 HZ1 LYS 28 1HZ LYS 28 -17.481 1.880 -2.740 241 HZ2 LYS 28 2HZ LYS 28 -16.391 3.075 -2.246 242 HZ3 LYS 28 3HZ LYS 28 -16.260 1.505 -1.630 243 H GLY 29 H GLY 29 -11.999 3.342 -6.744 244 HA2 GLY 29 2HA GLY 29 -14.064 3.907 -8.606 245 HA3 GLY 29 3HA GLY 29 -12.759 4.993 -8.150 246 H LYS 30 H LYS 30 -10.650 3.171 -8.970 247 HA LYS 30 HA LYS 30 -10.525 3.922 -11.729 248 HB2 LYS 30 2HB LYS 30 -8.712 2.547 -9.800 249 HB3 LYS 30 3HB LYS 30 -8.392 2.357 -11.519 250 HG2 LYS 30 2HG LYS 30 -8.868 5.117 -10.938 251 HG3 LYS 30 3HG LYS 30 -7.641 4.479 -9.841 252 HD2 LYS 30 2HD LYS 30 -6.465 3.540 -11.844 253 HD3 LYS 30 3HD LYS 30 -7.619 4.413 -12.856 254 HE2 LYS 30 2HE LYS 30 -6.903 6.514 -11.681 255 HE3 LYS 30 3HE LYS 30 -5.622 5.572 -10.920 256 HZ1 LYS 30 1HZ LYS 30 -5.968 6.213 -13.786 257 HZ2 LYS 30 2HZ LYS 30 -4.963 4.952 -13.275 258 HZ3 LYS 30 3HZ LYS 30 -4.642 6.540 -12.788 259 H LEU 31 H LEU 31 -11.231 0.985 -9.964 260 HA LEU 31 HA LEU 31 -11.009 -0.801 -12.159 261 HB2 LEU 31 2HB LEU 31 -11.128 -1.233 -9.582 262 HB3 LEU 31 3HB LEU 31 -12.865 -1.299 -9.874 263 HG LEU 31 HG LEU 31 -11.859 -3.528 -9.823 264 HD11 LEU 31 1HD1 LEU 31 -12.570 -3.112 -12.682 265 HD12 LEU 31 2HD1 LEU 31 -13.766 -2.732 -11.445 266 HD13 LEU 31 3HD1 LEU 31 -13.099 -4.360 -11.555 267 HD21 LEU 31 1HD2 LEU 31 -10.124 -4.216 -11.145 268 HD22 LEU 31 2HD2 LEU 31 -9.670 -2.530 -10.896 269 HD23 LEU 31 3HD2 LEU 31 -10.456 -3.020 -12.398 270 H GLU 32 H GLU 32 -13.728 0.952 -10.715 271 HA GLU 32 HA GLU 32 -15.716 -0.164 -12.399 272 HB2 GLU 32 2HB GLU 32 -17.111 1.743 -11.627 273 HB3 GLU 32 3HB GLU 32 -16.353 0.857 -10.311 274 HG2 GLU 32 2HG GLU 32 -14.611 2.590 -10.180 275 HG3 GLU 32 3HG GLU 32 -15.443 3.491 -11.446 276 H GLU 33 H GLU 33 -13.762 2.779 -12.578 277 HA GLU 33 HA GLU 33 -15.028 3.833 -14.885 278 HB2 GLU 33 2HB GLU 33 -13.298 4.853 -13.096 279 HB3 GLU 33 3HB GLU 33 -12.175 4.476 -14.395 280 HG2 GLU 33 2HG GLU 33 -13.391 5.864 -15.927 281 HG3 GLU 33 3HG GLU 33 -14.659 6.138 -14.734 282 H SER 34 H SER 34 -12.335 1.642 -14.382 283 HA SER 34 HA SER 34 -11.302 1.673 -17.002 284 HB2 SER 34 2HB SER 34 -10.065 0.734 -15.094 285 HB3 SER 34 3HB SER 34 -11.247 -0.568 -14.965 286 HG SER 34 HG SER 34 -9.134 -0.292 -16.671 287 H GLU 35 H GLU 35 -13.774 -0.335 -15.458 288 HA GLU 35 HA GLU 35 -14.216 -1.905 -17.830 289 HB2 GLU 35 2HB GLU 35 -15.450 -1.764 -15.109 290 HB3 GLU 35 3HB GLU 35 -16.320 -2.578 -16.402 291 HG2 GLU 35 2HG GLU 35 -13.473 -3.278 -15.842 292 HG3 GLU 35 3HG GLU 35 -14.765 -3.935 -14.839 293 H GLY 36 H GLY 36 -15.066 1.182 -16.927 294 HA2 GLY 36 2HA GLY 36 -16.298 2.652 -18.298 295 HA3 GLY 36 3HA GLY 36 -17.126 1.269 -18.999 296 H ILE 37 H ILE 37 -18.052 -0.013 -16.736 297 HA ILE 37 HA ILE 37 -19.658 1.985 -15.315 298 HB ILE 37 HB ILE 37 -21.662 0.449 -15.595 299 HG12 ILE 37 2HG1 ILE 37 -20.353 -0.501 -18.114 300 HG13 ILE 37 3HG1 ILE 37 -20.034 -1.357 -16.609 301 HG21 ILE 37 1HG2 ILE 37 -20.726 1.715 -18.157 302 HG22 ILE 37 2HG2 ILE 37 -22.378 1.545 -17.565 303 HG23 ILE 37 3HG2 ILE 37 -21.264 2.651 -16.763 304 HD11 ILE 37 1HD1 ILE 37 -22.810 -1.014 -16.733 305 HD12 ILE 37 2HD1 ILE 37 -22.297 -1.522 -18.342 306 HD13 ILE 37 3HD1 ILE 37 -21.890 -2.504 -16.935 307 HA PRO 38 HA PRO 38 -18.941 -0.502 -11.768 308 HB2 PRO 38 2HB PRO 38 -21.208 -0.055 -10.343 309 HB3 PRO 38 3HB PRO 38 -19.944 1.164 -10.544 310 HG2 PRO 38 2HG PRO 38 -22.536 0.863 -12.012 311 HG3 PRO 38 3HG PRO 38 -21.771 2.333 -11.381 312 HD2 PRO 38 2HD PRO 38 -21.643 1.630 -13.993 313 HD3 PRO 38 3HD PRO 38 -20.334 2.507 -13.175 314 H GLY 39 H GLY 39 -19.175 -2.592 -11.193 315 HA2 GLY 39 2HA GLY 39 -20.714 -4.373 -12.692 316 HA3 GLY 39 3HA GLY 39 -19.976 -4.741 -11.140 317 H ASN 40 H ASN 40 -21.341 -3.061 -9.448 318 HA ASN 40 HA ASN 40 -24.090 -2.895 -9.699 319 HB2 ASN 40 2HB ASN 40 -23.233 -5.599 -9.393 320 HB3 ASN 40 3HB ASN 40 -24.064 -5.118 -7.916 321 HD21 ASN 40 1HD2 ASN 40 -26.235 -4.687 -7.965 322 HD22 ASN 40 2HD2 ASN 40 -27.234 -5.029 -9.333 323 H MET 41 H MET 41 -22.202 -4.421 -7.092 324 HA MET 41 HA MET 41 -23.015 -2.224 -5.325 325 HB2 MET 41 2HB MET 41 -22.450 -5.095 -4.942 326 HB3 MET 41 3HB MET 41 -21.862 -4.038 -3.666 327 HG2 MET 41 2HG MET 41 -24.176 -3.080 -3.532 328 HG3 MET 41 3HG MET 41 -24.690 -4.365 -4.622 329 HE1 MET 41 1HE MET 41 -24.245 -3.938 -0.442 330 HE2 MET 41 2HE MET 41 -22.701 -4.771 -0.628 331 HE3 MET 41 3HE MET 41 -23.033 -3.309 -1.559 332 H ILE 42 H ILE 42 -20.200 -3.976 -6.509 333 HA ILE 42 HA ILE 42 -17.958 -3.581 -6.349 334 HB ILE 42 HB ILE 42 -18.633 -0.659 -6.159 335 HG12 ILE 42 2HG1 ILE 42 -18.482 -1.111 -8.840 336 HG13 ILE 42 3HG1 ILE 42 -19.298 -2.576 -8.303 337 HG21 ILE 42 1HG2 ILE 42 -16.249 -1.966 -6.340 338 HG22 ILE 42 2HG2 ILE 42 -16.596 -1.611 -8.032 339 HG23 ILE 42 3HG2 ILE 42 -16.532 -0.302 -6.852 340 HD11 ILE 42 1HD1 ILE 42 -21.162 -1.377 -8.489 341 HD12 ILE 42 2HD1 ILE 42 -20.668 -0.622 -6.973 342 HD13 ILE 42 3HD1 ILE 42 -20.285 0.153 -8.511 343 H ARG 43 H ARG 43 -18.759 -4.368 -3.960 344 HA ARG 43 HA ARG 43 -17.476 -2.496 -2.079 345 HB2 ARG 43 2HB ARG 43 -20.070 -3.333 -1.942 346 HB3 ARG 43 3HB ARG 43 -19.269 -4.533 -0.936 347 HG2 ARG 43 2HG ARG 43 -19.653 -3.011 0.675 348 HG3 ARG 43 3HG ARG 43 -18.156 -2.309 0.060 349 HD2 ARG 43 2HD ARG 43 -19.345 -0.717 -1.247 350 HD3 ARG 43 3HD ARG 43 -20.881 -1.532 -0.953 351 HE ARG 43 HE ARG 43 -19.576 -0.590 1.433 352 HH11 ARG 43 1HH1 ARG 43 -21.749 0.213 -1.165 353 HH12 ARG 43 2HH1 ARG 43 -22.546 1.474 -0.283 354 HH21 ARG 43 1HH2 ARG 43 -20.617 1.067 2.605 355 HH22 ARG 43 2HH2 ARG 43 -21.901 1.959 1.861 356 H LEU 44 H LEU 44 -15.636 -3.204 -1.238 357 HA LEU 44 HA LEU 44 -15.053 -6.082 -1.354 358 HB2 LEU 44 2HB LEU 44 -12.690 -5.415 -1.164 359 HB3 LEU 44 3HB LEU 44 -13.485 -4.748 -2.588 360 HG LEU 44 HG LEU 44 -13.333 -3.048 -0.153 361 HD11 LEU 44 1HD1 LEU 44 -11.106 -3.681 -0.087 362 HD12 LEU 44 2HD1 LEU 44 -11.074 -2.255 -1.123 363 HD13 LEU 44 3HD1 LEU 44 -10.999 -3.865 -1.838 364 HD21 LEU 44 1HD2 LEU 44 -12.646 -1.566 -2.336 365 HD22 LEU 44 2HD2 LEU 44 -14.285 -1.751 -1.711 366 HD23 LEU 44 3HD2 LEU 44 -13.727 -2.769 -3.040 367 H VAL 45 H VAL 45 -13.909 -7.059 0.426 368 HA VAL 45 HA VAL 45 -14.513 -5.756 3.001 369 HB VAL 45 HB VAL 45 -14.321 -8.721 2.450 370 HG11 VAL 45 1HG1 VAL 45 -15.294 -7.278 4.912 371 HG12 VAL 45 2HG1 VAL 45 -15.125 -9.021 4.695 372 HG13 VAL 45 3HG1 VAL 45 -13.692 -7.993 4.740 373 HG21 VAL 45 1HG2 VAL 45 -16.584 -6.813 2.390 374 HG22 VAL 45 2HG2 VAL 45 -16.333 -8.304 1.482 375 HG23 VAL 45 3HG2 VAL 45 -16.871 -8.373 3.160 376 H TYR 46 H TYR 46 -12.778 -5.096 4.067 377 HA TYR 46 HA TYR 46 -10.192 -6.361 3.518 378 HB2 TYR 46 2HB TYR 46 -10.873 -3.716 3.632 379 HB3 TYR 46 3HB TYR 46 -10.240 -3.984 5.252 380 HD1 TYR 46 HD1 TYR 46 -8.102 -5.946 4.735 381 HD2 TYR 46 HD2 TYR 46 -9.227 -2.473 2.549 382 HE1 TYR 46 HE1 TYR 46 -5.807 -5.753 3.873 383 HE2 TYR 46 HE2 TYR 46 -6.935 -2.271 1.680 384 HH TYR 46 HH TYR 46 -4.968 -3.477 1.373 385 H GLN 47 H GLN 47 -9.548 -7.886 4.874 386 HA GLN 47 HA GLN 47 -9.249 -9.133 6.753 387 HB2 GLN 47 2HB GLN 47 -8.461 -6.571 7.345 388 HB3 GLN 47 3HB GLN 47 -9.595 -6.917 8.644 389 HG2 GLN 47 2HG GLN 47 -7.987 -7.996 9.703 390 HG3 GLN 47 3HG GLN 47 -7.978 -9.191 8.408 391 HE21 GLN 47 1HE2 GLN 47 -6.743 -5.941 9.113 392 HE22 GLN 47 2HE2 GLN 47 -5.196 -6.185 8.383 393 H GLY 48 H GLY 48 -11.937 -8.849 5.789 394 HA2 GLY 48 2HA GLY 48 -13.977 -9.693 6.481 395 HA3 GLY 48 3HA GLY 48 -13.324 -9.836 8.106 396 H LYS 49 H LYS 49 -12.803 -6.750 6.926 397 HA LYS 49 HA LYS 49 -15.216 -5.758 8.299 398 HB2 LYS 49 2HB LYS 49 -12.464 -5.199 8.760 399 HB3 LYS 49 3HB LYS 49 -13.207 -3.735 8.130 400 HG2 LYS 49 2HG LYS 49 -13.299 -3.727 10.534 401 HG3 LYS 49 3HG LYS 49 -14.932 -3.885 9.881 402 HD2 LYS 49 2HD LYS 49 -14.619 -5.394 11.761 403 HD3 LYS 49 3HD LYS 49 -14.838 -6.310 10.267 404 HE2 LYS 49 2HE LYS 49 -12.530 -6.818 10.134 405 HE3 LYS 49 3HE LYS 49 -12.124 -5.639 11.380 406 HZ1 LYS 49 1HZ LYS 49 -12.335 -8.205 11.893 407 HZ2 LYS 49 2HZ LYS 49 -13.958 -7.787 12.117 408 HZ3 LYS 49 3HZ LYS 49 -12.756 -7.029 13.035 409 H GLN 50 H GLN 50 -15.970 -3.607 7.558 410 HA GLN 50 HA GLN 50 -15.556 -3.293 4.657 411 HB2 GLN 50 2HB GLN 50 -18.058 -2.875 6.297 412 HB3 GLN 50 3HB GLN 50 -17.895 -2.380 4.617 413 HG2 GLN 50 2HG GLN 50 -17.199 -4.912 4.318 414 HG3 GLN 50 3HG GLN 50 -18.162 -5.092 5.783 415 HE21 GLN 50 1HE2 GLN 50 -20.115 -5.770 5.304 416 HE22 GLN 50 2HE2 GLN 50 -21.084 -5.243 3.975 417 H LEU 51 H LEU 51 -16.389 -1.002 3.960 418 HA LEU 51 HA LEU 51 -15.928 1.225 3.913 419 HB2 LEU 51 2HB LEU 51 -16.040 1.280 6.899 420 HB3 LEU 51 3HB LEU 51 -16.600 2.484 5.740 421 HG LEU 51 HG LEU 51 -18.202 0.283 5.232 422 HD11 LEU 51 1HD1 LEU 51 -17.854 -0.997 7.084 423 HD12 LEU 51 2HD1 LEU 51 -19.108 0.075 7.705 424 HD13 LEU 51 3HD1 LEU 51 -17.416 0.382 8.094 425 HD21 LEU 51 1HD2 LEU 51 -18.596 2.811 6.805 426 HD22 LEU 51 2HD2 LEU 51 -19.915 1.682 6.499 427 HD23 LEU 51 3HD2 LEU 51 -19.085 2.456 5.148 428 H GLU 52 H GLU 52 -13.816 1.177 3.201 429 HA GLU 52 HA GLU 52 -11.767 1.483 5.297 430 HB2 GLU 52 2HB GLU 52 -11.436 0.234 2.563 431 HB3 GLU 52 3HB GLU 52 -10.142 0.497 3.724 432 HG2 GLU 52 2HG GLU 52 -12.428 -1.428 3.866 433 HG3 GLU 52 3HG GLU 52 -10.698 -1.750 3.962 434 H ASP 53 H ASP 53 -13.470 3.061 2.983 435 HA ASP 53 HA ASP 53 -11.637 4.535 1.510 436 HB2 ASP 53 2HB ASP 53 -14.198 4.499 1.336 437 HB3 ASP 53 3HB ASP 53 -14.182 5.723 2.603 438 H GLU 54 H GLU 54 -12.810 5.034 4.796 439 HA GLU 54 HA GLU 54 -11.618 7.574 5.183 440 HB2 GLU 54 2HB GLU 54 -13.277 5.867 6.654 441 HB3 GLU 54 3HB GLU 54 -11.819 6.027 7.623 442 HG2 GLU 54 2HG GLU 54 -13.567 8.258 6.616 443 HG3 GLU 54 3HG GLU 54 -13.417 7.695 8.280 444 H LYS 55 H LYS 55 -10.357 4.389 5.133 445 HA LYS 55 HA LYS 55 -7.915 5.205 6.535 446 HB2 LYS 55 2HB LYS 55 -9.056 2.533 5.759 447 HB3 LYS 55 3HB LYS 55 -7.367 2.702 6.218 448 HG2 LYS 55 2HG LYS 55 -8.383 2.086 8.198 449 HG3 LYS 55 3HG LYS 55 -8.292 3.843 8.338 450 HD2 LYS 55 2HD LYS 55 -10.531 4.088 8.266 451 HD3 LYS 55 3HD LYS 55 -10.730 2.825 7.049 452 HE2 LYS 55 2HE LYS 55 -11.800 2.149 9.107 453 HE3 LYS 55 3HE LYS 55 -10.399 1.124 8.802 454 HZ1 LYS 55 1HZ LYS 55 -9.408 1.819 10.657 455 HZ2 LYS 55 2HZ LYS 55 -10.920 2.417 11.120 456 HZ3 LYS 55 3HZ LYS 55 -9.793 3.443 10.386 457 H ARG 56 H ARG 56 -8.448 6.308 3.972 458 HA ARG 56 HA ARG 56 -7.347 5.064 1.785 459 HB2 ARG 56 2HB ARG 56 -6.546 7.504 1.218 460 HB3 ARG 56 3HB ARG 56 -8.259 7.111 1.263 461 HG2 ARG 56 2HG ARG 56 -7.345 7.907 3.869 462 HG3 ARG 56 3HG ARG 56 -6.941 9.130 2.663 463 HD2 ARG 56 2HD ARG 56 -9.500 8.463 1.972 464 HD3 ARG 56 3HD ARG 56 -9.543 8.317 3.728 465 HE ARG 56 HE ARG 56 -9.394 10.727 2.214 466 HH11 ARG 56 1HH1 ARG 56 -8.426 9.239 5.209 467 HH12 ARG 56 2HH1 ARG 56 -8.319 10.739 6.071 468 HH21 ARG 56 1HH2 ARG 56 -9.258 12.708 3.338 469 HH22 ARG 56 2HH2 ARG 56 -8.794 12.711 5.005 470 H LEU 57 H LEU 57 -5.522 7.419 3.747 471 HA LEU 57 HA LEU 57 -3.010 6.524 2.763 472 HB2 LEU 57 2HB LEU 57 -3.742 8.805 3.818 473 HB3 LEU 57 3HB LEU 57 -3.282 8.024 5.330 474 HG LEU 57 HG LEU 57 -1.340 8.085 3.060 475 HD11 LEU 57 1HD1 LEU 57 -1.273 10.309 5.016 476 HD12 LEU 57 2HD1 LEU 57 -2.449 10.413 3.705 477 HD13 LEU 57 3HD1 LEU 57 -0.731 10.253 3.338 478 HD21 LEU 57 1HD2 LEU 57 0.041 7.286 4.604 479 HD22 LEU 57 2HD2 LEU 57 -1.332 7.164 5.704 480 HD23 LEU 57 3HD2 LEU 57 -0.332 8.618 5.698 481 H LYS 58 H LYS 58 -4.906 5.825 5.635 482 HA LYS 58 HA LYS 58 -2.957 4.523 7.159 483 HB2 LYS 58 2HB LYS 58 -5.792 4.892 7.245 484 HB3 LYS 58 3HB LYS 58 -5.439 3.197 7.553 485 HG2 LYS 58 2HG LYS 58 -3.633 4.849 9.042 486 HG3 LYS 58 3HG LYS 58 -5.301 5.339 9.353 487 HD2 LYS 58 2HD LYS 58 -4.731 2.432 9.348 488 HD3 LYS 58 3HD LYS 58 -4.091 3.370 10.699 489 HE2 LYS 58 2HE LYS 58 -6.321 4.223 11.180 490 HE3 LYS 58 3HE LYS 58 -6.971 3.340 9.799 491 HZ1 LYS 58 1HZ LYS 58 -5.551 1.572 11.475 492 HZ2 LYS 58 2HZ LYS 58 -7.189 1.546 11.053 493 HZ3 LYS 58 3HZ LYS 58 -6.677 2.429 12.402 494 H ASP 59 H ASP 59 -4.707 3.500 4.350 495 HA ASP 59 HA ASP 59 -4.106 0.697 4.704 496 HB2 ASP 59 2HB ASP 59 -5.611 2.340 2.754 497 HB3 ASP 59 3HB ASP 59 -4.886 0.864 2.122 498 H TYR 60 H TYR 60 -2.570 3.445 3.357 499 HA TYR 60 HA TYR 60 -0.914 2.020 1.490 500 HB2 TYR 60 2HB TYR 60 -1.500 4.389 1.147 501 HB3 TYR 60 3HB TYR 60 -0.619 4.816 2.610 502 HD1 TYR 60 HD1 TYR 60 0.047 2.834 -0.498 503 HD2 TYR 60 HD2 TYR 60 1.444 5.764 2.252 504 HE1 TYR 60 HE1 TYR 60 2.106 3.084 -1.820 505 HE2 TYR 60 HE2 TYR 60 3.506 6.023 0.937 506 HH TYR 60 HH TYR 60 4.537 5.514 -0.991 507 H GLN 61 H GLN 61 -0.837 2.669 4.852 508 HA GLN 61 HA GLN 61 2.016 2.417 5.153 509 HB2 GLN 61 2HB GLN 61 0.693 3.766 6.723 510 HB3 GLN 61 3HB GLN 61 -0.187 2.327 7.220 511 HG2 GLN 61 2HG GLN 61 2.614 1.851 7.488 512 HG3 GLN 61 3HG GLN 61 2.197 3.366 8.287 513 HE21 GLN 61 1HE2 GLN 61 0.233 0.465 7.879 514 HE22 GLN 61 2HE2 GLN 61 0.060 0.126 9.564 515 H MET 62 H MET 62 -0.531 0.266 4.682 516 HA MET 62 HA MET 62 0.550 -1.920 6.220 517 HB2 MET 62 2HB MET 62 -1.493 -2.194 4.032 518 HB3 MET 62 3HB MET 62 -1.292 -3.178 5.476 519 HG2 MET 62 2HG MET 62 -2.204 -0.311 5.461 520 HG3 MET 62 3HG MET 62 -3.268 -1.712 5.555 521 HE1 MET 62 1HE MET 62 -3.622 -3.129 7.162 522 HE2 MET 62 2HE MET 62 -2.844 -3.307 8.735 523 HE3 MET 62 3HE MET 62 -4.141 -2.130 8.520 524 H SER 63 H SER 63 0.066 -1.352 2.729 525 HA SER 63 HA SER 63 1.115 -2.203 0.894 526 HB2 SER 63 2HB SER 63 3.593 -2.366 2.608 527 HB3 SER 63 3HB SER 63 3.484 -2.058 0.875 528 HG SER 63 HG SER 63 3.793 -0.222 2.504 529 H ALA 64 H ALA 64 -0.166 -4.095 2.641 530 HA ALA 64 HA ALA 64 0.685 -6.498 1.493 531 HB1 ALA 64 1HB ALA 64 2.607 -6.582 2.799 532 HB2 ALA 64 2HB ALA 64 1.789 -5.930 4.219 533 HB3 ALA 64 3HB ALA 64 1.465 -7.583 3.697 534 H GLY 65 H GLY 65 -1.760 -5.283 1.805 535 HA2 GLY 65 2HA GLY 65 -3.115 -7.059 3.741 536 HA3 GLY 65 3HA GLY 65 -3.679 -5.438 3.368 537 H ALA 66 H ALA 66 -4.147 -8.654 2.750 538 HA ALA 66 HA ALA 66 -4.762 -8.716 0.009 539 HB1 ALA 66 1HB ALA 66 -5.784 -10.794 0.411 540 HB2 ALA 66 2HB ALA 66 -4.490 -10.677 1.605 541 HB3 ALA 66 3HB ALA 66 -6.161 -10.379 2.084 542 H THR 67 H THR 67 -6.532 -8.174 -1.145 543 HA THR 67 HA THR 67 -8.839 -7.084 0.334 544 HB THR 67 HB THR 67 -8.789 -5.885 -2.220 545 HG1 THR 67 HG1 THR 67 -6.262 -5.845 -0.904 546 HG21 THR 67 1HG2 THR 67 -8.868 -3.885 -1.020 547 HG22 THR 67 2HG2 THR 67 -7.877 -4.521 0.292 548 HG23 THR 67 3HG2 THR 67 -9.546 -5.058 0.107 549 H PHE 68 H PHE 68 -10.858 -7.620 -0.375 550 HA PHE 68 HA PHE 68 -11.046 -9.316 -2.771 551 HB2 PHE 68 2HB PHE 68 -11.086 -10.660 -0.644 552 HB3 PHE 68 3HB PHE 68 -12.569 -9.817 -0.209 553 HD1 PHE 68 HD1 PHE 68 -11.179 -12.606 -1.887 554 HD2 PHE 68 HD2 PHE 68 -14.518 -9.967 -1.892 555 HE1 PHE 68 HE1 PHE 68 -12.483 -14.265 -3.152 556 HE2 PHE 68 HE2 PHE 68 -15.828 -11.621 -3.156 557 HZ PHE 68 HZ PHE 68 -14.812 -13.774 -3.787 558 H HIS 69 H HIS 69 -12.288 -8.309 -4.196 559 HA HIS 69 HA HIS 69 -14.302 -6.406 -3.313 560 HB2 HIS 69 2HB HIS 69 -13.303 -7.155 -6.067 561 HB3 HIS 69 3HB HIS 69 -14.537 -5.936 -5.761 562 HD1 HIS 69 HD1 HIS 69 -13.434 -3.765 -6.213 563 HD2 HIS 69 HD2 HIS 69 -11.006 -6.307 -3.999 564 HE1 HIS 69 HE1 HIS 69 -11.394 -2.413 -5.636 565 H MET 70 H MET 70 -16.494 -6.570 -3.712 566 HA MET 70 HA MET 70 -17.446 -9.160 -4.736 567 HB2 MET 70 2HB MET 70 -17.625 -9.168 -2.302 568 HB3 MET 70 3HB MET 70 -18.513 -7.651 -2.344 569 HG2 MET 70 2HG MET 70 -20.428 -8.716 -2.615 570 HG3 MET 70 3HG MET 70 -19.805 -9.571 -4.024 571 HE1 MET 70 1HE MET 70 -21.731 -9.998 -1.410 572 HE2 MET 70 2HE MET 70 -21.892 -11.499 -2.322 573 HE3 MET 70 3HE MET 70 -21.405 -11.544 -0.627 574 H VAL 71 H VAL 71 -19.006 -9.049 -6.235 575 HA VAL 71 HA VAL 71 -20.561 -6.573 -6.492 576 HB VAL 71 HB VAL 71 -20.329 -6.814 -9.013 577 HG11 VAL 71 1HG1 VAL 71 -17.980 -5.758 -8.957 578 HG12 VAL 71 2HG1 VAL 71 -19.284 -4.954 -8.081 579 HG13 VAL 71 3HG1 VAL 71 -18.106 -5.934 -7.207 580 HG21 VAL 71 1HG2 VAL 71 -17.690 -8.015 -8.788 581 HG22 VAL 71 2HG2 VAL 71 -18.984 -9.129 -8.345 582 HG23 VAL 71 3HG2 VAL 71 -18.992 -8.352 -9.929 583 H VAL 72 H VAL 72 -22.594 -7.207 -6.195 584 HA VAL 72 HA VAL 72 -23.460 -9.811 -7.228 585 HB VAL 72 HB VAL 72 -24.011 -9.515 -4.922 586 HG11 VAL 72 1HG1 VAL 72 -24.441 -6.792 -5.706 587 HG12 VAL 72 2HG1 VAL 72 -25.860 -7.402 -4.852 588 HG13 VAL 72 3HG1 VAL 72 -24.272 -7.473 -4.088 589 HG21 VAL 72 1HG2 VAL 72 -26.560 -8.963 -6.423 590 HG22 VAL 72 2HG2 VAL 72 -25.724 -10.515 -6.485 591 HG23 VAL 72 3HG2 VAL 72 -26.348 -9.910 -4.950 592 H ALA 73 H ALA 73 -24.112 -9.669 -9.287 593 HA ALA 73 HA ALA 73 -25.935 -7.467 -10.009 594 HB1 ALA 73 1HB ALA 73 -25.057 -7.386 -12.155 595 HB2 ALA 73 2HB ALA 73 -23.628 -7.661 -11.158 596 HB3 ALA 73 3HB ALA 73 -24.359 -9.002 -12.039 597 H LEU 74 H LEU 74 -27.910 -8.363 -9.696 598 HA LEU 74 HA LEU 74 -28.460 -10.933 -11.024 599 HB2 LEU 74 2HB LEU 74 -29.216 -9.833 -8.444 600 HB3 LEU 74 3HB LEU 74 -30.607 -10.400 -9.365 601 HG LEU 74 HG LEU 74 -29.828 -12.137 -7.875 602 HD11 LEU 74 1HD1 LEU 74 -30.648 -12.640 -10.232 603 HD12 LEU 74 2HD1 LEU 74 -29.754 -13.913 -9.403 604 HD13 LEU 74 3HD1 LEU 74 -28.956 -12.936 -10.635 605 HD21 LEU 74 1HD2 LEU 74 -27.301 -11.137 -8.423 606 HD22 LEU 74 2HD2 LEU 74 -27.314 -12.725 -9.190 607 HD23 LEU 74 3HD2 LEU 74 -27.682 -12.571 -7.471 608 H ARG 75 H ARG 75 -29.371 -7.591 -10.738 609 HA ARG 75 HA ARG 75 -31.821 -7.839 -12.212 610 HB2 ARG 75 2HB ARG 75 -30.315 -5.705 -10.893 611 HB3 ARG 75 3HB ARG 75 -31.086 -5.187 -12.387 612 HG2 ARG 75 2HG ARG 75 -33.225 -5.651 -11.586 613 HG3 ARG 75 3HG ARG 75 -32.614 -6.679 -10.288 614 HD2 ARG 75 2HD ARG 75 -31.589 -4.674 -9.251 615 HD3 ARG 75 3HD ARG 75 -32.333 -3.684 -10.506 616 HE ARG 75 HE ARG 75 -33.611 -4.781 -8.192 617 HH11 ARG 75 1HH1 ARG 75 -34.108 -3.742 -11.477 618 HH12 ARG 75 2HH1 ARG 75 -35.790 -3.394 -11.250 619 HH21 ARG 75 1HH2 ARG 75 -35.825 -4.327 -7.881 620 HH22 ARG 75 2HH2 ARG 75 -36.765 -3.726 -9.204 621 H ALA 76 H ALA 76 -28.681 -6.313 -12.959 622 HA ALA 76 HA ALA 76 -28.806 -7.286 -15.677 623 HB1 ALA 76 1HB ALA 76 -29.481 -5.448 -16.725 624 HB2 ALA 76 2HB ALA 76 -29.918 -4.787 -15.149 625 HB3 ALA 76 3HB ALA 76 -28.330 -4.447 -15.838 626 H GLY 77 H GLY 77 -26.828 -6.831 -16.886 627 HA2 GLY 77 2HA GLY 77 -24.569 -6.076 -16.989 628 HA3 GLY 77 3HA GLY 77 -24.570 -5.931 -15.238 629 H CYS 78 H CYS 78 -25.058 -8.467 -17.699 630 HA CYS 78 HA CYS 78 -23.768 -10.393 -15.929 631 HB2 CYS 78 2HB CYS 78 -25.908 -10.933 -17.142 632 HB3 CYS 78 3HB CYS 78 -24.996 -10.888 -18.645 633 HG CYS 78 HG CYS 78 -23.970 -13.257 -18.502 Start of MODEL 3 1 H MET 1 H MET 1 1.716 0.304 0.901 2 HA MET 1 HA MET 1 1.838 1.112 -1.669 3 HB2 MET 1 2HB MET 1 3.729 0.491 0.033 4 HB3 MET 1 3HB MET 1 3.733 -1.047 -0.820 5 HG2 MET 1 2HG MET 1 3.901 0.495 -2.937 6 HG3 MET 1 3HG MET 1 4.533 1.653 -1.768 7 HE1 MET 1 1HE MET 1 7.972 0.797 -2.979 8 HE2 MET 1 2HE MET 1 6.612 0.891 -4.099 9 HE3 MET 1 3HE MET 1 6.698 1.990 -2.721 10 H LEU 2 H LEU 2 2.228 -2.344 -0.870 11 HA LEU 2 HA LEU 2 1.135 -2.991 -3.519 12 HB2 LEU 2 2HB LEU 2 3.343 -3.865 -3.149 13 HB3 LEU 2 3HB LEU 2 2.845 -4.588 -1.621 14 HG LEU 2 HG LEU 2 1.451 -5.482 -4.087 15 HD11 LEU 2 1HD1 LEU 2 4.281 -5.497 -3.904 16 HD12 LEU 2 2HD1 LEU 2 3.252 -6.232 -5.133 17 HD13 LEU 2 3HD1 LEU 2 3.710 -7.154 -3.701 18 HD21 LEU 2 1HD2 LEU 2 0.626 -6.677 -2.353 19 HD22 LEU 2 2HD2 LEU 2 2.082 -6.480 -1.378 20 HD23 LEU 2 3HD2 LEU 2 2.042 -7.680 -2.671 21 H LEU 3 H LEU 3 -0.808 -3.893 -3.685 22 HA LEU 3 HA LEU 3 -1.889 -5.416 -1.429 23 HB2 LEU 3 2HB LEU 3 -3.872 -4.230 -1.290 24 HB3 LEU 3 3HB LEU 3 -2.658 -2.966 -1.474 25 HG LEU 3 HG LEU 3 -4.396 -4.014 -3.706 26 HD11 LEU 3 1HD1 LEU 3 -5.124 -1.424 -3.282 27 HD12 LEU 3 2HD1 LEU 3 -4.861 -1.999 -1.636 28 HD13 LEU 3 3HD1 LEU 3 -6.003 -2.833 -2.690 29 HD21 LEU 3 1HD2 LEU 3 -3.567 -1.652 -4.570 30 HD22 LEU 3 2HD2 LEU 3 -2.627 -3.121 -4.830 31 HD23 LEU 3 3HD2 LEU 3 -2.202 -2.022 -3.517 32 H LYS 4 H LYS 4 -3.422 -6.983 -1.988 33 HA LYS 4 HA LYS 4 -3.586 -7.548 -4.875 34 HB2 LYS 4 2HB LYS 4 -2.287 -9.230 -3.700 35 HB3 LYS 4 3HB LYS 4 -3.580 -9.455 -2.529 36 HG2 LYS 4 2HG LYS 4 -4.906 -10.616 -4.012 37 HG3 LYS 4 3HG LYS 4 -4.118 -9.915 -5.428 38 HD2 LYS 4 2HD LYS 4 -3.506 -12.260 -5.166 39 HD3 LYS 4 3HD LYS 4 -2.099 -11.217 -4.943 40 HE2 LYS 4 2HE LYS 4 -1.750 -12.121 -2.947 41 HE3 LYS 4 3HE LYS 4 -3.334 -11.559 -2.414 42 HZ1 LYS 4 1HZ LYS 4 -3.297 -13.967 -4.047 43 HZ2 LYS 4 2HZ LYS 4 -4.251 -13.583 -2.705 44 HZ3 LYS 4 3HZ LYS 4 -2.660 -14.115 -2.487 45 H VAL 5 H VAL 5 -5.529 -7.076 -5.655 46 HA VAL 5 HA VAL 5 -7.883 -7.401 -3.927 47 HB VAL 5 HB VAL 5 -9.072 -5.997 -5.564 48 HG11 VAL 5 1HG1 VAL 5 -7.522 -3.913 -5.217 49 HG12 VAL 5 2HG1 VAL 5 -8.295 -4.694 -3.837 50 HG13 VAL 5 3HG1 VAL 5 -6.601 -5.025 -4.205 51 HG21 VAL 5 1HG2 VAL 5 -8.281 -5.864 -7.638 52 HG22 VAL 5 2HG2 VAL 5 -7.001 -4.818 -7.023 53 HG23 VAL 5 3HG2 VAL 5 -6.734 -6.556 -7.152 54 H LYS 6 H LYS 6 -9.330 -8.952 -4.304 55 HA LYS 6 HA LYS 6 -9.311 -10.288 -6.927 56 HB2 LYS 6 2HB LYS 6 -9.689 -12.436 -5.804 57 HB3 LYS 6 3HB LYS 6 -8.163 -11.715 -5.309 58 HG2 LYS 6 2HG LYS 6 -9.401 -10.827 -3.285 59 HG3 LYS 6 3HG LYS 6 -10.722 -11.901 -3.750 60 HD2 LYS 6 2HD LYS 6 -7.884 -12.778 -3.217 61 HD3 LYS 6 3HD LYS 6 -9.215 -12.901 -2.064 62 HE2 LYS 6 2HE LYS 6 -9.684 -14.893 -2.932 63 HE3 LYS 6 3HE LYS 6 -10.163 -14.071 -4.416 64 HZ1 LYS 6 1HZ LYS 6 -8.481 -15.052 -5.436 65 HZ2 LYS 6 2HZ LYS 6 -7.980 -15.787 -3.997 66 HZ3 LYS 6 3HZ LYS 6 -7.383 -14.261 -4.419 67 H THR 7 H THR 7 -11.225 -10.237 -7.888 68 HA THR 7 HA THR 7 -13.581 -9.474 -6.361 69 HB THR 7 HB THR 7 -13.836 -10.032 -9.258 70 HG1 THR 7 HG1 THR 7 -12.727 -8.123 -9.806 71 HG21 THR 7 1HG2 THR 7 -14.789 -7.560 -8.895 72 HG22 THR 7 2HG2 THR 7 -14.891 -8.141 -7.233 73 HG23 THR 7 3HG2 THR 7 -15.729 -9.004 -8.521 74 H VAL 8 H VAL 8 -15.693 -10.570 -7.073 75 HA VAL 8 HA VAL 8 -15.540 -13.312 -6.354 76 HB VAL 8 HB VAL 8 -17.483 -11.828 -5.845 77 HG11 VAL 8 1HG1 VAL 8 -17.543 -10.795 -8.133 78 HG12 VAL 8 2HG1 VAL 8 -18.282 -12.289 -8.712 79 HG13 VAL 8 3HG1 VAL 8 -19.108 -11.306 -7.502 80 HG21 VAL 8 1HG2 VAL 8 -18.897 -13.913 -7.245 81 HG22 VAL 8 2HG2 VAL 8 -17.436 -14.545 -6.486 82 HG23 VAL 8 3HG2 VAL 8 -18.640 -13.700 -5.513 83 H SER 9 H SER 9 -15.059 -11.753 -9.285 84 HA SER 9 HA SER 9 -16.075 -13.897 -10.957 85 HB2 SER 9 2HB SER 9 -14.933 -11.190 -11.411 86 HB3 SER 9 3HB SER 9 -14.706 -12.377 -12.696 87 HG SER 9 HG SER 9 -16.649 -11.222 -12.970 88 H ASN 10 H ASN 10 -13.660 -13.960 -8.970 89 HA ASN 10 HA ASN 10 -11.753 -15.191 -8.802 90 HB2 ASN 10 2HB ASN 10 -13.246 -16.506 -10.744 91 HB3 ASN 10 3HB ASN 10 -11.667 -16.295 -11.496 92 HD21 ASN 10 1HD2 ASN 10 -13.404 -18.443 -9.903 93 HD22 ASN 10 2HD2 ASN 10 -12.177 -19.277 -9.018 94 H LYS 11 H LYS 11 -11.783 -12.480 -9.888 95 HA LYS 11 HA LYS 11 -9.400 -12.551 -11.612 96 HB2 LYS 11 2HB LYS 11 -11.470 -10.396 -11.174 97 HB3 LYS 11 3HB LYS 11 -9.987 -10.146 -12.086 98 HG2 LYS 11 2HG LYS 11 -10.671 -11.905 -13.654 99 HG3 LYS 11 3HG LYS 11 -12.175 -12.105 -12.753 100 HD2 LYS 11 2HD LYS 11 -12.581 -9.632 -13.178 101 HD3 LYS 11 3HD LYS 11 -11.253 -9.719 -14.338 102 HE2 LYS 11 2HE LYS 11 -12.627 -11.773 -15.245 103 HE3 LYS 11 3HE LYS 11 -13.966 -10.950 -14.447 104 HZ1 LYS 11 1HZ LYS 11 -12.845 -8.932 -15.780 105 HZ2 LYS 11 2HZ LYS 11 -14.100 -9.881 -16.401 106 HZ3 LYS 11 3HZ LYS 11 -12.498 -10.210 -16.834 107 H VAL 12 H VAL 12 -7.652 -12.549 -10.324 108 HA VAL 12 HA VAL 12 -7.579 -10.661 -8.068 109 HB VAL 12 HB VAL 12 -5.751 -13.010 -8.588 110 HG11 VAL 12 1HG1 VAL 12 -5.907 -12.103 -5.863 111 HG12 VAL 12 2HG1 VAL 12 -4.496 -12.269 -6.909 112 HG13 VAL 12 3HG1 VAL 12 -5.438 -10.779 -6.928 113 HG21 VAL 12 1HG2 VAL 12 -7.476 -14.255 -7.907 114 HG22 VAL 12 2HG2 VAL 12 -7.203 -13.556 -6.311 115 HG23 VAL 12 3HG2 VAL 12 -8.400 -12.844 -7.392 116 H ILE 13 H ILE 13 -6.295 -8.936 -8.160 117 HA ILE 13 HA ILE 13 -4.109 -8.911 -10.133 118 HB ILE 13 HB ILE 13 -5.972 -6.618 -9.504 119 HG12 ILE 13 2HG1 ILE 13 -7.011 -8.262 -10.967 120 HG13 ILE 13 3HG1 ILE 13 -6.604 -6.820 -11.891 121 HG21 ILE 13 1HG2 ILE 13 -4.675 -5.567 -11.452 122 HG22 ILE 13 2HG2 ILE 13 -3.894 -5.624 -9.872 123 HG23 ILE 13 3HG2 ILE 13 -3.451 -6.792 -11.117 124 HD11 ILE 13 1HD1 ILE 13 -4.388 -8.532 -12.074 125 HD12 ILE 13 2HD1 ILE 13 -5.823 -9.525 -12.331 126 HD13 ILE 13 3HD1 ILE 13 -5.543 -8.104 -13.337 127 H GLN 14 H GLN 14 -2.229 -8.724 -9.126 128 HA GLN 14 HA GLN 14 -2.128 -7.304 -6.555 129 HB2 GLN 14 2HB GLN 14 -1.356 -9.572 -6.374 130 HB3 GLN 14 3HB GLN 14 -0.298 -9.378 -7.766 131 HG2 GLN 14 2HG GLN 14 0.368 -7.399 -5.833 132 HG3 GLN 14 3HG GLN 14 0.293 -8.972 -5.039 133 HE21 GLN 14 1HE2 GLN 14 1.252 -8.098 -8.328 134 HE22 GLN 14 2HE2 GLN 14 2.855 -8.733 -8.219 135 H ILE 15 H ILE 15 -1.403 -5.292 -6.637 136 HA ILE 15 HA ILE 15 0.672 -4.625 -8.622 137 HB ILE 15 HB ILE 15 -0.228 -2.278 -8.525 138 HG12 ILE 15 2HG1 ILE 15 -2.629 -3.618 -7.265 139 HG13 ILE 15 3HG1 ILE 15 -1.487 -2.603 -6.391 140 HG21 ILE 15 1HG2 ILE 15 -2.529 -3.697 -9.573 141 HG22 ILE 15 2HG2 ILE 15 -1.307 -2.747 -10.416 142 HG23 ILE 15 3HG2 ILE 15 -1.007 -4.446 -10.054 143 HD11 ILE 15 1HD1 ILE 15 -2.078 -0.788 -8.075 144 HD12 ILE 15 2HD1 ILE 15 -3.441 -1.816 -8.517 145 HD13 ILE 15 3HD1 ILE 15 -3.293 -1.210 -6.868 146 H THR 16 H THR 16 2.243 -3.069 -8.002 147 HA THR 16 HA THR 16 2.534 -2.779 -5.082 148 HB THR 16 HB THR 16 4.237 -4.281 -5.882 149 HG1 THR 16 HG1 THR 16 6.013 -3.150 -5.128 150 HG21 THR 16 1HG2 THR 16 4.225 -2.541 -8.172 151 HG22 THR 16 2HG2 THR 16 4.940 -4.143 -7.993 152 HG23 THR 16 3HG2 THR 16 5.865 -2.710 -7.546 153 H SER 17 H SER 17 1.128 -0.816 -5.963 154 HA SER 17 HA SER 17 2.725 1.493 -5.623 155 HB2 SER 17 2HB SER 17 3.391 1.212 -7.912 156 HB3 SER 17 3HB SER 17 1.727 0.929 -8.421 157 HG SER 17 HG SER 17 2.456 3.344 -7.167 158 H LEU 18 H LEU 18 1.091 1.665 -3.999 159 HA LEU 18 HA LEU 18 -1.567 2.431 -4.997 160 HB2 LEU 18 2HB LEU 18 -0.722 0.812 -2.836 161 HB3 LEU 18 3HB LEU 18 -1.474 2.251 -2.151 162 HG LEU 18 HG LEU 18 -2.740 0.280 -4.052 163 HD11 LEU 18 1HD1 LEU 18 -2.948 0.808 -1.120 164 HD12 LEU 18 2HD1 LEU 18 -2.823 -0.726 -1.979 165 HD13 LEU 18 3HD1 LEU 18 -4.337 0.177 -2.005 166 HD21 LEU 18 1HD2 LEU 18 -3.582 2.983 -3.108 167 HD22 LEU 18 2HD2 LEU 18 -4.802 1.738 -3.379 168 HD23 LEU 18 3HD2 LEU 18 -3.748 2.244 -4.701 169 H THR 19 H THR 19 -2.594 4.303 -4.149 170 HA THR 19 HA THR 19 -0.769 6.492 -3.732 171 HB THR 19 HB THR 19 -3.650 7.007 -3.368 172 HG1 THR 19 HG1 THR 19 -2.604 5.746 -5.668 173 HG21 THR 19 1HG2 THR 19 -1.297 8.352 -4.279 174 HG22 THR 19 2HG2 THR 19 -2.892 9.022 -3.936 175 HG23 THR 19 3HG2 THR 19 -2.521 8.409 -5.547 176 H ASP 20 H ASP 20 -1.644 8.211 -2.043 177 HA ASP 20 HA ASP 20 -2.073 6.806 0.512 178 HB2 ASP 20 2HB ASP 20 -0.733 8.979 1.343 179 HB3 ASP 20 3HB ASP 20 0.070 7.473 0.906 180 H ASP 21 H ASP 21 -3.385 8.883 -1.653 181 HA ASP 21 HA ASP 21 -4.591 10.686 0.298 182 HB2 ASP 21 2HB ASP 21 -4.983 10.575 -2.700 183 HB3 ASP 21 3HB ASP 21 -5.511 11.864 -1.621 184 H ASN 22 H ASN 22 -5.612 8.299 -2.132 185 HA ASN 22 HA ASN 22 -8.171 8.063 -0.688 186 HB2 ASN 22 2HB ASN 22 -7.536 8.170 -3.582 187 HB3 ASN 22 3HB ASN 22 -8.772 7.013 -3.099 188 HD21 ASN 22 1HD2 ASN 22 -8.003 10.177 -1.736 189 HD22 ASN 22 2HD2 ASN 22 -9.545 10.888 -2.059 190 H THR 23 H THR 23 -5.896 6.240 -2.735 191 HA THR 23 HA THR 23 -5.203 4.072 -2.684 192 HB THR 23 HB THR 23 -6.228 4.186 0.158 193 HG1 THR 23 HG1 THR 23 -3.796 4.802 -1.105 194 HG21 THR 23 1HG2 THR 23 -5.190 1.980 -1.433 195 HG22 THR 23 2HG2 THR 23 -5.972 1.962 0.148 196 HG23 THR 23 3HG2 THR 23 -4.240 2.270 0.024 197 H ILE 24 H ILE 24 -7.835 3.502 -0.413 198 HA ILE 24 HA ILE 24 -8.867 1.313 -1.823 199 HB ILE 24 HB ILE 24 -10.249 3.067 0.210 200 HG12 ILE 24 2HG1 ILE 24 -9.676 0.755 1.490 201 HG13 ILE 24 3HG1 ILE 24 -8.320 0.825 0.370 202 HG21 ILE 24 1HG2 ILE 24 -11.219 0.878 -1.391 203 HG22 ILE 24 2HG2 ILE 24 -11.279 0.478 0.325 204 HG23 ILE 24 3HG2 ILE 24 -12.093 1.924 -0.272 205 HD11 ILE 24 1HD1 ILE 24 -8.763 3.370 1.658 206 HD12 ILE 24 2HD1 ILE 24 -8.511 2.074 2.827 207 HD13 ILE 24 3HD1 ILE 24 -7.306 2.381 1.576 208 H ALA 25 H ALA 25 -10.405 4.506 -1.387 209 HA ALA 25 HA ALA 25 -12.465 4.171 -3.208 210 HB1 ALA 25 1HB ALA 25 -11.667 6.178 -1.550 211 HB2 ALA 25 2HB ALA 25 -11.370 6.886 -3.138 212 HB3 ALA 25 3HB ALA 25 -12.979 6.298 -2.722 213 H GLU 26 H GLU 26 -9.135 5.176 -3.751 214 HA GLU 26 HA GLU 26 -9.480 5.958 -6.458 215 HB2 GLU 26 2HB GLU 26 -7.557 6.582 -4.926 216 HB3 GLU 26 3HB GLU 26 -6.922 4.966 -5.204 217 HG2 GLU 26 2HG GLU 26 -5.783 6.007 -6.835 218 HG3 GLU 26 3HG GLU 26 -7.271 5.739 -7.741 219 H LEU 27 H LEU 27 -8.504 2.939 -4.899 220 HA LEU 27 HA LEU 27 -7.875 1.543 -7.278 221 HB2 LEU 27 2HB LEU 27 -7.999 0.999 -4.468 222 HB3 LEU 27 3HB LEU 27 -8.782 -0.306 -5.356 223 HG LEU 27 HG LEU 27 -6.366 -0.681 -4.839 224 HD11 LEU 27 1HD1 LEU 27 -6.527 -0.584 -7.790 225 HD12 LEU 27 2HD1 LEU 27 -7.790 -1.480 -6.948 226 HD13 LEU 27 3HD1 LEU 27 -6.096 -1.916 -6.717 227 HD21 LEU 27 1HD2 LEU 27 -5.812 1.782 -5.311 228 HD22 LEU 27 2HD2 LEU 27 -5.775 1.304 -7.008 229 HD23 LEU 27 3HD2 LEU 27 -4.670 0.554 -5.856 230 H LYS 28 H LYS 28 -10.790 1.544 -5.236 231 HA LYS 28 HA LYS 28 -12.279 -0.209 -6.876 232 HB2 LYS 28 2HB LYS 28 -14.213 0.511 -5.586 233 HB3 LYS 28 3HB LYS 28 -12.840 0.244 -4.520 234 HG2 LYS 28 2HG LYS 28 -12.423 2.699 -4.554 235 HG3 LYS 28 3HG LYS 28 -13.926 2.888 -5.460 236 HD2 LYS 28 2HD LYS 28 -13.654 1.672 -2.710 237 HD3 LYS 28 3HD LYS 28 -14.273 3.285 -3.073 238 HE2 LYS 28 2HE LYS 28 -15.486 0.640 -3.861 239 HE3 LYS 28 3HE LYS 28 -16.132 1.808 -2.709 240 HZ1 LYS 28 1HZ LYS 28 -17.336 2.199 -4.633 241 HZ2 LYS 28 2HZ LYS 28 -15.999 2.002 -5.650 242 HZ3 LYS 28 3HZ LYS 28 -16.139 3.394 -4.698 243 H GLY 29 H GLY 29 -11.980 3.310 -6.777 244 HA2 GLY 29 2HA GLY 29 -14.042 3.854 -8.648 245 HA3 GLY 29 3HA GLY 29 -12.740 4.946 -8.201 246 H LYS 30 H LYS 30 -10.626 3.121 -8.998 247 HA LYS 30 HA LYS 30 -10.497 3.844 -11.764 248 HB2 LYS 30 2HB LYS 30 -8.684 2.453 -9.836 249 HB3 LYS 30 3HB LYS 30 -8.354 2.321 -11.558 250 HG2 LYS 30 2HG LYS 30 -8.866 5.057 -10.851 251 HG3 LYS 30 3HG LYS 30 -7.597 4.378 -9.828 252 HD2 LYS 30 2HD LYS 30 -6.239 3.857 -11.668 253 HD3 LYS 30 3HD LYS 30 -7.575 4.019 -12.810 254 HE2 LYS 30 2HE LYS 30 -7.543 6.350 -12.696 255 HE3 LYS 30 3HE LYS 30 -6.636 6.356 -11.184 256 HZ1 LYS 30 1HZ LYS 30 -5.670 5.949 -13.927 257 HZ2 LYS 30 2HZ LYS 30 -4.832 5.222 -12.651 258 HZ3 LYS 30 3HZ LYS 30 -5.020 6.903 -12.690 259 H LEU 31 H LEU 31 -11.197 0.922 -9.971 260 HA LEU 31 HA LEU 31 -10.969 -0.884 -12.150 261 HB2 LEU 31 2HB LEU 31 -11.227 -1.177 -9.486 262 HB3 LEU 31 3HB LEU 31 -12.884 -1.505 -9.990 263 HG LEU 31 HG LEU 31 -10.472 -2.973 -11.049 264 HD11 LEU 31 1HD1 LEU 31 -11.484 -4.842 -9.612 265 HD12 LEU 31 2HD1 LEU 31 -12.292 -3.542 -8.737 266 HD13 LEU 31 3HD1 LEU 31 -10.531 -3.596 -8.806 267 HD21 LEU 31 1HD2 LEU 31 -13.373 -3.034 -11.585 268 HD22 LEU 31 2HD2 LEU 31 -12.578 -4.600 -11.420 269 HD23 LEU 31 3HD2 LEU 31 -12.013 -3.447 -12.630 270 H GLU 32 H GLU 32 -13.693 0.876 -10.724 271 HA GLU 32 HA GLU 32 -15.678 -0.261 -12.397 272 HB2 GLU 32 2HB GLU 32 -17.077 1.651 -11.645 273 HB3 GLU 32 3HB GLU 32 -16.318 0.781 -10.320 274 HG2 GLU 32 2HG GLU 32 -14.581 2.518 -10.204 275 HG3 GLU 32 3HG GLU 32 -15.410 3.404 -11.483 276 H GLU 33 H GLU 33 -13.727 2.681 -12.608 277 HA GLU 33 HA GLU 33 -14.996 3.712 -14.924 278 HB2 GLU 33 2HB GLU 33 -13.281 4.764 -13.153 279 HB3 GLU 33 3HB GLU 33 -12.138 4.348 -14.422 280 HG2 GLU 33 2HG GLU 33 -14.488 5.687 -15.462 281 HG3 GLU 33 3HG GLU 33 -13.643 6.651 -14.253 282 H SER 34 H SER 34 -12.297 1.529 -14.403 283 HA SER 34 HA SER 34 -11.275 1.531 -17.027 284 HB2 SER 34 2HB SER 34 -10.036 -0.404 -16.395 285 HB3 SER 34 3HB SER 34 -10.167 0.586 -14.941 286 HG SER 34 HG SER 34 -10.757 -1.370 -14.242 287 H GLU 35 H GLU 35 -13.732 -0.468 -15.448 288 HA GLU 35 HA GLU 35 -14.181 -2.064 -17.802 289 HB2 GLU 35 2HB GLU 35 -15.450 -1.885 -15.090 290 HB3 GLU 35 3HB GLU 35 -16.250 -2.774 -16.379 291 HG2 GLU 35 2HG GLU 35 -13.431 -3.308 -15.484 292 HG3 GLU 35 3HG GLU 35 -14.842 -4.158 -14.857 293 H GLY 36 H GLY 36 -15.034 1.029 -16.932 294 HA2 GLY 36 2HA GLY 36 -16.282 2.481 -18.307 295 HA3 GLY 36 3HA GLY 36 -17.107 1.087 -18.991 296 H ILE 37 H ILE 37 -18.018 -0.177 -16.714 297 HA ILE 37 HA ILE 37 -19.624 1.827 -15.300 298 HB ILE 37 HB ILE 37 -21.624 0.280 -15.559 299 HG12 ILE 37 2HG1 ILE 37 -20.623 -0.675 -18.147 300 HG13 ILE 37 3HG1 ILE 37 -19.797 -1.386 -16.764 301 HG21 ILE 37 1HG2 ILE 37 -21.196 2.483 -16.756 302 HG22 ILE 37 2HG2 ILE 37 -20.737 1.509 -18.152 303 HG23 ILE 37 3HG2 ILE 37 -22.369 1.391 -17.493 304 HD11 ILE 37 1HD1 ILE 37 -22.782 -1.360 -17.126 305 HD12 ILE 37 2HD1 ILE 37 -21.727 -2.702 -17.569 306 HD13 ILE 37 3HD1 ILE 37 -21.864 -2.208 -15.882 307 HA PRO 38 HA PRO 38 -18.886 -0.632 -11.738 308 HB2 PRO 38 2HB PRO 38 -21.149 -0.183 -10.308 309 HB3 PRO 38 3HB PRO 38 -19.890 1.039 -10.523 310 HG2 PRO 38 2HG PRO 38 -22.486 0.717 -11.979 311 HG3 PRO 38 3HG PRO 38 -21.725 2.195 -11.362 312 HD2 PRO 38 2HD PRO 38 -21.604 1.474 -13.969 313 HD3 PRO 38 3HD PRO 38 -20.295 2.361 -13.162 314 H GLY 39 H GLY 39 -19.115 -2.716 -11.137 315 HA2 GLY 39 2HA GLY 39 -20.645 -4.518 -12.620 316 HA3 GLY 39 3HA GLY 39 -19.908 -4.868 -11.063 317 H ASN 40 H ASN 40 -21.281 -3.176 -9.389 318 HA ASN 40 HA ASN 40 -24.029 -3.020 -9.645 319 HB2 ASN 40 2HB ASN 40 -23.169 -5.719 -9.321 320 HB3 ASN 40 3HB ASN 40 -23.996 -5.230 -7.844 321 HD21 ASN 40 1HD2 ASN 40 -26.168 -4.829 -7.882 322 HD22 ASN 40 2HD2 ASN 40 -27.170 -5.173 -9.247 323 H MET 41 H MET 41 -22.143 -4.522 -7.022 324 HA MET 41 HA MET 41 -22.962 -2.310 -5.276 325 HB2 MET 41 2HB MET 41 -22.420 -5.178 -4.874 326 HB3 MET 41 3HB MET 41 -21.797 -4.125 -3.611 327 HG2 MET 41 2HG MET 41 -24.067 -3.147 -3.386 328 HG3 MET 41 3HG MET 41 -24.648 -4.345 -4.541 329 HE1 MET 41 1HE MET 41 -26.380 -4.549 -2.504 330 HE2 MET 41 2HE MET 41 -26.206 -6.118 -3.290 331 HE3 MET 41 3HE MET 41 -26.224 -6.011 -1.530 332 H ILE 42 H ILE 42 -20.143 -4.074 -6.435 333 HA ILE 42 HA ILE 42 -17.902 -3.677 -6.271 334 HB ILE 42 HB ILE 42 -18.576 -0.753 -6.116 335 HG12 ILE 42 2HG1 ILE 42 -18.420 -1.237 -8.791 336 HG13 ILE 42 3HG1 ILE 42 -19.242 -2.692 -8.238 337 HG21 ILE 42 1HG2 ILE 42 -16.189 -1.946 -6.189 338 HG22 ILE 42 2HG2 ILE 42 -16.512 -1.863 -7.920 339 HG23 ILE 42 3HG2 ILE 42 -16.501 -0.388 -6.955 340 HD11 ILE 42 1HD1 ILE 42 -20.603 -0.709 -6.934 341 HD12 ILE 42 2HD1 ILE 42 -20.225 0.031 -8.490 342 HD13 ILE 42 3HD1 ILE 42 -21.105 -1.496 -8.430 343 H ARG 43 H ARG 43 -18.694 -4.443 -3.879 344 HA ARG 43 HA ARG 43 -17.426 -2.546 -2.013 345 HB2 ARG 43 2HB ARG 43 -19.861 -4.245 -1.730 346 HB3 ARG 43 3HB ARG 43 -18.860 -3.987 -0.308 347 HG2 ARG 43 2HG ARG 43 -19.178 -1.631 -0.414 348 HG3 ARG 43 3HG ARG 43 -19.956 -1.752 -1.994 349 HD2 ARG 43 2HD ARG 43 -21.931 -2.012 -1.017 350 HD3 ARG 43 3HD ARG 43 -21.341 -3.448 -0.181 351 HE ARG 43 HE ARG 43 -20.469 -1.106 1.144 352 HH11 ARG 43 1HH1 ARG 43 -23.299 -3.063 0.614 353 HH12 ARG 43 2HH1 ARG 43 -24.049 -2.616 2.110 354 HH21 ARG 43 1HH2 ARG 43 -21.446 -0.509 3.117 355 HH22 ARG 43 2HH2 ARG 43 -22.994 -1.162 3.533 356 H LEU 44 H LEU 44 -15.586 -3.239 -1.162 357 HA LEU 44 HA LEU 44 -14.995 -6.117 -1.241 358 HB2 LEU 44 2HB LEU 44 -12.638 -5.459 -1.090 359 HB3 LEU 44 3HB LEU 44 -13.441 -4.772 -2.500 360 HG LEU 44 HG LEU 44 -13.694 -2.768 -0.646 361 HD11 LEU 44 1HD1 LEU 44 -10.846 -3.216 -0.340 362 HD12 LEU 44 2HD1 LEU 44 -11.809 -4.454 0.465 363 HD13 LEU 44 3HD1 LEU 44 -12.055 -2.753 0.858 364 HD21 LEU 44 1HD2 LEU 44 -12.313 -1.557 -2.061 365 HD22 LEU 44 2HD2 LEU 44 -12.907 -2.846 -3.109 366 HD23 LEU 44 3HD2 LEU 44 -11.287 -2.947 -2.417 367 H VAL 45 H VAL 45 -13.841 -7.063 0.551 368 HA VAL 45 HA VAL 45 -14.436 -5.719 3.107 369 HB VAL 45 HB VAL 45 -14.218 -8.697 2.659 370 HG11 VAL 45 1HG1 VAL 45 -15.505 -7.307 4.983 371 HG12 VAL 45 2HG1 VAL 45 -14.920 -8.968 4.866 372 HG13 VAL 45 3HG1 VAL 45 -13.772 -7.632 4.956 373 HG21 VAL 45 1HG2 VAL 45 -16.493 -6.832 2.367 374 HG22 VAL 45 2HG2 VAL 45 -16.185 -8.379 1.578 375 HG23 VAL 45 3HG2 VAL 45 -16.811 -8.339 3.227 376 H TYR 46 H TYR 46 -12.695 -5.050 4.156 377 HA TYR 46 HA TYR 46 -10.115 -6.328 3.613 378 HB2 TYR 46 2HB TYR 46 -10.793 -3.680 3.712 379 HB3 TYR 46 3HB TYR 46 -10.150 -3.939 5.330 380 HD1 TYR 46 HD1 TYR 46 -8.019 -5.909 4.808 381 HD2 TYR 46 HD2 TYR 46 -9.151 -2.444 2.614 382 HE1 TYR 46 HE1 TYR 46 -5.729 -5.725 3.930 383 HE2 TYR 46 HE2 TYR 46 -6.864 -2.251 1.729 384 HH TYR 46 HH TYR 46 -4.667 -2.945 2.138 385 H GLN 47 H GLN 47 -9.469 -7.844 4.977 386 HA GLN 47 HA GLN 47 -9.165 -9.077 6.865 387 HB2 GLN 47 2HB GLN 47 -8.368 -6.514 7.434 388 HB3 GLN 47 3HB GLN 47 -9.500 -6.844 8.739 389 HG2 GLN 47 2HG GLN 47 -7.739 -7.740 9.768 390 HG3 GLN 47 3HG GLN 47 -8.026 -9.126 8.717 391 HE21 GLN 47 1HE2 GLN 47 -6.375 -9.798 7.555 392 HE22 GLN 47 2HE2 GLN 47 -4.972 -8.875 7.149 393 H GLY 48 H GLY 48 -11.856 -8.796 5.909 394 HA2 GLY 48 2HA GLY 48 -13.893 -9.638 6.617 395 HA3 GLY 48 3HA GLY 48 -13.236 -9.758 8.243 396 H LYS 49 H LYS 49 -12.715 -6.687 7.027 397 HA LYS 49 HA LYS 49 -15.120 -5.678 8.399 398 HB2 LYS 49 2HB LYS 49 -12.350 -5.081 8.777 399 HB3 LYS 49 3HB LYS 49 -13.156 -3.634 8.185 400 HG2 LYS 49 2HG LYS 49 -13.180 -3.612 10.577 401 HG3 LYS 49 3HG LYS 49 -14.826 -3.880 9.998 402 HD2 LYS 49 2HD LYS 49 -14.379 -5.358 11.854 403 HD3 LYS 49 3HD LYS 49 -14.519 -6.308 10.373 404 HE2 LYS 49 2HE LYS 49 -12.167 -6.591 10.233 405 HE3 LYS 49 3HE LYS 49 -11.879 -5.383 11.484 406 HZ1 LYS 49 1HZ LYS 49 -13.557 -7.487 12.419 407 HZ2 LYS 49 2HZ LYS 49 -12.102 -6.910 13.060 408 HZ3 LYS 49 3HZ LYS 49 -12.083 -8.090 11.848 409 H GLN 50 H GLN 50 -15.891 -3.544 7.627 410 HA GLN 50 HA GLN 50 -15.508 -3.276 4.718 411 HB2 GLN 50 2HB GLN 50 -18.006 -2.858 6.365 412 HB3 GLN 50 3HB GLN 50 -17.858 -2.402 4.673 413 HG2 GLN 50 2HG GLN 50 -18.199 -4.483 3.970 414 HG3 GLN 50 3HG GLN 50 -17.089 -5.159 5.160 415 HE21 GLN 50 1HE2 GLN 50 -20.135 -5.326 4.141 416 HE22 GLN 50 2HE2 GLN 50 -20.944 -5.745 5.609 417 H LEU 51 H LEU 51 -16.348 -1.012 3.980 418 HA LEU 51 HA LEU 51 -15.913 1.218 3.894 419 HB2 LEU 51 2HB LEU 51 -16.048 1.327 6.878 420 HB3 LEU 51 3HB LEU 51 -16.612 2.504 5.693 421 HG LEU 51 HG LEU 51 -18.188 0.280 5.212 422 HD11 LEU 51 1HD1 LEU 51 -17.426 0.430 8.079 423 HD12 LEU 51 2HD1 LEU 51 -17.825 -0.970 7.085 424 HD13 LEU 51 3HD1 LEU 51 -19.108 0.086 7.677 425 HD21 LEU 51 1HD2 LEU 51 -19.141 2.400 5.086 426 HD22 LEU 51 2HD2 LEU 51 -18.588 2.852 6.699 427 HD23 LEU 51 3HD2 LEU 51 -19.904 1.692 6.510 428 H GLU 52 H GLU 52 -13.796 1.182 3.199 429 HA GLU 52 HA GLU 52 -11.764 1.546 5.303 430 HB2 GLU 52 2HB GLU 52 -11.359 0.297 2.579 431 HB3 GLU 52 3HB GLU 52 -10.119 0.529 3.804 432 HG2 GLU 52 2HG GLU 52 -12.510 -1.001 4.616 433 HG3 GLU 52 3HG GLU 52 -11.427 -1.770 3.457 434 H ASP 53 H ASP 53 -13.472 3.071 2.958 435 HA ASP 53 HA ASP 53 -11.650 4.544 1.471 436 HB2 ASP 53 2HB ASP 53 -14.311 4.466 1.516 437 HB3 ASP 53 3HB ASP 53 -14.092 5.928 2.474 438 H GLU 54 H GLU 54 -12.843 5.083 4.745 439 HA GLU 54 HA GLU 54 -11.673 7.637 5.100 440 HB2 GLU 54 2HB GLU 54 -13.323 5.937 6.589 441 HB3 GLU 54 3HB GLU 54 -11.870 6.124 7.561 442 HG2 GLU 54 2HG GLU 54 -13.290 7.827 8.277 443 HG3 GLU 54 3HG GLU 54 -12.140 8.625 7.205 444 H LYS 55 H LYS 55 -10.383 4.464 5.099 445 HA LYS 55 HA LYS 55 -7.954 5.321 6.500 446 HB2 LYS 55 2HB LYS 55 -9.068 2.628 5.755 447 HB3 LYS 55 3HB LYS 55 -7.383 2.819 6.220 448 HG2 LYS 55 2HG LYS 55 -8.402 2.221 8.203 449 HG3 LYS 55 3HG LYS 55 -8.328 3.981 8.320 450 HD2 LYS 55 2HD LYS 55 -10.574 4.213 8.189 451 HD3 LYS 55 3HD LYS 55 -10.750 2.879 7.046 452 HE2 LYS 55 2HE LYS 55 -11.349 1.504 8.684 453 HE3 LYS 55 3HE LYS 55 -9.871 1.864 9.574 454 HZ1 LYS 55 1HZ LYS 55 -11.652 2.456 10.970 455 HZ2 LYS 55 2HZ LYS 55 -12.473 3.269 9.735 456 HZ3 LYS 55 3HZ LYS 55 -11.048 3.919 10.373 457 H ARG 56 H ARG 56 -8.485 6.386 3.921 458 HA ARG 56 HA ARG 56 -7.369 5.126 1.753 459 HB2 ARG 56 2HB ARG 56 -6.579 7.558 1.156 460 HB3 ARG 56 3HB ARG 56 -8.292 7.166 1.215 461 HG2 ARG 56 2HG ARG 56 -7.395 7.984 3.810 462 HG3 ARG 56 3HG ARG 56 -6.939 9.188 2.602 463 HD2 ARG 56 2HD ARG 56 -9.606 8.292 2.090 464 HD3 ARG 56 3HD ARG 56 -9.467 8.768 3.782 465 HE ARG 56 HE ARG 56 -9.466 10.493 1.516 466 HH11 ARG 56 1HH1 ARG 56 -8.171 10.096 4.723 467 HH12 ARG 56 2HH1 ARG 56 -7.955 11.795 4.987 468 HH21 ARG 56 1HH2 ARG 56 -9.187 12.732 1.852 469 HH22 ARG 56 2HH2 ARG 56 -8.535 13.293 3.354 470 H LEU 57 H LEU 57 -5.560 7.500 3.706 471 HA LEU 57 HA LEU 57 -3.041 6.612 2.736 472 HB2 LEU 57 2HB LEU 57 -3.782 8.894 3.775 473 HB3 LEU 57 3HB LEU 57 -3.334 8.122 5.295 474 HG LEU 57 HG LEU 57 -1.375 8.184 3.038 475 HD11 LEU 57 1HD1 LEU 57 -0.514 10.327 4.013 476 HD12 LEU 57 2HD1 LEU 57 -2.041 10.467 4.883 477 HD13 LEU 57 3HD1 LEU 57 -2.028 10.466 3.120 478 HD21 LEU 57 1HD2 LEU 57 -0.142 8.683 5.465 479 HD22 LEU 57 2HD2 LEU 57 -0.217 7.134 4.624 480 HD23 LEU 57 3HD2 LEU 57 -1.412 7.525 5.861 481 H LYS 58 H LYS 58 -4.944 5.917 5.604 482 HA LYS 58 HA LYS 58 -2.996 4.629 7.141 483 HB2 LYS 58 2HB LYS 58 -5.831 4.990 7.217 484 HB3 LYS 58 3HB LYS 58 -5.477 3.295 7.525 485 HG2 LYS 58 2HG LYS 58 -3.671 4.919 9.027 486 HG3 LYS 58 3HG LYS 58 -5.327 5.455 9.317 487 HD2 LYS 58 2HD LYS 58 -5.993 3.287 10.028 488 HD3 LYS 58 3HD LYS 58 -4.484 2.568 9.464 489 HE2 LYS 58 2HE LYS 58 -4.224 4.743 11.439 490 HE3 LYS 58 3HE LYS 58 -4.958 3.252 12.028 491 HZ1 LYS 58 1HZ LYS 58 -2.959 2.128 10.925 492 HZ2 LYS 58 2HZ LYS 58 -2.705 2.939 12.387 493 HZ3 LYS 58 3HZ LYS 58 -2.252 3.665 10.928 494 H ASP 59 H ASP 59 -4.732 3.587 4.330 495 HA ASP 59 HA ASP 59 -4.118 0.788 4.697 496 HB2 ASP 59 2HB ASP 59 -5.666 2.411 2.785 497 HB3 ASP 59 3HB ASP 59 -4.878 0.998 2.087 498 H TYR 60 H TYR 60 -2.592 3.538 3.343 499 HA TYR 60 HA TYR 60 -0.918 2.105 1.495 500 HB2 TYR 60 2HB TYR 60 -1.529 4.463 1.117 501 HB3 TYR 60 3HB TYR 60 -0.655 4.920 2.574 502 HD1 TYR 60 HD1 TYR 60 1.354 5.952 2.151 503 HD2 TYR 60 HD2 TYR 60 0.079 2.834 -0.449 504 HE1 TYR 60 HE1 TYR 60 3.417 6.213 0.836 505 HE2 TYR 60 HE2 TYR 60 2.139 3.086 -1.770 506 HH TYR 60 HH TYR 60 3.832 5.097 -2.172 507 H GLN 61 H GLN 61 -0.864 2.794 4.847 508 HA GLN 61 HA GLN 61 1.992 2.582 5.163 509 HB2 GLN 61 2HB GLN 61 0.647 3.938 6.708 510 HB3 GLN 61 3HB GLN 61 -0.219 2.497 7.223 511 HG2 GLN 61 2HG GLN 61 2.586 2.058 7.507 512 HG3 GLN 61 3HG GLN 61 2.149 3.579 8.283 513 HE21 GLN 61 1HE2 GLN 61 0.219 0.651 7.911 514 HE22 GLN 61 2HE2 GLN 61 0.045 0.334 9.600 515 H MET 62 H MET 62 -0.532 0.397 4.715 516 HA MET 62 HA MET 62 0.569 -1.756 6.286 517 HB2 MET 62 2HB MET 62 -1.466 -2.085 4.099 518 HB3 MET 62 3HB MET 62 -1.259 -3.042 5.560 519 HG2 MET 62 2HG MET 62 -2.201 -0.185 5.494 520 HG3 MET 62 3HG MET 62 -3.250 -1.596 5.612 521 HE1 MET 62 1HE MET 62 -4.367 -0.550 7.567 522 HE2 MET 62 2HE MET 62 -4.179 -2.232 8.062 523 HE3 MET 62 3HE MET 62 -3.851 -0.934 9.210 524 H SER 63 H SER 63 0.083 -1.245 2.787 525 HA SER 63 HA SER 63 1.143 -2.113 0.966 526 HB2 SER 63 2HB SER 63 3.621 -2.216 2.685 527 HB3 SER 63 3HB SER 63 3.511 -1.941 0.947 528 HG SER 63 HG SER 63 3.692 -0.104 2.716 529 H ALA 64 H ALA 64 -0.117 -3.992 2.741 530 HA ALA 64 HA ALA 64 0.774 -6.403 1.634 531 HB1 ALA 64 1HB ALA 64 2.185 -7.348 3.109 532 HB2 ALA 64 2HB ALA 64 2.520 -5.678 3.565 533 HB3 ALA 64 3HB ALA 64 1.374 -6.634 4.503 534 H GLY 65 H GLY 65 -1.689 -5.212 1.908 535 HA2 GLY 65 2HA GLY 65 -3.039 -6.992 3.844 536 HA3 GLY 65 3HA GLY 65 -3.611 -5.372 3.477 537 H ALA 66 H ALA 66 -4.047 -8.592 2.835 538 HA ALA 66 HA ALA 66 -4.661 -8.636 0.093 539 HB1 ALA 66 1HB ALA 66 -6.368 -10.454 1.429 540 HB2 ALA 66 2HB ALA 66 -4.863 -10.791 0.574 541 HB3 ALA 66 3HB ALA 66 -4.834 -10.427 2.299 542 H THR 67 H THR 67 -6.451 -8.130 -1.055 543 HA THR 67 HA THR 67 -8.758 -7.056 0.435 544 HB THR 67 HB THR 67 -8.704 -5.890 -2.151 545 HG1 THR 67 HG1 THR 67 -6.286 -5.379 -0.746 546 HG21 THR 67 1HG2 THR 67 -8.021 -4.618 0.500 547 HG22 THR 67 2HG2 THR 67 -9.663 -4.974 -0.034 548 HG23 THR 67 3HG2 THR 67 -8.675 -3.821 -0.930 549 H PHE 68 H PHE 68 -10.778 -7.614 -0.256 550 HA PHE 68 HA PHE 68 -10.962 -9.341 -2.631 551 HB2 PHE 68 2HB PHE 68 -11.052 -10.465 -0.251 552 HB3 PHE 68 3HB PHE 68 -12.707 -9.863 -0.256 553 HD1 PHE 68 HD1 PHE 68 -10.956 -12.699 -0.718 554 HD2 PHE 68 HD2 PHE 68 -13.753 -10.278 -2.823 555 HE1 PHE 68 HE1 PHE 68 -11.657 -14.657 -2.033 556 HE2 PHE 68 HE2 PHE 68 -14.459 -12.232 -4.140 557 HZ PHE 68 HZ PHE 68 -13.412 -14.426 -3.745 558 H HIS 69 H HIS 69 -12.195 -8.345 -4.072 559 HA HIS 69 HA HIS 69 -14.227 -6.448 -3.216 560 HB2 HIS 69 2HB HIS 69 -13.203 -7.205 -5.958 561 HB3 HIS 69 3HB HIS 69 -14.445 -5.990 -5.667 562 HD1 HIS 69 HD1 HIS 69 -13.330 -3.830 -6.158 563 HD2 HIS 69 HD2 HIS 69 -10.945 -6.322 -3.841 564 HE1 HIS 69 HE1 HIS 69 -11.306 -2.461 -5.563 565 H MET 70 H MET 70 -16.414 -6.633 -3.620 566 HA MET 70 HA MET 70 -17.343 -9.229 -4.651 567 HB2 MET 70 2HB MET 70 -17.528 -9.245 -2.217 568 HB3 MET 70 3HB MET 70 -18.427 -7.735 -2.257 569 HG2 MET 70 2HG MET 70 -20.333 -8.815 -2.535 570 HG3 MET 70 3HG MET 70 -19.701 -9.659 -3.947 571 HE1 MET 70 1HE MET 70 -21.738 -10.255 -1.584 572 HE2 MET 70 2HE MET 70 -21.683 -11.766 -2.492 573 HE3 MET 70 3HE MET 70 -21.384 -11.770 -0.753 574 H VAL 71 H VAL 71 -18.902 -9.127 -6.151 575 HA VAL 71 HA VAL 71 -20.480 -6.666 -6.404 576 HB VAL 71 HB VAL 71 -20.232 -6.882 -8.924 577 HG11 VAL 71 1HG1 VAL 71 -18.022 -6.001 -7.101 578 HG12 VAL 71 2HG1 VAL 71 -17.895 -5.804 -8.850 579 HG13 VAL 71 3HG1 VAL 71 -19.207 -5.023 -7.967 580 HG21 VAL 71 1HG2 VAL 71 -18.877 -9.192 -8.276 581 HG22 VAL 71 2HG2 VAL 71 -18.874 -8.397 -9.850 582 HG23 VAL 71 3HG2 VAL 71 -17.584 -8.068 -8.693 583 H VAL 72 H VAL 72 -22.507 -7.326 -6.122 584 HA VAL 72 HA VAL 72 -23.336 -9.933 -7.178 585 HB VAL 72 HB VAL 72 -23.902 -9.661 -4.872 586 HG11 VAL 72 1HG1 VAL 72 -24.354 -6.938 -5.634 587 HG12 VAL 72 2HG1 VAL 72 -25.777 -7.568 -4.803 588 HG13 VAL 72 3HG1 VAL 72 -24.197 -7.632 -4.021 589 HG21 VAL 72 1HG2 VAL 72 -25.600 -10.644 -6.486 590 HG22 VAL 72 2HG2 VAL 72 -26.213 -10.122 -4.917 591 HG23 VAL 72 3HG2 VAL 72 -26.467 -9.115 -6.343 592 H ALA 73 H ALA 73 -23.982 -9.785 -9.238 593 HA ALA 73 HA ALA 73 -25.831 -7.602 -9.952 594 HB1 ALA 73 1HB ALA 73 -24.152 -9.100 -11.939 595 HB2 ALA 73 2HB ALA 73 -24.971 -7.549 -12.131 596 HB3 ALA 73 3HB ALA 73 -23.550 -7.674 -11.093 597 H LEU 74 H LEU 74 -27.792 -8.538 -9.654 598 HA LEU 74 HA LEU 74 -28.289 -11.110 -11.000 599 HB2 LEU 74 2HB LEU 74 -30.164 -11.406 -9.489 600 HB3 LEU 74 3HB LEU 74 -28.665 -11.160 -8.594 601 HG LEU 74 HG LEU 74 -29.730 -8.618 -8.765 602 HD11 LEU 74 1HD1 LEU 74 -32.031 -10.105 -7.722 603 HD12 LEU 74 2HD1 LEU 74 -31.827 -10.191 -9.471 604 HD13 LEU 74 3HD1 LEU 74 -31.969 -8.623 -8.676 605 HD21 LEU 74 1HD2 LEU 74 -30.304 -10.466 -6.475 606 HD22 LEU 74 2HD2 LEU 74 -29.880 -8.754 -6.443 607 HD23 LEU 74 3HD2 LEU 74 -28.657 -9.959 -6.852 608 H ARG 75 H ARG 75 -29.237 -7.777 -10.750 609 HA ARG 75 HA ARG 75 -31.665 -8.056 -12.253 610 HB2 ARG 75 2HB ARG 75 -30.508 -6.066 -10.673 611 HB3 ARG 75 3HB ARG 75 -30.522 -5.391 -12.296 612 HG2 ARG 75 2HG ARG 75 -32.551 -4.705 -11.443 613 HG3 ARG 75 3HG ARG 75 -32.988 -6.160 -12.340 614 HD2 ARG 75 2HD ARG 75 -33.751 -7.135 -10.494 615 HD3 ARG 75 3HD ARG 75 -32.228 -6.841 -9.656 616 HE ARG 75 HE ARG 75 -33.176 -5.021 -8.626 617 HH11 ARG 75 1HH1 ARG 75 -35.227 -6.087 -11.229 618 HH12 ARG 75 2HH1 ARG 75 -36.549 -5.060 -10.783 619 HH21 ARG 75 1HH2 ARG 75 -34.909 -3.663 -8.028 620 HH22 ARG 75 2HH2 ARG 75 -36.366 -3.680 -8.963 621 H ALA 76 H ALA 76 -28.501 -6.574 -12.974 622 HA ALA 76 HA ALA 76 -28.631 -7.538 -15.697 623 HB1 ALA 76 1HB ALA 76 -28.844 -5.560 -16.827 624 HB2 ALA 76 2HB ALA 76 -29.880 -5.238 -15.436 625 HB3 ALA 76 3HB ALA 76 -28.237 -4.596 -15.480 626 H GLY 77 H GLY 77 -26.629 -7.274 -16.849 627 HA2 GLY 77 2HA GLY 77 -24.352 -6.112 -15.527 628 HA3 GLY 77 3HA GLY 77 -24.349 -7.869 -15.484 629 H CYS 78 H CYS 78 -24.768 -5.187 -17.790 630 HA CYS 78 HA CYS 78 -23.373 -6.829 -19.797 631 HB2 CYS 78 2HB CYS 78 -25.828 -5.507 -19.971 632 HB3 CYS 78 3HB CYS 78 -24.711 -4.488 -20.870 633 HG CYS 78 HG CYS 78 -24.969 -5.851 -23.019 Start of MODEL 4 1 H MET 1 H MET 1 1.697 -0.032 0.892 2 HA MET 1 HA MET 1 1.812 0.874 -1.683 3 HB2 MET 1 2HB MET 1 3.704 0.253 0.005 4 HB3 MET 1 3HB MET 1 3.686 -1.302 -0.816 5 HG2 MET 1 2HG MET 1 4.242 -0.282 -2.904 6 HG3 MET 1 3HG MET 1 4.055 1.331 -2.219 7 HE1 MET 1 1HE MET 1 7.391 2.237 -0.973 8 HE2 MET 1 2HE MET 1 5.985 2.663 -1.948 9 HE3 MET 1 3HE MET 1 5.788 2.280 -0.237 10 H LEU 2 H LEU 2 2.180 -2.587 -0.891 11 HA LEU 2 HA LEU 2 1.075 -3.221 -3.538 12 HB2 LEU 2 2HB LEU 2 3.275 -4.115 -3.180 13 HB3 LEU 2 3HB LEU 2 2.781 -4.829 -1.647 14 HG LEU 2 HG LEU 2 1.305 -5.742 -4.037 15 HD11 LEU 2 1HD1 LEU 2 3.581 -7.374 -3.935 16 HD12 LEU 2 2HD1 LEU 2 4.171 -5.714 -4.010 17 HD13 LEU 2 3HD1 LEU 2 3.069 -6.315 -5.249 18 HD21 LEU 2 1HD2 LEU 2 1.989 -7.946 -2.763 19 HD22 LEU 2 2HD2 LEU 2 0.679 -6.918 -2.180 20 HD23 LEU 2 3HD2 LEU 2 2.277 -6.816 -1.440 21 H LEU 3 H LEU 3 -0.869 -4.124 -3.706 22 HA LEU 3 HA LEU 3 -1.960 -5.631 -1.445 23 HB2 LEU 3 2HB LEU 3 -3.945 -4.440 -1.323 24 HB3 LEU 3 3HB LEU 3 -2.721 -3.183 -1.491 25 HG LEU 3 HG LEU 3 -4.463 -4.211 -3.731 26 HD11 LEU 3 1HD1 LEU 3 -6.055 -2.883 -2.950 27 HD12 LEU 3 2HD1 LEU 3 -4.975 -1.506 -3.163 28 HD13 LEU 3 3HD1 LEU 3 -5.020 -2.360 -1.621 29 HD21 LEU 3 1HD2 LEU 3 -3.619 -2.093 -4.824 30 HD22 LEU 3 2HD2 LEU 3 -2.445 -3.399 -4.655 31 HD23 LEU 3 3HD2 LEU 3 -2.404 -2.025 -3.548 32 H LYS 4 H LYS 4 -3.500 -7.194 -1.998 33 HA LYS 4 HA LYS 4 -3.648 -7.782 -4.881 34 HB2 LYS 4 2HB LYS 4 -2.401 -9.491 -3.743 35 HB3 LYS 4 3HB LYS 4 -3.631 -9.633 -2.494 36 HG2 LYS 4 2HG LYS 4 -5.212 -10.463 -4.206 37 HG3 LYS 4 3HG LYS 4 -3.902 -10.420 -5.388 38 HD2 LYS 4 2HD LYS 4 -3.532 -11.907 -2.823 39 HD3 LYS 4 3HD LYS 4 -4.465 -12.640 -4.129 40 HE2 LYS 4 2HE LYS 4 -2.645 -12.909 -5.459 41 HE3 LYS 4 3HE LYS 4 -1.858 -11.450 -4.861 42 HZ1 LYS 4 1HZ LYS 4 -0.968 -12.555 -3.073 43 HZ2 LYS 4 2HZ LYS 4 -0.907 -13.763 -4.254 44 HZ3 LYS 4 3HZ LYS 4 -2.133 -13.781 -3.089 45 H VAL 5 H VAL 5 -5.574 -7.301 -5.694 46 HA VAL 5 HA VAL 5 -7.953 -7.563 -3.991 47 HB VAL 5 HB VAL 5 -9.102 -6.168 -5.660 48 HG11 VAL 5 1HG1 VAL 5 -8.294 -4.184 -4.848 49 HG12 VAL 5 2HG1 VAL 5 -7.568 -5.311 -3.701 50 HG13 VAL 5 3HG1 VAL 5 -6.609 -4.666 -5.034 51 HG21 VAL 5 1HG2 VAL 5 -7.046 -5.028 -7.136 52 HG22 VAL 5 2HG2 VAL 5 -6.721 -6.761 -7.199 53 HG23 VAL 5 3HG2 VAL 5 -8.282 -6.136 -7.733 54 H LYS 6 H LYS 6 -9.394 -9.121 -4.346 55 HA LYS 6 HA LYS 6 -9.376 -10.489 -6.953 56 HB2 LYS 6 2HB LYS 6 -9.986 -12.582 -5.613 57 HB3 LYS 6 3HB LYS 6 -8.314 -12.043 -5.544 58 HG2 LYS 6 2HG LYS 6 -9.791 -10.798 -3.440 59 HG3 LYS 6 3HG LYS 6 -10.068 -12.541 -3.405 60 HD2 LYS 6 2HD LYS 6 -7.291 -11.477 -3.725 61 HD3 LYS 6 3HD LYS 6 -8.038 -11.521 -2.126 62 HE2 LYS 6 2HE LYS 6 -7.910 -13.922 -3.935 63 HE3 LYS 6 3HE LYS 6 -6.637 -13.531 -2.780 64 HZ1 LYS 6 1HZ LYS 6 -9.069 -14.854 -2.315 65 HZ2 LYS 6 2HZ LYS 6 -9.074 -13.413 -1.430 66 HZ3 LYS 6 3HZ LYS 6 -7.821 -14.530 -1.219 67 H THR 7 H THR 7 -11.277 -10.367 -7.931 68 HA THR 7 HA THR 7 -13.636 -9.578 -6.432 69 HB THR 7 HB THR 7 -13.864 -10.184 -9.325 70 HG1 THR 7 HG1 THR 7 -12.838 -8.087 -9.749 71 HG21 THR 7 1HG2 THR 7 -14.973 -8.306 -7.330 72 HG22 THR 7 2HG2 THR 7 -15.763 -9.128 -8.676 73 HG23 THR 7 3HG2 THR 7 -14.797 -7.683 -8.970 74 H VAL 8 H VAL 8 -15.757 -10.659 -7.133 75 HA VAL 8 HA VAL 8 -15.641 -13.393 -6.372 76 HB VAL 8 HB VAL 8 -17.565 -11.885 -5.881 77 HG11 VAL 8 1HG1 VAL 8 -18.366 -12.346 -8.747 78 HG12 VAL 8 2HG1 VAL 8 -19.174 -11.338 -7.545 79 HG13 VAL 8 3HG1 VAL 8 -17.597 -10.865 -8.178 80 HG21 VAL 8 1HG2 VAL 8 -18.823 -13.705 -5.588 81 HG22 VAL 8 2HG2 VAL 8 -18.946 -13.997 -7.323 82 HG23 VAL 8 3HG2 VAL 8 -17.550 -14.592 -6.426 83 H SER 9 H SER 9 -15.136 -11.883 -9.325 84 HA SER 9 HA SER 9 -16.175 -14.039 -10.965 85 HB2 SER 9 2HB SER 9 -15.140 -11.322 -11.423 86 HB3 SER 9 3HB SER 9 -14.684 -12.492 -12.662 87 HG SER 9 HG SER 9 -16.756 -12.768 -13.193 88 H ASN 10 H ASN 10 -13.763 -14.100 -8.977 89 HA ASN 10 HA ASN 10 -11.870 -15.350 -8.790 90 HB2 ASN 10 2HB ASN 10 -13.370 -16.663 -10.739 91 HB3 ASN 10 3HB ASN 10 -11.772 -16.494 -11.462 92 HD21 ASN 10 1HD2 ASN 10 -13.645 -17.954 -8.953 93 HD22 ASN 10 2HD2 ASN 10 -12.428 -19.043 -8.390 94 H LYS 11 H LYS 11 -11.867 -12.652 -9.903 95 HA LYS 11 HA LYS 11 -9.485 -12.766 -11.626 96 HB2 LYS 11 2HB LYS 11 -11.540 -10.593 -11.210 97 HB3 LYS 11 3HB LYS 11 -10.046 -10.349 -12.105 98 HG2 LYS 11 2HG LYS 11 -10.712 -12.079 -13.695 99 HG3 LYS 11 3HG LYS 11 -12.211 -12.327 -12.796 100 HD2 LYS 11 2HD LYS 11 -12.998 -10.155 -13.339 101 HD3 LYS 11 3HD LYS 11 -11.419 -9.662 -13.955 102 HE2 LYS 11 2HE LYS 11 -12.040 -11.895 -15.459 103 HE3 LYS 11 3HE LYS 11 -13.588 -11.070 -15.286 104 HZ1 LYS 11 1HZ LYS 11 -11.953 -10.459 -17.208 105 HZ2 LYS 11 2HZ LYS 11 -11.233 -9.489 -16.025 106 HZ3 LYS 11 3HZ LYS 11 -12.857 -9.256 -16.435 107 H VAL 12 H VAL 12 -7.735 -12.772 -10.341 108 HA VAL 12 HA VAL 12 -7.640 -10.880 -8.091 109 HB VAL 12 HB VAL 12 -5.768 -13.190 -8.606 110 HG11 VAL 12 1HG1 VAL 12 -6.185 -11.290 -6.322 111 HG12 VAL 12 2HG1 VAL 12 -5.418 -12.862 -6.089 112 HG13 VAL 12 3HG1 VAL 12 -4.694 -11.680 -7.180 113 HG21 VAL 12 1HG2 VAL 12 -7.470 -14.517 -8.035 114 HG22 VAL 12 2HG2 VAL 12 -7.307 -13.845 -6.412 115 HG23 VAL 12 3HG2 VAL 12 -8.473 -13.154 -7.540 116 H ILE 13 H ILE 13 -6.363 -9.152 -8.200 117 HA ILE 13 HA ILE 13 -4.191 -9.130 -10.189 118 HB ILE 13 HB ILE 13 -6.033 -6.831 -9.521 119 HG12 ILE 13 2HG1 ILE 13 -7.101 -8.458 -10.982 120 HG13 ILE 13 3HG1 ILE 13 -6.696 -7.013 -11.902 121 HG21 ILE 13 1HG2 ILE 13 -3.481 -7.009 -11.055 122 HG22 ILE 13 2HG2 ILE 13 -4.719 -5.862 -11.563 123 HG23 ILE 13 3HG2 ILE 13 -4.039 -5.763 -9.939 124 HD11 ILE 13 1HD1 ILE 13 -5.934 -9.723 -12.363 125 HD12 ILE 13 2HD1 ILE 13 -5.663 -8.299 -13.369 126 HD13 ILE 13 3HD1 ILE 13 -4.493 -8.736 -12.124 127 H GLN 14 H GLN 14 -2.299 -8.962 -9.203 128 HA GLN 14 HA GLN 14 -2.158 -7.598 -6.607 129 HB2 GLN 14 2HB GLN 14 -1.336 -9.853 -6.519 130 HB3 GLN 14 3HB GLN 14 -0.317 -9.592 -7.929 131 HG2 GLN 14 2HG GLN 14 0.356 -7.663 -5.947 132 HG3 GLN 14 3HG GLN 14 0.337 -9.263 -5.207 133 HE21 GLN 14 1HE2 GLN 14 1.191 -8.249 -8.486 134 HE22 GLN 14 2HE2 GLN 14 2.809 -8.853 -8.440 135 H ILE 15 H ILE 15 -1.464 -5.574 -6.627 136 HA ILE 15 HA ILE 15 0.534 -4.793 -8.649 137 HB ILE 15 HB ILE 15 -0.393 -2.481 -8.471 138 HG12 ILE 15 2HG1 ILE 15 -2.637 -3.883 -7.002 139 HG13 ILE 15 3HG1 ILE 15 -1.507 -2.736 -6.293 140 HG21 ILE 15 1HG2 ILE 15 -2.589 -4.306 -9.357 141 HG22 ILE 15 2HG2 ILE 15 -1.988 -2.829 -10.110 142 HG23 ILE 15 3HG2 ILE 15 -1.036 -4.312 -10.193 143 HD11 ILE 15 1HD1 ILE 15 -2.419 -1.161 -8.176 144 HD12 ILE 15 2HD1 ILE 15 -3.796 -2.262 -8.123 145 HD13 ILE 15 3HD1 ILE 15 -3.307 -1.390 -6.670 146 H THR 16 H THR 16 2.099 -3.233 -8.018 147 HA THR 16 HA THR 16 2.455 -3.007 -5.099 148 HB THR 16 HB THR 16 4.119 -4.536 -5.931 149 HG1 THR 16 HG1 THR 16 4.752 -2.797 -4.427 150 HG21 THR 16 1HG2 THR 16 5.728 -2.926 -7.612 151 HG22 THR 16 2HG2 THR 16 4.077 -2.835 -8.225 152 HG23 THR 16 3HG2 THR 16 4.859 -4.403 -8.026 153 H SER 17 H SER 17 1.074 -1.013 -5.952 154 HA SER 17 HA SER 17 2.717 1.264 -5.617 155 HB2 SER 17 2HB SER 17 3.394 1.173 -7.854 156 HB3 SER 17 3HB SER 17 1.822 0.595 -8.407 157 HG SER 17 HG SER 17 2.675 3.062 -8.410 158 H LEU 18 H LEU 18 1.102 1.449 -3.973 159 HA LEU 18 HA LEU 18 -1.549 2.279 -4.938 160 HB2 LEU 18 2HB LEU 18 -0.689 0.651 -2.763 161 HB3 LEU 18 3HB LEU 18 -1.496 2.076 -2.112 162 HG LEU 18 HG LEU 18 -2.655 0.040 -4.011 163 HD11 LEU 18 1HD1 LEU 18 -4.323 -0.014 -2.003 164 HD12 LEU 18 2HD1 LEU 18 -2.950 0.630 -1.102 165 HD13 LEU 18 3HD1 LEU 18 -2.812 -0.921 -1.930 166 HD21 LEU 18 1HD2 LEU 18 -4.772 1.418 -3.561 167 HD22 LEU 18 2HD2 LEU 18 -3.607 2.047 -4.727 168 HD23 LEU 18 3HD2 LEU 18 -3.667 2.710 -3.093 169 H THR 19 H THR 19 -2.529 4.162 -4.061 170 HA THR 19 HA THR 19 -0.653 6.305 -3.626 171 HB THR 19 HB THR 19 -3.522 6.877 -3.245 172 HG1 THR 19 HG1 THR 19 -2.495 5.787 -5.664 173 HG21 THR 19 1HG2 THR 19 -2.336 8.812 -3.529 174 HG22 THR 19 2HG2 THR 19 -2.746 8.485 -5.213 175 HG23 THR 19 3HG2 THR 19 -1.151 8.058 -4.594 176 H ASP 20 H ASP 20 -1.479 8.020 -1.911 177 HA ASP 20 HA ASP 20 -1.942 6.595 0.626 178 HB2 ASP 20 2HB ASP 20 -0.531 8.694 1.501 179 HB3 ASP 20 3HB ASP 20 0.232 7.187 1.000 180 H ASP 21 H ASP 21 -3.190 8.743 -1.508 181 HA ASP 21 HA ASP 21 -4.338 10.553 0.472 182 HB2 ASP 21 2HB ASP 21 -4.600 10.485 -2.542 183 HB3 ASP 21 3HB ASP 21 -5.303 11.715 -1.495 184 H ASN 22 H ASN 22 -5.427 8.231 -1.991 185 HA ASN 22 HA ASN 22 -7.979 8.026 -0.530 186 HB2 ASN 22 2HB ASN 22 -7.411 8.372 -3.395 187 HB3 ASN 22 3HB ASN 22 -8.567 7.092 -3.038 188 HD21 ASN 22 1HD2 ASN 22 -10.062 7.926 -1.074 189 HD22 ASN 22 2HD2 ASN 22 -10.850 9.421 -1.432 190 H THR 23 H THR 23 -5.767 6.253 -2.683 191 HA THR 23 HA THR 23 -5.128 4.069 -2.744 192 HB THR 23 HB THR 23 -6.191 4.038 0.087 193 HG1 THR 23 HG1 THR 23 -3.757 4.004 0.382 194 HG21 THR 23 1HG2 THR 23 -5.881 1.832 0.071 195 HG22 THR 23 2HG2 THR 23 -4.175 2.104 -0.283 196 HG23 THR 23 3HG2 THR 23 -5.326 1.889 -1.601 197 H ILE 24 H ILE 24 -7.817 3.463 -0.546 198 HA ILE 24 HA ILE 24 -8.886 1.380 -2.089 199 HB ILE 24 HB ILE 24 -10.231 3.056 0.033 200 HG12 ILE 24 2HG1 ILE 24 -9.774 0.651 1.172 201 HG13 ILE 24 3HG1 ILE 24 -8.408 0.719 0.063 202 HG21 ILE 24 1HG2 ILE 24 -11.085 0.550 -1.379 203 HG22 ILE 24 2HG2 ILE 24 -11.687 0.963 0.226 204 HG23 ILE 24 3HG2 ILE 24 -11.989 2.044 -1.134 205 HD11 ILE 24 1HD1 ILE 24 -8.632 1.891 2.594 206 HD12 ILE 24 2HD1 ILE 24 -7.322 2.075 1.427 207 HD13 ILE 24 3HD1 ILE 24 -8.665 3.217 1.431 208 H ALA 25 H ALA 25 -10.319 4.598 -1.501 209 HA ALA 25 HA ALA 25 -12.380 4.437 -3.339 210 HB1 ALA 25 1HB ALA 25 -11.521 6.327 -1.594 211 HB2 ALA 25 2HB ALA 25 -11.137 7.089 -3.138 212 HB3 ALA 25 3HB ALA 25 -12.790 6.577 -2.795 213 H GLU 26 H GLU 26 -9.006 5.310 -3.841 214 HA GLU 26 HA GLU 26 -9.311 6.214 -6.515 215 HB2 GLU 26 2HB GLU 26 -7.328 6.467 -4.776 216 HB3 GLU 26 3HB GLU 26 -6.742 5.019 -5.582 217 HG2 GLU 26 2HG GLU 26 -5.707 6.717 -6.751 218 HG3 GLU 26 3HG GLU 26 -7.105 6.344 -7.758 219 H LEU 27 H LEU 27 -8.466 3.095 -5.079 220 HA LEU 27 HA LEU 27 -7.901 1.769 -7.512 221 HB2 LEU 27 2HB LEU 27 -7.835 1.155 -4.788 222 HB3 LEU 27 3HB LEU 27 -8.974 0.010 -5.493 223 HG LEU 27 HG LEU 27 -6.062 0.374 -6.167 224 HD11 LEU 27 1HD1 LEU 27 -5.884 -1.938 -5.485 225 HD12 LEU 27 2HD1 LEU 27 -7.622 -2.017 -5.199 226 HD13 LEU 27 3HD1 LEU 27 -6.609 -0.986 -4.189 227 HD21 LEU 27 1HD2 LEU 27 -6.601 -1.616 -7.733 228 HD22 LEU 27 2HD2 LEU 27 -6.946 0.026 -8.280 229 HD23 LEU 27 3HD2 LEU 27 -8.251 -0.996 -7.677 230 H LYS 28 H LYS 28 -10.813 1.809 -5.466 231 HA LYS 28 HA LYS 28 -12.378 0.193 -7.173 232 HB2 LYS 28 2HB LYS 28 -14.271 0.917 -5.847 233 HB3 LYS 28 3HB LYS 28 -12.902 0.601 -4.788 234 HG2 LYS 28 2HG LYS 28 -12.437 3.049 -4.774 235 HG3 LYS 28 3HG LYS 28 -13.939 3.284 -5.672 236 HD2 LYS 28 2HD LYS 28 -13.688 2.002 -2.951 237 HD3 LYS 28 3HD LYS 28 -14.266 3.638 -3.273 238 HE2 LYS 28 2HE LYS 28 -15.903 2.259 -4.888 239 HE3 LYS 28 3HE LYS 28 -15.610 1.032 -3.656 240 HZ1 LYS 28 1HZ LYS 28 -16.100 3.372 -2.286 241 HZ2 LYS 28 2HZ LYS 28 -17.138 2.045 -2.437 242 HZ3 LYS 28 3HZ LYS 28 -17.254 3.338 -3.522 243 H GLY 29 H GLY 29 -11.864 3.675 -6.976 244 HA2 GLY 29 2HA GLY 29 -13.922 4.409 -8.788 245 HA3 GLY 29 3HA GLY 29 -12.542 5.400 -8.336 246 H LYS 30 H LYS 30 -10.571 3.459 -9.226 247 HA LYS 30 HA LYS 30 -10.450 4.250 -11.976 248 HB2 LYS 30 2HB LYS 30 -8.689 2.589 -10.192 249 HB3 LYS 30 3HB LYS 30 -8.373 2.714 -11.918 250 HG2 LYS 30 2HG LYS 30 -8.728 5.214 -10.343 251 HG3 LYS 30 3HG LYS 30 -7.211 4.321 -10.207 252 HD2 LYS 30 2HD LYS 30 -6.933 4.427 -12.637 253 HD3 LYS 30 3HD LYS 30 -8.452 5.316 -12.773 254 HE2 LYS 30 2HE LYS 30 -6.494 6.450 -10.894 255 HE3 LYS 30 3HE LYS 30 -6.007 6.472 -12.588 256 HZ1 LYS 30 1HZ LYS 30 -8.588 7.327 -12.643 257 HZ2 LYS 30 2HZ LYS 30 -7.218 8.316 -12.729 258 HZ3 LYS 30 3HZ LYS 30 -7.979 8.053 -11.241 259 H LEU 31 H LEU 31 -11.214 1.297 -10.239 260 HA LEU 31 HA LEU 31 -11.161 -0.450 -12.463 261 HB2 LEU 31 2HB LEU 31 -11.413 -0.773 -9.788 262 HB3 LEU 31 3HB LEU 31 -13.075 -1.044 -10.307 263 HG LEU 31 HG LEU 31 -11.901 -3.150 -10.103 264 HD11 LEU 31 1HD1 LEU 31 -12.842 -4.037 -11.940 265 HD12 LEU 31 2HD1 LEU 31 -11.978 -2.957 -13.034 266 HD13 LEU 31 3HD1 LEU 31 -13.428 -2.394 -12.203 267 HD21 LEU 31 1HD2 LEU 31 -9.906 -3.681 -11.165 268 HD22 LEU 31 2HD2 LEU 31 -9.639 -2.022 -10.630 269 HD23 LEU 31 3HD2 LEU 31 -10.047 -2.350 -12.315 270 H GLU 32 H GLU 32 -13.754 1.423 -10.941 271 HA GLU 32 HA GLU 32 -15.830 0.439 -12.601 272 HB2 GLU 32 2HB GLU 32 -17.109 2.402 -11.773 273 HB3 GLU 32 3HB GLU 32 -16.368 1.462 -10.485 274 HG2 GLU 32 2HG GLU 32 -14.537 3.105 -10.376 275 HG3 GLU 32 3HG GLU 32 -15.357 4.064 -11.607 276 H GLU 33 H GLU 33 -13.728 3.279 -12.776 277 HA GLU 33 HA GLU 33 -14.980 4.433 -15.043 278 HB2 GLU 33 2HB GLU 33 -13.290 5.445 -13.310 279 HB3 GLU 33 3HB GLU 33 -12.078 4.855 -14.439 280 HG2 GLU 33 2HG GLU 33 -12.553 7.162 -14.900 281 HG3 GLU 33 3HG GLU 33 -13.138 6.164 -16.230 282 H SER 34 H SER 34 -12.417 2.078 -14.623 283 HA SER 34 HA SER 34 -11.414 2.099 -17.254 284 HB2 SER 34 2HB SER 34 -10.282 0.092 -16.690 285 HB3 SER 34 3HB SER 34 -10.381 1.007 -15.186 286 HG SER 34 HG SER 34 -10.973 -1.206 -14.934 287 H GLU 35 H GLU 35 -13.944 0.149 -15.713 288 HA GLU 35 HA GLU 35 -14.550 -1.211 -18.196 289 HB2 GLU 35 2HB GLU 35 -15.638 -1.349 -15.400 290 HB3 GLU 35 3HB GLU 35 -16.492 -2.114 -16.732 291 HG2 GLU 35 2HG GLU 35 -13.609 -2.674 -16.106 292 HG3 GLU 35 3HG GLU 35 -14.943 -3.588 -15.404 293 H GLY 36 H GLY 36 -15.260 1.771 -16.958 294 HA2 GLY 36 2HA GLY 36 -16.605 3.370 -18.036 295 HA3 GLY 36 3HA GLY 36 -17.509 2.067 -18.794 296 H ILE 37 H ILE 37 -18.241 0.566 -16.595 297 HA ILE 37 HA ILE 37 -19.690 2.414 -14.842 298 HB ILE 37 HB ILE 37 -21.725 0.908 -15.091 299 HG12 ILE 37 2HG1 ILE 37 -20.613 0.234 -17.795 300 HG13 ILE 37 3HG1 ILE 37 -20.249 -0.795 -16.415 301 HG21 ILE 37 1HG2 ILE 37 -22.515 2.104 -17.096 302 HG22 ILE 37 2HG2 ILE 37 -21.683 3.165 -15.961 303 HG23 ILE 37 3HG2 ILE 37 -20.858 2.616 -17.420 304 HD11 ILE 37 1HD1 ILE 37 -22.286 -1.299 -17.966 305 HD12 ILE 37 2HD1 ILE 37 -22.406 -1.527 -16.221 306 HD13 ILE 37 3HD1 ILE 37 -23.081 -0.080 -16.970 307 HA PRO 38 HA PRO 38 -18.690 -0.417 -11.640 308 HB2 PRO 38 2HB PRO 38 -20.820 -0.118 -9.983 309 HB3 PRO 38 3HB PRO 38 -19.568 1.116 -10.171 310 HG2 PRO 38 2HG PRO 38 -22.281 0.961 -11.428 311 HG3 PRO 38 3HG PRO 38 -21.453 2.362 -10.723 312 HD2 PRO 38 2HD PRO 38 -21.559 1.926 -13.393 313 HD3 PRO 38 3HD PRO 38 -20.177 2.717 -12.609 314 H GLY 39 H GLY 39 -18.909 -2.550 -11.211 315 HA2 GLY 39 2HA GLY 39 -20.462 -4.230 -12.758 316 HA3 GLY 39 3HA GLY 39 -19.772 -4.679 -11.205 317 H ASN 40 H ASN 40 -21.172 -3.041 -9.485 318 HA ASN 40 HA ASN 40 -23.915 -2.858 -9.815 319 HB2 ASN 40 2HB ASN 40 -23.045 -5.575 -9.503 320 HB3 ASN 40 3HB ASN 40 -23.992 -5.106 -8.094 321 HD21 ASN 40 1HD2 ASN 40 -26.099 -4.097 -8.535 322 HD22 ASN 40 2HD2 ASN 40 -27.006 -4.662 -9.893 323 H MET 41 H MET 41 -22.136 -4.469 -7.184 324 HA MET 41 HA MET 41 -22.964 -2.289 -5.401 325 HB2 MET 41 2HB MET 41 -22.390 -5.183 -5.019 326 HB3 MET 41 3HB MET 41 -22.018 -4.101 -3.683 327 HG2 MET 41 2HG MET 41 -24.438 -3.233 -4.070 328 HG3 MET 41 3HG MET 41 -24.655 -4.773 -4.898 329 HE1 MET 41 1HE MET 41 -26.409 -5.390 -3.682 330 HE2 MET 41 2HE MET 41 -26.235 -6.480 -2.307 331 HE3 MET 41 3HE MET 41 -26.643 -4.784 -2.042 332 H ILE 42 H ILE 42 -20.157 -4.110 -6.500 333 HA ILE 42 HA ILE 42 -17.912 -3.798 -6.219 334 HB ILE 42 HB ILE 42 -18.600 -0.864 -6.121 335 HG12 ILE 42 2HG1 ILE 42 -19.827 -1.865 -7.971 336 HG13 ILE 42 3HG1 ILE 42 -18.480 -0.918 -8.594 337 HG21 ILE 42 1HG2 ILE 42 -16.354 -0.841 -5.894 338 HG22 ILE 42 2HG2 ILE 42 -16.160 -2.455 -6.577 339 HG23 ILE 42 3HG2 ILE 42 -16.393 -1.069 -7.643 340 HD11 ILE 42 1HD1 ILE 42 -19.117 -3.597 -9.135 341 HD12 ILE 42 2HD1 ILE 42 -17.713 -2.679 -9.682 342 HD13 ILE 42 3HD1 ILE 42 -17.630 -3.611 -8.187 343 H ARG 43 H ARG 43 -18.757 -4.593 -3.889 344 HA ARG 43 HA ARG 43 -17.607 -2.714 -1.930 345 HB2 ARG 43 2HB ARG 43 -20.135 -4.062 -1.934 346 HB3 ARG 43 3HB ARG 43 -19.173 -4.657 -0.588 347 HG2 ARG 43 2HG ARG 43 -19.215 -2.671 0.504 348 HG3 ARG 43 3HG ARG 43 -19.266 -1.727 -0.986 349 HD2 ARG 43 2HD ARG 43 -21.628 -2.589 -1.288 350 HD3 ARG 43 3HD ARG 43 -21.522 -3.184 0.369 351 HE ARG 43 HE ARG 43 -20.815 -0.557 0.547 352 HH11 ARG 43 1HH1 ARG 43 -23.567 -2.280 -0.710 353 HH12 ARG 43 2HH1 ARG 43 -24.686 -1.001 -0.373 354 HH21 ARG 43 1HH2 ARG 43 -22.279 1.134 0.996 355 HH22 ARG 43 2HH2 ARG 43 -23.952 0.941 0.596 356 H LEU 44 H LEU 44 -15.694 -3.356 -1.213 357 HA LEU 44 HA LEU 44 -15.063 -6.226 -1.219 358 HB2 LEU 44 2HB LEU 44 -12.707 -5.508 -1.126 359 HB3 LEU 44 3HB LEU 44 -13.555 -4.925 -2.557 360 HG LEU 44 HG LEU 44 -13.369 -3.108 -0.210 361 HD11 LEU 44 1HD1 LEU 44 -11.140 -2.425 -1.599 362 HD12 LEU 44 2HD1 LEU 44 -11.065 -4.185 -1.669 363 HD13 LEU 44 3HD1 LEU 44 -11.145 -3.368 -0.109 364 HD21 LEU 44 1HD2 LEU 44 -14.358 -2.893 -2.748 365 HD22 LEU 44 2HD2 LEU 44 -12.758 -2.169 -2.912 366 HD23 LEU 44 3HD2 LEU 44 -13.894 -1.539 -1.718 367 H VAL 45 H VAL 45 -13.857 -7.107 0.567 368 HA VAL 45 HA VAL 45 -14.390 -5.693 3.099 369 HB VAL 45 HB VAL 45 -15.731 -7.727 2.879 370 HG11 VAL 45 1HG1 VAL 45 -13.538 -9.621 3.137 371 HG12 VAL 45 2HG1 VAL 45 -14.958 -9.669 2.091 372 HG13 VAL 45 3HG1 VAL 45 -13.525 -8.767 1.595 373 HG21 VAL 45 1HG2 VAL 45 -13.506 -7.861 4.906 374 HG22 VAL 45 2HG2 VAL 45 -15.094 -7.120 5.102 375 HG23 VAL 45 3HG2 VAL 45 -14.951 -8.872 4.961 376 H TYR 46 H TYR 46 -12.694 -5.183 4.318 377 HA TYR 46 HA TYR 46 -10.094 -6.390 3.654 378 HB2 TYR 46 2HB TYR 46 -10.777 -3.739 3.741 379 HB3 TYR 46 3HB TYR 46 -10.093 -3.984 5.344 380 HD1 TYR 46 HD1 TYR 46 -9.222 -2.655 2.422 381 HD2 TYR 46 HD2 TYR 46 -7.917 -5.818 4.952 382 HE1 TYR 46 HE1 TYR 46 -6.959 -2.468 1.478 383 HE2 TYR 46 HE2 TYR 46 -5.650 -5.639 4.015 384 HH TYR 46 HH TYR 46 -4.513 -3.102 2.422 385 H GLN 47 H GLN 47 -9.440 -7.899 5.023 386 HA GLN 47 HA GLN 47 -9.108 -9.112 6.920 387 HB2 GLN 47 2HB GLN 47 -8.278 -6.548 7.439 388 HB3 GLN 47 3HB GLN 47 -9.383 -6.855 8.773 389 HG2 GLN 47 2HG GLN 47 -7.187 -8.763 8.044 390 HG3 GLN 47 3HG GLN 47 -6.935 -7.404 9.139 391 HE21 GLN 47 1HE2 GLN 47 -8.888 -10.294 8.628 392 HE22 GLN 47 2HE2 GLN 47 -9.179 -10.614 10.301 393 H GLY 48 H GLY 48 -11.817 -8.816 6.017 394 HA2 GLY 48 2HA GLY 48 -13.839 -9.647 6.787 395 HA3 GLY 48 3HA GLY 48 -13.155 -9.717 8.404 396 H LYS 49 H LYS 49 -12.630 -6.687 7.118 397 HA LYS 49 HA LYS 49 -15.004 -5.628 8.504 398 HB2 LYS 49 2HB LYS 49 -12.221 -5.010 8.750 399 HB3 LYS 49 3HB LYS 49 -13.062 -3.589 8.144 400 HG2 LYS 49 2HG LYS 49 -13.552 -3.143 10.263 401 HG3 LYS 49 3HG LYS 49 -14.700 -4.481 10.173 402 HD2 LYS 49 2HD LYS 49 -11.806 -4.763 10.977 403 HD3 LYS 49 3HD LYS 49 -13.148 -4.615 12.114 404 HE2 LYS 49 2HE LYS 49 -12.959 -6.770 10.016 405 HE3 LYS 49 3HE LYS 49 -12.376 -6.963 11.669 406 HZ1 LYS 49 1HZ LYS 49 -15.120 -6.816 10.670 407 HZ2 LYS 49 2HZ LYS 49 -14.810 -6.154 12.194 408 HZ3 LYS 49 3HZ LYS 49 -14.466 -7.783 11.895 409 H GLN 50 H GLN 50 -15.805 -3.526 7.677 410 HA GLN 50 HA GLN 50 -15.515 -3.361 4.749 411 HB2 GLN 50 2HB GLN 50 -17.995 -2.703 6.344 412 HB3 GLN 50 3HB GLN 50 -17.841 -2.719 4.592 413 HG2 GLN 50 2HG GLN 50 -17.054 -5.256 5.327 414 HG3 GLN 50 3HG GLN 50 -18.375 -4.892 6.436 415 HE21 GLN 50 1HE2 GLN 50 -20.076 -5.942 5.670 416 HE22 GLN 50 2HE2 GLN 50 -20.662 -5.862 4.047 417 H LEU 51 H LEU 51 -16.150 -1.183 3.866 418 HA LEU 51 HA LEU 51 -15.814 1.060 3.718 419 HB2 LEU 51 2HB LEU 51 -15.939 1.292 6.695 420 HB3 LEU 51 3HB LEU 51 -16.508 2.419 5.465 421 HG LEU 51 HG LEU 51 -17.809 -0.214 6.161 422 HD11 LEU 51 1HD1 LEU 51 -19.277 0.887 7.504 423 HD12 LEU 51 2HD1 LEU 51 -19.109 2.411 6.632 424 HD13 LEU 51 3HD1 LEU 51 -17.855 1.899 7.761 425 HD21 LEU 51 1HD2 LEU 51 -18.934 -0.011 4.262 426 HD22 LEU 51 2HD2 LEU 51 -18.004 1.432 3.856 427 HD23 LEU 51 3HD2 LEU 51 -19.508 1.579 4.766 428 H GLU 52 H GLU 52 -13.700 1.004 3.016 429 HA GLU 52 HA GLU 52 -11.646 1.379 5.096 430 HB2 GLU 52 2HB GLU 52 -11.358 0.163 2.344 431 HB3 GLU 52 3HB GLU 52 -10.021 0.489 3.438 432 HG2 GLU 52 2HG GLU 52 -12.204 -1.539 3.691 433 HG3 GLU 52 3HG GLU 52 -10.457 -1.774 3.725 434 H ASP 53 H ASP 53 -13.411 2.967 2.836 435 HA ASP 53 HA ASP 53 -11.626 4.514 1.377 436 HB2 ASP 53 2HB ASP 53 -14.213 4.408 1.280 437 HB3 ASP 53 3HB ASP 53 -14.160 5.675 2.502 438 H GLU 54 H GLU 54 -12.705 4.845 4.703 439 HA GLU 54 HA GLU 54 -11.561 7.426 5.115 440 HB2 GLU 54 2HB GLU 54 -13.272 5.755 6.533 441 HB3 GLU 54 3HB GLU 54 -11.819 5.812 7.521 442 HG2 GLU 54 2HG GLU 54 -11.933 8.190 7.678 443 HG3 GLU 54 3HG GLU 54 -13.242 8.255 6.500 444 H LYS 55 H LYS 55 -10.303 4.252 5.007 445 HA LYS 55 HA LYS 55 -7.886 5.020 6.479 446 HB2 LYS 55 2HB LYS 55 -8.993 2.369 5.580 447 HB3 LYS 55 3HB LYS 55 -7.327 2.537 6.118 448 HG2 LYS 55 2HG LYS 55 -8.387 1.871 8.045 449 HG3 LYS 55 3HG LYS 55 -8.391 3.627 8.222 450 HD2 LYS 55 2HD LYS 55 -10.716 3.104 6.821 451 HD3 LYS 55 3HD LYS 55 -10.617 1.772 7.975 452 HE2 LYS 55 2HE LYS 55 -10.272 4.653 8.771 453 HE3 LYS 55 3HE LYS 55 -11.843 3.852 8.748 454 HZ1 LYS 55 1HZ LYS 55 -9.543 2.766 10.262 455 HZ2 LYS 55 2HZ LYS 55 -11.179 2.372 10.422 456 HZ3 LYS 55 3HZ LYS 55 -10.619 3.882 10.939 457 H ARG 56 H ARG 56 -8.385 6.195 3.933 458 HA ARG 56 HA ARG 56 -7.232 5.016 1.736 459 HB2 ARG 56 2HB ARG 56 -6.451 7.471 1.235 460 HB3 ARG 56 3HB ARG 56 -8.162 7.069 1.259 461 HG2 ARG 56 2HG ARG 56 -7.301 7.801 3.892 462 HG3 ARG 56 3HG ARG 56 -6.839 9.049 2.732 463 HD2 ARG 56 2HD ARG 56 -9.481 8.188 2.124 464 HD3 ARG 56 3HD ARG 56 -9.394 8.529 3.852 465 HE ARG 56 HE ARG 56 -9.383 10.430 1.746 466 HH11 ARG 56 1HH1 ARG 56 -8.030 9.783 4.889 467 HH12 ARG 56 2HH1 ARG 56 -7.802 11.455 5.279 468 HH21 ARG 56 1HH2 ARG 56 -9.088 12.635 2.249 469 HH22 ARG 56 2HH2 ARG 56 -8.405 13.077 3.777 470 H LEU 57 H LEU 57 -5.470 7.330 3.802 471 HA LEU 57 HA LEU 57 -2.930 6.486 2.841 472 HB2 LEU 57 2HB LEU 57 -3.691 8.735 3.924 473 HB3 LEU 57 3HB LEU 57 -3.284 7.924 5.436 474 HG LEU 57 HG LEU 57 -1.271 8.064 3.226 475 HD11 LEU 57 1HD1 LEU 57 -2.169 10.285 5.004 476 HD12 LEU 57 2HD1 LEU 57 -1.681 10.325 3.310 477 HD13 LEU 57 3HD1 LEU 57 -0.464 10.146 4.574 478 HD21 LEU 57 1HD2 LEU 57 -0.024 7.066 4.763 479 HD22 LEU 57 2HD2 LEU 57 -1.363 7.119 5.910 480 HD23 LEU 57 3HD2 LEU 57 -0.221 8.461 5.823 481 H LYS 58 H LYS 58 -4.876 5.695 5.654 482 HA LYS 58 HA LYS 58 -2.950 4.377 7.189 483 HB2 LYS 58 2HB LYS 58 -5.788 4.708 7.216 484 HB3 LYS 58 3HB LYS 58 -5.425 3.006 7.476 485 HG2 LYS 58 2HG LYS 58 -3.701 4.698 9.057 486 HG3 LYS 58 3HG LYS 58 -5.405 5.031 9.372 487 HD2 LYS 58 2HD LYS 58 -5.827 2.825 10.044 488 HD3 LYS 58 3HD LYS 58 -4.339 2.225 9.309 489 HE2 LYS 58 2HE LYS 58 -3.680 2.267 11.490 490 HE3 LYS 58 3HE LYS 58 -3.246 3.914 11.033 491 HZ1 LYS 58 1HZ LYS 58 -5.876 3.246 12.215 492 HZ2 LYS 58 2HZ LYS 58 -5.150 4.767 12.073 493 HZ3 LYS 58 3HZ LYS 58 -4.533 3.635 13.168 494 H ASP 59 H ASP 59 -4.633 3.395 4.320 495 HA ASP 59 HA ASP 59 -3.971 0.597 4.614 496 HB2 ASP 59 2HB ASP 59 -5.506 2.249 2.699 497 HB3 ASP 59 3HB ASP 59 -4.730 0.818 2.026 498 H TYR 60 H TYR 60 -2.426 3.396 3.466 499 HA TYR 60 HA TYR 60 -0.748 2.087 1.524 500 HB2 TYR 60 2HB TYR 60 -1.353 4.467 1.298 501 HB3 TYR 60 3HB TYR 60 -0.489 4.824 2.790 502 HD1 TYR 60 HD1 TYR 60 0.134 3.173 -0.510 503 HD2 TYR 60 HD2 TYR 60 1.659 5.641 2.603 504 HE1 TYR 60 HE1 TYR 60 2.203 3.507 -1.797 505 HE2 TYR 60 HE2 TYR 60 3.731 5.983 1.324 506 HH TYR 60 HH TYR 60 4.053 5.436 -1.838 507 H GLN 61 H GLN 61 -0.723 2.551 4.914 508 HA GLN 61 HA GLN 61 2.140 2.248 5.203 509 HB2 GLN 61 2HB GLN 61 -0.079 2.287 7.255 510 HB3 GLN 61 3HB GLN 61 1.636 2.226 7.637 511 HG2 GLN 61 2HG GLN 61 2.005 4.394 6.799 512 HG3 GLN 61 3HG GLN 61 0.431 4.437 6.006 513 HE21 GLN 61 1HE2 GLN 61 -1.289 3.664 7.892 514 HE22 GLN 61 2HE2 GLN 61 -1.264 4.744 9.240 515 H MET 62 H MET 62 -0.470 0.197 4.702 516 HA MET 62 HA MET 62 0.506 -2.032 6.250 517 HB2 MET 62 2HB MET 62 -1.529 -2.185 4.038 518 HB3 MET 62 3HB MET 62 -1.362 -3.232 5.441 519 HG2 MET 62 2HG MET 62 -2.146 -0.331 5.579 520 HG3 MET 62 3HG MET 62 -3.289 -1.672 5.542 521 HE1 MET 62 1HE MET 62 0.005 -0.616 8.030 522 HE2 MET 62 2HE MET 62 -1.066 0.543 7.241 523 HE3 MET 62 3HE MET 62 -1.243 0.209 8.965 524 H SER 63 H SER 63 0.071 -1.461 2.753 525 HA SER 63 HA SER 63 1.100 -2.365 0.932 526 HB2 SER 63 2HB SER 63 3.569 -2.522 2.662 527 HB3 SER 63 3HB SER 63 3.478 -2.271 0.919 528 HG SER 63 HG SER 63 3.092 -0.472 3.005 529 H ALA 64 H ALA 64 -0.211 -4.212 2.701 530 HA ALA 64 HA ALA 64 0.617 -6.645 1.594 531 HB1 ALA 64 1HB ALA 64 1.360 -7.705 3.821 532 HB2 ALA 64 2HB ALA 64 2.525 -6.735 2.920 533 HB3 ALA 64 3HB ALA 64 1.703 -6.049 4.321 534 H GLY 65 H GLY 65 -1.815 -5.397 1.859 535 HA2 GLY 65 2HA GLY 65 -3.210 -7.116 3.818 536 HA3 GLY 65 3HA GLY 65 -3.754 -5.498 3.398 537 H ALA 66 H ALA 66 -4.227 -8.732 2.843 538 HA ALA 66 HA ALA 66 -4.821 -8.843 0.099 539 HB1 ALA 66 1HB ALA 66 -6.502 -10.692 1.130 540 HB2 ALA 66 2HB ALA 66 -4.779 -10.959 0.863 541 HB3 ALA 66 3HB ALA 66 -5.363 -10.505 2.464 542 H THR 67 H THR 67 -6.577 -8.309 -1.077 543 HA THR 67 HA THR 67 -8.900 -7.205 0.365 544 HB THR 67 HB THR 67 -8.782 -6.047 -2.224 545 HG1 THR 67 HG1 THR 67 -6.423 -5.412 -0.807 546 HG21 THR 67 1HG2 THR 67 -8.186 -4.815 0.469 547 HG22 THR 67 2HG2 THR 67 -9.802 -5.087 -0.184 548 HG23 THR 67 3HG2 THR 67 -8.704 -3.964 -0.986 549 H PHE 68 H PHE 68 -10.909 -7.755 -0.357 550 HA PHE 68 HA PHE 68 -11.072 -9.464 -2.745 551 HB2 PHE 68 2HB PHE 68 -11.160 -10.988 -0.904 552 HB3 PHE 68 3HB PHE 68 -12.299 -9.966 -0.033 553 HD1 PHE 68 HD1 PHE 68 -11.959 -11.949 -3.160 554 HD2 PHE 68 HD2 PHE 68 -14.570 -10.375 -0.189 555 HE1 PHE 68 HE1 PHE 68 -13.832 -13.206 -4.144 556 HE2 PHE 68 HE2 PHE 68 -16.446 -11.631 -1.168 557 HZ PHE 68 HZ PHE 68 -16.078 -13.049 -3.147 558 H HIS 69 H HIS 69 -12.304 -8.459 -4.181 559 HA HIS 69 HA HIS 69 -14.343 -6.576 -3.313 560 HB2 HIS 69 2HB HIS 69 -13.328 -7.304 -6.068 561 HB3 HIS 69 3HB HIS 69 -14.547 -6.074 -5.748 562 HD1 HIS 69 HD1 HIS 69 -13.459 -3.884 -6.091 563 HD2 HIS 69 HD2 HIS 69 -10.980 -6.536 -4.072 564 HE1 HIS 69 HE1 HIS 69 -11.393 -2.570 -5.519 565 H MET 70 H MET 70 -16.529 -6.757 -3.739 566 HA MET 70 HA MET 70 -17.446 -9.348 -4.792 567 HB2 MET 70 2HB MET 70 -17.656 -9.394 -2.367 568 HB3 MET 70 3HB MET 70 -18.533 -7.870 -2.389 569 HG2 MET 70 2HG MET 70 -20.453 -8.923 -2.676 570 HG3 MET 70 3HG MET 70 -19.836 -9.741 -4.110 571 HE1 MET 70 1HE MET 70 -19.292 -9.552 -0.398 572 HE2 MET 70 2HE MET 70 -20.793 -10.452 -0.184 573 HE3 MET 70 3HE MET 70 -19.246 -11.219 0.176 574 H VAL 71 H VAL 71 -19.004 -9.244 -6.295 575 HA VAL 71 HA VAL 71 -20.407 -6.677 -6.658 576 HB VAL 71 HB VAL 71 -19.430 -8.514 -8.849 577 HG11 VAL 71 1HG1 VAL 71 -20.882 -5.874 -9.001 578 HG12 VAL 71 2HG1 VAL 71 -20.233 -6.771 -10.375 579 HG13 VAL 71 3HG1 VAL 71 -21.547 -7.453 -9.416 580 HG21 VAL 71 1HG2 VAL 71 -17.553 -7.353 -7.999 581 HG22 VAL 71 2HG2 VAL 71 -18.046 -6.483 -9.451 582 HG23 VAL 71 3HG2 VAL 71 -18.456 -5.845 -7.859 583 H VAL 72 H VAL 72 -22.468 -6.992 -6.135 584 HA VAL 72 HA VAL 72 -23.717 -9.590 -6.563 585 HB VAL 72 HB VAL 72 -25.154 -7.226 -5.414 586 HG11 VAL 72 1HG1 VAL 72 -26.700 -8.750 -4.949 587 HG12 VAL 72 2HG1 VAL 72 -25.725 -9.957 -5.791 588 HG13 VAL 72 3HG1 VAL 72 -25.526 -9.715 -4.055 589 HG21 VAL 72 1HG2 VAL 72 -23.052 -7.215 -4.238 590 HG22 VAL 72 2HG2 VAL 72 -24.299 -7.871 -3.177 591 HG23 VAL 72 3HG2 VAL 72 -23.152 -8.954 -3.965 592 H ALA 73 H ALA 73 -24.362 -9.892 -8.612 593 HA ALA 73 HA ALA 73 -26.036 -7.795 -9.833 594 HB1 ALA 73 1HB ALA 73 -24.273 -9.697 -11.363 595 HB2 ALA 73 2HB ALA 73 -25.169 -8.314 -11.992 596 HB3 ALA 73 3HB ALA 73 -23.795 -8.059 -10.916 597 H LEU 74 H LEU 74 -28.040 -8.581 -9.437 598 HA LEU 74 HA LEU 74 -28.601 -11.355 -10.252 599 HB2 LEU 74 2HB LEU 74 -29.919 -9.561 -8.233 600 HB3 LEU 74 3HB LEU 74 -30.688 -11.029 -8.835 601 HG LEU 74 HG LEU 74 -28.157 -11.839 -7.984 602 HD11 LEU 74 1HD1 LEU 74 -28.545 -11.012 -5.497 603 HD12 LEU 74 2HD1 LEU 74 -29.222 -9.616 -6.334 604 HD13 LEU 74 3HD1 LEU 74 -27.556 -10.105 -6.642 605 HD21 LEU 74 1HD2 LEU 74 -30.633 -12.026 -6.303 606 HD22 LEU 74 2HD2 LEU 74 -29.347 -13.213 -6.523 607 HD23 LEU 74 3HD2 LEU 74 -30.490 -12.899 -7.829 608 H ARG 75 H ARG 75 -29.435 -8.010 -10.690 609 HA ARG 75 HA ARG 75 -31.815 -8.541 -12.222 610 HB2 ARG 75 2HB ARG 75 -30.633 -6.281 -10.990 611 HB3 ARG 75 3HB ARG 75 -30.762 -5.919 -12.706 612 HG2 ARG 75 2HG ARG 75 -32.958 -5.623 -12.570 613 HG3 ARG 75 3HG ARG 75 -33.181 -7.130 -11.680 614 HD2 ARG 75 2HD ARG 75 -33.921 -5.446 -10.221 615 HD3 ARG 75 3HD ARG 75 -32.309 -5.872 -9.647 616 HE ARG 75 HE ARG 75 -32.355 -3.661 -11.491 617 HH11 ARG 75 1HH1 ARG 75 -32.603 -4.633 -8.157 618 HH12 ARG 75 2HH1 ARG 75 -32.132 -3.086 -7.535 619 HH21 ARG 75 1HH2 ARG 75 -31.735 -1.620 -10.684 620 HH22 ARG 75 2HH2 ARG 75 -31.639 -1.372 -8.974 621 H ALA 76 H ALA 76 -28.637 -7.129 -13.028 622 HA ALA 76 HA ALA 76 -28.543 -8.585 -15.510 623 HB1 ALA 76 1HB ALA 76 -28.587 -5.585 -15.716 624 HB2 ALA 76 2HB ALA 76 -28.615 -6.771 -17.022 625 HB3 ALA 76 3HB ALA 76 -30.018 -6.584 -15.970 626 H GLY 77 H GLY 77 -26.511 -8.213 -16.687 627 HA2 GLY 77 2HA GLY 77 -24.417 -6.619 -15.718 628 HA3 GLY 77 3HA GLY 77 -24.294 -8.198 -14.955 629 H CYS 78 H CYS 78 -24.686 -6.717 -18.169 630 HA CYS 78 HA CYS 78 -23.096 -8.929 -19.282 631 HB2 CYS 78 2HB CYS 78 -25.456 -8.484 -20.156 632 HB3 CYS 78 3HB CYS 78 -24.802 -7.013 -20.867 633 HG CYS 78 HG CYS 78 -22.967 -8.361 -22.501 Start of MODEL 5 1 H MET 1 H MET 1 1.696 0.092 0.860 2 HA MET 1 HA MET 1 1.800 1.080 -1.691 3 HB2 MET 1 2HB MET 1 3.695 0.392 -0.025 4 HB3 MET 1 3HB MET 1 3.668 -1.129 -0.908 5 HG2 MET 1 2HG MET 1 4.512 -0.205 -2.811 6 HG3 MET 1 3HG MET 1 3.838 1.387 -2.470 7 HE1 MET 1 1HE MET 1 7.330 1.997 -3.092 8 HE2 MET 1 2HE MET 1 7.761 0.324 -2.735 9 HE3 MET 1 3HE MET 1 6.335 0.678 -3.711 10 H LEU 2 H LEU 2 2.152 -2.402 -0.992 11 HA LEU 2 HA LEU 2 1.029 -2.961 -3.649 12 HB2 LEU 2 2HB LEU 2 3.221 -3.882 -3.325 13 HB3 LEU 2 3HB LEU 2 2.732 -4.626 -1.804 14 HG LEU 2 HG LEU 2 1.222 -5.479 -4.191 15 HD11 LEU 2 1HD1 LEU 2 2.966 -6.007 -5.454 16 HD12 LEU 2 2HD1 LEU 2 3.490 -7.118 -4.189 17 HD13 LEU 2 3HD1 LEU 2 4.093 -5.461 -4.212 18 HD21 LEU 2 1HD2 LEU 2 0.820 -7.273 -2.919 19 HD22 LEU 2 2HD2 LEU 2 1.482 -6.314 -1.595 20 HD23 LEU 2 3HD2 LEU 2 2.516 -7.448 -2.466 21 H LEU 3 H LEU 3 -0.915 -3.863 -3.838 22 HA LEU 3 HA LEU 3 -2.015 -5.400 -1.601 23 HB2 LEU 3 2HB LEU 3 -3.988 -4.200 -1.455 24 HB3 LEU 3 3HB LEU 3 -2.765 -2.943 -1.627 25 HG LEU 3 HG LEU 3 -4.522 -3.960 -3.859 26 HD11 LEU 3 1HD1 LEU 3 -5.067 -1.276 -3.305 27 HD12 LEU 3 2HD1 LEU 3 -5.043 -2.089 -1.741 28 HD13 LEU 3 3HD1 LEU 3 -6.114 -2.666 -3.018 29 HD21 LEU 3 1HD2 LEU 3 -2.494 -1.742 -3.679 30 HD22 LEU 3 2HD2 LEU 3 -3.692 -1.861 -4.968 31 HD23 LEU 3 3HD2 LEU 3 -2.487 -3.133 -4.763 32 H LYS 4 H LYS 4 -3.560 -6.949 -2.180 33 HA LYS 4 HA LYS 4 -3.724 -7.482 -5.073 34 HB2 LYS 4 2HB LYS 4 -2.443 -9.205 -4.003 35 HB3 LYS 4 3HB LYS 4 -3.643 -9.384 -2.730 36 HG2 LYS 4 2HG LYS 4 -5.255 -10.199 -4.416 37 HG3 LYS 4 3HG LYS 4 -3.979 -10.110 -5.633 38 HD2 LYS 4 2HD LYS 4 -3.450 -11.633 -3.129 39 HD3 LYS 4 3HD LYS 4 -4.505 -12.356 -4.346 40 HE2 LYS 4 2HE LYS 4 -2.736 -12.035 -6.031 41 HE3 LYS 4 3HE LYS 4 -1.684 -11.377 -4.778 42 HZ1 LYS 4 1HZ LYS 4 -1.457 -13.424 -3.773 43 HZ2 LYS 4 2HZ LYS 4 -1.489 -13.851 -5.410 44 HZ3 LYS 4 3HZ LYS 4 -2.871 -14.054 -4.456 45 H VAL 5 H VAL 5 -5.665 -7.001 -5.848 46 HA VAL 5 HA VAL 5 -8.018 -7.337 -4.121 47 HB VAL 5 HB VAL 5 -9.205 -5.911 -5.745 48 HG11 VAL 5 1HG1 VAL 5 -7.890 -3.807 -5.288 49 HG12 VAL 5 2HG1 VAL 5 -8.281 -4.787 -3.873 50 HG13 VAL 5 3HG1 VAL 5 -6.656 -4.835 -4.559 51 HG21 VAL 5 1HG2 VAL 5 -6.825 -6.420 -7.311 52 HG22 VAL 5 2HG2 VAL 5 -8.396 -5.801 -7.819 53 HG23 VAL 5 3HG2 VAL 5 -7.173 -4.695 -7.193 54 H LYS 6 H LYS 6 -9.434 -8.911 -4.497 55 HA LYS 6 HA LYS 6 -9.441 -10.199 -7.145 56 HB2 LYS 6 2HB LYS 6 -10.002 -12.339 -5.861 57 HB3 LYS 6 3HB LYS 6 -8.337 -11.776 -5.792 58 HG2 LYS 6 2HG LYS 6 -9.807 -10.617 -3.636 59 HG3 LYS 6 3HG LYS 6 -10.064 -12.363 -3.652 60 HD2 LYS 6 2HD LYS 6 -7.285 -11.475 -4.080 61 HD3 LYS 6 3HD LYS 6 -7.951 -11.156 -2.477 62 HE2 LYS 6 2HE LYS 6 -7.216 -13.258 -2.080 63 HE3 LYS 6 3HE LYS 6 -8.767 -13.689 -2.800 64 HZ1 LYS 6 1HZ LYS 6 -6.344 -13.388 -4.462 65 HZ2 LYS 6 2HZ LYS 6 -7.768 -14.231 -4.811 66 HZ3 LYS 6 3HZ LYS 6 -6.682 -14.843 -3.668 67 H THR 7 H THR 7 -11.357 -10.074 -8.091 68 HA THR 7 HA THR 7 -13.704 -9.364 -6.534 69 HB THR 7 HB THR 7 -14.232 -9.844 -9.343 70 HG1 THR 7 HG1 THR 7 -12.090 -8.089 -8.664 71 HG21 THR 7 1HG2 THR 7 -15.305 -7.793 -9.216 72 HG22 THR 7 2HG2 THR 7 -14.174 -7.160 -8.020 73 HG23 THR 7 3HG2 THR 7 -15.385 -8.350 -7.545 74 H VAL 8 H VAL 8 -15.821 -10.449 -7.249 75 HA VAL 8 HA VAL 8 -15.659 -13.205 -6.584 76 HB VAL 8 HB VAL 8 -17.597 -11.743 -6.017 77 HG11 VAL 8 1HG1 VAL 8 -17.583 -10.789 -8.444 78 HG12 VAL 8 2HG1 VAL 8 -18.642 -12.159 -8.784 79 HG13 VAL 8 3HG1 VAL 8 -19.107 -10.962 -7.574 80 HG21 VAL 8 1HG2 VAL 8 -19.224 -13.453 -6.210 81 HG22 VAL 8 2HG2 VAL 8 -18.461 -14.117 -7.654 82 HG23 VAL 8 3HG2 VAL 8 -17.665 -14.269 -6.088 83 H SER 9 H SER 9 -15.210 -11.588 -9.488 84 HA SER 9 HA SER 9 -16.243 -13.699 -11.190 85 HB2 SER 9 2HB SER 9 -15.291 -10.950 -11.555 86 HB3 SER 9 3HB SER 9 -14.756 -12.052 -12.824 87 HG SER 9 HG SER 9 -16.727 -12.147 -13.548 88 H ASN 10 H ASN 10 -13.806 -13.798 -9.233 89 HA ASN 10 HA ASN 10 -11.896 -15.031 -9.111 90 HB2 ASN 10 2HB ASN 10 -13.407 -16.312 -11.056 91 HB3 ASN 10 3HB ASN 10 -11.846 -16.072 -11.835 92 HD21 ASN 10 1HD2 ASN 10 -12.875 -16.832 -8.523 93 HD22 ASN 10 2HD2 ASN 10 -11.877 -18.233 -8.356 94 H LYS 11 H LYS 11 -11.939 -12.297 -10.134 95 HA LYS 11 HA LYS 11 -9.577 -12.325 -11.888 96 HB2 LYS 11 2HB LYS 11 -11.632 -10.174 -11.367 97 HB3 LYS 11 3HB LYS 11 -10.167 -9.916 -12.305 98 HG2 LYS 11 2HG LYS 11 -10.901 -11.660 -13.881 99 HG3 LYS 11 3HG LYS 11 -12.397 -11.831 -12.960 100 HD2 LYS 11 2HD LYS 11 -13.248 -9.860 -13.718 101 HD3 LYS 11 3HD LYS 11 -11.659 -9.101 -13.850 102 HE2 LYS 11 2HE LYS 11 -11.389 -9.761 -15.983 103 HE3 LYS 11 3HE LYS 11 -12.099 -11.347 -15.685 104 HZ1 LYS 11 1HZ LYS 11 -13.305 -8.997 -16.770 105 HZ2 LYS 11 2HZ LYS 11 -14.196 -9.611 -15.470 106 HZ3 LYS 11 3HZ LYS 11 -13.852 -10.598 -16.800 107 H VAL 12 H VAL 12 -7.812 -12.352 -10.624 108 HA VAL 12 HA VAL 12 -7.711 -10.527 -8.319 109 HB VAL 12 HB VAL 12 -5.824 -12.806 -8.915 110 HG11 VAL 12 1HG1 VAL 12 -4.823 -12.384 -6.914 111 HG12 VAL 12 2HG1 VAL 12 -5.348 -10.745 -7.306 112 HG13 VAL 12 3HG1 VAL 12 -6.293 -11.732 -6.190 113 HG21 VAL 12 1HG2 VAL 12 -8.499 -12.777 -7.683 114 HG22 VAL 12 2HG2 VAL 12 -7.621 -14.093 -8.463 115 HG23 VAL 12 3HG2 VAL 12 -7.258 -13.660 -6.793 116 H ILE 13 H ILE 13 -6.414 -8.806 -8.361 117 HA ILE 13 HA ILE 13 -4.276 -8.706 -10.384 118 HB ILE 13 HB ILE 13 -6.115 -6.436 -9.616 119 HG12 ILE 13 2HG1 ILE 13 -7.196 -8.017 -11.118 120 HG13 ILE 13 3HG1 ILE 13 -6.807 -6.539 -11.992 121 HG21 ILE 13 1HG2 ILE 13 -3.521 -6.539 -11.023 122 HG22 ILE 13 2HG2 ILE 13 -4.765 -5.518 -11.743 123 HG23 ILE 13 3HG2 ILE 13 -4.252 -5.241 -10.079 124 HD11 ILE 13 1HD1 ILE 13 -4.602 -8.249 -12.300 125 HD12 ILE 13 2HD1 ILE 13 -6.047 -9.226 -12.563 126 HD13 ILE 13 3HD1 ILE 13 -5.785 -7.766 -13.515 127 H GLN 14 H GLN 14 -2.372 -8.565 -9.416 128 HA GLN 14 HA GLN 14 -2.202 -7.270 -6.786 129 HB2 GLN 14 2HB GLN 14 -1.405 -9.536 -6.749 130 HB3 GLN 14 3HB GLN 14 -0.392 -9.257 -8.159 131 HG2 GLN 14 2HG GLN 14 0.317 -7.376 -6.147 132 HG3 GLN 14 3HG GLN 14 0.277 -8.987 -5.432 133 HE21 GLN 14 1HE2 GLN 14 1.133 -7.937 -8.699 134 HE22 GLN 14 2HE2 GLN 14 2.743 -8.564 -8.669 135 H ILE 15 H ILE 15 -1.510 -5.245 -6.790 136 HA ILE 15 HA ILE 15 0.505 -4.453 -8.791 137 HB ILE 15 HB ILE 15 -0.408 -2.146 -8.622 138 HG12 ILE 15 2HG1 ILE 15 -2.661 -3.506 -7.127 139 HG13 ILE 15 3HG1 ILE 15 -1.496 -2.390 -6.423 140 HG21 ILE 15 1HG2 ILE 15 -2.438 -4.190 -9.510 141 HG22 ILE 15 2HG2 ILE 15 -2.298 -2.525 -10.074 142 HG23 ILE 15 3HG2 ILE 15 -1.029 -3.692 -10.446 143 HD11 ILE 15 1HD1 ILE 15 -2.453 -0.878 -8.430 144 HD12 ILE 15 2HD1 ILE 15 -3.870 -1.863 -8.067 145 HD13 ILE 15 3HD1 ILE 15 -3.122 -0.894 -6.798 146 H THR 16 H THR 16 2.075 -2.911 -8.134 147 HA THR 16 HA THR 16 2.420 -2.728 -5.211 148 HB THR 16 HB THR 16 4.091 -4.234 -6.070 149 HG1 THR 16 HG1 THR 16 5.057 -3.022 -4.548 150 HG21 THR 16 1HG2 THR 16 4.726 -4.045 -8.201 151 HG22 THR 16 2HG2 THR 16 5.742 -2.690 -7.708 152 HG23 THR 16 3HG2 THR 16 4.107 -2.397 -8.300 153 H SER 17 H SER 17 1.032 -0.724 -6.029 154 HA SER 17 HA SER 17 2.665 1.553 -5.648 155 HB2 SER 17 2HB SER 17 3.340 1.461 -7.900 156 HB3 SER 17 3HB SER 17 1.740 0.966 -8.453 157 HG SER 17 HG SER 17 1.143 2.987 -8.525 158 H LEU 18 H LEU 18 1.050 1.711 -4.004 159 HA LEU 18 HA LEU 18 -1.607 2.534 -4.956 160 HB2 LEU 18 2HB LEU 18 -0.744 0.877 -2.817 161 HB3 LEU 18 3HB LEU 18 -1.522 2.299 -2.125 162 HG LEU 18 HG LEU 18 -2.746 0.339 -4.065 163 HD11 LEU 18 1HD1 LEU 18 -3.006 0.819 -1.124 164 HD12 LEU 18 2HD1 LEU 18 -2.793 -0.699 -1.996 165 HD13 LEU 18 3HD1 LEU 18 -4.345 0.136 -2.047 166 HD21 LEU 18 1HD2 LEU 18 -4.827 1.771 -3.325 167 HD22 LEU 18 2HD2 LEU 18 -3.818 2.263 -4.685 168 HD23 LEU 18 3HD2 LEU 18 -3.604 3.023 -3.108 169 H THR 19 H THR 19 -2.600 4.401 -4.057 170 HA THR 19 HA THR 19 -0.740 6.555 -3.609 171 HB THR 19 HB THR 19 -3.610 7.101 -3.204 172 HG1 THR 19 HG1 THR 19 -2.643 6.286 -5.760 173 HG21 THR 19 1HG2 THR 19 -2.944 9.122 -3.870 174 HG22 THR 19 2HG2 THR 19 -2.320 8.471 -5.386 175 HG23 THR 19 3HG2 THR 19 -1.298 8.496 -3.949 176 H ASP 20 H ASP 20 -1.582 8.248 -1.873 177 HA ASP 20 HA ASP 20 -1.996 6.790 0.654 178 HB2 ASP 20 2HB ASP 20 -0.630 8.918 1.533 179 HB3 ASP 20 3HB ASP 20 0.164 7.432 1.018 180 H ASP 21 H ASP 21 -3.321 8.918 -1.450 181 HA ASP 21 HA ASP 21 -4.490 10.690 0.552 182 HB2 ASP 21 2HB ASP 21 -4.910 10.638 -2.444 183 HB3 ASP 21 3HB ASP 21 -5.437 11.903 -1.337 184 H ASN 22 H ASN 22 -5.554 8.350 -1.905 185 HA ASN 22 HA ASN 22 -8.092 8.097 -0.427 186 HB2 ASN 22 2HB ASN 22 -7.526 8.384 -3.299 187 HB3 ASN 22 3HB ASN 22 -8.654 7.089 -2.911 188 HD21 ASN 22 1HD2 ASN 22 -10.165 7.945 -0.963 189 HD22 ASN 22 2HD2 ASN 22 -10.987 9.411 -1.364 190 H THR 23 H THR 23 -5.840 6.326 -2.540 191 HA THR 23 HA THR 23 -5.154 4.155 -2.556 192 HB THR 23 HB THR 23 -6.173 4.194 0.290 193 HG1 THR 23 HG1 THR 23 -3.850 4.327 0.680 194 HG21 THR 23 1HG2 THR 23 -4.221 2.259 0.124 195 HG22 THR 23 2HG2 THR 23 -5.135 2.027 -1.366 196 HG23 THR 23 3HG2 THR 23 -5.958 1.964 0.193 197 H ILE 24 H ILE 24 -7.807 3.557 -0.311 198 HA ILE 24 HA ILE 24 -8.841 1.398 -1.767 199 HB ILE 24 HB ILE 24 -10.213 3.129 0.293 200 HG12 ILE 24 2HG1 ILE 24 -9.705 0.783 1.526 201 HG13 ILE 24 3HG1 ILE 24 -8.347 0.827 0.406 202 HG21 ILE 24 1HG2 ILE 24 -11.731 1.188 0.576 203 HG22 ILE 24 2HG2 ILE 24 -11.879 1.970 -0.997 204 HG23 ILE 24 3HG2 ILE 24 -10.996 0.451 -0.847 205 HD11 ILE 24 1HD1 ILE 24 -8.693 3.365 1.726 206 HD12 ILE 24 2HD1 ILE 24 -8.509 2.049 2.885 207 HD13 ILE 24 3HD1 ILE 24 -7.279 2.314 1.649 208 H ALA 25 H ALA 25 -10.326 4.614 -1.309 209 HA ALA 25 HA ALA 25 -12.395 4.336 -3.126 210 HB1 ALA 25 1HB ALA 25 -11.602 6.301 -1.458 211 HB2 ALA 25 2HB ALA 25 -11.174 7.012 -3.015 212 HB3 ALA 25 3HB ALA 25 -12.834 6.505 -2.704 213 H GLU 26 H GLU 26 -9.047 5.290 -3.681 214 HA GLU 26 HA GLU 26 -9.392 6.046 -6.396 215 HB2 GLU 26 2HB GLU 26 -7.415 6.459 -4.678 216 HB3 GLU 26 3HB GLU 26 -6.776 4.999 -5.418 217 HG2 GLU 26 2HG GLU 26 -5.812 6.672 -6.675 218 HG3 GLU 26 3HG GLU 26 -7.205 6.210 -7.651 219 H LEU 27 H LEU 27 -8.485 3.032 -4.799 220 HA LEU 27 HA LEU 27 -7.834 1.600 -7.150 221 HB2 LEU 27 2HB LEU 27 -7.960 1.103 -4.353 222 HB3 LEU 27 3HB LEU 27 -8.850 -0.174 -5.181 223 HG LEU 27 HG LEU 27 -6.452 -0.695 -4.708 224 HD11 LEU 27 1HD1 LEU 27 -6.024 -1.680 -6.878 225 HD12 LEU 27 2HD1 LEU 27 -7.210 -0.611 -7.625 226 HD13 LEU 27 3HD1 LEU 27 -7.732 -1.835 -6.468 227 HD21 LEU 27 1HD2 LEU 27 -4.703 0.416 -5.733 228 HD22 LEU 27 2HD2 LEU 27 -5.789 1.741 -5.312 229 HD23 LEU 27 3HD2 LEU 27 -5.742 1.131 -6.967 230 H LYS 28 H LYS 28 -10.791 1.679 -5.171 231 HA LYS 28 HA LYS 28 -12.280 -0.062 -6.823 232 HB2 LYS 28 2HB LYS 28 -14.234 0.745 -5.593 233 HB3 LYS 28 3HB LYS 28 -12.901 0.403 -4.498 234 HG2 LYS 28 2HG LYS 28 -12.367 2.844 -4.518 235 HG3 LYS 28 3HG LYS 28 -13.858 3.098 -5.427 236 HD2 LYS 28 2HD LYS 28 -13.639 1.858 -2.683 237 HD3 LYS 28 3HD LYS 28 -14.205 3.491 -3.042 238 HE2 LYS 28 2HE LYS 28 -15.498 0.898 -3.876 239 HE3 LYS 28 3HE LYS 28 -16.101 2.044 -2.679 240 HZ1 LYS 28 1HZ LYS 28 -17.305 2.685 -4.477 241 HZ2 LYS 28 2HZ LYS 28 -16.128 2.216 -5.598 242 HZ3 LYS 28 3HZ LYS 28 -15.945 3.658 -4.732 243 H GLY 29 H GLY 29 -11.955 3.460 -6.732 244 HA2 GLY 29 2HA GLY 29 -13.946 4.000 -8.679 245 HA3 GLY 29 3HA GLY 29 -12.661 5.093 -8.187 246 H LYS 30 H LYS 30 -10.520 3.264 -8.900 247 HA LYS 30 HA LYS 30 -10.292 3.978 -11.663 248 HB2 LYS 30 2HB LYS 30 -8.549 2.651 -9.640 249 HB3 LYS 30 3HB LYS 30 -8.163 2.419 -11.341 250 HG2 LYS 30 2HG LYS 30 -8.680 5.202 -10.601 251 HG3 LYS 30 3HG LYS 30 -7.284 4.479 -9.798 252 HD2 LYS 30 2HD LYS 30 -6.554 3.692 -12.100 253 HD3 LYS 30 3HD LYS 30 -7.793 4.769 -12.750 254 HE2 LYS 30 2HE LYS 30 -6.685 6.670 -12.067 255 HE3 LYS 30 3HE LYS 30 -5.819 5.832 -10.781 256 HZ1 LYS 30 1HZ LYS 30 -4.143 5.345 -12.142 257 HZ2 LYS 30 2HZ LYS 30 -4.789 6.499 -13.196 258 HZ3 LYS 30 3HZ LYS 30 -5.164 4.863 -13.402 259 H LEU 31 H LEU 31 -11.044 1.061 -9.882 260 HA LEU 31 HA LEU 31 -10.732 -0.753 -12.042 261 HB2 LEU 31 2HB LEU 31 -10.926 -1.168 -9.477 262 HB3 LEU 31 3HB LEU 31 -12.657 -1.213 -9.801 263 HG LEU 31 HG LEU 31 -10.862 -2.962 -11.413 264 HD11 LEU 31 1HD1 LEU 31 -9.983 -3.515 -9.321 265 HD12 LEU 31 2HD1 LEU 31 -11.247 -4.714 -9.590 266 HD13 LEU 31 3HD1 LEU 31 -11.543 -3.346 -8.517 267 HD21 LEU 31 1HD2 LEU 31 -12.757 -4.232 -11.721 268 HD22 LEU 31 2HD2 LEU 31 -13.443 -2.612 -11.595 269 HD23 LEU 31 3HD2 LEU 31 -13.491 -3.701 -10.208 270 H GLU 32 H GLU 32 -13.511 1.006 -10.725 271 HA GLU 32 HA GLU 32 -15.432 -0.147 -12.460 272 HB2 GLU 32 2HB GLU 32 -16.862 1.766 -11.772 273 HB3 GLU 32 3HB GLU 32 -16.146 0.909 -10.414 274 HG2 GLU 32 2HG GLU 32 -14.421 2.653 -10.251 275 HG3 GLU 32 3HG GLU 32 -15.205 3.525 -11.567 276 H GLU 33 H GLU 33 -13.476 2.793 -12.625 277 HA GLU 33 HA GLU 33 -14.665 3.809 -14.990 278 HB2 GLU 33 2HB GLU 33 -13.167 5.004 -13.238 279 HB3 GLU 33 3HB GLU 33 -11.827 4.380 -14.191 280 HG2 GLU 33 2HG GLU 33 -12.148 6.503 -15.045 281 HG3 GLU 33 3HG GLU 33 -13.007 5.474 -16.190 282 H SER 34 H SER 34 -12.001 1.615 -14.363 283 HA SER 34 HA SER 34 -10.878 1.601 -16.945 284 HB2 SER 34 2HB SER 34 -9.666 -0.322 -16.256 285 HB3 SER 34 3HB SER 34 -9.878 0.646 -14.797 286 HG SER 34 HG SER 34 -10.446 -1.807 -14.947 287 H GLU 35 H GLU 35 -13.386 -0.407 -15.452 288 HA GLU 35 HA GLU 35 -13.767 -1.979 -17.833 289 HB2 GLU 35 2HB GLU 35 -15.113 -1.831 -15.157 290 HB3 GLU 35 3HB GLU 35 -15.870 -2.712 -16.477 291 HG2 GLU 35 2HG GLU 35 -13.085 -3.239 -15.473 292 HG3 GLU 35 3HG GLU 35 -14.518 -4.120 -14.946 293 H GLY 36 H GLY 36 -14.627 1.108 -16.988 294 HA2 GLY 36 2HA GLY 36 -15.844 2.562 -18.386 295 HA3 GLY 36 3HA GLY 36 -16.663 1.172 -19.082 296 H ILE 37 H ILE 37 -17.632 -0.085 -16.832 297 HA ILE 37 HA ILE 37 -19.244 1.928 -15.440 298 HB ILE 37 HB ILE 37 -21.255 0.403 -15.747 299 HG12 ILE 37 2HG1 ILE 37 -19.612 -0.614 -18.075 300 HG13 ILE 37 3HG1 ILE 37 -19.933 -1.531 -16.607 301 HG21 ILE 37 1HG2 ILE 37 -21.796 1.363 -17.965 302 HG22 ILE 37 2HG2 ILE 37 -21.132 2.544 -16.837 303 HG23 ILE 37 3HG2 ILE 37 -20.116 1.878 -18.115 304 HD11 ILE 37 1HD1 ILE 37 -22.443 -0.801 -17.400 305 HD12 ILE 37 2HD1 ILE 37 -21.616 -1.070 -18.935 306 HD13 ILE 37 3HD1 ILE 37 -21.670 -2.353 -17.726 307 HA PRO 38 HA PRO 38 -18.604 -0.558 -11.878 308 HB2 PRO 38 2HB PRO 38 -20.891 -0.094 -10.491 309 HB3 PRO 38 3HB PRO 38 -19.616 1.117 -10.674 310 HG2 PRO 38 2HG PRO 38 -22.185 0.829 -12.183 311 HG3 PRO 38 3HG PRO 38 -21.422 2.296 -11.542 312 HD2 PRO 38 2HD PRO 38 -21.256 1.588 -14.151 313 HD3 PRO 38 3HD PRO 38 -19.954 2.457 -13.312 314 H GLY 39 H GLY 39 -18.892 -2.633 -11.250 315 HA2 GLY 39 2HA GLY 39 -20.387 -4.423 -12.787 316 HA3 GLY 39 3HA GLY 39 -19.708 -4.777 -11.205 317 H ASN 40 H ASN 40 -21.120 -3.056 -9.589 318 HA ASN 40 HA ASN 40 -23.855 -2.871 -9.938 319 HB2 ASN 40 2HB ASN 40 -23.023 -5.583 -9.541 320 HB3 ASN 40 3HB ASN 40 -23.949 -5.063 -8.136 321 HD21 ASN 40 1HD2 ASN 40 -26.050 -4.043 -8.583 322 HD22 ASN 40 2HD2 ASN 40 -26.978 -4.636 -9.914 323 H MET 41 H MET 41 -22.115 -4.406 -7.237 324 HA MET 41 HA MET 41 -22.945 -2.165 -5.534 325 HB2 MET 41 2HB MET 41 -22.367 -5.042 -5.057 326 HB3 MET 41 3HB MET 41 -21.990 -3.919 -3.757 327 HG2 MET 41 2HG MET 41 -24.398 -3.059 -4.121 328 HG3 MET 41 3HG MET 41 -24.638 -4.588 -4.963 329 HE1 MET 41 1HE MET 41 -25.880 -4.154 -0.999 330 HE2 MET 41 2HE MET 41 -24.598 -2.973 -1.270 331 HE3 MET 41 3HE MET 41 -25.903 -3.144 -2.446 332 H ILE 42 H ILE 42 -20.130 -3.990 -6.592 333 HA ILE 42 HA ILE 42 -17.888 -3.642 -6.358 334 HB ILE 42 HB ILE 42 -18.529 -0.710 -6.157 335 HG12 ILE 42 2HG1 ILE 42 -18.215 -1.142 -8.830 336 HG13 ILE 42 3HG1 ILE 42 -19.084 -2.598 -8.355 337 HG21 ILE 42 1HG2 ILE 42 -16.154 -2.207 -6.417 338 HG22 ILE 42 2HG2 ILE 42 -16.422 -1.393 -7.957 339 HG23 ILE 42 3HG2 ILE 42 -16.347 -0.455 -6.466 340 HD11 ILE 42 1HD1 ILE 42 -20.479 -0.591 -7.096 341 HD12 ILE 42 2HD1 ILE 42 -20.030 0.125 -8.644 342 HD13 ILE 42 3HD1 ILE 42 -20.929 -1.392 -8.601 343 H ARG 43 H ARG 43 -18.823 -4.433 -4.006 344 HA ARG 43 HA ARG 43 -17.608 -2.603 -2.040 345 HB2 ARG 43 2HB ARG 43 -20.176 -3.672 -2.043 346 HB3 ARG 43 3HB ARG 43 -19.297 -4.680 -0.902 347 HG2 ARG 43 2HG ARG 43 -18.699 -2.780 0.420 348 HG3 ARG 43 3HG ARG 43 -19.357 -1.675 -0.788 349 HD2 ARG 43 2HD ARG 43 -20.829 -2.053 1.200 350 HD3 ARG 43 3HD ARG 43 -21.583 -2.405 -0.355 351 HE ARG 43 HE ARG 43 -20.412 -4.729 0.805 352 HH11 ARG 43 1HH1 ARG 43 -23.194 -2.639 0.934 353 HH12 ARG 43 2HH1 ARG 43 -24.251 -3.867 1.547 354 HH21 ARG 43 1HH2 ARG 43 -21.794 -6.354 1.613 355 HH22 ARG 43 2HH2 ARG 43 -23.453 -5.979 1.934 356 H LEU 44 H LEU 44 -15.722 -3.270 -1.280 357 HA LEU 44 HA LEU 44 -15.091 -6.139 -1.368 358 HB2 LEU 44 2HB LEU 44 -12.737 -5.423 -1.205 359 HB3 LEU 44 3HB LEU 44 -13.558 -4.803 -2.635 360 HG LEU 44 HG LEU 44 -13.422 -3.049 -0.237 361 HD11 LEU 44 1HD1 LEU 44 -11.201 -3.280 -0.097 362 HD12 LEU 44 2HD1 LEU 44 -11.165 -2.339 -1.588 363 HD13 LEU 44 3HD1 LEU 44 -11.087 -4.099 -1.655 364 HD21 LEU 44 1HD2 LEU 44 -14.056 -1.512 -1.711 365 HD22 LEU 44 2HD2 LEU 44 -14.252 -2.811 -2.887 366 HD23 LEU 44 3HD2 LEU 44 -12.731 -1.922 -2.801 367 H VAL 45 H VAL 45 -13.913 -7.077 0.410 368 HA VAL 45 HA VAL 45 -14.490 -5.745 2.976 369 HB VAL 45 HB VAL 45 -14.276 -8.721 2.509 370 HG11 VAL 45 1HG1 VAL 45 -13.755 -7.781 4.796 371 HG12 VAL 45 2HG1 VAL 45 -15.442 -7.267 4.872 372 HG13 VAL 45 3HG1 VAL 45 -15.046 -8.981 4.731 373 HG21 VAL 45 1HG2 VAL 45 -16.873 -8.269 3.173 374 HG22 VAL 45 2HG2 VAL 45 -16.521 -6.859 2.174 375 HG23 VAL 45 3HG2 VAL 45 -16.283 -8.482 1.525 376 H TYR 46 H TYR 46 -12.741 -5.081 4.016 377 HA TYR 46 HA TYR 46 -10.162 -6.341 3.432 378 HB2 TYR 46 2HB TYR 46 -10.850 -3.699 3.569 379 HB3 TYR 46 3HB TYR 46 -10.194 -3.973 5.179 380 HD1 TYR 46 HD1 TYR 46 -9.226 -2.451 2.461 381 HD2 TYR 46 HD2 TYR 46 -8.054 -5.919 4.628 382 HE1 TYR 46 HE1 TYR 46 -6.947 -2.235 1.562 383 HE2 TYR 46 HE2 TYR 46 -5.771 -5.712 3.736 384 HH TYR 46 HH TYR 46 -4.942 -3.210 1.372 385 H GLN 47 H GLN 47 -9.494 -7.871 4.770 386 HA GLN 47 HA GLN 47 -9.163 -9.127 6.639 387 HB2 GLN 47 2HB GLN 47 -8.374 -6.567 7.232 388 HB3 GLN 47 3HB GLN 47 -9.489 -6.920 8.545 389 HG2 GLN 47 2HG GLN 47 -7.563 -7.679 9.469 390 HG3 GLN 47 3HG GLN 47 -8.101 -9.154 8.666 391 HE21 GLN 47 1HE2 GLN 47 -5.825 -6.534 8.635 392 HE22 GLN 47 2HE2 GLN 47 -4.739 -7.220 7.481 393 H GLY 48 H GLY 48 -11.866 -8.847 5.715 394 HA2 GLY 48 2HA GLY 48 -13.894 -9.699 6.431 395 HA3 GLY 48 3HA GLY 48 -13.216 -9.853 8.045 396 H LYS 49 H LYS 49 -12.729 -6.756 6.865 397 HA LYS 49 HA LYS 49 -15.122 -5.781 8.284 398 HB2 LYS 49 2HB LYS 49 -12.377 -5.234 8.742 399 HB3 LYS 49 3HB LYS 49 -13.096 -3.764 8.098 400 HG2 LYS 49 2HG LYS 49 -13.924 -3.309 10.095 401 HG3 LYS 49 3HG LYS 49 -14.880 -4.791 10.033 402 HD2 LYS 49 2HD LYS 49 -12.022 -4.611 10.985 403 HD3 LYS 49 3HD LYS 49 -13.438 -4.658 12.037 404 HE2 LYS 49 2HE LYS 49 -12.591 -6.801 10.090 405 HE3 LYS 49 3HE LYS 49 -12.417 -6.863 11.843 406 HZ1 LYS 49 1HZ LYS 49 -15.027 -6.377 11.604 407 HZ2 LYS 49 2HZ LYS 49 -14.371 -7.932 11.714 408 HZ3 LYS 49 3HZ LYS 49 -14.767 -7.287 10.201 409 H GLN 50 H GLN 50 -15.887 -3.624 7.572 410 HA GLN 50 HA GLN 50 -15.508 -3.284 4.669 411 HB2 GLN 50 2HB GLN 50 -17.997 -2.778 6.308 412 HB3 GLN 50 3HB GLN 50 -17.832 -2.455 4.588 413 HG2 GLN 50 2HG GLN 50 -17.137 -5.036 4.611 414 HG3 GLN 50 3HG GLN 50 -18.202 -5.009 6.015 415 HE21 GLN 50 1HE2 GLN 50 -20.371 -4.753 5.736 416 HE22 GLN 50 2HE2 GLN 50 -21.140 -4.730 4.189 417 H LEU 51 H LEU 51 -16.332 -0.992 3.994 418 HA LEU 51 HA LEU 51 -15.868 1.235 3.959 419 HB2 LEU 51 2HB LEU 51 -15.987 1.272 6.945 420 HB3 LEU 51 3HB LEU 51 -16.543 2.484 5.792 421 HG LEU 51 HG LEU 51 -17.877 -0.161 6.373 422 HD11 LEU 51 1HD1 LEU 51 -18.093 1.490 8.178 423 HD12 LEU 51 2HD1 LEU 51 -19.631 1.178 7.374 424 HD13 LEU 51 3HD1 LEU 51 -18.735 2.656 7.021 425 HD21 LEU 51 1HD2 LEU 51 -18.717 0.097 4.317 426 HD22 LEU 51 2HD2 LEU 51 -18.146 1.761 4.191 427 HD23 LEU 51 3HD2 LEU 51 -19.664 1.409 5.017 428 H GLU 52 H GLU 52 -13.756 1.193 3.252 429 HA GLU 52 HA GLU 52 -11.707 1.468 5.352 430 HB2 GLU 52 2HB GLU 52 -11.360 0.296 2.587 431 HB3 GLU 52 3HB GLU 52 -10.082 0.509 3.776 432 HG2 GLU 52 2HG GLU 52 -12.382 -1.403 3.814 433 HG3 GLU 52 3HG GLU 52 -10.656 -1.739 3.933 434 H ASP 53 H ASP 53 -13.415 3.096 3.078 435 HA ASP 53 HA ASP 53 -11.591 4.605 1.633 436 HB2 ASP 53 2HB ASP 53 -14.154 4.573 1.478 437 HB3 ASP 53 3HB ASP 53 -14.125 5.774 2.766 438 H GLU 54 H GLU 54 -12.749 5.032 4.935 439 HA GLU 54 HA GLU 54 -11.546 7.559 5.372 440 HB2 GLU 54 2HB GLU 54 -13.212 5.834 6.809 441 HB3 GLU 54 3HB GLU 54 -11.750 5.956 7.778 442 HG2 GLU 54 2HG GLU 54 -12.807 7.746 8.627 443 HG3 GLU 54 3HG GLU 54 -12.119 8.546 7.215 444 H LYS 55 H LYS 55 -10.297 4.373 5.245 445 HA LYS 55 HA LYS 55 -7.848 5.149 6.660 446 HB2 LYS 55 2HB LYS 55 -8.966 2.486 5.801 447 HB3 LYS 55 3HB LYS 55 -7.301 2.666 6.338 448 HG2 LYS 55 2HG LYS 55 -8.314 2.047 8.288 449 HG3 LYS 55 3HG LYS 55 -8.416 3.804 8.416 450 HD2 LYS 55 2HD LYS 55 -10.706 3.261 7.077 451 HD3 LYS 55 3HD LYS 55 -10.544 1.801 8.057 452 HE2 LYS 55 2HE LYS 55 -9.978 4.166 9.611 453 HE3 LYS 55 3HE LYS 55 -11.568 4.273 8.856 454 HZ1 LYS 55 1HZ LYS 55 -10.569 2.149 10.667 455 HZ2 LYS 55 2HZ LYS 55 -11.999 2.004 9.775 456 HZ3 LYS 55 3HZ LYS 55 -11.848 3.222 10.939 457 H ARG 56 H ARG 56 -8.384 6.306 4.121 458 HA ARG 56 HA ARG 56 -7.294 5.101 1.907 459 HB2 ARG 56 2HB ARG 56 -6.486 7.549 1.385 460 HB3 ARG 56 3HB ARG 56 -8.201 7.161 1.429 461 HG2 ARG 56 2HG ARG 56 -7.277 7.901 4.047 462 HG3 ARG 56 3HG ARG 56 -6.866 9.146 2.865 463 HD2 ARG 56 2HD ARG 56 -9.501 8.294 2.306 464 HD3 ARG 56 3HD ARG 56 -9.396 8.552 4.047 465 HE ARG 56 HE ARG 56 -9.439 10.552 2.039 466 HH11 ARG 56 1HH1 ARG 56 -8.017 9.771 5.119 467 HH12 ARG 56 2HH1 ARG 56 -7.797 11.425 5.584 468 HH21 ARG 56 1HH2 ARG 56 -9.156 12.734 2.640 469 HH22 ARG 56 2HH2 ARG 56 -8.446 13.110 4.174 470 H LEU 57 H LEU 57 -5.453 7.414 3.902 471 HA LEU 57 HA LEU 57 -2.949 6.524 2.897 472 HB2 LEU 57 2HB LEU 57 -3.668 8.791 3.990 473 HB3 LEU 57 3HB LEU 57 -3.204 7.985 5.487 474 HG LEU 57 HG LEU 57 -1.275 8.080 3.207 475 HD11 LEU 57 1HD1 LEU 57 -0.976 10.242 5.138 476 HD12 LEU 57 2HD1 LEU 57 -2.412 10.399 4.127 477 HD13 LEU 57 3HD1 LEU 57 -0.821 10.258 3.381 478 HD21 LEU 57 1HD2 LEU 57 -0.387 6.800 4.886 479 HD22 LEU 57 2HD2 LEU 57 -1.207 7.703 6.161 480 HD23 LEU 57 3HD2 LEU 57 0.204 8.394 5.358 481 H LYS 58 H LYS 58 -4.838 5.789 5.764 482 HA LYS 58 HA LYS 58 -2.891 4.455 7.261 483 HB2 LYS 58 2HB LYS 58 -5.718 4.844 7.369 484 HB3 LYS 58 3HB LYS 58 -5.384 3.138 7.634 485 HG2 LYS 58 2HG LYS 58 -3.553 4.728 9.157 486 HG3 LYS 58 3HG LYS 58 -5.212 5.234 9.485 487 HD2 LYS 58 2HD LYS 58 -5.740 2.762 9.783 488 HD3 LYS 58 3HD LYS 58 -3.994 2.503 9.808 489 HE2 LYS 58 2HE LYS 58 -3.946 3.052 11.958 490 HE3 LYS 58 3HE LYS 58 -4.578 4.650 11.565 491 HZ1 LYS 58 1HZ LYS 58 -6.355 2.306 11.873 492 HZ2 LYS 58 2HZ LYS 58 -6.762 3.947 11.922 493 HZ3 LYS 58 3HZ LYS 58 -5.894 3.253 13.198 494 H ASP 59 H ASP 59 -4.652 3.484 4.442 495 HA ASP 59 HA ASP 59 -4.063 0.673 4.751 496 HB2 ASP 59 2HB ASP 59 -5.554 2.353 2.816 497 HB3 ASP 59 3HB ASP 59 -4.854 0.866 2.182 498 H TYR 60 H TYR 60 -2.526 3.436 3.430 499 HA TYR 60 HA TYR 60 -0.884 2.040 1.535 500 HB2 TYR 60 2HB TYR 60 -1.441 4.416 1.238 501 HB3 TYR 60 3HB TYR 60 -0.574 4.808 2.718 502 HD1 TYR 60 HD1 TYR 60 0.116 2.892 -0.426 503 HD2 TYR 60 HD2 TYR 60 1.497 5.753 2.405 504 HE1 TYR 60 HE1 TYR 60 2.190 3.163 -1.720 505 HE2 TYR 60 HE2 TYR 60 3.574 6.033 1.118 506 HH TYR 60 HH TYR 60 4.011 5.363 -1.838 507 H GLN 61 H GLN 61 -0.781 2.623 4.911 508 HA GLN 61 HA GLN 61 2.070 2.328 5.190 509 HB2 GLN 61 2HB GLN 61 0.774 3.664 6.793 510 HB3 GLN 61 3HB GLN 61 -0.123 2.228 7.269 511 HG2 GLN 61 2HG GLN 61 2.673 1.711 7.510 512 HG3 GLN 61 3HG GLN 61 2.280 3.215 8.341 513 HE21 GLN 61 1HE2 GLN 61 0.275 0.350 7.890 514 HE22 GLN 61 2HE2 GLN 61 0.108 -0.019 9.569 515 H MET 62 H MET 62 -0.511 0.219 4.698 516 HA MET 62 HA MET 62 0.553 -2.009 6.187 517 HB2 MET 62 2HB MET 62 -1.509 -2.215 4.010 518 HB3 MET 62 3HB MET 62 -1.310 -3.229 5.433 519 HG2 MET 62 2HG MET 62 -2.184 -0.350 5.481 520 HG3 MET 62 3HG MET 62 -3.267 -1.739 5.555 521 HE1 MET 62 1HE MET 62 -3.204 -3.502 7.220 522 HE2 MET 62 2HE MET 62 -1.555 -3.759 7.788 523 HE3 MET 62 3HE MET 62 -2.813 -3.269 8.924 524 H SER 63 H SER 63 0.049 -1.374 2.711 525 HA SER 63 HA SER 63 1.073 -2.206 0.853 526 HB2 SER 63 2HB SER 63 3.559 -2.415 2.552 527 HB3 SER 63 3HB SER 63 3.448 -2.099 0.820 528 HG SER 63 HG SER 63 3.813 -0.259 2.380 529 H ALA 64 H ALA 64 -0.218 -4.112 2.572 530 HA ALA 64 HA ALA 64 0.605 -6.506 1.380 531 HB1 ALA 64 1HB ALA 64 1.728 -5.986 4.107 532 HB2 ALA 64 2HB ALA 64 1.370 -7.630 3.576 533 HB3 ALA 64 3HB ALA 64 2.525 -6.645 2.678 534 H GLY 65 H GLY 65 -1.826 -5.268 1.717 535 HA2 GLY 65 2HA GLY 65 -3.196 -7.046 3.642 536 HA3 GLY 65 3HA GLY 65 -3.753 -5.424 3.260 537 H ALA 66 H ALA 66 -4.204 -8.650 2.637 538 HA ALA 66 HA ALA 66 -4.824 -8.702 -0.103 539 HB1 ALA 66 1HB ALA 66 -4.772 -10.546 1.934 540 HB2 ALA 66 2HB ALA 66 -6.485 -10.456 1.524 541 HB3 ALA 66 3HB ALA 66 -5.299 -10.849 0.279 542 H THR 67 H THR 67 -6.597 -8.155 -1.248 543 HA THR 67 HA THR 67 -8.915 -7.109 0.242 544 HB THR 67 HB THR 67 -8.862 -5.878 -2.302 545 HG1 THR 67 HG1 THR 67 -6.766 -4.732 -1.922 546 HG21 THR 67 1HG2 THR 67 -8.873 -3.859 -1.057 547 HG22 THR 67 2HG2 THR 67 -8.064 -4.618 0.315 548 HG23 THR 67 3HG2 THR 67 -9.731 -5.044 -0.073 549 H PHE 68 H PHE 68 -10.926 -7.664 -0.469 550 HA PHE 68 HA PHE 68 -11.098 -9.316 -2.897 551 HB2 PHE 68 2HB PHE 68 -11.149 -10.885 -1.092 552 HB3 PHE 68 3HB PHE 68 -12.289 -9.897 -0.185 553 HD1 PHE 68 HD1 PHE 68 -14.559 -10.320 -0.332 554 HD2 PHE 68 HD2 PHE 68 -11.960 -11.809 -3.356 555 HE1 PHE 68 HE1 PHE 68 -16.432 -11.572 -1.321 556 HE2 PHE 68 HE2 PHE 68 -13.829 -13.062 -4.350 557 HZ PHE 68 HZ PHE 68 -16.069 -12.945 -3.333 558 H HIS 69 H HIS 69 -12.357 -8.290 -4.294 559 HA HIS 69 HA HIS 69 -14.403 -6.447 -3.359 560 HB2 HIS 69 2HB HIS 69 -13.313 -7.088 -6.100 561 HB3 HIS 69 3HB HIS 69 -14.664 -5.988 -5.841 562 HD1 HIS 69 HD1 HIS 69 -11.427 -6.191 -3.867 563 HD2 HIS 69 HD2 HIS 69 -13.517 -3.572 -6.322 564 HE1 HIS 69 HE1 HIS 69 -10.133 -4.036 -3.806 565 H MET 70 H MET 70 -16.594 -6.630 -3.787 566 HA MET 70 HA MET 70 -17.497 -9.221 -4.852 567 HB2 MET 70 2HB MET 70 -17.709 -9.269 -2.427 568 HB3 MET 70 3HB MET 70 -18.596 -7.751 -2.450 569 HG2 MET 70 2HG MET 70 -20.507 -8.821 -2.732 570 HG3 MET 70 3HG MET 70 -19.889 -9.622 -4.174 571 HE1 MET 70 1HE MET 70 -21.397 -11.561 -0.687 572 HE2 MET 70 2HE MET 70 -20.312 -10.326 -0.048 573 HE3 MET 70 3HE MET 70 -21.538 -9.892 -1.240 574 H VAL 71 H VAL 71 -19.073 -9.131 -6.341 575 HA VAL 71 HA VAL 71 -20.473 -6.564 -6.716 576 HB VAL 71 HB VAL 71 -19.646 -8.417 -8.950 577 HG11 VAL 71 1HG1 VAL 71 -21.616 -7.060 -9.421 578 HG12 VAL 71 2HG1 VAL 71 -20.731 -5.602 -8.968 579 HG13 VAL 71 3HG1 VAL 71 -20.240 -6.527 -10.387 580 HG21 VAL 71 1HG2 VAL 71 -18.167 -6.219 -9.372 581 HG22 VAL 71 2HG2 VAL 71 -18.203 -6.214 -7.609 582 HG23 VAL 71 3HG2 VAL 71 -17.581 -7.620 -8.474 583 H VAL 72 H VAL 72 -22.530 -6.872 -6.173 584 HA VAL 72 HA VAL 72 -23.788 -9.470 -6.579 585 HB VAL 72 HB VAL 72 -25.204 -7.092 -5.428 586 HG11 VAL 72 1HG1 VAL 72 -26.604 -8.631 -4.449 587 HG12 VAL 72 2HG1 VAL 72 -26.174 -9.471 -5.941 588 HG13 VAL 72 3HG1 VAL 72 -25.375 -9.896 -4.427 589 HG21 VAL 72 1HG2 VAL 72 -23.215 -8.841 -3.986 590 HG22 VAL 72 2HG2 VAL 72 -23.089 -7.104 -4.267 591 HG23 VAL 72 3HG2 VAL 72 -24.341 -7.736 -3.197 592 H ALA 73 H ALA 73 -24.453 -9.781 -8.620 593 HA ALA 73 HA ALA 73 -26.127 -7.685 -9.841 594 HB1 ALA 73 1HB ALA 73 -25.217 -8.055 -11.948 595 HB2 ALA 73 2HB ALA 73 -23.813 -8.121 -10.882 596 HB3 ALA 73 3HB ALA 73 -24.533 -9.613 -11.487 597 H LEU 74 H LEU 74 -28.129 -8.464 -9.412 598 HA LEU 74 HA LEU 74 -28.707 -11.245 -10.186 599 HB2 LEU 74 2HB LEU 74 -30.641 -11.118 -8.720 600 HB3 LEU 74 3HB LEU 74 -29.155 -10.753 -7.846 601 HG LEU 74 HG LEU 74 -30.278 -8.300 -8.752 602 HD11 LEU 74 1HD1 LEU 74 -32.354 -9.863 -8.763 603 HD12 LEU 74 2HD1 LEU 74 -32.454 -8.281 -7.991 604 HD13 LEU 74 3HD1 LEU 74 -32.237 -9.729 -7.008 605 HD21 LEU 74 1HD2 LEU 74 -28.825 -8.534 -6.832 606 HD22 LEU 74 2HD2 LEU 74 -30.015 -9.550 -6.019 607 HD23 LEU 74 3HD2 LEU 74 -30.372 -7.851 -6.330 608 H ARG 75 H ARG 75 -29.495 -7.910 -10.731 609 HA ARG 75 HA ARG 75 -31.892 -8.432 -12.228 610 HB2 ARG 75 2HB ARG 75 -30.735 -6.187 -11.054 611 HB3 ARG 75 3HB ARG 75 -30.629 -5.874 -12.781 612 HG2 ARG 75 2HG ARG 75 -32.815 -5.488 -12.953 613 HG3 ARG 75 3HG ARG 75 -33.229 -6.899 -11.977 614 HD2 ARG 75 2HD ARG 75 -33.979 -5.236 -10.601 615 HD3 ARG 75 3HD ARG 75 -32.320 -5.385 -10.021 616 HE ARG 75 HE ARG 75 -32.337 -3.488 -12.060 617 HH11 ARG 75 1HH1 ARG 75 -33.630 -3.904 -8.855 618 HH12 ARG 75 2HH1 ARG 75 -33.636 -2.209 -8.496 619 HH21 ARG 75 1HH2 ARG 75 -32.339 -1.254 -11.600 620 HH22 ARG 75 2HH2 ARG 75 -32.902 -0.702 -10.058 621 H ALA 76 H ALA 76 -28.662 -7.206 -13.124 622 HA ALA 76 HA ALA 76 -28.661 -8.775 -15.538 623 HB1 ALA 76 1HB ALA 76 -28.441 -6.859 -17.069 624 HB2 ALA 76 2HB ALA 76 -30.024 -6.925 -16.294 625 HB3 ALA 76 3HB ALA 76 -28.816 -5.770 -15.733 626 H GLY 77 H GLY 77 -26.622 -8.662 -16.685 627 HA2 GLY 77 2HA GLY 77 -24.357 -7.974 -16.882 628 HA3 GLY 77 3HA GLY 77 -24.456 -7.281 -15.270 629 H CYS 78 H CYS 78 -25.210 -10.529 -16.516 630 HA CYS 78 HA CYS 78 -24.586 -12.596 -15.797 631 HB2 CYS 78 2HB CYS 78 -22.221 -11.070 -16.248 632 HB3 CYS 78 3HB CYS 78 -21.945 -12.097 -14.846 633 HG CYS 78 HG CYS 78 -21.140 -13.992 -16.388 Start of MODEL 6 1 H MET 1 H MET 1 1.588 0.112 0.786 2 HA MET 1 HA MET 1 1.504 0.975 -1.805 3 HB2 MET 1 2HB MET 1 3.533 0.622 -0.281 4 HB3 MET 1 3HB MET 1 3.555 -1.030 -0.886 5 HG2 MET 1 2HG MET 1 3.408 0.485 -3.180 6 HG3 MET 1 3HG MET 1 4.466 1.426 -2.131 7 HE1 MET 1 1HE MET 1 7.381 0.154 -1.614 8 HE2 MET 1 2HE MET 1 5.972 0.174 -0.554 9 HE3 MET 1 3HE MET 1 6.804 -1.346 -0.888 10 H LEU 2 H LEU 2 2.207 -2.431 -1.011 11 HA LEU 2 HA LEU 2 1.064 -3.199 -3.597 12 HB2 LEU 2 2HB LEU 2 3.276 -4.016 -3.252 13 HB3 LEU 2 3HB LEU 2 2.859 -4.636 -1.656 14 HG LEU 2 HG LEU 2 1.336 -5.783 -3.905 15 HD11 LEU 2 1HD1 LEU 2 3.114 -6.205 -5.181 16 HD12 LEU 2 2HD1 LEU 2 3.600 -7.345 -3.927 17 HD13 LEU 2 3HD1 LEU 2 4.244 -5.703 -3.923 18 HD21 LEU 2 1HD2 LEU 2 2.741 -6.882 -1.474 19 HD22 LEU 2 2HD2 LEU 2 1.823 -7.855 -2.624 20 HD23 LEU 2 3HD2 LEU 2 1.010 -6.610 -1.674 21 H LEU 3 H LEU 3 -0.884 -4.089 -3.710 22 HA LEU 3 HA LEU 3 -1.898 -5.632 -1.438 23 HB2 LEU 3 2HB LEU 3 -3.886 -4.470 -1.244 24 HB3 LEU 3 3HB LEU 3 -2.700 -3.187 -1.470 25 HG LEU 3 HG LEU 3 -4.540 -4.272 -3.603 26 HD11 LEU 3 1HD1 LEU 3 -6.070 -2.867 -2.835 27 HD12 LEU 3 2HD1 LEU 3 -4.948 -1.525 -3.052 28 HD13 LEU 3 3HD1 LEU 3 -4.996 -2.394 -1.519 29 HD21 LEU 3 1HD2 LEU 3 -3.622 -1.888 -4.501 30 HD22 LEU 3 2HD2 LEU 3 -2.930 -3.449 -4.939 31 HD23 LEU 3 3HD2 LEU 3 -2.201 -2.492 -3.649 32 H LYS 4 H LYS 4 -3.426 -7.216 -1.970 33 HA LYS 4 HA LYS 4 -3.602 -7.802 -4.851 34 HB2 LYS 4 2HB LYS 4 -2.355 -9.513 -3.732 35 HB3 LYS 4 3HB LYS 4 -3.559 -9.638 -2.456 36 HG2 LYS 4 2HG LYS 4 -4.794 -10.116 -4.994 37 HG3 LYS 4 3HG LYS 4 -3.375 -11.150 -4.810 38 HD2 LYS 4 2HD LYS 4 -5.314 -10.888 -2.551 39 HD3 LYS 4 3HD LYS 4 -5.705 -11.935 -3.918 40 HE2 LYS 4 2HE LYS 4 -4.196 -13.484 -3.313 41 HE3 LYS 4 3HE LYS 4 -2.987 -12.276 -2.881 42 HZ1 LYS 4 1HZ LYS 4 -3.439 -12.683 -0.768 43 HZ2 LYS 4 2HZ LYS 4 -4.677 -13.758 -1.184 44 HZ3 LYS 4 3HZ LYS 4 -5.016 -12.112 -0.992 45 H VAL 5 H VAL 5 -5.530 -7.319 -5.659 46 HA VAL 5 HA VAL 5 -7.904 -7.567 -3.947 47 HB VAL 5 HB VAL 5 -9.058 -6.190 -5.624 48 HG11 VAL 5 1HG1 VAL 5 -6.537 -4.711 -5.028 49 HG12 VAL 5 2HG1 VAL 5 -8.215 -4.185 -4.877 50 HG13 VAL 5 3HG1 VAL 5 -7.529 -5.299 -3.693 51 HG21 VAL 5 1HG2 VAL 5 -6.716 -6.834 -7.186 52 HG22 VAL 5 2HG2 VAL 5 -8.266 -6.173 -7.705 53 HG23 VAL 5 3HG2 VAL 5 -6.994 -5.093 -7.135 54 H LYS 6 H LYS 6 -9.377 -9.101 -4.294 55 HA LYS 6 HA LYS 6 -9.362 -10.512 -6.877 56 HB2 LYS 6 2HB LYS 6 -9.932 -12.598 -5.548 57 HB3 LYS 6 3HB LYS 6 -8.275 -12.023 -5.415 58 HG2 LYS 6 2HG LYS 6 -9.756 -10.780 -3.358 59 HG3 LYS 6 3HG LYS 6 -10.179 -12.494 -3.354 60 HD2 LYS 6 2HD LYS 6 -7.550 -12.753 -3.606 61 HD3 LYS 6 3HD LYS 6 -7.571 -11.171 -2.823 62 HE2 LYS 6 2HE LYS 6 -7.772 -12.233 -0.879 63 HE3 LYS 6 3HE LYS 6 -9.392 -12.711 -1.383 64 HZ1 LYS 6 1HZ LYS 6 -7.569 -14.468 -0.704 65 HZ2 LYS 6 2HZ LYS 6 -7.151 -14.325 -2.337 66 HZ3 LYS 6 3HZ LYS 6 -8.717 -14.798 -1.903 67 H THR 7 H THR 7 -11.269 -10.399 -7.844 68 HA THR 7 HA THR 7 -13.617 -9.586 -6.342 69 HB THR 7 HB THR 7 -14.698 -9.244 -8.450 70 HG1 THR 7 HG1 THR 7 -12.654 -10.928 -9.390 71 HG21 THR 7 1HG2 THR 7 -12.159 -8.306 -9.470 72 HG22 THR 7 2HG2 THR 7 -12.315 -7.980 -7.744 73 HG23 THR 7 3HG2 THR 7 -13.536 -7.385 -8.868 74 H VAL 8 H VAL 8 -15.743 -10.674 -6.998 75 HA VAL 8 HA VAL 8 -15.621 -13.399 -6.204 76 HB VAL 8 HB VAL 8 -17.535 -11.886 -5.701 77 HG11 VAL 8 1HG1 VAL 8 -19.014 -11.125 -7.284 78 HG12 VAL 8 2HG1 VAL 8 -17.503 -11.068 -8.193 79 HG13 VAL 8 3HG1 VAL 8 -18.624 -12.410 -8.426 80 HG21 VAL 8 1HG2 VAL 8 -17.565 -14.496 -5.854 81 HG22 VAL 8 2HG2 VAL 8 -19.068 -13.603 -5.625 82 HG23 VAL 8 3HG2 VAL 8 -18.635 -14.204 -7.225 83 H SER 9 H SER 9 -15.154 -11.926 -9.181 84 HA SER 9 HA SER 9 -16.222 -14.099 -10.781 85 HB2 SER 9 2HB SER 9 -15.110 -11.406 -11.305 86 HB3 SER 9 3HB SER 9 -14.809 -12.616 -12.553 87 HG SER 9 HG SER 9 -16.952 -11.240 -12.326 88 H ASN 10 H ASN 10 -13.785 -14.147 -8.825 89 HA ASN 10 HA ASN 10 -11.896 -15.406 -8.650 90 HB2 ASN 10 2HB ASN 10 -13.425 -16.752 -10.524 91 HB3 ASN 10 3HB ASN 10 -11.877 -16.548 -11.339 92 HD21 ASN 10 1HD2 ASN 10 -13.588 -18.106 -8.797 93 HD22 ASN 10 2HD2 ASN 10 -12.308 -19.146 -8.279 94 H LYS 11 H LYS 11 -11.896 -12.715 -9.780 95 HA LYS 11 HA LYS 11 -9.532 -12.849 -11.527 96 HB2 LYS 11 2HB LYS 11 -11.540 -10.634 -11.093 97 HB3 LYS 11 3HB LYS 11 -10.082 -10.463 -12.062 98 HG2 LYS 11 2HG LYS 11 -10.867 -12.188 -13.582 99 HG3 LYS 11 3HG LYS 11 -12.312 -12.416 -12.595 100 HD2 LYS 11 2HD LYS 11 -12.834 -9.984 -13.002 101 HD3 LYS 11 3HD LYS 11 -11.526 -9.982 -14.188 102 HE2 LYS 11 2HE LYS 11 -13.317 -12.215 -14.591 103 HE3 LYS 11 3HE LYS 11 -14.188 -10.683 -14.619 104 HZ1 LYS 11 1HZ LYS 11 -12.861 -9.896 -16.372 105 HZ2 LYS 11 2HZ LYS 11 -13.267 -11.480 -16.804 106 HZ3 LYS 11 3HZ LYS 11 -11.725 -11.137 -16.199 107 H VAL 12 H VAL 12 -7.771 -12.853 -10.255 108 HA VAL 12 HA VAL 12 -7.648 -10.938 -8.026 109 HB VAL 12 HB VAL 12 -5.796 -13.268 -8.529 110 HG11 VAL 12 1HG1 VAL 12 -6.157 -11.307 -6.295 111 HG12 VAL 12 2HG1 VAL 12 -5.461 -12.901 -5.996 112 HG13 VAL 12 3HG1 VAL 12 -4.679 -11.793 -7.123 113 HG21 VAL 12 1HG2 VAL 12 -7.556 -14.542 -7.973 114 HG22 VAL 12 2HG2 VAL 12 -7.278 -13.945 -6.337 115 HG23 VAL 12 3HG2 VAL 12 -8.482 -13.169 -7.367 116 H ILE 13 H ILE 13 -6.405 -9.197 -8.208 117 HA ILE 13 HA ILE 13 -4.186 -9.238 -10.142 118 HB ILE 13 HB ILE 13 -6.103 -6.947 -9.688 119 HG12 ILE 13 2HG1 ILE 13 -7.077 -8.690 -11.079 120 HG13 ILE 13 3HG1 ILE 13 -6.672 -7.295 -12.074 121 HG21 ILE 13 1HG2 ILE 13 -4.466 -5.619 -10.384 122 HG22 ILE 13 2HG2 ILE 13 -3.398 -6.997 -10.640 123 HG23 ILE 13 3HG2 ILE 13 -4.484 -6.472 -11.927 124 HD11 ILE 13 1HD1 ILE 13 -5.555 -8.643 -13.419 125 HD12 ILE 13 2HD1 ILE 13 -4.424 -8.975 -12.107 126 HD13 ILE 13 3HD1 ILE 13 -5.834 -10.008 -12.338 127 H GLN 14 H GLN 14 -2.335 -8.959 -9.104 128 HA GLN 14 HA GLN 14 -2.319 -7.423 -6.602 129 HB2 GLN 14 2HB GLN 14 -1.417 -9.536 -6.167 130 HB3 GLN 14 3HB GLN 14 -0.556 -9.589 -7.699 131 HG2 GLN 14 2HG GLN 14 0.185 -7.526 -5.683 132 HG3 GLN 14 3HG GLN 14 0.723 -9.191 -5.462 133 HE21 GLN 14 1HE2 GLN 14 1.278 -10.011 -7.962 134 HE22 GLN 14 2HE2 GLN 14 2.553 -9.068 -8.645 135 H ILE 15 H ILE 15 -1.572 -5.419 -6.662 136 HA ILE 15 HA ILE 15 0.423 -4.721 -8.717 137 HB ILE 15 HB ILE 15 -0.513 -2.372 -8.537 138 HG12 ILE 15 2HG1 ILE 15 -2.844 -3.846 -7.291 139 HG13 ILE 15 3HG1 ILE 15 -1.769 -2.748 -6.433 140 HG21 ILE 15 1HG2 ILE 15 -1.991 -2.734 -10.284 141 HG22 ILE 15 2HG2 ILE 15 -0.977 -4.175 -10.335 142 HG23 ILE 15 3HG2 ILE 15 -2.581 -4.251 -9.606 143 HD11 ILE 15 1HD1 ILE 15 -3.704 -2.078 -8.629 144 HD12 ILE 15 2HD1 ILE 15 -3.749 -1.558 -6.945 145 HD13 ILE 15 3HD1 ILE 15 -2.489 -0.955 -8.020 146 H THR 16 H THR 16 2.053 -3.254 -8.142 147 HA THR 16 HA THR 16 2.412 -2.914 -5.236 148 HB THR 16 HB THR 16 4.093 -4.417 -6.067 149 HG1 THR 16 HG1 THR 16 5.979 -3.118 -5.605 150 HG21 THR 16 1HG2 THR 16 4.188 -2.500 -8.308 151 HG22 THR 16 2HG2 THR 16 4.446 -4.244 -8.295 152 HG23 THR 16 3HG2 THR 16 5.742 -3.158 -7.796 153 H SER 17 H SER 17 0.993 -0.948 -6.020 154 HA SER 17 HA SER 17 2.614 1.355 -5.781 155 HB2 SER 17 2HB SER 17 3.183 1.234 -8.054 156 HB3 SER 17 3HB SER 17 1.579 0.668 -8.521 157 HG SER 17 HG SER 17 2.462 3.137 -8.544 158 H LEU 18 H LEU 18 1.080 1.539 -4.064 159 HA LEU 18 HA LEU 18 -1.629 2.311 -4.906 160 HB2 LEU 18 2HB LEU 18 -0.524 0.947 -2.558 161 HB3 LEU 18 3HB LEU 18 -1.727 2.179 -2.185 162 HG LEU 18 HG LEU 18 -2.135 -0.212 -3.981 163 HD11 LEU 18 1HD1 LEU 18 -2.396 0.185 -1.128 164 HD12 LEU 18 2HD1 LEU 18 -2.503 -1.297 -2.077 165 HD13 LEU 18 3HD1 LEU 18 -3.928 -0.279 -1.868 166 HD21 LEU 18 1HD2 LEU 18 -4.594 0.658 -3.551 167 HD22 LEU 18 2HD2 LEU 18 -3.616 1.268 -4.885 168 HD23 LEU 18 3HD2 LEU 18 -3.761 2.205 -3.398 169 H THR 19 H THR 19 -2.595 4.193 -4.017 170 HA THR 19 HA THR 19 -0.726 6.365 -3.678 171 HB THR 19 HB THR 19 -3.588 6.920 -3.235 172 HG1 THR 19 HG1 THR 19 -4.000 5.459 -4.804 173 HG21 THR 19 1HG2 THR 19 -3.018 8.911 -4.099 174 HG22 THR 19 2HG2 THR 19 -2.196 8.177 -5.475 175 HG23 THR 19 3HG2 THR 19 -1.353 8.356 -3.937 176 H ASP 20 H ASP 20 -1.544 8.101 -1.971 177 HA ASP 20 HA ASP 20 -1.917 6.709 0.599 178 HB2 ASP 20 2HB ASP 20 -0.522 8.810 1.434 179 HB3 ASP 20 3HB ASP 20 0.271 7.344 0.864 180 H ASP 21 H ASP 21 -3.246 8.814 -1.539 181 HA ASP 21 HA ASP 21 -4.392 10.617 0.449 182 HB2 ASP 21 2HB ASP 21 -4.611 10.528 -2.565 183 HB3 ASP 21 3HB ASP 21 -5.447 11.703 -1.554 184 H ASN 22 H ASN 22 -5.481 8.276 -1.996 185 HA ASN 22 HA ASN 22 -8.002 8.024 -0.491 186 HB2 ASN 22 2HB ASN 22 -7.485 8.319 -3.389 187 HB3 ASN 22 3HB ASN 22 -8.695 7.117 -2.947 188 HD21 ASN 22 1HD2 ASN 22 -10.174 8.019 -1.088 189 HD22 ASN 22 2HD2 ASN 22 -10.852 9.573 -1.421 190 H THR 23 H THR 23 -5.781 6.308 -2.676 191 HA THR 23 HA THR 23 -5.102 4.136 -2.759 192 HB THR 23 HB THR 23 -6.162 4.062 0.073 193 HG1 THR 23 HG1 THR 23 -4.300 5.471 -0.539 194 HG21 THR 23 1HG2 THR 23 -4.894 2.006 -1.641 195 HG22 THR 23 2HG2 THR 23 -6.015 1.823 -0.292 196 HG23 THR 23 3HG2 THR 23 -4.306 2.128 0.017 197 H ILE 24 H ILE 24 -7.774 3.452 -0.564 198 HA ILE 24 HA ILE 24 -8.809 1.373 -2.137 199 HB ILE 24 HB ILE 24 -10.181 2.988 0.015 200 HG12 ILE 24 2HG1 ILE 24 -9.664 0.581 1.122 201 HG13 ILE 24 3HG1 ILE 24 -8.307 0.690 0.006 202 HG21 ILE 24 1HG2 ILE 24 -11.034 0.632 -1.581 203 HG22 ILE 24 2HG2 ILE 24 -11.468 0.682 0.127 204 HG23 ILE 24 3HG2 ILE 24 -11.985 1.978 -0.952 205 HD11 ILE 24 1HD1 ILE 24 -8.821 3.081 1.643 206 HD12 ILE 24 2HD1 ILE 24 -8.261 1.647 2.504 207 HD13 ILE 24 3HD1 ILE 24 -7.300 2.316 1.186 208 H ALA 25 H ALA 25 -10.298 4.554 -1.490 209 HA ALA 25 HA ALA 25 -12.369 4.389 -3.314 210 HB1 ALA 25 1HB ALA 25 -11.551 6.261 -1.551 211 HB2 ALA 25 2HB ALA 25 -11.135 7.050 -3.073 212 HB3 ALA 25 3HB ALA 25 -12.794 6.533 -2.772 213 H GLU 26 H GLU 26 -9.015 5.336 -3.837 214 HA GLU 26 HA GLU 26 -9.363 6.248 -6.502 215 HB2 GLU 26 2HB GLU 26 -7.387 6.607 -4.825 216 HB3 GLU 26 3HB GLU 26 -6.774 5.110 -5.514 217 HG2 GLU 26 2HG GLU 26 -7.599 6.960 -7.572 218 HG3 GLU 26 3HG GLU 26 -6.404 7.676 -6.492 219 H LEU 27 H LEU 27 -8.463 3.138 -5.088 220 HA LEU 27 HA LEU 27 -7.864 1.835 -7.525 221 HB2 LEU 27 2HB LEU 27 -7.819 1.204 -4.801 222 HB3 LEU 27 3HB LEU 27 -8.923 0.041 -5.533 223 HG LEU 27 HG LEU 27 -6.015 0.481 -6.188 224 HD11 LEU 27 1HD1 LEU 27 -5.609 -1.305 -4.925 225 HD12 LEU 27 2HD1 LEU 27 -6.939 -2.212 -5.644 226 HD13 LEU 27 3HD1 LEU 27 -7.246 -1.116 -4.297 227 HD21 LEU 27 1HD2 LEU 27 -8.162 -0.982 -7.676 228 HD22 LEU 27 2HD2 LEU 27 -6.488 -1.536 -7.735 229 HD23 LEU 27 3HD2 LEU 27 -6.902 0.086 -8.295 230 H LYS 28 H LYS 28 -10.791 1.820 -5.500 231 HA LYS 28 HA LYS 28 -12.320 0.194 -7.231 232 HB2 LYS 28 2HB LYS 28 -14.233 0.880 -5.912 233 HB3 LYS 28 3HB LYS 28 -12.867 0.571 -4.847 234 HG2 LYS 28 2HG LYS 28 -12.434 3.036 -4.833 235 HG3 LYS 28 3HG LYS 28 -13.960 3.240 -5.698 236 HD2 LYS 28 2HD LYS 28 -13.621 1.942 -2.993 237 HD3 LYS 28 3HD LYS 28 -14.241 3.568 -3.287 238 HE2 LYS 28 2HE LYS 28 -16.280 2.713 -3.485 239 HE3 LYS 28 3HE LYS 28 -15.742 1.834 -4.915 240 HZ1 LYS 28 1HZ LYS 28 -16.284 0.042 -3.716 241 HZ2 LYS 28 2HZ LYS 28 -16.243 0.870 -2.241 242 HZ3 LYS 28 3HZ LYS 28 -14.808 0.291 -2.926 243 H GLY 29 H GLY 29 -11.862 3.681 -6.999 244 HA2 GLY 29 2HA GLY 29 -13.918 4.401 -8.818 245 HA3 GLY 29 3HA GLY 29 -12.556 5.408 -8.348 246 H LYS 30 H LYS 30 -10.558 3.484 -9.243 247 HA LYS 30 HA LYS 30 -10.426 4.310 -11.984 248 HB2 LYS 30 2HB LYS 30 -8.655 2.586 -10.257 249 HB3 LYS 30 3HB LYS 30 -8.316 2.876 -11.958 250 HG2 LYS 30 2HG LYS 30 -8.816 5.316 -10.439 251 HG3 LYS 30 3HG LYS 30 -7.419 4.396 -9.874 252 HD2 LYS 30 2HD LYS 30 -6.252 4.724 -11.803 253 HD3 LYS 30 3HD LYS 30 -7.707 4.776 -12.802 254 HE2 LYS 30 2HE LYS 30 -7.761 6.993 -11.022 255 HE3 LYS 30 3HE LYS 30 -6.173 6.939 -11.786 256 HZ1 LYS 30 1HZ LYS 30 -8.560 7.859 -12.879 257 HZ2 LYS 30 2HZ LYS 30 -8.155 6.451 -13.723 258 HZ3 LYS 30 3HZ LYS 30 -7.054 7.732 -13.639 259 H LEU 31 H LEU 31 -11.102 1.305 -10.284 260 HA LEU 31 HA LEU 31 -11.071 -0.368 -12.578 261 HB2 LEU 31 2HB LEU 31 -10.997 -0.929 -10.022 262 HB3 LEU 31 3HB LEU 31 -12.752 -0.972 -10.186 263 HG LEU 31 HG LEU 31 -11.781 -3.206 -10.324 264 HD11 LEU 31 1HD1 LEU 31 -13.798 -2.403 -11.715 265 HD12 LEU 31 2HD1 LEU 31 -13.052 -3.950 -12.117 266 HD13 LEU 31 3HD1 LEU 31 -12.699 -2.522 -13.090 267 HD21 LEU 31 1HD2 LEU 31 -10.609 -3.161 -12.897 268 HD22 LEU 31 2HD2 LEU 31 -9.847 -3.547 -11.354 269 HD23 LEU 31 3HD2 LEU 31 -9.848 -1.885 -11.946 270 H GLU 32 H GLU 32 -13.662 1.297 -10.819 271 HA GLU 32 HA GLU 32 -15.771 0.298 -12.432 272 HB2 GLU 32 2HB GLU 32 -17.108 2.125 -11.410 273 HB3 GLU 32 3HB GLU 32 -16.247 1.151 -10.226 274 HG2 GLU 32 2HG GLU 32 -15.776 3.204 -9.405 275 HG3 GLU 32 3HG GLU 32 -14.428 3.045 -10.530 276 H GLU 33 H GLU 33 -13.808 3.234 -12.537 277 HA GLU 33 HA GLU 33 -15.246 4.483 -14.638 278 HB2 GLU 33 2HB GLU 33 -13.611 5.563 -12.999 279 HB3 GLU 33 3HB GLU 33 -12.330 4.926 -14.020 280 HG2 GLU 33 2HG GLU 33 -12.560 7.045 -14.850 281 HG3 GLU 33 3HG GLU 33 -13.619 6.137 -15.927 282 H SER 34 H SER 34 -12.534 2.253 -14.542 283 HA SER 34 HA SER 34 -11.743 2.479 -17.234 284 HB2 SER 34 2HB SER 34 -10.495 0.467 -16.885 285 HB3 SER 34 3HB SER 34 -10.449 1.364 -15.367 286 HG SER 34 HG SER 34 -11.019 -1.030 -15.413 287 H GLU 35 H GLU 35 -14.047 0.318 -15.626 288 HA GLU 35 HA GLU 35 -14.726 -1.034 -18.075 289 HB2 GLU 35 2HB GLU 35 -15.777 -1.132 -15.260 290 HB3 GLU 35 3HB GLU 35 -16.615 -1.954 -16.569 291 HG2 GLU 35 2HG GLU 35 -13.754 -2.426 -15.764 292 HG3 GLU 35 3HG GLU 35 -15.124 -3.446 -15.330 293 H GLY 36 H GLY 36 -15.459 1.957 -16.869 294 HA2 GLY 36 2HA GLY 36 -16.852 3.525 -17.924 295 HA3 GLY 36 3HA GLY 36 -17.727 2.204 -18.683 296 H ILE 37 H ILE 37 -18.422 0.682 -16.487 297 HA ILE 37 HA ILE 37 -19.911 2.494 -14.728 298 HB ILE 37 HB ILE 37 -21.911 0.946 -14.975 299 HG12 ILE 37 2HG1 ILE 37 -20.829 0.286 -17.687 300 HG13 ILE 37 3HG1 ILE 37 -20.367 -0.712 -16.313 301 HG21 ILE 37 1HG2 ILE 37 -21.129 2.599 -17.372 302 HG22 ILE 37 2HG2 ILE 37 -22.767 2.144 -16.907 303 HG23 ILE 37 3HG2 ILE 37 -21.827 3.226 -15.879 304 HD11 ILE 37 1HD1 ILE 37 -22.901 -0.549 -17.758 305 HD12 ILE 37 2HD1 ILE 37 -22.197 -1.877 -16.835 306 HD13 ILE 37 3HD1 ILE 37 -23.059 -0.584 -16.002 307 HA PRO 38 HA PRO 38 -18.833 -0.315 -11.530 308 HB2 PRO 38 2HB PRO 38 -20.963 -0.062 -9.866 309 HB3 PRO 38 3HB PRO 38 -19.740 1.199 -10.058 310 HG2 PRO 38 2HG PRO 38 -22.453 0.985 -11.305 311 HG3 PRO 38 3HG PRO 38 -21.653 2.403 -10.603 312 HD2 PRO 38 2HD PRO 38 -21.760 1.965 -13.273 313 HD3 PRO 38 3HD PRO 38 -20.392 2.786 -12.494 314 H GLY 39 H GLY 39 -18.982 -2.456 -11.154 315 HA2 GLY 39 2HA GLY 39 -20.521 -4.162 -12.677 316 HA3 GLY 39 3HA GLY 39 -19.800 -4.605 -11.136 317 H ASN 40 H ASN 40 -21.213 -3.021 -9.383 318 HA ASN 40 HA ASN 40 -23.967 -2.904 -9.681 319 HB2 ASN 40 2HB ASN 40 -23.033 -5.593 -9.414 320 HB3 ASN 40 3HB ASN 40 -23.924 -5.165 -7.956 321 HD21 ASN 40 1HD2 ASN 40 -26.106 -4.645 -8.106 322 HD22 ASN 40 2HD2 ASN 40 -27.049 -5.047 -9.496 323 H MET 41 H MET 41 -22.074 -4.446 -7.085 324 HA MET 41 HA MET 41 -22.962 -2.306 -5.282 325 HB2 MET 41 2HB MET 41 -22.268 -5.174 -4.920 326 HB3 MET 41 3HB MET 41 -21.897 -4.083 -3.591 327 HG2 MET 41 2HG MET 41 -24.363 -3.301 -3.929 328 HG3 MET 41 3HG MET 41 -24.537 -4.865 -4.722 329 HE1 MET 41 1HE MET 41 -25.124 -3.263 -1.232 330 HE2 MET 41 2HE MET 41 -23.793 -3.973 -0.319 331 HE3 MET 41 3HE MET 41 -23.457 -2.926 -1.699 332 H ILE 42 H ILE 42 -20.100 -4.017 -6.423 333 HA ILE 42 HA ILE 42 -17.866 -3.605 -6.196 334 HB ILE 42 HB ILE 42 -18.687 -0.705 -6.076 335 HG12 ILE 42 2HG1 ILE 42 -19.875 -1.798 -7.916 336 HG13 ILE 42 3HG1 ILE 42 -18.619 -0.734 -8.538 337 HG21 ILE 42 1HG2 ILE 42 -16.398 -1.292 -7.694 338 HG22 ILE 42 2HG2 ILE 42 -16.521 -0.264 -6.268 339 HG23 ILE 42 3HG2 ILE 42 -16.187 -1.986 -6.086 340 HD11 ILE 42 1HD1 ILE 42 -19.040 -3.437 -9.132 341 HD12 ILE 42 2HD1 ILE 42 -17.706 -2.407 -9.653 342 HD13 ILE 42 3HD1 ILE 42 -17.558 -3.364 -8.179 343 H ARG 43 H ARG 43 -18.625 -4.446 -3.854 344 HA ARG 43 HA ARG 43 -17.448 -2.556 -1.924 345 HB2 ARG 43 2HB ARG 43 -19.858 -4.309 -1.700 346 HB3 ARG 43 3HB ARG 43 -18.896 -4.006 -0.259 347 HG2 ARG 43 2HG ARG 43 -19.935 -1.780 -1.982 348 HG3 ARG 43 3HG ARG 43 -20.883 -2.485 -0.671 349 HD2 ARG 43 2HD ARG 43 -18.388 -1.998 0.452 350 HD3 ARG 43 3HD ARG 43 -18.696 -0.592 -0.566 351 HE ARG 43 HE ARG 43 -19.962 -1.212 1.896 352 HH11 ARG 43 1HH1 ARG 43 -20.546 0.188 -1.238 353 HH12 ARG 43 2HH1 ARG 43 -21.834 1.207 -0.687 354 HH21 ARG 43 1HH2 ARG 43 -21.657 0.125 2.634 355 HH22 ARG 43 2HH2 ARG 43 -22.465 1.171 1.516 356 H LEU 44 H LEU 44 -15.564 -3.243 -1.174 357 HA LEU 44 HA LEU 44 -14.994 -6.127 -1.199 358 HB2 LEU 44 2HB LEU 44 -12.628 -5.470 -1.104 359 HB3 LEU 44 3HB LEU 44 -13.458 -4.833 -2.522 360 HG LEU 44 HG LEU 44 -13.221 -3.073 -0.136 361 HD11 LEU 44 1HD1 LEU 44 -10.983 -2.347 -1.314 362 HD12 LEU 44 2HD1 LEU 44 -10.947 -4.045 -1.788 363 HD13 LEU 44 3HD1 LEU 44 -11.000 -3.607 -0.080 364 HD21 LEU 44 1HD2 LEU 44 -12.637 -2.197 -2.897 365 HD22 LEU 44 2HD2 LEU 44 -13.573 -1.408 -1.627 366 HD23 LEU 44 3HD2 LEU 44 -14.290 -2.718 -2.567 367 H VAL 45 H VAL 45 -13.814 -7.045 0.586 368 HA VAL 45 HA VAL 45 -14.330 -5.639 3.126 369 HB VAL 45 HB VAL 45 -15.710 -7.644 2.889 370 HG11 VAL 45 1HG1 VAL 45 -13.534 -9.571 3.121 371 HG12 VAL 45 2HG1 VAL 45 -14.977 -9.606 2.106 372 HG13 VAL 45 3HG1 VAL 45 -13.548 -8.716 1.579 373 HG21 VAL 45 1HG2 VAL 45 -13.488 -7.847 4.915 374 HG22 VAL 45 2HG2 VAL 45 -15.059 -7.070 5.119 375 HG23 VAL 45 3HG2 VAL 45 -14.956 -8.824 4.960 376 H TYR 46 H TYR 46 -12.627 -5.161 4.346 377 HA TYR 46 HA TYR 46 -10.048 -6.409 3.684 378 HB2 TYR 46 2HB TYR 46 -10.695 -3.746 3.818 379 HB3 TYR 46 3HB TYR 46 -10.002 -4.033 5.410 380 HD1 TYR 46 HD1 TYR 46 -9.097 -2.576 2.608 381 HD2 TYR 46 HD2 TYR 46 -7.897 -5.979 4.863 382 HE1 TYR 46 HE1 TYR 46 -6.838 -2.407 1.649 383 HE2 TYR 46 HE2 TYR 46 -5.634 -5.819 3.911 384 HH TYR 46 HH TYR 46 -4.458 -3.156 2.403 385 H GLN 47 H GLN 47 -9.421 -7.947 5.033 386 HA GLN 47 HA GLN 47 -9.116 -9.192 6.914 387 HB2 GLN 47 2HB GLN 47 -8.252 -6.648 7.475 388 HB3 GLN 47 3HB GLN 47 -9.368 -6.958 8.798 389 HG2 GLN 47 2HG GLN 47 -7.853 -8.185 9.831 390 HG3 GLN 47 3HG GLN 47 -7.726 -9.253 8.434 391 HE21 GLN 47 1HE2 GLN 47 -6.713 -5.983 9.382 392 HE22 GLN 47 2HE2 GLN 47 -5.105 -6.119 8.765 393 H GLY 48 H GLY 48 -11.816 -8.843 6.002 394 HA2 GLY 48 2HA GLY 48 -13.852 -9.659 6.749 395 HA3 GLY 48 3HA GLY 48 -13.178 -9.760 8.369 396 H LYS 49 H LYS 49 -12.601 -6.720 7.135 397 HA LYS 49 HA LYS 49 -14.969 -5.648 8.522 398 HB2 LYS 49 2HB LYS 49 -12.180 -5.072 8.790 399 HB3 LYS 49 3HB LYS 49 -12.994 -3.631 8.194 400 HG2 LYS 49 2HG LYS 49 -13.686 -3.186 10.244 401 HG3 LYS 49 3HG LYS 49 -14.589 -4.702 10.267 402 HD2 LYS 49 2HD LYS 49 -11.664 -4.452 10.963 403 HD3 LYS 49 3HD LYS 49 -12.972 -4.451 12.148 404 HE2 LYS 49 2HE LYS 49 -12.346 -6.675 10.207 405 HE3 LYS 49 3HE LYS 49 -11.951 -6.666 11.925 406 HZ1 LYS 49 1HZ LYS 49 -13.937 -7.529 12.307 407 HZ2 LYS 49 2HZ LYS 49 -14.364 -7.415 10.674 408 HZ3 LYS 49 3HZ LYS 49 -14.663 -6.119 11.719 409 H GLN 50 H GLN 50 -15.738 -3.523 7.719 410 HA GLN 50 HA GLN 50 -15.469 -3.355 4.790 411 HB2 GLN 50 2HB GLN 50 -17.876 -2.664 6.484 412 HB3 GLN 50 3HB GLN 50 -17.774 -2.509 4.735 413 HG2 GLN 50 2HG GLN 50 -17.077 -5.137 5.191 414 HG3 GLN 50 3HG GLN 50 -18.353 -4.831 6.368 415 HE21 GLN 50 1HE2 GLN 50 -20.334 -5.169 5.685 416 HE22 GLN 50 2HE2 GLN 50 -20.871 -5.121 4.043 417 H LEU 51 H LEU 51 -16.271 -1.089 4.011 418 HA LEU 51 HA LEU 51 -15.765 1.120 3.824 419 HB2 LEU 51 2HB LEU 51 -15.758 1.337 6.805 420 HB3 LEU 51 3HB LEU 51 -16.336 2.491 5.605 421 HG LEU 51 HG LEU 51 -17.704 -0.098 6.336 422 HD11 LEU 51 1HD1 LEU 51 -19.425 1.488 7.275 423 HD12 LEU 51 2HD1 LEU 51 -18.204 2.753 7.148 424 HD13 LEU 51 3HD1 LEU 51 -17.921 1.356 8.186 425 HD21 LEU 51 1HD2 LEU 51 -19.507 0.649 4.952 426 HD22 LEU 51 2HD2 LEU 51 -18.027 0.692 3.992 427 HD23 LEU 51 3HD2 LEU 51 -18.701 2.187 4.643 428 H GLU 52 H GLU 52 -13.686 0.992 3.035 429 HA GLU 52 HA GLU 52 -11.532 1.252 5.030 430 HB2 GLU 52 2HB GLU 52 -11.291 0.208 2.204 431 HB3 GLU 52 3HB GLU 52 -10.012 0.271 3.409 432 HG2 GLU 52 2HG GLU 52 -10.559 -1.768 4.048 433 HG3 GLU 52 3HG GLU 52 -12.125 -1.158 4.580 434 H ASP 53 H ASP 53 -13.312 2.907 2.778 435 HA ASP 53 HA ASP 53 -11.487 4.459 1.371 436 HB2 ASP 53 2HB ASP 53 -14.087 4.363 1.247 437 HB3 ASP 53 3HB ASP 53 -14.024 5.648 2.450 438 H GLU 54 H GLU 54 -12.649 4.770 4.673 439 HA GLU 54 HA GLU 54 -11.527 7.338 5.153 440 HB2 GLU 54 2HB GLU 54 -13.201 5.589 6.533 441 HB3 GLU 54 3HB GLU 54 -11.753 5.680 7.527 442 HG2 GLU 54 2HG GLU 54 -12.078 7.861 8.054 443 HG3 GLU 54 3HG GLU 54 -12.865 8.231 6.521 444 H LYS 55 H LYS 55 -10.213 4.187 4.984 445 HA LYS 55 HA LYS 55 -7.807 4.977 6.464 446 HB2 LYS 55 2HB LYS 55 -8.904 2.324 5.572 447 HB3 LYS 55 3HB LYS 55 -7.220 2.494 6.050 448 HG2 LYS 55 2HG LYS 55 -8.295 1.764 7.980 449 HG3 LYS 55 3HG LYS 55 -8.126 3.506 8.216 450 HD2 LYS 55 2HD LYS 55 -10.400 3.894 7.737 451 HD3 LYS 55 3HD LYS 55 -10.611 2.286 7.043 452 HE2 LYS 55 2HE LYS 55 -11.239 1.508 9.024 453 HE3 LYS 55 3HE LYS 55 -9.685 1.980 9.709 454 HZ1 LYS 55 1HZ LYS 55 -11.600 4.129 9.362 455 HZ2 LYS 55 2HZ LYS 55 -10.560 3.803 10.655 456 HZ3 LYS 55 3HZ LYS 55 -12.024 2.967 10.516 457 H ARG 56 H ARG 56 -8.327 6.167 3.932 458 HA ARG 56 HA ARG 56 -7.163 5.020 1.722 459 HB2 ARG 56 2HB ARG 56 -6.417 7.494 1.244 460 HB3 ARG 56 3HB ARG 56 -8.121 7.062 1.258 461 HG2 ARG 56 2HG ARG 56 -7.258 7.792 3.898 462 HG3 ARG 56 3HG ARG 56 -6.854 9.061 2.740 463 HD2 ARG 56 2HD ARG 56 -9.392 8.373 1.987 464 HD3 ARG 56 3HD ARG 56 -9.459 8.177 3.738 465 HE ARG 56 HE ARG 56 -9.255 10.639 2.280 466 HH11 ARG 56 1HH1 ARG 56 -8.571 9.053 5.302 467 HH12 ARG 56 2HH1 ARG 56 -8.563 10.521 6.221 468 HH21 ARG 56 1HH2 ARG 56 -9.248 12.579 3.478 469 HH22 ARG 56 2HH2 ARG 56 -8.949 12.527 5.183 470 H LEU 57 H LEU 57 -5.426 7.358 3.781 471 HA LEU 57 HA LEU 57 -2.879 6.541 2.816 472 HB2 LEU 57 2HB LEU 57 -3.675 8.785 3.900 473 HB3 LEU 57 3HB LEU 57 -3.228 7.985 5.406 474 HG LEU 57 HG LEU 57 -1.256 8.159 3.162 475 HD11 LEU 57 1HD1 LEU 57 -2.071 10.353 5.036 476 HD12 LEU 57 2HD1 LEU 57 -1.825 10.419 3.291 477 HD13 LEU 57 3HD1 LEU 57 -0.439 10.261 4.371 478 HD21 LEU 57 1HD2 LEU 57 -0.095 7.045 4.703 479 HD22 LEU 57 2HD2 LEU 57 -1.291 7.375 5.956 480 HD23 LEU 57 3HD2 LEU 57 -0.030 8.559 5.607 481 H LYS 58 H LYS 58 -4.808 5.740 5.638 482 HA LYS 58 HA LYS 58 -2.862 4.458 7.178 483 HB2 LYS 58 2HB LYS 58 -5.701 4.755 7.212 484 HB3 LYS 58 3HB LYS 58 -5.322 3.057 7.469 485 HG2 LYS 58 2HG LYS 58 -3.603 4.743 9.051 486 HG3 LYS 58 3HG LYS 58 -5.304 5.096 9.361 487 HD2 LYS 58 2HD LYS 58 -4.707 2.238 9.202 488 HD3 LYS 58 3HD LYS 58 -3.860 3.067 10.511 489 HE2 LYS 58 2HE LYS 58 -6.813 3.386 10.038 490 HE3 LYS 58 3HE LYS 58 -6.152 2.100 11.046 491 HZ1 LYS 58 1HZ LYS 58 -6.743 4.663 11.832 492 HZ2 LYS 58 2HZ LYS 58 -5.054 4.629 11.745 493 HZ3 LYS 58 3HZ LYS 58 -5.873 3.512 12.716 494 H ASP 59 H ASP 59 -4.536 3.435 4.318 495 HA ASP 59 HA ASP 59 -3.831 0.649 4.627 496 HB2 ASP 59 2HB ASP 59 -5.392 2.267 2.701 497 HB3 ASP 59 3HB ASP 59 -4.603 0.836 2.043 498 H TYR 60 H TYR 60 -2.347 3.469 3.433 499 HA TYR 60 HA TYR 60 -0.654 2.177 1.498 500 HB2 TYR 60 2HB TYR 60 -1.298 4.553 1.284 501 HB3 TYR 60 3HB TYR 60 -0.409 4.917 2.759 502 HD1 TYR 60 HD1 TYR 60 1.751 5.706 2.557 503 HD2 TYR 60 HD2 TYR 60 0.139 3.324 -0.579 504 HE1 TYR 60 HE1 TYR 60 3.797 6.066 1.240 505 HE2 TYR 60 HE2 TYR 60 2.181 3.676 -1.904 506 HH TYR 60 HH TYR 60 4.201 5.938 -1.602 507 H GLN 61 H GLN 61 -0.613 2.662 4.888 508 HA GLN 61 HA GLN 61 2.254 2.392 5.162 509 HB2 GLN 61 2HB GLN 61 0.046 2.407 7.226 510 HB3 GLN 61 3HB GLN 61 1.765 2.372 7.598 511 HG2 GLN 61 2HG GLN 61 2.097 4.543 6.751 512 HG3 GLN 61 3HG GLN 61 0.519 4.560 5.966 513 HE21 GLN 61 1HE2 GLN 61 -1.181 3.770 7.864 514 HE22 GLN 61 2HE2 GLN 61 -1.164 4.855 9.208 515 H MET 62 H MET 62 -0.355 0.309 4.720 516 HA MET 62 HA MET 62 0.687 -1.904 6.249 517 HB2 MET 62 2HB MET 62 -1.403 -2.099 4.093 518 HB3 MET 62 3HB MET 62 -1.194 -3.121 5.509 519 HG2 MET 62 2HG MET 62 -2.009 -0.227 5.608 520 HG3 MET 62 3HG MET 62 -3.132 -1.586 5.640 521 HE1 MET 62 1HE MET 62 -3.214 -2.884 9.017 522 HE2 MET 62 2HE MET 62 -3.591 -3.045 7.301 523 HE3 MET 62 3HE MET 62 -2.104 -3.741 7.947 524 H SER 63 H SER 63 0.150 -1.349 2.763 525 HA SER 63 HA SER 63 1.138 -2.248 0.917 526 HB2 SER 63 2HB SER 63 3.672 -2.427 2.537 527 HB3 SER 63 3HB SER 63 3.489 -2.077 0.819 528 HG SER 63 HG SER 63 3.157 -0.406 3.029 529 H ALA 64 H ALA 64 -0.111 -4.102 2.721 530 HA ALA 64 HA ALA 64 0.711 -6.530 1.599 531 HB1 ALA 64 1HB ALA 64 1.558 -7.611 3.737 532 HB2 ALA 64 2HB ALA 64 2.665 -6.515 2.908 533 HB3 ALA 64 3HB ALA 64 1.797 -5.972 4.344 534 H GLY 65 H GLY 65 -1.731 -5.473 1.775 535 HA2 GLY 65 2HA GLY 65 -3.064 -7.149 3.811 536 HA3 GLY 65 3HA GLY 65 -3.634 -5.534 3.418 537 H ALA 66 H ALA 66 -4.143 -8.745 2.878 538 HA ALA 66 HA ALA 66 -4.755 -8.879 0.139 539 HB1 ALA 66 1HB ALA 66 -4.640 -10.703 2.089 540 HB2 ALA 66 2HB ALA 66 -6.389 -10.492 2.002 541 HB3 ALA 66 3HB ALA 66 -5.487 -10.979 0.567 542 H THR 67 H THR 67 -6.508 -8.328 -1.034 543 HA THR 67 HA THR 67 -8.804 -7.168 0.407 544 HB THR 67 HB THR 67 -8.701 -6.033 -2.184 545 HG1 THR 67 HG1 THR 67 -6.268 -5.546 -0.808 546 HG21 THR 67 1HG2 THR 67 -7.934 -4.730 0.426 547 HG22 THR 67 2HG2 THR 67 -9.600 -5.077 -0.039 548 HG23 THR 67 3HG2 THR 67 -8.630 -3.960 -0.999 549 H PHE 68 H PHE 68 -10.825 -7.698 -0.295 550 HA PHE 68 HA PHE 68 -11.030 -9.428 -2.664 551 HB2 PHE 68 2HB PHE 68 -11.141 -10.946 -0.832 552 HB3 PHE 68 3HB PHE 68 -12.217 -9.885 0.071 553 HD1 PHE 68 HD1 PHE 68 -14.496 -10.247 0.008 554 HD2 PHE 68 HD2 PHE 68 -12.050 -11.854 -3.082 555 HE1 PHE 68 HE1 PHE 68 -16.444 -11.439 -0.909 556 HE2 PHE 68 HE2 PHE 68 -13.993 -13.049 -4.004 557 HZ PHE 68 HZ PHE 68 -16.193 -12.842 -2.918 558 H HIS 69 H HIS 69 -12.254 -8.419 -4.103 559 HA HIS 69 HA HIS 69 -14.259 -6.494 -3.243 560 HB2 HIS 69 2HB HIS 69 -13.263 -7.264 -5.993 561 HB3 HIS 69 3HB HIS 69 -14.470 -6.019 -5.685 562 HD1 HIS 69 HD1 HIS 69 -13.349 -3.854 -6.087 563 HD2 HIS 69 HD2 HIS 69 -10.919 -6.484 -3.980 564 HE1 HIS 69 HE1 HIS 69 -11.273 -2.549 -5.526 565 H MET 70 H MET 70 -16.448 -6.654 -3.632 566 HA MET 70 HA MET 70 -17.413 -9.234 -4.671 567 HB2 MET 70 2HB MET 70 -17.591 -9.260 -2.238 568 HB3 MET 70 3HB MET 70 -18.466 -7.734 -2.266 569 HG2 MET 70 2HG MET 70 -20.390 -8.783 -2.538 570 HG3 MET 70 3HG MET 70 -19.780 -9.626 -3.959 571 HE1 MET 70 1HE MET 70 -21.469 -11.220 -3.431 572 HE2 MET 70 2HE MET 70 -21.065 -12.722 -2.602 573 HE3 MET 70 3HE MET 70 -21.907 -11.436 -1.736 574 H VAL 71 H VAL 71 -18.940 -9.094 -6.193 575 HA VAL 71 HA VAL 71 -20.482 -6.604 -6.434 576 HB VAL 71 HB VAL 71 -20.273 -6.890 -8.963 577 HG11 VAL 71 1HG1 VAL 71 -18.026 -5.740 -8.984 578 HG12 VAL 71 2HG1 VAL 71 -19.246 -5.021 -7.932 579 HG13 VAL 71 3HG1 VAL 71 -17.963 -6.017 -7.244 580 HG21 VAL 71 1HG2 VAL 71 -18.905 -8.416 -9.857 581 HG22 VAL 71 2HG2 VAL 71 -17.623 -8.075 -8.695 582 HG23 VAL 71 3HG2 VAL 71 -18.926 -9.186 -8.271 583 H VAL 72 H VAL 72 -22.526 -7.196 -6.129 584 HA VAL 72 HA VAL 72 -23.439 -9.803 -7.106 585 HB VAL 72 HB VAL 72 -24.007 -9.415 -4.815 586 HG11 VAL 72 1HG1 VAL 72 -24.261 -7.347 -4.048 587 HG12 VAL 72 2HG1 VAL 72 -24.367 -6.715 -5.692 588 HG13 VAL 72 3HG1 VAL 72 -25.823 -7.265 -4.861 589 HG21 VAL 72 1HG2 VAL 72 -26.318 -9.831 -4.858 590 HG22 VAL 72 2HG2 VAL 72 -26.554 -8.852 -6.306 591 HG23 VAL 72 3HG2 VAL 72 -25.727 -10.406 -6.417 592 H ALA 73 H ALA 73 -24.097 -9.736 -9.162 593 HA ALA 73 HA ALA 73 -25.828 -7.500 -9.994 594 HB1 ALA 73 1HB ALA 73 -23.940 -9.169 -11.647 595 HB2 ALA 73 2HB ALA 73 -25.084 -8.003 -12.312 596 HB3 ALA 73 3HB ALA 73 -23.785 -7.457 -11.251 597 H LEU 74 H LEU 74 -27.839 -8.294 -9.629 598 HA LEU 74 HA LEU 74 -28.505 -10.904 -10.819 599 HB2 LEU 74 2HB LEU 74 -29.451 -9.471 -8.399 600 HB3 LEU 74 3HB LEU 74 -30.621 -10.457 -9.272 601 HG LEU 74 HG LEU 74 -29.656 -11.696 -7.421 602 HD11 LEU 74 1HD1 LEU 74 -30.079 -12.655 -9.857 603 HD12 LEU 74 2HD1 LEU 74 -29.438 -13.654 -8.553 604 HD13 LEU 74 3HD1 LEU 74 -28.347 -12.969 -9.757 605 HD21 LEU 74 1HD2 LEU 74 -27.407 -10.344 -7.748 606 HD22 LEU 74 2HD2 LEU 74 -26.977 -11.762 -8.706 607 HD23 LEU 74 3HD2 LEU 74 -27.426 -11.946 -7.009 608 H ARG 75 H ARG 75 -29.263 -7.512 -10.733 609 HA ARG 75 HA ARG 75 -31.728 -7.706 -12.170 610 HB2 ARG 75 2HB ARG 75 -29.885 -5.445 -11.449 611 HB3 ARG 75 3HB ARG 75 -31.232 -5.189 -12.549 612 HG2 ARG 75 2HG ARG 75 -31.447 -6.225 -9.730 613 HG3 ARG 75 3HG ARG 75 -31.797 -4.577 -10.255 614 HD2 ARG 75 2HD ARG 75 -33.491 -5.594 -11.842 615 HD3 ARG 75 3HD ARG 75 -33.260 -7.107 -10.967 616 HE ARG 75 HE ARG 75 -33.822 -5.271 -9.027 617 HH11 ARG 75 1HH1 ARG 75 -35.402 -6.346 -11.936 618 HH12 ARG 75 2HH1 ARG 75 -36.999 -6.040 -11.338 619 HH21 ARG 75 1HH2 ARG 75 -35.919 -4.864 -8.227 620 HH22 ARG 75 2HH2 ARG 75 -37.292 -5.196 -9.228 621 H ALA 76 H ALA 76 -28.522 -6.444 -13.108 622 HA ALA 76 HA ALA 76 -28.718 -7.685 -15.701 623 HB1 ALA 76 1HB ALA 76 -29.966 -5.868 -16.398 624 HB2 ALA 76 2HB ALA 76 -29.094 -4.739 -15.360 625 HB3 ALA 76 3HB ALA 76 -28.324 -5.375 -16.814 626 H GLY 77 H GLY 77 -26.754 -7.423 -16.974 627 HA2 GLY 77 2HA GLY 77 -24.483 -6.031 -16.284 628 HA3 GLY 77 3HA GLY 77 -24.426 -7.496 -15.315 629 H CYS 78 H CYS 78 -25.339 -6.746 -18.681 630 HA CYS 78 HA CYS 78 -24.698 -7.657 -20.663 631 HB2 CYS 78 2HB CYS 78 -22.296 -7.538 -19.050 632 HB3 CYS 78 3HB CYS 78 -22.242 -8.907 -20.155 633 HG CYS 78 HG CYS 78 -21.505 -7.540 -22.188 Start of MODEL 7 1 H MET 1 H MET 1 1.859 0.146 0.714 2 HA MET 1 HA MET 1 2.008 1.111 -1.849 3 HB2 MET 1 2HB MET 1 3.862 0.343 -0.149 4 HB3 MET 1 3HB MET 1 3.799 -1.155 -1.069 5 HG2 MET 1 2HG MET 1 5.391 -0.130 -2.279 6 HG3 MET 1 3HG MET 1 3.996 0.578 -3.090 7 HE1 MET 1 1HE MET 1 6.565 2.506 -3.558 8 HE2 MET 1 2HE MET 1 7.349 2.903 -2.029 9 HE3 MET 1 3HE MET 1 7.144 1.216 -2.503 10 H LEU 2 H LEU 2 2.198 -2.371 -1.088 11 HA LEU 2 HA LEU 2 1.055 -2.920 -3.741 12 HB2 LEU 2 2HB LEU 2 3.217 -3.901 -3.466 13 HB3 LEU 2 3HB LEU 2 2.761 -4.595 -1.912 14 HG LEU 2 HG LEU 2 1.127 -5.487 -4.186 15 HD11 LEU 2 1HD1 LEU 2 3.235 -7.173 -4.488 16 HD12 LEU 2 2HD1 LEU 2 4.052 -5.626 -4.272 17 HD13 LEU 2 3HD1 LEU 2 2.864 -5.823 -5.560 18 HD21 LEU 2 1HD2 LEU 2 1.945 -7.704 -3.002 19 HD22 LEU 2 2HD2 LEU 2 0.676 -6.696 -2.305 20 HD23 LEU 2 3HD2 LEU 2 2.329 -6.579 -1.699 21 H LEU 3 H LEU 3 -0.888 -3.841 -3.916 22 HA LEU 3 HA LEU 3 -2.008 -5.284 -1.626 23 HB2 LEU 3 2HB LEU 3 -3.960 -4.055 -1.516 24 HB3 LEU 3 3HB LEU 3 -2.730 -2.816 -1.757 25 HG LEU 3 HG LEU 3 -4.510 -3.923 -3.926 26 HD11 LEU 3 1HD1 LEU 3 -5.022 -1.205 -3.470 27 HD12 LEU 3 2HD1 LEU 3 -5.023 -1.977 -1.885 28 HD13 LEU 3 3HD1 LEU 3 -6.090 -2.574 -3.156 29 HD21 LEU 3 1HD2 LEU 3 -2.531 -3.154 -4.935 30 HD22 LEU 3 2HD2 LEU 3 -2.420 -1.765 -3.852 31 HD23 LEU 3 3HD2 LEU 3 -3.677 -1.821 -5.090 32 H LYS 4 H LYS 4 -3.571 -6.835 -2.151 33 HA LYS 4 HA LYS 4 -3.746 -7.465 -5.025 34 HB2 LYS 4 2HB LYS 4 -2.462 -9.158 -3.914 35 HB3 LYS 4 3HB LYS 4 -3.649 -9.291 -2.623 36 HG2 LYS 4 2HG LYS 4 -5.280 -10.160 -4.259 37 HG3 LYS 4 3HG LYS 4 -4.023 -10.107 -5.497 38 HD2 LYS 4 2HD LYS 4 -3.462 -11.557 -2.956 39 HD3 LYS 4 3HD LYS 4 -4.525 -12.316 -4.143 40 HE2 LYS 4 2HE LYS 4 -2.832 -12.289 -5.804 41 HE3 LYS 4 3HE LYS 4 -1.810 -11.223 -4.842 42 HZ1 LYS 4 1HZ LYS 4 -0.857 -13.008 -3.981 43 HZ2 LYS 4 2HZ LYS 4 -1.884 -14.030 -4.853 44 HZ3 LYS 4 3HZ LYS 4 -2.334 -13.493 -3.313 45 H VAL 5 H VAL 5 -5.693 -7.027 -5.808 46 HA VAL 5 HA VAL 5 -8.036 -7.335 -4.056 47 HB VAL 5 HB VAL 5 -9.230 -5.906 -5.682 48 HG11 VAL 5 1HG1 VAL 5 -7.787 -3.809 -5.232 49 HG12 VAL 5 2HG1 VAL 5 -8.439 -4.704 -3.858 50 HG13 VAL 5 3HG1 VAL 5 -6.751 -4.912 -4.327 51 HG21 VAL 5 1HG2 VAL 5 -7.100 -4.695 -7.059 52 HG22 VAL 5 2HG2 VAL 5 -6.899 -6.435 -7.265 53 HG23 VAL 5 3HG2 VAL 5 -8.413 -5.661 -7.734 54 H LYS 6 H LYS 6 -9.432 -8.926 -4.425 55 HA LYS 6 HA LYS 6 -9.438 -10.205 -7.079 56 HB2 LYS 6 2HB LYS 6 -10.055 -12.328 -5.777 57 HB3 LYS 6 3HB LYS 6 -8.379 -11.798 -5.719 58 HG2 LYS 6 2HG LYS 6 -8.483 -11.241 -3.517 59 HG3 LYS 6 3HG LYS 6 -10.201 -10.840 -3.584 60 HD2 LYS 6 2HD LYS 6 -9.841 -12.856 -2.268 61 HD3 LYS 6 3HD LYS 6 -10.741 -13.230 -3.740 62 HE2 LYS 6 2HE LYS 6 -9.195 -14.705 -4.339 63 HE3 LYS 6 3HE LYS 6 -7.951 -13.457 -4.284 64 HZ1 LYS 6 1HZ LYS 6 -7.816 -15.559 -2.760 65 HZ2 LYS 6 2HZ LYS 6 -8.839 -14.655 -1.761 66 HZ3 LYS 6 3HZ LYS 6 -7.320 -14.046 -2.188 67 H THR 7 H THR 7 -11.339 -10.068 -8.054 68 HA THR 7 HA THR 7 -13.698 -9.303 -6.548 69 HB THR 7 HB THR 7 -14.790 -9.067 -8.734 70 HG1 THR 7 HG1 THR 7 -13.236 -9.321 -10.589 71 HG21 THR 7 1HG2 THR 7 -13.113 -7.378 -9.720 72 HG22 THR 7 2HG2 THR 7 -12.103 -7.787 -8.333 73 HG23 THR 7 3HG2 THR 7 -13.707 -7.098 -8.084 74 H VAL 8 H VAL 8 -15.821 -10.379 -7.307 75 HA VAL 8 HA VAL 8 -15.713 -13.114 -6.542 76 HB VAL 8 HB VAL 8 -17.644 -11.610 -6.070 77 HG11 VAL 8 1HG1 VAL 8 -18.326 -12.034 -8.977 78 HG12 VAL 8 2HG1 VAL 8 -19.268 -11.136 -7.785 79 HG13 VAL 8 3HG1 VAL 8 -17.693 -10.533 -8.302 80 HG21 VAL 8 1HG2 VAL 8 -18.586 -13.975 -7.657 81 HG22 VAL 8 2HG2 VAL 8 -17.702 -14.176 -6.144 82 HG23 VAL 8 3HG2 VAL 8 -19.241 -13.315 -6.158 83 H SER 9 H SER 9 -15.165 -11.600 -9.482 84 HA SER 9 HA SER 9 -16.188 -13.747 -11.144 85 HB2 SER 9 2HB SER 9 -15.295 -11.016 -11.555 86 HB3 SER 9 3HB SER 9 -14.556 -12.113 -12.721 87 HG SER 9 HG SER 9 -17.334 -11.875 -12.180 88 H ASN 10 H ASN 10 -13.804 -13.821 -9.119 89 HA ASN 10 HA ASN 10 -11.916 -15.075 -8.906 90 HB2 ASN 10 2HB ASN 10 -13.408 -16.409 -10.828 91 HB3 ASN 10 3HB ASN 10 -11.829 -16.222 -11.587 92 HD21 ASN 10 1HD2 ASN 10 -13.644 -18.204 -9.736 93 HD22 ASN 10 2HD2 ASN 10 -12.396 -19.083 -8.927 94 H LYS 11 H LYS 11 -11.892 -12.384 -10.042 95 HA LYS 11 HA LYS 11 -9.491 -12.522 -11.737 96 HB2 LYS 11 2HB LYS 11 -11.533 -10.329 -11.356 97 HB3 LYS 11 3HB LYS 11 -10.033 -10.112 -12.249 98 HG2 LYS 11 2HG LYS 11 -10.711 -11.848 -13.824 99 HG3 LYS 11 3HG LYS 11 -12.212 -12.081 -12.923 100 HD2 LYS 11 2HD LYS 11 -12.951 -9.866 -13.455 101 HD3 LYS 11 3HD LYS 11 -11.386 -9.459 -14.163 102 HE2 LYS 11 2HE LYS 11 -12.508 -11.822 -15.387 103 HE3 LYS 11 3HE LYS 11 -13.628 -10.464 -15.484 104 HZ1 LYS 11 1HZ LYS 11 -11.605 -9.165 -16.303 105 HZ2 LYS 11 2HZ LYS 11 -12.324 -10.258 -17.375 106 HZ3 LYS 11 3HZ LYS 11 -10.893 -10.675 -16.574 107 H VAL 12 H VAL 12 -7.756 -12.527 -10.431 108 HA VAL 12 HA VAL 12 -7.682 -10.640 -8.179 109 HB VAL 12 HB VAL 12 -5.766 -12.910 -8.714 110 HG11 VAL 12 1HG1 VAL 12 -5.562 -12.579 -6.127 111 HG12 VAL 12 2HG1 VAL 12 -4.682 -11.521 -7.232 112 HG13 VAL 12 3HG1 VAL 12 -6.182 -10.968 -6.487 113 HG21 VAL 12 1HG2 VAL 12 -7.208 -13.768 -6.612 114 HG22 VAL 12 2HG2 VAL 12 -8.455 -12.888 -7.496 115 HG23 VAL 12 3HG2 VAL 12 -7.574 -14.198 -8.283 116 H ILE 13 H ILE 13 -6.482 -8.866 -8.319 117 HA ILE 13 HA ILE 13 -4.313 -8.791 -10.313 118 HB ILE 13 HB ILE 13 -6.154 -6.526 -9.537 119 HG12 ILE 13 2HG1 ILE 13 -7.240 -8.114 -11.027 120 HG13 ILE 13 3HG1 ILE 13 -6.863 -6.638 -11.909 121 HG21 ILE 13 1HG2 ILE 13 -3.606 -6.634 -11.062 122 HG22 ILE 13 2HG2 ILE 13 -4.865 -5.531 -11.616 123 HG23 ILE 13 3HG2 ILE 13 -4.225 -5.387 -9.979 124 HD11 ILE 13 1HD1 ILE 13 -4.654 -8.338 -12.228 125 HD12 ILE 13 2HD1 ILE 13 -6.095 -9.325 -12.474 126 HD13 ILE 13 3HD1 ILE 13 -5.850 -7.868 -13.436 127 H GLN 14 H GLN 14 -2.401 -8.642 -9.360 128 HA GLN 14 HA GLN 14 -2.215 -7.304 -6.750 129 HB2 GLN 14 2HB GLN 14 -1.463 -9.584 -6.652 130 HB3 GLN 14 3HB GLN 14 -0.442 -9.362 -8.066 131 HG2 GLN 14 2HG GLN 14 0.304 -7.442 -6.107 132 HG3 GLN 14 3HG GLN 14 0.223 -9.029 -5.343 133 HE21 GLN 14 1HE2 GLN 14 1.116 -8.100 -8.636 134 HE22 GLN 14 2HE2 GLN 14 2.710 -8.764 -8.580 135 H ILE 15 H ILE 15 -1.505 -5.285 -6.827 136 HA ILE 15 HA ILE 15 0.546 -4.594 -8.829 137 HB ILE 15 HB ILE 15 -0.341 -2.255 -8.708 138 HG12 ILE 15 2HG1 ILE 15 -2.647 -3.606 -7.288 139 HG13 ILE 15 3HG1 ILE 15 -1.525 -2.459 -6.564 140 HG21 ILE 15 1HG2 ILE 15 -2.640 -3.843 -9.647 141 HG22 ILE 15 2HG2 ILE 15 -1.669 -2.637 -10.491 142 HG23 ILE 15 3HG2 ILE 15 -1.068 -4.285 -10.313 143 HD11 ILE 15 1HD1 ILE 15 -2.327 -0.819 -8.338 144 HD12 ILE 15 2HD1 ILE 15 -3.643 -1.959 -8.620 145 HD13 ILE 15 3HD1 ILE 15 -3.442 -1.219 -7.032 146 H THR 16 H THR 16 2.131 -3.053 -8.208 147 HA THR 16 HA THR 16 2.464 -2.808 -5.288 148 HB THR 16 HB THR 16 4.150 -4.305 -6.133 149 HG1 THR 16 HG1 THR 16 6.060 -2.887 -5.718 150 HG21 THR 16 1HG2 THR 16 4.815 -4.139 -8.255 151 HG22 THR 16 2HG2 THR 16 5.764 -2.724 -7.797 152 HG23 THR 16 3HG2 THR 16 4.117 -2.526 -8.395 153 H SER 17 H SER 17 1.054 -0.826 -6.122 154 HA SER 17 HA SER 17 2.675 1.470 -5.781 155 HB2 SER 17 2HB SER 17 3.255 1.168 -8.111 156 HB3 SER 17 3HB SER 17 1.556 0.997 -8.554 157 HG SER 17 HG SER 17 1.422 3.084 -8.644 158 H LEU 18 H LEU 18 1.090 1.629 -4.109 159 HA LEU 18 HA LEU 18 -1.592 2.419 -5.018 160 HB2 LEU 18 2HB LEU 18 -0.683 0.780 -2.892 161 HB3 LEU 18 3HB LEU 18 -1.431 2.209 -2.182 162 HG LEU 18 HG LEU 18 -2.714 0.218 -4.048 163 HD11 LEU 18 1HD1 LEU 18 -4.294 0.163 -1.981 164 HD12 LEU 18 2HD1 LEU 18 -2.892 0.804 -1.126 165 HD13 LEU 18 3HD1 LEU 18 -2.783 -0.747 -1.957 166 HD21 LEU 18 1HD2 LEU 18 -3.693 2.207 -4.721 167 HD22 LEU 18 2HD2 LEU 18 -3.593 2.921 -3.112 168 HD23 LEU 18 3HD2 LEU 18 -4.779 1.658 -3.444 169 H THR 19 H THR 19 -2.583 4.288 -4.123 170 HA THR 19 HA THR 19 -0.733 6.461 -3.727 171 HB THR 19 HB THR 19 -3.602 6.988 -3.291 172 HG1 THR 19 HG1 THR 19 -4.157 5.760 -4.937 173 HG21 THR 19 1HG2 THR 19 -2.226 8.305 -5.499 174 HG22 THR 19 2HG2 THR 19 -1.363 8.446 -3.967 175 HG23 THR 19 3HG2 THR 19 -3.032 9.001 -4.094 176 H ASP 20 H ASP 20 -1.553 8.165 -1.997 177 HA ASP 20 HA ASP 20 -1.940 6.734 0.550 178 HB2 ASP 20 2HB ASP 20 -0.555 8.870 1.386 179 HB3 ASP 20 3HB ASP 20 0.225 7.370 0.890 180 H ASP 21 H ASP 21 -3.276 8.851 -1.561 181 HA ASP 21 HA ASP 21 -4.416 10.645 0.437 182 HB2 ASP 21 2HB ASP 21 -4.764 10.558 -2.567 183 HB3 ASP 21 3HB ASP 21 -5.439 11.788 -1.502 184 H ASN 22 H ASN 22 -5.512 8.286 -1.986 185 HA ASN 22 HA ASN 22 -8.027 8.041 -0.470 186 HB2 ASN 22 2HB ASN 22 -7.522 8.352 -3.354 187 HB3 ASN 22 3HB ASN 22 -8.661 7.072 -2.946 188 HD21 ASN 22 1HD2 ASN 22 -10.154 7.902 -1.011 189 HD22 ASN 22 2HD2 ASN 22 -10.944 9.398 -1.360 190 H THR 23 H THR 23 -5.820 6.292 -2.646 191 HA THR 23 HA THR 23 -5.136 4.121 -2.698 192 HB THR 23 HB THR 23 -6.145 4.103 0.153 193 HG1 THR 23 HG1 THR 23 -3.778 4.193 0.495 194 HG21 THR 23 1HG2 THR 23 -4.110 2.194 -0.222 195 HG22 THR 23 2HG2 THR 23 -5.268 1.949 -1.529 196 HG23 THR 23 3HG2 THR 23 -5.808 1.901 0.149 197 H ILE 24 H ILE 24 -7.777 3.491 -0.447 198 HA ILE 24 HA ILE 24 -8.828 1.364 -1.940 199 HB ILE 24 HB ILE 24 -10.182 3.052 0.167 200 HG12 ILE 24 2HG1 ILE 24 -9.657 0.681 1.348 201 HG13 ILE 24 3HG1 ILE 24 -8.307 0.756 0.221 202 HG21 ILE 24 1HG2 ILE 24 -11.016 0.557 -1.254 203 HG22 ILE 24 2HG2 ILE 24 -11.539 0.856 0.403 204 HG23 ILE 24 3HG2 ILE 24 -11.960 1.998 -0.873 205 HD11 ILE 24 1HD1 ILE 24 -7.238 2.209 1.501 206 HD12 ILE 24 2HD1 ILE 24 -8.648 3.266 1.588 207 HD13 ILE 24 3HD1 ILE 24 -8.474 1.932 2.729 208 H ALA 25 H ALA 25 -10.313 4.565 -1.391 209 HA ALA 25 HA ALA 25 -12.397 4.336 -3.193 210 HB1 ALA 25 1HB ALA 25 -11.658 6.241 -1.484 211 HB2 ALA 25 2HB ALA 25 -11.105 6.992 -2.982 212 HB3 ALA 25 3HB ALA 25 -12.798 6.534 -2.798 213 H GLU 26 H GLU 26 -9.054 5.306 -3.767 214 HA GLU 26 HA GLU 26 -9.429 6.106 -6.465 215 HB2 GLU 26 2HB GLU 26 -7.433 6.486 -4.756 216 HB3 GLU 26 3HB GLU 26 -6.799 5.048 -5.543 217 HG2 GLU 26 2HG GLU 26 -6.146 6.214 -7.305 218 HG3 GLU 26 3HG GLU 26 -7.745 6.930 -7.498 219 H LEU 27 H LEU 27 -8.508 3.066 -4.929 220 HA LEU 27 HA LEU 27 -7.872 1.676 -7.309 221 HB2 LEU 27 2HB LEU 27 -8.035 1.117 -4.509 222 HB3 LEU 27 3HB LEU 27 -8.850 -0.162 -5.406 223 HG LEU 27 HG LEU 27 -6.448 -0.606 -4.875 224 HD11 LEU 27 1HD1 LEU 27 -6.159 -1.813 -6.786 225 HD12 LEU 27 2HD1 LEU 27 -6.656 -0.486 -7.835 226 HD13 LEU 27 3HD1 LEU 27 -7.869 -1.413 -6.951 227 HD21 LEU 27 1HD2 LEU 27 -4.718 0.612 -5.786 228 HD22 LEU 27 2HD2 LEU 27 -5.883 1.883 -5.414 229 HD23 LEU 27 3HD2 LEU 27 -5.725 1.288 -7.067 230 H LYS 28 H LYS 28 -10.816 1.719 -5.309 231 HA LYS 28 HA LYS 28 -12.316 0.010 -6.987 232 HB2 LYS 28 2HB LYS 28 -14.263 0.794 -5.727 233 HB3 LYS 28 3HB LYS 28 -12.923 0.420 -4.650 234 HG2 LYS 28 2HG LYS 28 -12.380 2.862 -4.620 235 HG3 LYS 28 3HG LYS 28 -13.884 3.139 -5.502 236 HD2 LYS 28 2HD LYS 28 -13.628 1.831 -2.793 237 HD3 LYS 28 3HD LYS 28 -14.195 3.474 -3.102 238 HE2 LYS 28 2HE LYS 28 -15.813 2.001 -4.734 239 HE3 LYS 28 3HE LYS 28 -15.592 0.911 -3.367 240 HZ1 LYS 28 1HZ LYS 28 -16.117 3.597 -2.542 241 HZ2 LYS 28 2HZ LYS 28 -16.895 2.163 -2.096 242 HZ3 LYS 28 3HZ LYS 28 -17.364 2.977 -3.503 243 H GLY 29 H GLY 29 -11.995 3.530 -6.822 244 HA2 GLY 29 2HA GLY 29 -14.000 4.110 -8.742 245 HA3 GLY 29 3HA GLY 29 -12.711 5.192 -8.238 246 H LYS 30 H LYS 30 -10.577 3.376 -9.007 247 HA LYS 30 HA LYS 30 -10.363 4.153 -11.752 248 HB2 LYS 30 2HB LYS 30 -8.618 2.729 -9.791 249 HB3 LYS 30 3HB LYS 30 -8.241 2.591 -11.503 250 HG2 LYS 30 2HG LYS 30 -8.723 5.311 -10.437 251 HG3 LYS 30 3HG LYS 30 -7.229 4.500 -9.962 252 HD2 LYS 30 2HD LYS 30 -6.797 4.066 -12.391 253 HD3 LYS 30 3HD LYS 30 -8.186 5.091 -12.760 254 HE2 LYS 30 2HE LYS 30 -6.816 6.840 -12.702 255 HE3 LYS 30 3HE LYS 30 -6.634 6.568 -10.970 256 HZ1 LYS 30 1HZ LYS 30 -4.714 6.271 -13.008 257 HZ2 LYS 30 2HZ LYS 30 -4.954 4.772 -12.264 258 HZ3 LYS 30 3HZ LYS 30 -4.513 6.115 -11.335 259 H LEU 31 H LEU 31 -11.116 1.191 -10.043 260 HA LEU 31 HA LEU 31 -10.845 -0.561 -12.260 261 HB2 LEU 31 2HB LEU 31 -11.013 -1.037 -9.696 262 HB3 LEU 31 3HB LEU 31 -12.745 -1.092 -10.018 263 HG LEU 31 HG LEU 31 -11.745 -3.325 -9.986 264 HD11 LEU 31 1HD1 LEU 31 -13.626 -2.499 -11.623 265 HD12 LEU 31 2HD1 LEU 31 -12.959 -4.126 -11.752 266 HD13 LEU 31 3HD1 LEU 31 -12.410 -2.859 -12.850 267 HD21 LEU 31 1HD2 LEU 31 -9.741 -3.690 -10.861 268 HD22 LEU 31 2HD2 LEU 31 -9.703 -2.047 -11.502 269 HD23 LEU 31 3HD2 LEU 31 -10.386 -3.356 -12.468 270 H GLU 32 H GLU 32 -13.594 1.171 -10.847 271 HA GLU 32 HA GLU 32 -15.548 0.078 -12.584 272 HB2 GLU 32 2HB GLU 32 -16.957 1.976 -11.818 273 HB3 GLU 32 3HB GLU 32 -16.224 1.077 -10.497 274 HG2 GLU 32 2HG GLU 32 -14.488 2.808 -10.310 275 HG3 GLU 32 3HG GLU 32 -15.288 3.721 -11.588 276 H GLU 33 H GLU 33 -13.574 3.008 -12.697 277 HA GLU 33 HA GLU 33 -14.797 4.105 -15.007 278 HB2 GLU 33 2HB GLU 33 -13.240 5.219 -13.242 279 HB3 GLU 33 3HB GLU 33 -11.938 4.631 -14.266 280 HG2 GLU 33 2HG GLU 33 -12.452 6.052 -15.981 281 HG3 GLU 33 3HG GLU 33 -14.149 6.172 -15.519 282 H SER 34 H SER 34 -12.149 1.863 -14.499 283 HA SER 34 HA SER 34 -11.072 1.919 -17.100 284 HB2 SER 34 2HB SER 34 -9.761 0.923 -15.376 285 HB3 SER 34 3HB SER 34 -11.053 -0.198 -14.945 286 HG SER 34 HG SER 34 -9.783 -0.183 -17.479 287 H GLU 35 H GLU 35 -13.553 -0.139 -15.620 288 HA GLU 35 HA GLU 35 -14.008 -1.600 -18.060 289 HB2 GLU 35 2HB GLU 35 -15.284 -1.580 -15.342 290 HB3 GLU 35 3HB GLU 35 -16.053 -2.420 -16.681 291 HG2 GLU 35 2HG GLU 35 -13.307 -2.951 -15.572 292 HG3 GLU 35 3HG GLU 35 -14.739 -3.960 -15.375 293 H GLY 36 H GLY 36 -14.826 1.444 -17.064 294 HA2 GLY 36 2HA GLY 36 -16.097 2.959 -18.341 295 HA3 GLY 36 3HA GLY 36 -16.938 1.601 -19.074 296 H ILE 37 H ILE 37 -17.836 0.235 -16.861 297 HA ILE 37 HA ILE 37 -19.400 2.177 -15.320 298 HB ILE 37 HB ILE 37 -21.422 0.673 -15.635 299 HG12 ILE 37 2HG1 ILE 37 -20.408 -0.163 -18.273 300 HG13 ILE 37 3HG1 ILE 37 -19.663 -0.983 -16.905 301 HG21 ILE 37 1HG2 ILE 37 -20.370 2.216 -18.001 302 HG22 ILE 37 2HG2 ILE 37 -22.051 1.743 -17.760 303 HG23 ILE 37 3HG2 ILE 37 -21.283 2.871 -16.642 304 HD11 ILE 37 1HD1 ILE 37 -22.544 -0.844 -16.656 305 HD12 ILE 37 2HD1 ILE 37 -22.031 -1.660 -18.134 306 HD13 ILE 37 3HD1 ILE 37 -21.462 -2.234 -16.567 307 HA PRO 38 HA PRO 38 -18.641 -0.478 -11.906 308 HB2 PRO 38 2HB PRO 38 -20.876 -0.077 -10.419 309 HB3 PRO 38 3HB PRO 38 -19.604 1.139 -10.588 310 HG2 PRO 38 2HG PRO 38 -22.225 0.929 -12.018 311 HG3 PRO 38 3HG PRO 38 -21.435 2.362 -11.335 312 HD2 PRO 38 2HD PRO 38 -21.362 1.780 -13.979 313 HD3 PRO 38 3HD PRO 38 -20.029 2.605 -13.146 314 H GLY 39 H GLY 39 -18.878 -2.592 -11.438 315 HA2 GLY 39 2HA GLY 39 -20.411 -4.311 -12.980 316 HA3 GLY 39 3HA GLY 39 -19.730 -4.724 -11.414 317 H ASN 40 H ASN 40 -21.136 -3.048 -9.739 318 HA ASN 40 HA ASN 40 -23.877 -2.868 -10.087 319 HB2 ASN 40 2HB ASN 40 -23.008 -5.579 -9.697 320 HB3 ASN 40 3HB ASN 40 -23.981 -5.072 -8.319 321 HD21 ASN 40 1HD2 ASN 40 -26.075 -4.058 -8.838 322 HD22 ASN 40 2HD2 ASN 40 -26.958 -4.666 -10.193 323 H MET 41 H MET 41 -22.125 -4.428 -7.409 324 HA MET 41 HA MET 41 -22.952 -2.204 -5.681 325 HB2 MET 41 2HB MET 41 -22.400 -5.092 -5.231 326 HB3 MET 41 3HB MET 41 -22.030 -3.983 -3.917 327 HG2 MET 41 2HG MET 41 -24.438 -3.107 -4.327 328 HG3 MET 41 3HG MET 41 -24.665 -4.653 -5.142 329 HE1 MET 41 1HE MET 41 -25.811 -3.208 -2.009 330 HE2 MET 41 2HE MET 41 -24.736 -3.791 -0.739 331 HE3 MET 41 3HE MET 41 -24.121 -2.704 -1.985 332 H ILE 42 H ILE 42 -20.148 -4.069 -6.715 333 HA ILE 42 HA ILE 42 -17.904 -3.763 -6.428 334 HB ILE 42 HB ILE 42 -18.573 -0.824 -6.392 335 HG12 ILE 42 2HG1 ILE 42 -19.795 -1.848 -8.231 336 HG13 ILE 42 3HG1 ILE 42 -18.434 -0.929 -8.864 337 HG21 ILE 42 1HG2 ILE 42 -16.307 -1.487 -7.966 338 HG22 ILE 42 2HG2 ILE 42 -16.375 -0.544 -6.479 339 HG23 ILE 42 3HG2 ILE 42 -16.145 -2.291 -6.405 340 HD11 ILE 42 1HD1 ILE 42 -17.612 -3.619 -8.397 341 HD12 ILE 42 2HD1 ILE 42 -19.095 -3.611 -9.353 342 HD13 ILE 42 3HD1 ILE 42 -17.680 -2.719 -9.911 343 H ARG 43 H ARG 43 -18.801 -4.494 -4.083 344 HA ARG 43 HA ARG 43 -17.631 -2.594 -2.157 345 HB2 ARG 43 2HB ARG 43 -20.198 -3.785 -2.164 346 HB3 ARG 43 3HB ARG 43 -19.289 -4.542 -0.862 347 HG2 ARG 43 2HG ARG 43 -18.737 -1.830 -0.616 348 HG3 ARG 43 3HG ARG 43 -20.456 -1.910 -1.008 349 HD2 ARG 43 2HD ARG 43 -20.170 -3.920 0.834 350 HD3 ARG 43 3HD ARG 43 -19.042 -2.700 1.423 351 HE ARG 43 HE ARG 43 -21.876 -2.588 1.536 352 HH11 ARG 43 1HH1 ARG 43 -19.042 -0.613 1.104 353 HH12 ARG 43 2HH1 ARG 43 -19.790 0.825 1.716 354 HH21 ARG 43 1HH2 ARG 43 -22.873 -0.702 2.345 355 HH22 ARG 43 2HH2 ARG 43 -21.969 0.773 2.423 356 H LEU 44 H LEU 44 -15.789 -3.252 -1.285 357 HA LEU 44 HA LEU 44 -15.153 -6.120 -1.323 358 HB2 LEU 44 2HB LEU 44 -12.803 -5.367 -1.021 359 HB3 LEU 44 3HB LEU 44 -13.551 -4.836 -2.525 360 HG LEU 44 HG LEU 44 -13.673 -2.927 -0.276 361 HD11 LEU 44 1HD1 LEU 44 -11.370 -2.172 -0.640 362 HD12 LEU 44 2HD1 LEU 44 -11.082 -3.568 -1.678 363 HD13 LEU 44 3HD1 LEU 44 -11.430 -3.801 0.036 364 HD21 LEU 44 1HD2 LEU 44 -14.204 -1.624 -1.989 365 HD22 LEU 44 2HD2 LEU 44 -13.901 -2.946 -3.116 366 HD23 LEU 44 3HD2 LEU 44 -12.589 -1.859 -2.657 367 H VAL 45 H VAL 45 -14.048 -7.044 0.510 368 HA VAL 45 HA VAL 45 -14.600 -5.637 3.041 369 HB VAL 45 HB VAL 45 -14.830 -8.617 2.601 370 HG11 VAL 45 1HG1 VAL 45 -14.160 -7.797 4.883 371 HG12 VAL 45 2HG1 VAL 45 -15.724 -6.984 4.967 372 HG13 VAL 45 3HG1 VAL 45 -15.649 -8.741 4.827 373 HG21 VAL 45 1HG2 VAL 45 -17.318 -7.948 3.183 374 HG22 VAL 45 2HG2 VAL 45 -16.826 -6.416 2.461 375 HG23 VAL 45 3HG2 VAL 45 -16.718 -7.906 1.524 376 H TYR 46 H TYR 46 -12.808 -5.234 4.139 377 HA TYR 46 HA TYR 46 -10.421 -6.856 3.625 378 HB2 TYR 46 2HB TYR 46 -10.317 -4.359 3.375 379 HB3 TYR 46 3HB TYR 46 -10.604 -4.227 5.106 380 HD1 TYR 46 HD1 TYR 46 -8.898 -5.067 6.706 381 HD2 TYR 46 HD2 TYR 46 -8.166 -4.922 2.518 382 HE1 TYR 46 HE1 TYR 46 -6.484 -5.281 7.127 383 HE2 TYR 46 HE2 TYR 46 -5.750 -5.136 2.927 384 HH TYR 46 HH TYR 46 -4.466 -6.042 5.921 385 H GLN 47 H GLN 47 -9.841 -8.356 5.036 386 HA GLN 47 HA GLN 47 -9.711 -9.612 6.929 387 HB2 GLN 47 2HB GLN 47 -8.797 -7.099 7.548 388 HB3 GLN 47 3HB GLN 47 -10.005 -7.370 8.797 389 HG2 GLN 47 2HG GLN 47 -7.913 -9.425 8.204 390 HG3 GLN 47 3HG GLN 47 -7.575 -8.052 9.257 391 HE21 GLN 47 1HE2 GLN 47 -9.686 -10.827 8.799 392 HE22 GLN 47 2HE2 GLN 47 -10.076 -11.040 10.468 393 H GLY 48 H GLY 48 -12.335 -9.154 5.843 394 HA2 GLY 48 2HA GLY 48 -14.457 -9.853 6.437 395 HA3 GLY 48 3HA GLY 48 -13.882 -10.064 8.085 396 H LYS 49 H LYS 49 -13.131 -7.002 6.924 397 HA LYS 49 HA LYS 49 -15.503 -5.867 8.254 398 HB2 LYS 49 2HB LYS 49 -12.725 -5.473 8.761 399 HB3 LYS 49 3HB LYS 49 -13.386 -3.963 8.149 400 HG2 LYS 49 2HG LYS 49 -14.317 -3.527 10.106 401 HG3 LYS 49 3HG LYS 49 -15.177 -5.068 10.085 402 HD2 LYS 49 2HD LYS 49 -12.311 -4.725 10.963 403 HD3 LYS 49 3HD LYS 49 -13.693 -4.768 12.061 404 HE2 LYS 49 2HE LYS 49 -13.616 -6.998 10.174 405 HE3 LYS 49 3HE LYS 49 -12.222 -6.937 11.252 406 HZ1 LYS 49 1HZ LYS 49 -14.297 -6.478 12.921 407 HZ2 LYS 49 2HZ LYS 49 -13.552 -7.979 12.687 408 HZ3 LYS 49 3HZ LYS 49 -14.961 -7.592 11.835 409 H GLN 50 H GLN 50 -16.105 -3.670 7.507 410 HA GLN 50 HA GLN 50 -15.571 -3.343 4.628 411 HB2 GLN 50 2HB GLN 50 -18.136 -2.558 6.004 412 HB3 GLN 50 3HB GLN 50 -17.824 -2.653 4.276 413 HG2 GLN 50 2HG GLN 50 -17.516 -5.115 4.547 414 HG3 GLN 50 3HG GLN 50 -18.053 -4.938 6.216 415 HE21 GLN 50 1HE2 GLN 50 -19.091 -6.040 3.453 416 HE22 GLN 50 2HE2 GLN 50 -20.757 -5.586 3.492 417 H LEU 51 H LEU 51 -16.214 -1.039 3.899 418 HA LEU 51 HA LEU 51 -15.789 1.194 3.946 419 HB2 LEU 51 2HB LEU 51 -15.854 1.161 6.934 420 HB3 LEU 51 3HB LEU 51 -16.399 2.414 5.821 421 HG LEU 51 HG LEU 51 -17.791 -0.219 6.310 422 HD11 LEU 51 1HD1 LEU 51 -19.220 0.830 7.749 423 HD12 LEU 51 2HD1 LEU 51 -18.945 2.421 7.041 424 HD13 LEU 51 3HD1 LEU 51 -17.733 1.709 8.105 425 HD21 LEU 51 1HD2 LEU 51 -18.479 2.164 4.601 426 HD22 LEU 51 2HD2 LEU 51 -19.639 0.913 5.051 427 HD23 LEU 51 3HD2 LEU 51 -18.225 0.498 4.080 428 H GLU 52 H GLU 52 -13.691 1.119 3.200 429 HA GLU 52 HA GLU 52 -11.601 1.308 5.270 430 HB2 GLU 52 2HB GLU 52 -11.263 0.197 2.479 431 HB3 GLU 52 3HB GLU 52 -10.031 0.273 3.731 432 HG2 GLU 52 2HG GLU 52 -10.712 -1.626 4.653 433 HG3 GLU 52 3HG GLU 52 -12.402 -1.124 4.631 434 H ASP 53 H ASP 53 -13.282 2.957 2.957 435 HA ASP 53 HA ASP 53 -11.401 4.444 1.556 436 HB2 ASP 53 2HB ASP 53 -13.950 4.425 1.299 437 HB3 ASP 53 3HB ASP 53 -13.976 5.614 2.598 438 H GLU 54 H GLU 54 -12.610 4.840 4.834 439 HA GLU 54 HA GLU 54 -11.476 7.390 5.309 440 HB2 GLU 54 2HB GLU 54 -13.111 5.621 6.710 441 HB3 GLU 54 3HB GLU 54 -11.652 5.728 7.685 442 HG2 GLU 54 2HG GLU 54 -12.663 8.304 6.729 443 HG3 GLU 54 3HG GLU 54 -13.747 7.445 7.821 444 H LYS 55 H LYS 55 -10.131 4.252 5.121 445 HA LYS 55 HA LYS 55 -7.709 5.077 6.558 446 HB2 LYS 55 2HB LYS 55 -8.796 2.403 5.714 447 HB3 LYS 55 3HB LYS 55 -7.107 2.595 6.167 448 HG2 LYS 55 2HG LYS 55 -8.128 1.887 8.125 449 HG3 LYS 55 3HG LYS 55 -8.010 3.636 8.330 450 HD2 LYS 55 2HD LYS 55 -10.227 3.851 8.454 451 HD3 LYS 55 3HD LYS 55 -10.470 2.879 7.001 452 HE2 LYS 55 2HE LYS 55 -10.823 0.973 8.173 453 HE3 LYS 55 3HE LYS 55 -9.682 1.414 9.442 454 HZ1 LYS 55 1HZ LYS 55 -11.466 1.853 10.668 455 HZ2 LYS 55 2HZ LYS 55 -12.515 1.779 9.343 456 HZ3 LYS 55 3HZ LYS 55 -11.708 3.221 9.703 457 H ARG 56 H ARG 56 -8.289 6.227 4.018 458 HA ARG 56 HA ARG 56 -7.150 5.063 1.804 459 HB2 ARG 56 2HB ARG 56 -6.446 7.535 1.272 460 HB3 ARG 56 3HB ARG 56 -8.146 7.088 1.336 461 HG2 ARG 56 2HG ARG 56 -7.243 7.863 3.944 462 HG3 ARG 56 3HG ARG 56 -6.847 9.114 2.764 463 HD2 ARG 56 2HD ARG 56 -9.406 8.397 2.064 464 HD3 ARG 56 3HD ARG 56 -9.436 8.282 3.823 465 HE ARG 56 HE ARG 56 -8.216 10.697 3.129 466 HH11 ARG 56 1HH1 ARG 56 -11.333 9.159 2.934 467 HH12 ARG 56 2HH1 ARG 56 -12.217 10.648 3.005 468 HH21 ARG 56 1HH2 ARG 56 -9.368 12.663 3.224 469 HH22 ARG 56 2HH2 ARG 56 -11.099 12.640 3.170 470 H LEU 57 H LEU 57 -5.409 7.443 3.813 471 HA LEU 57 HA LEU 57 -2.868 6.657 2.810 472 HB2 LEU 57 2HB LEU 57 -3.664 8.896 3.885 473 HB3 LEU 57 3HB LEU 57 -3.211 8.112 5.397 474 HG LEU 57 HG LEU 57 -1.245 8.289 3.147 475 HD11 LEU 57 1HD1 LEU 57 -0.672 10.450 3.558 476 HD12 LEU 57 2HD1 LEU 57 -1.254 10.409 5.222 477 HD13 LEU 57 3HD1 LEU 57 -2.401 10.556 3.890 478 HD21 LEU 57 1HD2 LEU 57 -0.337 6.984 4.792 479 HD22 LEU 57 2HD2 LEU 57 -1.208 7.809 6.085 480 HD23 LEU 57 3HD2 LEU 57 0.192 8.577 5.335 481 H LYS 58 H LYS 58 -4.736 5.841 5.669 482 HA LYS 58 HA LYS 58 -2.747 4.592 7.180 483 HB2 LYS 58 2HB LYS 58 -5.584 4.858 7.267 484 HB3 LYS 58 3HB LYS 58 -5.190 3.160 7.506 485 HG2 LYS 58 2HG LYS 58 -3.447 4.828 9.071 486 HG3 LYS 58 3HG LYS 58 -5.140 5.198 9.407 487 HD2 LYS 58 2HD LYS 58 -5.541 2.767 9.748 488 HD3 LYS 58 3HD LYS 58 -3.808 2.494 9.554 489 HE2 LYS 58 2HE LYS 58 -3.292 3.472 11.564 490 HE3 LYS 58 3HE LYS 58 -4.719 4.507 11.550 491 HZ1 LYS 58 1HZ LYS 58 -5.565 1.842 11.651 492 HZ2 LYS 58 2HZ LYS 58 -5.747 3.042 12.828 493 HZ3 LYS 58 3HZ LYS 58 -4.378 2.048 12.838 494 H ASP 59 H ASP 59 -4.459 3.531 4.354 495 HA ASP 59 HA ASP 59 -3.695 0.759 4.661 496 HB2 ASP 59 2HB ASP 59 -5.335 2.335 2.763 497 HB3 ASP 59 3HB ASP 59 -4.540 0.910 2.100 498 H TYR 60 H TYR 60 -2.261 3.590 3.480 499 HA TYR 60 HA TYR 60 -0.631 2.377 1.450 500 HB2 TYR 60 2HB TYR 60 -1.205 4.741 1.299 501 HB3 TYR 60 3HB TYR 60 -0.409 5.056 2.837 502 HD1 TYR 60 HD1 TYR 60 1.814 5.732 2.858 503 HD2 TYR 60 HD2 TYR 60 0.290 3.756 -0.588 504 HE1 TYR 60 HE1 TYR 60 3.928 6.171 1.678 505 HE2 TYR 60 HE2 TYR 60 2.399 4.188 -1.776 506 HH TYR 60 HH TYR 60 4.466 6.347 -1.127 507 H GLN 61 H GLN 61 -0.461 2.756 4.864 508 HA GLN 61 HA GLN 61 2.405 2.380 5.011 509 HB2 GLN 61 2HB GLN 61 2.221 2.776 7.284 510 HB3 GLN 61 3HB GLN 61 0.871 3.707 6.649 511 HG2 GLN 61 2HG GLN 61 -0.524 1.598 7.106 512 HG3 GLN 61 3HG GLN 61 0.833 1.102 8.116 513 HE21 GLN 61 1HE2 GLN 61 -0.831 4.184 7.539 514 HE22 GLN 61 2HE2 GLN 61 -1.143 4.522 9.204 515 H MET 62 H MET 62 -0.253 0.398 4.565 516 HA MET 62 HA MET 62 0.705 -1.876 6.058 517 HB2 MET 62 2HB MET 62 -1.380 -1.946 3.888 518 HB3 MET 62 3HB MET 62 -1.205 -3.022 5.268 519 HG2 MET 62 2HG MET 62 -1.913 -0.108 5.485 520 HG3 MET 62 3HG MET 62 -3.094 -1.415 5.431 521 HE1 MET 62 1HE MET 62 -3.281 -2.771 8.865 522 HE2 MET 62 2HE MET 62 -4.084 -2.353 7.352 523 HE3 MET 62 3HE MET 62 -2.810 -3.573 7.366 524 H SER 63 H SER 63 0.218 -1.233 2.580 525 HA SER 63 HA SER 63 1.191 -2.127 0.724 526 HB2 SER 63 2HB SER 63 3.682 -2.394 2.408 527 HB3 SER 63 3HB SER 63 3.571 -2.104 0.672 528 HG SER 63 HG SER 63 4.039 -0.229 2.067 529 H ALA 64 H ALA 64 -0.145 -3.970 2.479 530 HA ALA 64 HA ALA 64 0.586 -6.403 1.308 531 HB1 ALA 64 1HB ALA 64 2.514 -6.591 2.584 532 HB2 ALA 64 2HB ALA 64 1.757 -5.890 4.015 533 HB3 ALA 64 3HB ALA 64 1.338 -7.526 3.508 534 H GLY 65 H GLY 65 -1.799 -5.080 1.658 535 HA2 GLY 65 2HA GLY 65 -3.202 -6.751 3.652 536 HA3 GLY 65 3HA GLY 65 -3.732 -5.144 3.175 537 H ALA 66 H ALA 66 -4.202 -8.407 2.722 538 HA ALA 66 HA ALA 66 -4.848 -8.578 -0.010 539 HB1 ALA 66 1HB ALA 66 -6.122 -10.590 0.619 540 HB2 ALA 66 2HB ALA 66 -4.510 -10.561 1.336 541 HB3 ALA 66 3HB ALA 66 -5.920 -10.165 2.320 542 H THR 67 H THR 67 -6.622 -8.058 -1.157 543 HA THR 67 HA THR 67 -8.944 -6.995 0.316 544 HB THR 67 HB THR 67 -8.890 -5.815 -2.258 545 HG1 THR 67 HG1 THR 67 -6.452 -5.366 -0.857 546 HG21 THR 67 1HG2 THR 67 -8.090 -4.414 0.274 547 HG22 THR 67 2HG2 THR 67 -9.738 -4.993 0.036 548 HG23 THR 67 3HG2 THR 67 -9.052 -3.807 -1.073 549 H PHE 68 H PHE 68 -10.953 -7.571 -0.391 550 HA PHE 68 HA PHE 68 -11.109 -9.278 -2.781 551 HB2 PHE 68 2HB PHE 68 -11.168 -10.804 -0.941 552 HB3 PHE 68 3HB PHE 68 -12.311 -9.795 -0.061 553 HD1 PHE 68 HD1 PHE 68 -12.028 -11.603 -3.311 554 HD2 PHE 68 HD2 PHE 68 -14.524 -10.399 -0.080 555 HE1 PHE 68 HE1 PHE 68 -13.894 -12.880 -4.281 556 HE2 PHE 68 HE2 PHE 68 -16.394 -11.675 -1.045 557 HZ PHE 68 HZ PHE 68 -16.080 -12.918 -3.147 558 H HIS 69 H HIS 69 -12.355 -8.278 -4.209 559 HA HIS 69 HA HIS 69 -14.429 -6.439 -3.320 560 HB2 HIS 69 2HB HIS 69 -13.269 -7.076 -6.033 561 HB3 HIS 69 3HB HIS 69 -14.647 -6.001 -5.814 562 HD1 HIS 69 HD1 HIS 69 -11.530 -6.090 -3.664 563 HD2 HIS 69 HD2 HIS 69 -13.461 -3.605 -6.377 564 HE1 HIS 69 HE1 HIS 69 -10.261 -3.920 -3.610 565 H MET 70 H MET 70 -16.609 -6.647 -3.789 566 HA MET 70 HA MET 70 -17.464 -9.253 -4.860 567 HB2 MET 70 2HB MET 70 -17.726 -9.285 -2.438 568 HB3 MET 70 3HB MET 70 -18.631 -7.778 -2.492 569 HG2 MET 70 2HG MET 70 -20.519 -8.882 -2.787 570 HG3 MET 70 3HG MET 70 -19.874 -9.658 -4.231 571 HE1 MET 70 1HE MET 70 -20.933 -11.484 -0.342 572 HE2 MET 70 2HE MET 70 -19.720 -10.230 -0.083 573 HE3 MET 70 3HE MET 70 -21.208 -9.852 -0.952 574 H VAL 71 H VAL 71 -18.989 -9.180 -6.398 575 HA VAL 71 HA VAL 71 -20.402 -6.627 -6.821 576 HB VAL 71 HB VAL 71 -19.484 -8.515 -8.993 577 HG11 VAL 71 1HG1 VAL 71 -20.174 -6.767 -10.521 578 HG12 VAL 71 2HG1 VAL 71 -21.531 -7.236 -9.496 579 HG13 VAL 71 3HG1 VAL 71 -20.654 -5.740 -9.171 580 HG21 VAL 71 1HG2 VAL 71 -17.897 -6.683 -9.574 581 HG22 VAL 71 2HG2 VAL 71 -18.324 -5.895 -8.055 582 HG23 VAL 71 3HG2 VAL 71 -17.544 -7.477 -8.039 583 H VAL 72 H VAL 72 -22.469 -6.928 -6.314 584 HA VAL 72 HA VAL 72 -23.716 -9.534 -6.698 585 HB VAL 72 HB VAL 72 -25.161 -7.143 -5.616 586 HG11 VAL 72 1HG1 VAL 72 -25.773 -9.848 -5.971 587 HG12 VAL 72 2HG1 VAL 72 -25.523 -9.642 -4.236 588 HG13 VAL 72 3HG1 VAL 72 -26.708 -8.646 -5.082 589 HG21 VAL 72 1HG2 VAL 72 -24.332 -7.741 -3.358 590 HG22 VAL 72 2HG2 VAL 72 -23.180 -8.847 -4.107 591 HG23 VAL 72 3HG2 VAL 72 -23.069 -7.114 -4.417 592 H ALA 73 H ALA 73 -24.341 -9.880 -8.746 593 HA ALA 73 HA ALA 73 -25.992 -7.805 -10.034 594 HB1 ALA 73 1HB ALA 73 -24.477 -9.758 -11.694 595 HB2 ALA 73 2HB ALA 73 -24.987 -8.111 -12.070 596 HB3 ALA 73 3HB ALA 73 -23.617 -8.387 -10.993 597 H LEU 74 H LEU 74 -28.005 -8.569 -9.633 598 HA LEU 74 HA LEU 74 -28.581 -11.349 -10.418 599 HB2 LEU 74 2HB LEU 74 -30.494 -11.258 -8.917 600 HB3 LEU 74 3HB LEU 74 -28.989 -10.925 -8.061 601 HG LEU 74 HG LEU 74 -30.055 -8.429 -8.836 602 HD11 LEU 74 1HD1 LEU 74 -32.110 -10.305 -7.690 603 HD12 LEU 74 2HD1 LEU 74 -32.219 -9.346 -9.165 604 HD13 LEU 74 3HD1 LEU 74 -32.233 -8.548 -7.592 605 HD21 LEU 74 1HD2 LEU 74 -29.818 -7.933 -6.602 606 HD22 LEU 74 2HD2 LEU 74 -28.725 -9.307 -6.767 607 HD23 LEU 74 3HD2 LEU 74 -30.333 -9.537 -6.079 608 H ARG 75 H ARG 75 -29.378 -8.004 -10.872 609 HA ARG 75 HA ARG 75 -31.790 -8.523 -12.365 610 HB2 ARG 75 2HB ARG 75 -30.345 -6.176 -11.375 611 HB3 ARG 75 3HB ARG 75 -31.050 -5.940 -12.969 612 HG2 ARG 75 2HG ARG 75 -33.199 -6.123 -12.202 613 HG3 ARG 75 3HG ARG 75 -32.735 -7.120 -10.821 614 HD2 ARG 75 2HD ARG 75 -31.427 -4.844 -10.222 615 HD3 ARG 75 3HD ARG 75 -32.798 -4.185 -11.113 616 HE ARG 75 HE ARG 75 -33.869 -5.970 -9.315 617 HH11 ARG 75 1HH1 ARG 75 -31.925 -3.086 -9.157 618 HH12 ARG 75 2HH1 ARG 75 -32.539 -2.600 -7.611 619 HH21 ARG 75 1HH2 ARG 75 -34.684 -5.341 -7.279 620 HH22 ARG 75 2HH2 ARG 75 -34.107 -3.884 -6.543 621 H ALA 76 H ALA 76 -28.578 -7.206 -13.187 622 HA ALA 76 HA ALA 76 -28.460 -8.668 -15.633 623 HB1 ALA 76 1HB ALA 76 -29.804 -6.175 -15.727 624 HB2 ALA 76 2HB ALA 76 -28.262 -5.991 -16.564 625 HB3 ALA 76 3HB ALA 76 -29.390 -7.251 -17.062 626 H GLY 77 H GLY 77 -26.478 -8.165 -16.877 627 HA2 GLY 77 2HA GLY 77 -24.300 -7.298 -17.060 628 HA3 GLY 77 3HA GLY 77 -24.471 -6.589 -15.461 629 H CYS 78 H CYS 78 -23.907 -9.599 -17.206 630 HA CYS 78 HA CYS 78 -22.474 -10.597 -14.838 631 HB2 CYS 78 2HB CYS 78 -24.795 -11.681 -15.446 632 HB3 CYS 78 3HB CYS 78 -23.853 -12.512 -16.679 633 HG CYS 78 HG CYS 78 -22.271 -12.756 -13.819 Start of MODEL 8 1 H MET 1 H MET 1 1.626 0.193 0.943 2 HA MET 1 HA MET 1 1.758 0.961 -1.617 3 HB2 MET 1 2HB MET 1 3.651 0.330 0.071 4 HB3 MET 1 3HB MET 1 3.640 -1.214 -0.771 5 HG2 MET 1 2HG MET 1 3.771 0.411 -2.882 6 HG3 MET 1 3HG MET 1 4.548 1.443 -1.684 7 HE1 MET 1 1HE MET 1 6.261 1.546 -3.298 8 HE2 MET 1 2HE MET 1 7.756 0.682 -2.937 9 HE3 MET 1 3HE MET 1 6.726 0.147 -4.266 10 H LEU 2 H LEU 2 2.137 -2.503 -0.843 11 HA LEU 2 HA LEU 2 1.031 -3.126 -3.492 12 HB2 LEU 2 2HB LEU 2 3.232 -4.016 -3.147 13 HB3 LEU 2 3HB LEU 2 2.748 -4.735 -1.612 14 HG LEU 2 HG LEU 2 1.295 -5.637 -4.032 15 HD11 LEU 2 1HD1 LEU 2 4.158 -5.663 -3.903 16 HD12 LEU 2 2HD1 LEU 2 3.091 -6.256 -5.174 17 HD13 LEU 2 3HD1 LEU 2 3.536 -7.312 -3.834 18 HD21 LEU 2 1HD2 LEU 2 1.940 -7.840 -2.690 19 HD22 LEU 2 2HD2 LEU 2 0.575 -6.821 -2.230 20 HD23 LEU 2 3HD2 LEU 2 2.113 -6.675 -1.377 21 H LEU 3 H LEU 3 -0.911 -4.033 -3.661 22 HA LEU 3 HA LEU 3 -1.994 -5.557 -1.407 23 HB2 LEU 3 2HB LEU 3 -3.979 -4.371 -1.270 24 HB3 LEU 3 3HB LEU 3 -2.761 -3.109 -1.444 25 HG LEU 3 HG LEU 3 -4.485 -4.143 -3.693 26 HD11 LEU 3 1HD1 LEU 3 -6.114 -2.818 -2.992 27 HD12 LEU 3 2HD1 LEU 3 -5.018 -1.437 -2.996 28 HD13 LEU 3 3HD1 LEU 3 -5.175 -2.433 -1.550 29 HD21 LEU 3 1HD2 LEU 3 -2.402 -2.004 -3.454 30 HD22 LEU 3 2HD2 LEU 3 -3.690 -1.882 -4.653 31 HD23 LEU 3 3HD2 LEU 3 -2.583 -3.255 -4.685 32 H LYS 4 H LYS 4 -3.530 -7.121 -1.966 33 HA LYS 4 HA LYS 4 -3.686 -7.691 -4.852 34 HB2 LYS 4 2HB LYS 4 -2.422 -9.402 -3.743 35 HB3 LYS 4 3HB LYS 4 -3.635 -9.557 -2.479 36 HG2 LYS 4 2HG LYS 4 -5.233 -10.392 -4.167 37 HG3 LYS 4 3HG LYS 4 -3.946 -10.326 -5.373 38 HD2 LYS 4 2HD LYS 4 -3.351 -11.789 -2.870 39 HD3 LYS 4 3HD LYS 4 -4.522 -12.531 -3.963 40 HE2 LYS 4 2HE LYS 4 -2.711 -11.979 -5.776 41 HE3 LYS 4 3HE LYS 4 -1.626 -11.945 -4.386 42 HZ1 LYS 4 1HZ LYS 4 -3.432 -14.231 -4.659 43 HZ2 LYS 4 2HZ LYS 4 -1.865 -14.163 -4.027 44 HZ3 LYS 4 3HZ LYS 4 -2.103 -14.151 -5.702 45 H VAL 5 H VAL 5 -5.619 -7.211 -5.649 46 HA VAL 5 HA VAL 5 -7.987 -7.508 -3.936 47 HB VAL 5 HB VAL 5 -9.154 -6.108 -5.598 48 HG11 VAL 5 1HG1 VAL 5 -7.718 -4.010 -5.203 49 HG12 VAL 5 2HG1 VAL 5 -8.332 -4.880 -3.795 50 HG13 VAL 5 3HG1 VAL 5 -6.654 -5.086 -4.298 51 HG21 VAL 5 1HG2 VAL 5 -7.026 -4.955 -7.016 52 HG22 VAL 5 2HG2 VAL 5 -6.816 -6.700 -7.159 53 HG23 VAL 5 3HG2 VAL 5 -8.332 -5.950 -7.658 54 H LYS 6 H LYS 6 -9.406 -9.084 -4.293 55 HA LYS 6 HA LYS 6 -9.392 -10.424 -6.916 56 HB2 LYS 6 2HB LYS 6 -9.998 -12.528 -5.583 57 HB3 LYS 6 3HB LYS 6 -8.325 -11.987 -5.526 58 HG2 LYS 6 2HG LYS 6 -9.812 -10.765 -3.404 59 HG3 LYS 6 3HG LYS 6 -10.039 -12.515 -3.374 60 HD2 LYS 6 2HD LYS 6 -7.283 -11.472 -3.771 61 HD3 LYS 6 3HD LYS 6 -7.992 -11.343 -2.160 62 HE2 LYS 6 2HE LYS 6 -8.036 -13.926 -3.685 63 HE3 LYS 6 3HE LYS 6 -6.631 -13.449 -2.733 64 HZ1 LYS 6 1HZ LYS 6 -8.476 -14.882 -1.661 65 HZ2 LYS 6 2HZ LYS 6 -9.304 -13.416 -1.504 66 HZ3 LYS 6 3HZ LYS 6 -7.792 -13.616 -0.772 67 H THR 7 H THR 7 -11.294 -10.302 -7.891 68 HA THR 7 HA THR 7 -13.655 -9.535 -6.385 69 HB THR 7 HB THR 7 -14.737 -9.208 -8.521 70 HG1 THR 7 HG1 THR 7 -13.586 -9.730 -10.460 71 HG21 THR 7 1HG2 THR 7 -12.328 -7.908 -7.745 72 HG22 THR 7 2HG2 THR 7 -13.691 -7.247 -8.648 73 HG23 THR 7 3HG2 THR 7 -12.354 -8.014 -9.505 74 H VAL 8 H VAL 8 -15.771 -10.620 -7.089 75 HA VAL 8 HA VAL 8 -15.642 -13.360 -6.355 76 HB VAL 8 HB VAL 8 -17.571 -11.864 -5.847 77 HG11 VAL 8 1HG1 VAL 8 -17.565 -10.901 -8.220 78 HG12 VAL 8 2HG1 VAL 8 -18.489 -12.337 -8.665 79 HG13 VAL 8 3HG1 VAL 8 -19.128 -11.212 -7.466 80 HG21 VAL 8 1HG2 VAL 8 -19.116 -13.586 -5.847 81 HG22 VAL 8 2HG2 VAL 8 -18.602 -14.188 -7.423 82 HG23 VAL 8 3HG2 VAL 8 -17.592 -14.459 -6.003 83 H SER 9 H SER 9 -15.151 -11.820 -9.294 84 HA SER 9 HA SER 9 -16.182 -13.968 -10.952 85 HB2 SER 9 2HB SER 9 -15.123 -11.248 -11.399 86 HB3 SER 9 3HB SER 9 -14.743 -12.419 -12.662 87 HG SER 9 HG SER 9 -16.703 -11.515 -13.169 88 H ASN 10 H ASN 10 -13.763 -14.030 -8.972 89 HA ASN 10 HA ASN 10 -11.861 -15.270 -8.803 90 HB2 ASN 10 2HB ASN 10 -13.359 -16.591 -10.728 91 HB3 ASN 10 3HB ASN 10 -11.794 -16.370 -11.504 92 HD21 ASN 10 1HD2 ASN 10 -13.570 -18.027 -9.095 93 HD22 ASN 10 2HD2 ASN 10 -12.293 -19.049 -8.538 94 H LYS 11 H LYS 11 -11.879 -12.560 -9.885 95 HA LYS 11 HA LYS 11 -9.502 -12.638 -11.617 96 HB2 LYS 11 2HB LYS 11 -11.568 -10.481 -11.168 97 HB3 LYS 11 3HB LYS 11 -10.080 -10.222 -12.069 98 HG2 LYS 11 2HG LYS 11 -10.746 -11.925 -13.679 99 HG3 LYS 11 3HG LYS 11 -12.230 -12.213 -12.768 100 HD2 LYS 11 2HD LYS 11 -12.975 -9.950 -13.200 101 HD3 LYS 11 3HD LYS 11 -11.455 -9.577 -14.016 102 HE2 LYS 11 2HE LYS 11 -12.501 -11.890 -15.244 103 HE3 LYS 11 3HE LYS 11 -13.838 -10.753 -15.078 104 HZ1 LYS 11 1HZ LYS 11 -11.680 -10.695 -16.898 105 HZ2 LYS 11 2HZ LYS 11 -11.655 -9.291 -15.957 106 HZ3 LYS 11 3HZ LYS 11 -13.043 -9.694 -16.836 107 H VAL 12 H VAL 12 -7.748 -12.645 -10.339 108 HA VAL 12 HA VAL 12 -7.658 -10.778 -8.068 109 HB VAL 12 HB VAL 12 -5.771 -13.069 -8.613 110 HG11 VAL 12 1HG1 VAL 12 -5.519 -10.911 -6.920 111 HG12 VAL 12 2HG1 VAL 12 -6.145 -12.182 -5.868 112 HG13 VAL 12 3HG1 VAL 12 -4.659 -12.445 -6.782 113 HG21 VAL 12 1HG2 VAL 12 -7.280 -13.788 -6.436 114 HG22 VAL 12 2HG2 VAL 12 -8.472 -13.051 -7.507 115 HG23 VAL 12 3HG2 VAL 12 -7.489 -14.400 -8.077 116 H ILE 13 H ILE 13 -6.391 -9.042 -8.159 117 HA ILE 13 HA ILE 13 -4.228 -8.983 -10.158 118 HB ILE 13 HB ILE 13 -6.078 -6.703 -9.449 119 HG12 ILE 13 2HG1 ILE 13 -7.144 -8.314 -10.928 120 HG13 ILE 13 3HG1 ILE 13 -6.749 -6.855 -11.829 121 HG21 ILE 13 1HG2 ILE 13 -4.249 -5.485 -9.942 122 HG22 ILE 13 2HG2 ILE 13 -3.460 -6.817 -10.786 123 HG23 ILE 13 3HG2 ILE 13 -4.692 -5.860 -11.608 124 HD11 ILE 13 1HD1 ILE 13 -5.722 -8.119 -13.319 125 HD12 ILE 13 2HD1 ILE 13 -4.540 -8.564 -12.087 126 HD13 ILE 13 3HD1 ILE 13 -5.978 -9.556 -12.330 127 H GLN 14 H GLN 14 -2.331 -8.818 -9.180 128 HA GLN 14 HA GLN 14 -2.183 -7.470 -6.575 129 HB2 GLN 14 2HB GLN 14 -1.381 -9.732 -6.486 130 HB3 GLN 14 3HB GLN 14 -0.359 -9.480 -7.895 131 HG2 GLN 14 2HG GLN 14 0.330 -7.557 -5.914 132 HG3 GLN 14 3HG GLN 14 0.294 -9.156 -5.171 133 HE21 GLN 14 1HE2 GLN 14 1.163 -8.159 -8.451 134 HE22 GLN 14 2HE2 GLN 14 2.775 -8.778 -8.401 135 H ILE 15 H ILE 15 -1.483 -5.448 -6.604 136 HA ILE 15 HA ILE 15 0.535 -4.688 -8.615 137 HB ILE 15 HB ILE 15 -0.385 -2.363 -8.433 138 HG12 ILE 15 2HG1 ILE 15 -2.665 -3.784 -7.039 139 HG13 ILE 15 3HG1 ILE 15 -1.556 -2.641 -6.288 140 HG21 ILE 15 1HG2 ILE 15 -1.862 -2.703 -10.153 141 HG22 ILE 15 2HG2 ILE 15 -1.006 -4.243 -10.155 142 HG23 ILE 15 3HG2 ILE 15 -2.591 -4.117 -9.394 143 HD11 ILE 15 1HD1 ILE 15 -2.580 -1.278 -8.473 144 HD12 ILE 15 2HD1 ILE 15 -3.956 -2.156 -7.803 145 HD13 ILE 15 3HD1 ILE 15 -3.024 -1.062 -6.780 146 H THR 16 H THR 16 2.103 -3.135 -7.979 147 HA THR 16 HA THR 16 2.437 -2.896 -5.059 148 HB THR 16 HB THR 16 4.101 -4.435 -5.872 149 HG1 THR 16 HG1 THR 16 5.999 -3.197 -5.319 150 HG21 THR 16 1HG2 THR 16 4.201 -2.582 -8.120 151 HG22 THR 16 2HG2 THR 16 4.667 -4.281 -8.034 152 HG23 THR 16 3HG2 THR 16 5.801 -3.028 -7.530 153 H SER 17 H SER 17 1.070 -0.900 -5.932 154 HA SER 17 HA SER 17 2.718 1.372 -5.593 155 HB2 SER 17 2HB SER 17 3.407 1.223 -7.838 156 HB3 SER 17 3HB SER 17 1.807 0.727 -8.389 157 HG SER 17 HG SER 17 2.111 3.235 -7.176 158 H LEU 18 H LEU 18 1.089 1.568 -3.963 159 HA LEU 18 HA LEU 18 -1.550 2.406 -4.955 160 HB2 LEU 18 2HB LEU 18 -0.723 0.773 -2.776 161 HB3 LEU 18 3HB LEU 18 -1.512 2.208 -2.124 162 HG LEU 18 HG LEU 18 -2.694 0.188 -4.026 163 HD11 LEU 18 1HD1 LEU 18 -4.372 0.185 -2.014 164 HD12 LEU 18 2HD1 LEU 18 -2.972 0.775 -1.119 165 HD13 LEU 18 3HD1 LEU 18 -2.893 -0.775 -1.956 166 HD21 LEU 18 1HD2 LEU 18 -3.680 2.132 -4.773 167 HD22 LEU 18 2HD2 LEU 18 -3.602 2.908 -3.190 168 HD23 LEU 18 3HD2 LEU 18 -4.791 1.640 -3.494 169 H THR 19 H THR 19 -2.533 4.293 -4.084 170 HA THR 19 HA THR 19 -0.655 6.434 -3.649 171 HB THR 19 HB THR 19 -3.521 7.015 -3.267 172 HG1 THR 19 HG1 THR 19 -4.123 6.518 -5.323 173 HG21 THR 19 1HG2 THR 19 -2.914 9.010 -4.100 174 HG22 THR 19 2HG2 THR 19 -2.052 8.281 -5.456 175 HG23 THR 19 3HG2 THR 19 -1.259 8.439 -3.889 176 H ASP 20 H ASP 20 -1.499 8.155 -1.939 177 HA ASP 20 HA ASP 20 -1.941 6.731 0.603 178 HB2 ASP 20 2HB ASP 20 -0.558 8.827 1.488 179 HB3 ASP 20 3HB ASP 20 0.237 7.354 0.941 180 H ASP 21 H ASP 21 -3.202 8.880 -1.537 181 HA ASP 21 HA ASP 21 -4.391 10.656 0.450 182 HB2 ASP 21 2HB ASP 21 -4.750 10.641 -2.554 183 HB3 ASP 21 3HB ASP 21 -5.260 11.909 -1.443 184 H ASN 22 H ASN 22 -5.434 8.368 -2.066 185 HA ASN 22 HA ASN 22 -8.010 8.136 -0.654 186 HB2 ASN 22 2HB ASN 22 -7.349 8.335 -3.538 187 HB3 ASN 22 3HB ASN 22 -8.616 7.190 -3.105 188 HD21 ASN 22 1HD2 ASN 22 -7.779 10.291 -1.636 189 HD22 ASN 22 2HD2 ASN 22 -9.303 11.046 -1.939 190 H THR 23 H THR 23 -5.751 6.345 -2.744 191 HA THR 23 HA THR 23 -5.098 4.164 -2.763 192 HB THR 23 HB THR 23 -6.180 4.177 0.061 193 HG1 THR 23 HG1 THR 23 -3.775 4.196 0.410 194 HG21 THR 23 1HG2 THR 23 -5.856 1.973 0.084 195 HG22 THR 23 2HG2 THR 23 -4.148 2.251 -0.257 196 HG23 THR 23 3HG2 THR 23 -5.284 2.005 -1.583 197 H ILE 24 H ILE 24 -7.774 3.543 -0.562 198 HA ILE 24 HA ILE 24 -8.826 1.443 -2.090 199 HB ILE 24 HB ILE 24 -10.201 3.118 0.014 200 HG12 ILE 24 2HG1 ILE 24 -9.682 0.733 1.180 201 HG13 ILE 24 3HG1 ILE 24 -8.312 0.838 0.081 202 HG21 ILE 24 1HG2 ILE 24 -11.529 0.877 0.210 203 HG22 ILE 24 2HG2 ILE 24 -11.977 2.072 -1.007 204 HG23 ILE 24 3HG2 ILE 24 -11.022 0.661 -1.465 205 HD11 ILE 24 1HD1 ILE 24 -8.631 3.340 1.403 206 HD12 ILE 24 2HD1 ILE 24 -8.620 2.044 2.599 207 HD13 ILE 24 3HD1 ILE 24 -7.279 2.210 1.466 208 H ALA 25 H ALA 25 -10.315 4.637 -1.510 209 HA ALA 25 HA ALA 25 -12.361 4.433 -3.363 210 HB1 ALA 25 1HB ALA 25 -11.542 6.341 -1.605 211 HB2 ALA 25 2HB ALA 25 -11.205 7.117 -3.152 212 HB3 ALA 25 3HB ALA 25 -12.834 6.549 -2.788 213 H GLU 26 H GLU 26 -9.003 5.367 -3.834 214 HA GLU 26 HA GLU 26 -9.303 6.297 -6.500 215 HB2 GLU 26 2HB GLU 26 -7.374 6.787 -4.930 216 HB3 GLU 26 3HB GLU 26 -6.788 5.166 -5.276 217 HG2 GLU 26 2HG GLU 26 -5.577 6.467 -6.741 218 HG3 GLU 26 3HG GLU 26 -6.907 5.893 -7.746 219 H LEU 27 H LEU 27 -8.416 3.176 -5.092 220 HA LEU 27 HA LEU 27 -7.821 1.885 -7.538 221 HB2 LEU 27 2HB LEU 27 -7.763 1.243 -4.816 222 HB3 LEU 27 3HB LEU 27 -8.864 0.079 -5.551 223 HG LEU 27 HG LEU 27 -5.960 0.533 -6.210 224 HD11 LEU 27 1HD1 LEU 27 -5.561 -1.219 -4.908 225 HD12 LEU 27 2HD1 LEU 27 -6.809 -2.172 -5.709 226 HD13 LEU 27 3HD1 LEU 27 -7.234 -1.120 -4.359 227 HD21 LEU 27 1HD2 LEU 27 -6.483 -0.051 -8.301 228 HD22 LEU 27 2HD2 LEU 27 -8.120 -0.532 -7.852 229 HD23 LEU 27 3HD2 LEU 27 -6.780 -1.660 -7.643 230 H LYS 28 H LYS 28 -10.738 1.855 -5.498 231 HA LYS 28 HA LYS 28 -12.271 0.231 -7.227 232 HB2 LYS 28 2HB LYS 28 -14.174 0.888 -5.891 233 HB3 LYS 28 3HB LYS 28 -12.796 0.618 -4.831 234 HG2 LYS 28 2HG LYS 28 -12.412 3.083 -4.826 235 HG3 LYS 28 3HG LYS 28 -13.928 3.262 -5.714 236 HD2 LYS 28 2HD LYS 28 -13.611 1.993 -2.993 237 HD3 LYS 28 3HD LYS 28 -14.249 3.608 -3.312 238 HE2 LYS 28 2HE LYS 28 -15.737 1.917 -4.947 239 HE3 LYS 28 3HE LYS 28 -15.571 1.037 -3.429 240 HZ1 LYS 28 1HZ LYS 28 -17.525 2.644 -3.694 241 HZ2 LYS 28 2HZ LYS 28 -16.388 3.872 -3.450 242 HZ3 LYS 28 3HZ LYS 28 -16.641 2.704 -2.253 243 H GLY 29 H GLY 29 -11.805 3.715 -6.998 244 HA2 GLY 29 2HA GLY 29 -13.878 4.443 -8.795 245 HA3 GLY 29 3HA GLY 29 -12.506 5.444 -8.342 246 H LYS 30 H LYS 30 -10.517 3.534 -9.257 247 HA LYS 30 HA LYS 30 -10.420 4.347 -12.001 248 HB2 LYS 30 2HB LYS 30 -8.630 2.765 -10.191 249 HB3 LYS 30 3HB LYS 30 -8.339 2.761 -11.926 250 HG2 LYS 30 2HG LYS 30 -8.723 5.427 -10.783 251 HG3 LYS 30 3HG LYS 30 -7.312 4.563 -10.167 252 HD2 LYS 30 2HD LYS 30 -6.800 4.066 -12.640 253 HD3 LYS 30 3HD LYS 30 -7.955 5.354 -12.991 254 HE2 LYS 30 2HE LYS 30 -6.643 6.936 -11.733 255 HE3 LYS 30 3HE LYS 30 -5.546 5.661 -11.203 256 HZ1 LYS 30 1HZ LYS 30 -4.682 5.427 -13.353 257 HZ2 LYS 30 2HZ LYS 30 -4.776 7.098 -13.111 258 HZ3 LYS 30 3HZ LYS 30 -5.935 6.316 -14.063 259 H LEU 31 H LEU 31 -11.195 1.396 -10.282 260 HA LEU 31 HA LEU 31 -11.119 -0.339 -12.526 261 HB2 LEU 31 2HB LEU 31 -11.349 -0.683 -9.843 262 HB3 LEU 31 3HB LEU 31 -13.002 -0.994 -10.367 263 HG LEU 31 HG LEU 31 -10.635 -2.421 -11.555 264 HD11 LEU 31 1HD1 LEU 31 -10.402 -3.161 -9.402 265 HD12 LEU 31 2HD1 LEU 31 -11.605 -4.303 -10.000 266 HD13 LEU 31 3HD1 LEU 31 -12.108 -2.928 -9.018 267 HD21 LEU 31 1HD2 LEU 31 -13.268 -2.273 -12.335 268 HD22 LEU 31 2HD2 LEU 31 -13.215 -3.762 -11.392 269 HD23 LEU 31 3HD2 LEU 31 -12.131 -3.550 -12.767 270 H GLU 32 H GLU 32 -13.711 1.492 -10.955 271 HA GLU 32 HA GLU 32 -15.801 0.499 -12.591 272 HB2 GLU 32 2HB GLU 32 -17.084 2.449 -11.738 273 HB3 GLU 32 3HB GLU 32 -16.320 1.509 -10.464 274 HG2 GLU 32 2HG GLU 32 -14.495 3.167 -10.382 275 HG3 GLU 32 3HG GLU 32 -15.353 4.128 -11.585 276 H GLU 33 H GLU 33 -13.740 3.370 -12.778 277 HA GLU 33 HA GLU 33 -15.031 4.509 -15.030 278 HB2 GLU 33 2HB GLU 33 -13.416 5.613 -13.345 279 HB3 GLU 33 3HB GLU 33 -12.136 4.948 -14.350 280 HG2 GLU 33 2HG GLU 33 -12.563 7.234 -14.966 281 HG3 GLU 33 3HG GLU 33 -13.036 6.160 -16.281 282 H SER 34 H SER 34 -12.438 2.187 -14.640 283 HA SER 34 HA SER 34 -11.450 2.234 -17.276 284 HB2 SER 34 2HB SER 34 -10.212 1.184 -15.442 285 HB3 SER 34 3HB SER 34 -11.471 -0.040 -15.275 286 HG SER 34 HG SER 34 -9.875 -0.923 -16.527 287 H GLU 35 H GLU 35 -13.950 0.249 -15.731 288 HA GLU 35 HA GLU 35 -14.554 -1.106 -18.218 289 HB2 GLU 35 2HB GLU 35 -15.643 -1.266 -15.420 290 HB3 GLU 35 3HB GLU 35 -16.467 -2.053 -16.759 291 HG2 GLU 35 2HG GLU 35 -13.619 -2.556 -15.924 292 HG3 GLU 35 3HG GLU 35 -15.000 -3.582 -15.540 293 H GLY 36 H GLY 36 -15.288 1.861 -16.965 294 HA2 GLY 36 2HA GLY 36 -16.660 3.453 -18.015 295 HA3 GLY 36 3HA GLY 36 -17.543 2.147 -18.792 296 H ILE 37 H ILE 37 -18.236 0.609 -16.591 297 HA ILE 37 HA ILE 37 -19.733 2.418 -14.836 298 HB ILE 37 HB ILE 37 -21.728 0.861 -15.088 299 HG12 ILE 37 2HG1 ILE 37 -20.452 0.189 -17.737 300 HG13 ILE 37 3HG1 ILE 37 -20.331 -0.872 -16.338 301 HG21 ILE 37 1HG2 ILE 37 -20.787 2.835 -17.109 302 HG22 ILE 37 2HG2 ILE 37 -22.289 1.960 -17.403 303 HG23 ILE 37 3HG2 ILE 37 -22.115 2.949 -15.954 304 HD11 ILE 37 1HD1 ILE 37 -22.334 -1.718 -16.737 305 HD12 ILE 37 2HD1 ILE 37 -23.063 -0.112 -16.796 306 HD13 ILE 37 3HD1 ILE 37 -22.350 -0.811 -18.250 307 HA PRO 38 HA PRO 38 -18.660 -0.390 -11.636 308 HB2 PRO 38 2HB PRO 38 -20.797 -0.147 -9.979 309 HB3 PRO 38 3HB PRO 38 -19.578 1.119 -10.166 310 HG2 PRO 38 2HG PRO 38 -22.285 0.896 -11.424 311 HG3 PRO 38 3HG PRO 38 -21.493 2.317 -10.717 312 HD2 PRO 38 2HD PRO 38 -21.588 1.881 -13.388 313 HD3 PRO 38 3HD PRO 38 -20.226 2.706 -12.603 314 H GLY 39 H GLY 39 -18.831 -2.526 -11.196 315 HA2 GLY 39 2HA GLY 39 -20.328 -4.250 -12.748 316 HA3 GLY 39 3HA GLY 39 -19.643 -4.676 -11.186 317 H ASN 40 H ASN 40 -21.101 -3.066 -9.488 318 HA ASN 40 HA ASN 40 -23.845 -2.955 -9.850 319 HB2 ASN 40 2HB ASN 40 -22.907 -5.645 -9.507 320 HB3 ASN 40 3HB ASN 40 -23.879 -5.191 -8.110 321 HD21 ASN 40 1HD2 ASN 40 -26.023 -4.330 -8.533 322 HD22 ASN 40 2HD2 ASN 40 -26.896 -4.896 -9.912 323 H MET 41 H MET 41 -22.053 -4.496 -7.187 324 HA MET 41 HA MET 41 -22.955 -2.322 -5.432 325 HB2 MET 41 2HB MET 41 -22.305 -5.197 -5.012 326 HB3 MET 41 3HB MET 41 -22.000 -4.088 -3.682 327 HG2 MET 41 2HG MET 41 -24.447 -3.307 -4.172 328 HG3 MET 41 3HG MET 41 -24.578 -4.894 -4.927 329 HE1 MET 41 1HE MET 41 -24.191 -3.756 -0.579 330 HE2 MET 41 2HE MET 41 -24.125 -2.748 -2.025 331 HE3 MET 41 3HE MET 41 -25.664 -3.426 -1.492 332 H ILE 42 H ILE 42 -20.094 -4.084 -6.486 333 HA ILE 42 HA ILE 42 -17.861 -3.712 -6.197 334 HB ILE 42 HB ILE 42 -18.623 -0.797 -6.082 335 HG12 ILE 42 2HG1 ILE 42 -19.809 -1.816 -7.949 336 HG13 ILE 42 3HG1 ILE 42 -18.484 -0.828 -8.553 337 HG21 ILE 42 1HG2 ILE 42 -16.444 -0.405 -6.236 338 HG22 ILE 42 2HG2 ILE 42 -16.156 -2.135 -6.053 339 HG23 ILE 42 3HG2 ILE 42 -16.320 -1.435 -7.663 340 HD11 ILE 42 1HD1 ILE 42 -17.654 -2.557 -9.646 341 HD12 ILE 42 2HD1 ILE 42 -17.571 -3.505 -8.161 342 HD13 ILE 42 3HD1 ILE 42 -19.043 -3.512 -9.131 343 H ARG 43 H ARG 43 -18.718 -4.540 -3.876 344 HA ARG 43 HA ARG 43 -17.591 -2.664 -1.902 345 HB2 ARG 43 2HB ARG 43 -20.129 -3.338 -1.819 346 HB3 ARG 43 3HB ARG 43 -19.507 -4.820 -1.106 347 HG2 ARG 43 2HG ARG 43 -18.288 -2.574 0.173 348 HG3 ARG 43 3HG ARG 43 -20.042 -2.373 0.166 349 HD2 ARG 43 2HD ARG 43 -19.084 -5.068 0.855 350 HD3 ARG 43 3HD ARG 43 -18.671 -3.803 2.013 351 HE ARG 43 HE ARG 43 -21.267 -4.908 1.515 352 HH11 ARG 43 1HH1 ARG 43 -19.542 -2.086 2.603 353 HH12 ARG 43 2HH1 ARG 43 -20.861 -1.487 3.554 354 HH21 ARG 43 1HH2 ARG 43 -23.010 -4.129 2.764 355 HH22 ARG 43 2HH2 ARG 43 -22.832 -2.650 3.646 356 H LEU 44 H LEU 44 -15.689 -3.322 -1.172 357 HA LEU 44 HA LEU 44 -15.087 -6.199 -1.166 358 HB2 LEU 44 2HB LEU 44 -12.729 -5.518 -1.075 359 HB3 LEU 44 3HB LEU 44 -13.563 -4.896 -2.498 360 HG LEU 44 HG LEU 44 -13.734 -2.892 -0.520 361 HD11 LEU 44 1HD1 LEU 44 -11.738 -2.694 0.494 362 HD12 LEU 44 2HD1 LEU 44 -10.850 -3.323 -0.894 363 HD13 LEU 44 3HD1 LEU 44 -11.643 -4.434 0.223 364 HD21 LEU 44 1HD2 LEU 44 -11.693 -2.684 -2.646 365 HD22 LEU 44 2HD2 LEU 44 -13.000 -1.582 -2.211 366 HD23 LEU 44 3HD2 LEU 44 -13.343 -3.024 -3.169 367 H VAL 45 H VAL 45 -13.892 -7.083 0.630 368 HA VAL 45 HA VAL 45 -14.428 -5.657 3.154 369 HB VAL 45 HB VAL 45 -14.245 -8.650 2.805 370 HG11 VAL 45 1HG1 VAL 45 -15.559 -7.258 5.093 371 HG12 VAL 45 2HG1 VAL 45 -14.800 -8.850 5.029 372 HG13 VAL 45 3HG1 VAL 45 -13.802 -7.395 5.059 373 HG21 VAL 45 1HG2 VAL 45 -16.683 -8.678 3.021 374 HG22 VAL 45 2HG2 VAL 45 -16.706 -6.915 3.018 375 HG23 VAL 45 3HG2 VAL 45 -16.175 -7.792 1.583 376 H TYR 46 H TYR 46 -12.659 -4.978 4.148 377 HA TYR 46 HA TYR 46 -10.104 -6.300 3.588 378 HB2 TYR 46 2HB TYR 46 -10.744 -3.646 3.603 379 HB3 TYR 46 3HB TYR 46 -10.088 -3.850 5.223 380 HD1 TYR 46 HD1 TYR 46 -9.092 -2.452 2.466 381 HD2 TYR 46 HD2 TYR 46 -7.993 -5.882 4.730 382 HE1 TYR 46 HE1 TYR 46 -6.812 -2.317 1.552 383 HE2 TYR 46 HE2 TYR 46 -5.710 -5.756 3.824 384 HH TYR 46 HH TYR 46 -4.737 -3.126 1.654 385 H GLN 47 H GLN 47 -9.443 -7.776 4.988 386 HA GLN 47 HA GLN 47 -9.108 -8.949 6.909 387 HB2 GLN 47 2HB GLN 47 -8.277 -6.377 7.376 388 HB3 GLN 47 3HB GLN 47 -9.385 -6.652 8.714 389 HG2 GLN 47 2HG GLN 47 -8.073 -8.257 9.660 390 HG3 GLN 47 3HG GLN 47 -7.365 -8.743 8.120 391 HE21 GLN 47 1HE2 GLN 47 -6.113 -6.815 7.072 392 HE22 GLN 47 2HE2 GLN 47 -4.991 -6.033 8.128 393 H GLY 48 H GLY 48 -11.817 -8.674 6.000 394 HA2 GLY 48 2HA GLY 48 -13.841 -9.483 6.782 395 HA3 GLY 48 3HA GLY 48 -13.154 -9.538 8.399 396 H LYS 49 H LYS 49 -12.631 -6.523 7.065 397 HA LYS 49 HA LYS 49 -14.998 -5.443 8.447 398 HB2 LYS 49 2HB LYS 49 -12.223 -4.844 8.717 399 HB3 LYS 49 3HB LYS 49 -13.024 -3.426 8.053 400 HG2 LYS 49 2HG LYS 49 -12.955 -3.312 10.467 401 HG3 LYS 49 3HG LYS 49 -14.622 -3.464 9.907 402 HD2 LYS 49 2HD LYS 49 -14.325 -4.911 11.797 403 HD3 LYS 49 3HD LYS 49 -14.477 -5.913 10.352 404 HE2 LYS 49 2HE LYS 49 -12.138 -6.328 10.295 405 HE3 LYS 49 3HE LYS 49 -11.824 -5.097 11.516 406 HZ1 LYS 49 1HZ LYS 49 -12.227 -7.785 11.943 407 HZ2 LYS 49 2HZ LYS 49 -13.648 -7.044 12.485 408 HZ3 LYS 49 3HZ LYS 49 -12.153 -6.572 13.120 409 H GLN 50 H GLN 50 -15.797 -3.350 7.597 410 HA GLN 50 HA GLN 50 -15.513 -3.224 4.666 411 HB2 GLN 50 2HB GLN 50 -17.952 -2.734 6.378 412 HB3 GLN 50 3HB GLN 50 -17.865 -2.343 4.666 413 HG2 GLN 50 2HG GLN 50 -18.296 -4.435 4.079 414 HG3 GLN 50 3HG GLN 50 -17.057 -5.068 5.161 415 HE21 GLN 50 1HE2 GLN 50 -20.186 -5.312 4.462 416 HE22 GLN 50 2HE2 GLN 50 -20.833 -5.715 6.012 417 H LEU 51 H LEU 51 -16.324 -1.009 3.824 418 HA LEU 51 HA LEU 51 -15.877 1.210 3.611 419 HB2 LEU 51 2HB LEU 51 -16.016 1.489 6.584 420 HB3 LEU 51 3HB LEU 51 -16.574 2.598 5.334 421 HG LEU 51 HG LEU 51 -18.157 0.356 4.975 422 HD11 LEU 51 1HD1 LEU 51 -19.076 0.324 7.457 423 HD12 LEU 51 2HD1 LEU 51 -17.383 0.653 7.825 424 HD13 LEU 51 3HD1 LEU 51 -17.822 -0.791 6.912 425 HD21 LEU 51 1HD2 LEU 51 -18.755 2.838 6.582 426 HD22 LEU 51 2HD2 LEU 51 -19.939 1.773 5.824 427 HD23 LEU 51 3HD2 LEU 51 -18.829 2.712 4.825 428 H GLU 52 H GLU 52 -13.759 1.130 2.923 429 HA GLU 52 HA GLU 52 -11.712 1.510 5.010 430 HB2 GLU 52 2HB GLU 52 -11.410 0.300 2.255 431 HB3 GLU 52 3HB GLU 52 -10.085 0.604 3.370 432 HG2 GLU 52 2HG GLU 52 -12.295 -1.400 3.582 433 HG3 GLU 52 3HG GLU 52 -10.552 -1.658 3.631 434 H ASP 53 H ASP 53 -13.463 3.106 2.745 435 HA ASP 53 HA ASP 53 -11.669 4.643 1.288 436 HB2 ASP 53 2HB ASP 53 -14.254 4.554 1.184 437 HB3 ASP 53 3HB ASP 53 -14.200 5.812 2.415 438 H GLU 54 H GLU 54 -12.776 5.006 4.607 439 HA GLU 54 HA GLU 54 -11.601 7.571 5.018 440 HB2 GLU 54 2HB GLU 54 -13.319 5.895 6.442 441 HB3 GLU 54 3HB GLU 54 -11.873 5.992 7.437 442 HG2 GLU 54 2HG GLU 54 -12.219 8.145 7.969 443 HG3 GLU 54 3HG GLU 54 -12.832 8.553 6.368 444 H LYS 55 H LYS 55 -10.380 4.374 4.952 445 HA LYS 55 HA LYS 55 -7.959 5.130 6.421 446 HB2 LYS 55 2HB LYS 55 -9.106 2.490 5.547 447 HB3 LYS 55 3HB LYS 55 -7.429 2.632 6.059 448 HG2 LYS 55 2HG LYS 55 -8.497 1.980 7.995 449 HG3 LYS 55 3HG LYS 55 -8.415 3.734 8.178 450 HD2 LYS 55 2HD LYS 55 -10.680 4.011 7.725 451 HD3 LYS 55 3HD LYS 55 -10.810 2.444 6.922 452 HE2 LYS 55 2HE LYS 55 -9.958 2.134 9.660 453 HE3 LYS 55 3HE LYS 55 -11.459 3.055 9.571 454 HZ1 LYS 55 1HZ LYS 55 -11.282 0.363 9.504 455 HZ2 LYS 55 2HZ LYS 55 -11.413 0.741 7.860 456 HZ3 LYS 55 3HZ LYS 55 -12.603 1.261 8.944 457 H ARG 56 H ARG 56 -8.425 6.302 3.874 458 HA ARG 56 HA ARG 56 -7.283 5.101 1.683 459 HB2 ARG 56 2HB ARG 56 -6.448 7.549 1.197 460 HB3 ARG 56 3HB ARG 56 -8.165 7.167 1.188 461 HG2 ARG 56 2HG ARG 56 -7.305 7.894 3.835 462 HG3 ARG 56 3HG ARG 56 -6.876 9.145 2.666 463 HD2 ARG 56 2HD ARG 56 -9.417 8.511 1.903 464 HD3 ARG 56 3HD ARG 56 -9.504 8.297 3.651 465 HE ARG 56 HE ARG 56 -8.259 10.713 3.283 466 HH11 ARG 56 1HH1 ARG 56 -11.299 9.300 2.343 467 HH12 ARG 56 2HH1 ARG 56 -12.148 10.810 2.338 468 HH21 ARG 56 1HH2 ARG 56 -9.366 12.707 3.280 469 HH22 ARG 56 2HH2 ARG 56 -11.047 12.748 2.870 470 H LEU 57 H LEU 57 -5.484 7.394 3.740 471 HA LEU 57 HA LEU 57 -2.959 6.496 2.794 472 HB2 LEU 57 2HB LEU 57 -3.693 8.762 3.877 473 HB3 LEU 57 3HB LEU 57 -3.277 7.948 5.384 474 HG LEU 57 HG LEU 57 -1.283 8.040 3.160 475 HD11 LEU 57 1HD1 LEU 57 -0.764 10.207 3.404 476 HD12 LEU 57 2HD1 LEU 57 -1.092 10.197 5.137 477 HD13 LEU 57 3HD1 LEU 57 -2.420 10.362 3.989 478 HD21 LEU 57 1HD2 LEU 57 -0.578 6.696 4.929 479 HD22 LEU 57 2HD2 LEU 57 -1.242 7.784 6.148 480 HD23 LEU 57 3HD2 LEU 57 0.202 8.246 5.245 481 H LYS 58 H LYS 58 -4.927 5.758 5.607 482 HA LYS 58 HA LYS 58 -3.026 4.408 7.150 483 HB2 LYS 58 2HB LYS 58 -5.854 4.809 7.184 484 HB3 LYS 58 3HB LYS 58 -5.535 3.100 7.450 485 HG2 LYS 58 2HG LYS 58 -3.743 4.694 9.026 486 HG3 LYS 58 3HG LYS 58 -5.416 5.175 9.320 487 HD2 LYS 58 2HD LYS 58 -5.848 2.620 9.497 488 HD3 LYS 58 3HD LYS 58 -4.104 2.517 9.746 489 HE2 LYS 58 2HE LYS 58 -4.501 4.354 11.528 490 HE3 LYS 58 3HE LYS 58 -6.185 3.842 11.443 491 HZ1 LYS 58 1HZ LYS 58 -4.618 1.549 11.653 492 HZ2 LYS 58 2HZ LYS 58 -5.689 2.182 12.798 493 HZ3 LYS 58 3HZ LYS 58 -4.059 2.634 12.825 494 H ASP 59 H ASP 59 -4.715 3.458 4.280 495 HA ASP 59 HA ASP 59 -4.150 0.642 4.591 496 HB2 ASP 59 2HB ASP 59 -5.578 2.340 2.625 497 HB3 ASP 59 3HB ASP 59 -4.867 0.854 2.001 498 H TYR 60 H TYR 60 -2.544 3.399 3.360 499 HA TYR 60 HA TYR 60 -0.849 1.979 1.514 500 HB2 TYR 60 2HB TYR 60 -1.449 4.366 1.194 501 HB3 TYR 60 3HB TYR 60 -0.539 4.768 2.646 502 HD1 TYR 60 HD1 TYR 60 0.119 2.687 -0.397 503 HD2 TYR 60 HD2 TYR 60 1.462 5.798 2.176 504 HE1 TYR 60 HE1 TYR 60 2.162 2.914 -1.748 505 HE2 TYR 60 HE2 TYR 60 3.508 6.035 0.831 506 HH TYR 60 HH TYR 60 3.985 5.323 -1.935 507 H GLN 61 H GLN 61 -0.872 2.604 4.876 508 HA GLN 61 HA GLN 61 1.975 2.355 5.254 509 HB2 GLN 61 2HB GLN 61 0.622 3.713 6.787 510 HB3 GLN 61 3HB GLN 61 -0.286 2.283 7.259 511 HG2 GLN 61 2HG GLN 61 2.502 1.783 7.609 512 HG3 GLN 61 3HG GLN 61 2.075 3.302 8.394 513 HE21 GLN 61 1HE2 GLN 61 0.097 0.419 7.931 514 HE22 GLN 61 2HE2 GLN 61 -0.127 0.083 9.611 515 H MET 62 H MET 62 -0.590 0.216 4.756 516 HA MET 62 HA MET 62 0.470 -1.972 6.308 517 HB2 MET 62 2HB MET 62 -1.563 -2.247 4.112 518 HB3 MET 62 3HB MET 62 -1.379 -3.217 5.567 519 HG2 MET 62 2HG MET 62 -2.278 -0.346 5.507 520 HG3 MET 62 3HG MET 62 -3.344 -1.743 5.628 521 HE1 MET 62 1HE MET 62 -3.506 -2.789 9.002 522 HE2 MET 62 2HE MET 62 -4.399 -1.363 8.474 523 HE3 MET 62 3HE MET 62 -4.109 -2.690 7.348 524 H SER 63 H SER 63 0.000 -1.418 2.812 525 HA SER 63 HA SER 63 1.049 -2.286 0.986 526 HB2 SER 63 2HB SER 63 3.520 -2.435 2.713 527 HB3 SER 63 3HB SER 63 3.423 -2.157 0.974 528 HG SER 63 HG SER 63 3.626 -0.323 2.739 529 H ALA 64 H ALA 64 -0.241 -4.163 2.742 530 HA ALA 64 HA ALA 64 0.613 -6.576 1.614 531 HB1 ALA 64 1HB ALA 64 1.655 -6.029 4.376 532 HB2 ALA 64 2HB ALA 64 1.408 -7.670 3.776 533 HB3 ALA 64 3HB ALA 64 2.536 -6.592 2.955 534 H GLY 65 H GLY 65 -1.832 -5.356 1.899 535 HA2 GLY 65 2HA GLY 65 -3.203 -7.112 3.842 536 HA3 GLY 65 3HA GLY 65 -3.764 -5.494 3.447 537 H ALA 66 H ALA 66 -4.239 -8.713 2.867 538 HA ALA 66 HA ALA 66 -4.834 -8.799 0.119 539 HB1 ALA 66 1HB ALA 66 -4.534 -10.782 1.589 540 HB2 ALA 66 2HB ALA 66 -6.119 -10.448 2.290 541 HB3 ALA 66 3HB ALA 66 -5.979 -10.855 0.579 542 H THR 67 H THR 67 -6.600 -8.266 -1.044 543 HA THR 67 HA THR 67 -8.921 -7.188 0.420 544 HB THR 67 HB THR 67 -8.816 -6.010 -2.163 545 HG1 THR 67 HG1 THR 67 -6.484 -5.294 -0.764 546 HG21 THR 67 1HG2 THR 67 -9.768 -5.169 0.055 547 HG22 THR 67 2HG2 THR 67 -8.960 -3.984 -0.972 548 HG23 THR 67 3HG2 THR 67 -8.124 -4.653 0.430 549 H PHE 68 H PHE 68 -10.933 -7.737 -0.301 550 HA PHE 68 HA PHE 68 -11.095 -9.437 -2.696 551 HB2 PHE 68 2HB PHE 68 -11.184 -10.959 -0.849 552 HB3 PHE 68 3HB PHE 68 -12.334 -9.941 0.011 553 HD1 PHE 68 HD1 PHE 68 -11.886 -12.415 -2.623 554 HD2 PHE 68 HD2 PHE 68 -14.674 -9.872 -0.653 555 HE1 PHE 68 HE1 PHE 68 -13.744 -13.684 -3.621 556 HE2 PHE 68 HE2 PHE 68 -16.535 -11.137 -1.647 557 HZ PHE 68 HZ PHE 68 -16.072 -13.046 -3.132 558 H HIS 69 H HIS 69 -12.325 -8.429 -4.132 559 HA HIS 69 HA HIS 69 -14.363 -6.545 -3.264 560 HB2 HIS 69 2HB HIS 69 -13.338 -7.270 -6.015 561 HB3 HIS 69 3HB HIS 69 -14.567 -6.048 -5.703 562 HD1 HIS 69 HD1 HIS 69 -13.468 -3.866 -6.092 563 HD2 HIS 69 HD2 HIS 69 -11.030 -6.467 -3.958 564 HE1 HIS 69 HE1 HIS 69 -11.421 -2.533 -5.498 565 H MET 70 H MET 70 -16.549 -6.725 -3.691 566 HA MET 70 HA MET 70 -17.468 -9.312 -4.751 567 HB2 MET 70 2HB MET 70 -17.676 -9.367 -2.326 568 HB3 MET 70 3HB MET 70 -18.553 -7.843 -2.342 569 HG2 MET 70 2HG MET 70 -20.472 -8.897 -2.630 570 HG3 MET 70 3HG MET 70 -19.857 -9.707 -4.069 571 HE1 MET 70 1HE MET 70 -20.466 -9.511 -0.532 572 HE2 MET 70 2HE MET 70 -21.373 -11.022 -0.477 573 HE3 MET 70 3HE MET 70 -19.764 -10.934 0.240 574 H VAL 71 H VAL 71 -19.016 -9.197 -6.261 575 HA VAL 71 HA VAL 71 -20.440 -6.639 -6.597 576 HB VAL 71 HB VAL 71 -20.455 -7.265 -9.095 577 HG11 VAL 71 1HG1 VAL 71 -19.281 -5.335 -8.345 578 HG12 VAL 71 2HG1 VAL 71 -17.979 -6.315 -7.667 579 HG13 VAL 71 3HG1 VAL 71 -18.196 -6.221 -9.415 580 HG21 VAL 71 1HG2 VAL 71 -18.115 -8.923 -8.158 581 HG22 VAL 71 2HG2 VAL 71 -19.610 -9.533 -8.867 582 HG23 VAL 71 3HG2 VAL 71 -18.504 -8.563 -9.840 583 H VAL 72 H VAL 72 -22.505 -6.982 -6.115 584 HA VAL 72 HA VAL 72 -23.715 -9.591 -6.591 585 HB VAL 72 HB VAL 72 -25.214 -7.268 -5.444 586 HG11 VAL 72 1HG1 VAL 72 -26.269 -9.061 -4.120 587 HG12 VAL 72 2HG1 VAL 72 -26.430 -9.320 -5.858 588 HG13 VAL 72 3HG1 VAL 72 -25.243 -10.241 -4.934 589 HG21 VAL 72 1HG2 VAL 72 -23.175 -8.938 -3.978 590 HG22 VAL 72 2HG2 VAL 72 -23.123 -7.196 -4.246 591 HG23 VAL 72 3HG2 VAL 72 -24.361 -7.891 -3.199 592 H ALA 73 H ALA 73 -24.332 -9.879 -8.649 593 HA ALA 73 HA ALA 73 -25.985 -7.774 -9.885 594 HB1 ALA 73 1HB ALA 73 -24.973 -8.029 -11.917 595 HB2 ALA 73 2HB ALA 73 -23.609 -8.380 -10.855 596 HB3 ALA 73 3HB ALA 73 -24.508 -9.701 -11.601 597 H LEU 74 H LEU 74 -28.002 -8.531 -9.489 598 HA LEU 74 HA LEU 74 -28.596 -11.315 -10.230 599 HB2 LEU 74 2HB LEU 74 -30.656 -11.018 -8.890 600 HB3 LEU 74 3HB LEU 74 -29.170 -10.854 -7.957 601 HG LEU 74 HG LEU 74 -30.041 -8.273 -8.866 602 HD11 LEU 74 1HD1 LEU 74 -32.128 -10.089 -7.821 603 HD12 LEU 74 2HD1 LEU 74 -32.266 -8.689 -8.884 604 HD13 LEU 74 3HD1 LEU 74 -32.072 -8.460 -7.146 605 HD21 LEU 74 1HD2 LEU 74 -29.343 -9.656 -6.339 606 HD22 LEU 74 2HD2 LEU 74 -30.273 -8.162 -6.219 607 HD23 LEU 74 3HD2 LEU 74 -28.706 -8.164 -7.031 608 H ARG 75 H ARG 75 -29.333 -7.984 -10.892 609 HA ARG 75 HA ARG 75 -31.640 -8.567 -12.519 610 HB2 ARG 75 2HB ARG 75 -30.165 -6.137 -11.674 611 HB3 ARG 75 3HB ARG 75 -31.029 -6.039 -13.203 612 HG2 ARG 75 2HG ARG 75 -33.083 -6.213 -12.216 613 HG3 ARG 75 3HG ARG 75 -32.463 -7.115 -10.832 614 HD2 ARG 75 2HD ARG 75 -32.271 -5.245 -9.649 615 HD3 ARG 75 3HD ARG 75 -31.260 -4.520 -10.898 616 HE ARG 75 HE ARG 75 -33.075 -3.327 -11.625 617 HH11 ARG 75 1HH1 ARG 75 -34.156 -5.899 -9.543 618 HH12 ARG 75 2HH1 ARG 75 -35.794 -5.339 -9.485 619 HH21 ARG 75 1HH2 ARG 75 -35.229 -2.580 -11.556 620 HH22 ARG 75 2HH2 ARG 75 -36.404 -3.452 -10.631 621 H ALA 76 H ALA 76 -28.360 -7.326 -13.162 622 HA ALA 76 HA ALA 76 -28.174 -8.842 -15.592 623 HB1 ALA 76 1HB ALA 76 -28.153 -7.118 -17.179 624 HB2 ALA 76 2HB ALA 76 -29.559 -6.777 -16.169 625 HB3 ALA 76 3HB ALA 76 -28.068 -5.862 -15.944 626 H GLY 77 H GLY 77 -26.063 -8.767 -16.539 627 HA2 GLY 77 2HA GLY 77 -23.977 -7.127 -15.555 628 HA3 GLY 77 3HA GLY 77 -23.965 -8.667 -14.708 629 H CYS 78 H CYS 78 -23.943 -7.253 -17.963 630 HA CYS 78 HA CYS 78 -22.612 -9.671 -18.958 631 HB2 CYS 78 2HB CYS 78 -24.324 -7.585 -20.179 632 HB3 CYS 78 3HB CYS 78 -23.018 -8.199 -21.186 633 HG CYS 78 HG CYS 78 -24.013 -10.942 -20.397 Start of MODEL 9 1 H MET 1 H MET 1 1.735 0.104 0.774 2 HA MET 1 HA MET 1 1.871 0.981 -1.813 3 HB2 MET 1 2HB MET 1 3.741 0.370 -0.074 4 HB3 MET 1 3HB MET 1 3.762 -1.165 -0.932 5 HG2 MET 1 2HG MET 1 5.205 -0.218 -2.321 6 HG3 MET 1 3HG MET 1 3.837 0.690 -2.960 7 HE1 MET 1 1HE MET 1 5.631 2.379 -3.855 8 HE2 MET 1 2HE MET 1 4.167 3.211 -3.329 9 HE3 MET 1 3HE MET 1 5.752 3.879 -2.933 10 H LEU 2 H LEU 2 2.233 -2.464 -0.951 11 HA LEU 2 HA LEU 2 1.156 -3.146 -3.600 12 HB2 LEU 2 2HB LEU 2 3.385 -3.984 -3.212 13 HB3 LEU 2 3HB LEU 2 2.877 -4.728 -1.697 14 HG LEU 2 HG LEU 2 1.474 -5.623 -4.144 15 HD11 LEU 2 1HD1 LEU 2 3.300 -6.146 -5.290 16 HD12 LEU 2 2HD1 LEU 2 3.730 -7.261 -3.993 17 HD13 LEU 2 3HD1 LEU 2 4.347 -5.609 -3.976 18 HD21 LEU 2 1HD2 LEU 2 2.067 -7.839 -2.887 19 HD22 LEU 2 2HD2 LEU 2 0.789 -6.784 -2.282 20 HD23 LEU 2 3HD2 LEU 2 2.388 -6.749 -1.537 21 H LEU 3 H LEU 3 -0.775 -4.078 -3.748 22 HA LEU 3 HA LEU 3 -1.827 -5.589 -1.472 23 HB2 LEU 3 2HB LEU 3 -3.823 -4.425 -1.332 24 HB3 LEU 3 3HB LEU 3 -2.624 -3.149 -1.532 25 HG LEU 3 HG LEU 3 -4.353 -4.234 -3.753 26 HD11 LEU 3 1HD1 LEU 3 -4.779 -2.089 -1.758 27 HD12 LEU 3 2HD1 LEU 3 -5.945 -3.125 -2.580 28 HD13 LEU 3 3HD1 LEU 3 -5.240 -1.748 -3.426 29 HD21 LEU 3 1HD2 LEU 3 -2.430 -1.923 -3.569 30 HD22 LEU 3 2HD2 LEU 3 -3.603 -2.120 -4.872 31 HD23 LEU 3 3HD2 LEU 3 -2.336 -3.325 -4.635 32 H LYS 4 H LYS 4 -3.345 -7.179 -2.007 33 HA LYS 4 HA LYS 4 -3.505 -7.782 -4.887 34 HB2 LYS 4 2HB LYS 4 -2.232 -9.477 -3.784 35 HB3 LYS 4 3HB LYS 4 -3.411 -9.607 -2.486 36 HG2 LYS 4 2HG LYS 4 -5.048 -10.499 -4.091 37 HG3 LYS 4 3HG LYS 4 -3.820 -10.422 -5.356 38 HD2 LYS 4 2HD LYS 4 -3.122 -11.863 -2.858 39 HD3 LYS 4 3HD LYS 4 -4.283 -12.633 -3.943 40 HE2 LYS 4 2HE LYS 4 -2.565 -12.126 -5.791 41 HE3 LYS 4 3HE LYS 4 -1.429 -11.869 -4.467 42 HZ1 LYS 4 1HZ LYS 4 -2.099 -14.143 -3.674 43 HZ2 LYS 4 2HZ LYS 4 -1.205 -14.105 -5.109 44 HZ3 LYS 4 3HZ LYS 4 -2.876 -14.358 -5.161 45 H VAL 5 H VAL 5 -5.443 -7.327 -5.687 46 HA VAL 5 HA VAL 5 -7.807 -7.619 -3.967 47 HB VAL 5 HB VAL 5 -8.987 -6.249 -5.640 48 HG11 VAL 5 1HG1 VAL 5 -6.522 -5.245 -4.292 49 HG12 VAL 5 2HG1 VAL 5 -7.454 -4.155 -5.320 50 HG13 VAL 5 3HG1 VAL 5 -8.217 -4.921 -3.926 51 HG21 VAL 5 1HG2 VAL 5 -6.913 -5.096 -7.109 52 HG22 VAL 5 2HG2 VAL 5 -6.632 -6.835 -7.198 53 HG23 VAL 5 3HG2 VAL 5 -8.180 -6.164 -7.712 54 H LYS 6 H LYS 6 -9.242 -9.186 -4.316 55 HA LYS 6 HA LYS 6 -9.211 -10.573 -6.913 56 HB2 LYS 6 2HB LYS 6 -9.781 -12.668 -5.579 57 HB3 LYS 6 3HB LYS 6 -8.123 -12.091 -5.470 58 HG2 LYS 6 2HG LYS 6 -9.621 -10.860 -3.398 59 HG3 LYS 6 3HG LYS 6 -9.962 -12.591 -3.378 60 HD2 LYS 6 2HD LYS 6 -7.157 -11.532 -3.554 61 HD3 LYS 6 3HD LYS 6 -7.969 -11.759 -2.004 62 HE2 LYS 6 2HE LYS 6 -7.692 -13.937 -4.065 63 HE3 LYS 6 3HE LYS 6 -6.521 -13.673 -2.774 64 HZ1 LYS 6 1HZ LYS 6 -8.623 -15.288 -2.552 65 HZ2 LYS 6 2HZ LYS 6 -9.293 -13.862 -1.938 66 HZ3 LYS 6 3HZ LYS 6 -7.901 -14.515 -1.232 67 H THR 7 H THR 7 -11.112 -10.477 -7.890 68 HA THR 7 HA THR 7 -13.479 -9.705 -6.393 69 HB THR 7 HB THR 7 -14.554 -9.361 -8.511 70 HG1 THR 7 HG1 THR 7 -13.203 -9.885 -10.456 71 HG21 THR 7 1HG2 THR 7 -13.443 -7.448 -8.770 72 HG22 THR 7 2HG2 THR 7 -12.103 -8.299 -9.538 73 HG23 THR 7 3HG2 THR 7 -12.134 -8.100 -7.786 74 H VAL 8 H VAL 8 -15.589 -10.808 -7.097 75 HA VAL 8 HA VAL 8 -15.445 -13.540 -6.332 76 HB VAL 8 HB VAL 8 -17.384 -12.055 -5.839 77 HG11 VAL 8 1HG1 VAL 8 -17.348 -11.155 -8.269 78 HG12 VAL 8 2HG1 VAL 8 -18.360 -12.556 -8.623 79 HG13 VAL 8 3HG1 VAL 8 -18.896 -11.354 -7.448 80 HG21 VAL 8 1HG2 VAL 8 -17.352 -14.773 -6.482 81 HG22 VAL 8 2HG2 VAL 8 -18.549 -13.922 -5.507 82 HG23 VAL 8 3HG2 VAL 8 -18.811 -14.131 -7.238 83 H SER 9 H SER 9 -14.954 -12.029 -9.285 84 HA SER 9 HA SER 9 -15.972 -14.197 -10.923 85 HB2 SER 9 2HB SER 9 -14.920 -11.478 -11.395 86 HB3 SER 9 3HB SER 9 -14.532 -12.660 -12.644 87 HG SER 9 HG SER 9 -16.834 -13.154 -12.648 88 H ASN 10 H ASN 10 -13.559 -14.231 -8.935 89 HA ASN 10 HA ASN 10 -11.653 -15.461 -8.748 90 HB2 ASN 10 2HB ASN 10 -13.141 -16.799 -10.680 91 HB3 ASN 10 3HB ASN 10 -11.558 -16.600 -11.426 92 HD21 ASN 10 1HD2 ASN 10 -12.926 -17.445 -8.260 93 HD22 ASN 10 2HD2 ASN 10 -11.851 -18.765 -7.961 94 H LYS 11 H LYS 11 -11.677 -12.764 -9.862 95 HA LYS 11 HA LYS 11 -9.296 -12.855 -11.587 96 HB2 LYS 11 2HB LYS 11 -11.339 -10.671 -11.155 97 HB3 LYS 11 3HB LYS 11 -9.873 -10.469 -12.106 98 HG2 LYS 11 2HG LYS 11 -10.633 -12.278 -13.602 99 HG3 LYS 11 3HG LYS 11 -12.134 -12.374 -12.678 100 HD2 LYS 11 2HD LYS 11 -12.658 -10.069 -13.255 101 HD3 LYS 11 3HD LYS 11 -11.131 -9.924 -14.129 102 HE2 LYS 11 2HE LYS 11 -12.450 -12.208 -15.135 103 HE3 LYS 11 3HE LYS 11 -13.650 -10.919 -15.047 104 HZ1 LYS 11 1HZ LYS 11 -11.714 -9.557 -16.138 105 HZ2 LYS 11 2HZ LYS 11 -12.750 -10.504 -17.080 106 HZ3 LYS 11 3HZ LYS 11 -11.216 -11.085 -16.666 107 H VAL 12 H VAL 12 -7.545 -12.844 -10.303 108 HA VAL 12 HA VAL 12 -7.467 -10.951 -8.054 109 HB VAL 12 HB VAL 12 -5.583 -13.251 -8.577 110 HG11 VAL 12 1HG1 VAL 12 -4.437 -12.582 -6.786 111 HG12 VAL 12 2HG1 VAL 12 -5.320 -11.059 -6.913 112 HG13 VAL 12 3HG1 VAL 12 -5.906 -12.334 -5.843 113 HG21 VAL 12 1HG2 VAL 12 -7.267 -14.581 -7.966 114 HG22 VAL 12 2HG2 VAL 12 -7.096 -13.885 -6.354 115 HG23 VAL 12 3HG2 VAL 12 -8.275 -13.216 -7.483 116 H ILE 13 H ILE 13 -6.230 -9.198 -8.184 117 HA ILE 13 HA ILE 13 -4.048 -9.157 -10.163 118 HB ILE 13 HB ILE 13 -5.928 -6.883 -9.516 119 HG12 ILE 13 2HG1 ILE 13 -6.966 -8.534 -10.970 120 HG13 ILE 13 3HG1 ILE 13 -6.577 -7.090 -11.899 121 HG21 ILE 13 1HG2 ILE 13 -3.403 -7.034 -11.117 122 HG22 ILE 13 2HG2 ILE 13 -4.648 -5.847 -11.503 123 HG23 ILE 13 3HG2 ILE 13 -3.889 -5.842 -9.911 124 HD11 ILE 13 1HD1 ILE 13 -4.349 -8.782 -12.101 125 HD12 ILE 13 2HD1 ILE 13 -5.776 -9.792 -12.337 126 HD13 ILE 13 3HD1 ILE 13 -5.523 -8.373 -13.352 127 H GLN 14 H GLN 14 -2.162 -8.953 -9.171 128 HA GLN 14 HA GLN 14 -2.052 -7.536 -6.600 129 HB2 GLN 14 2HB GLN 14 -1.253 -9.795 -6.430 130 HB3 GLN 14 3HB GLN 14 -0.211 -9.587 -7.832 131 HG2 GLN 14 2HG GLN 14 0.454 -7.603 -5.904 132 HG3 GLN 14 3HG GLN 14 0.402 -9.176 -5.109 133 HE21 GLN 14 1HE2 GLN 14 1.325 -8.286 -8.406 134 HE22 GLN 14 2HE2 GLN 14 2.933 -8.909 -8.312 135 H ILE 15 H ILE 15 -1.359 -5.513 -6.690 136 HA ILE 15 HA ILE 15 0.697 -4.820 -8.686 137 HB ILE 15 HB ILE 15 -0.222 -2.515 -8.670 138 HG12 ILE 15 2HG1 ILE 15 -1.422 -3.047 -6.385 139 HG13 ILE 15 3HG1 ILE 15 -2.129 -1.901 -7.519 140 HG21 ILE 15 1HG2 ILE 15 -1.849 -4.843 -9.595 141 HG22 ILE 15 2HG2 ILE 15 -2.433 -3.200 -9.852 142 HG23 ILE 15 3HG2 ILE 15 -0.887 -3.703 -10.536 143 HD11 ILE 15 1HD1 ILE 15 -2.923 -4.749 -7.742 144 HD12 ILE 15 2HD1 ILE 15 -3.556 -3.803 -6.395 145 HD13 ILE 15 3HD1 ILE 15 -3.852 -3.283 -8.053 146 H THR 16 H THR 16 2.249 -3.241 -8.075 147 HA THR 16 HA THR 16 2.545 -2.937 -5.157 148 HB THR 16 HB THR 16 4.261 -4.427 -5.953 149 HG1 THR 16 HG1 THR 16 5.669 -1.998 -5.773 150 HG21 THR 16 1HG2 THR 16 5.882 -2.873 -7.624 151 HG22 THR 16 2HG2 THR 16 4.243 -2.675 -8.244 152 HG23 THR 16 3HG2 THR 16 4.934 -4.289 -8.075 153 H SER 17 H SER 17 1.117 -0.993 -6.052 154 HA SER 17 HA SER 17 2.706 1.332 -5.741 155 HB2 SER 17 2HB SER 17 3.347 1.141 -8.011 156 HB3 SER 17 3HB SER 17 1.725 0.669 -8.515 157 HG SER 17 HG SER 17 2.729 3.077 -8.527 158 H LEU 18 H LEU 18 1.100 1.483 -4.080 159 HA LEU 18 HA LEU 18 -1.577 2.246 -5.029 160 HB2 LEU 18 2HB LEU 18 -0.712 0.588 -2.919 161 HB3 LEU 18 3HB LEU 18 -1.413 2.026 -2.180 162 HG LEU 18 HG LEU 18 -2.774 0.110 -4.070 163 HD11 LEU 18 1HD1 LEU 18 -3.052 0.707 -1.137 164 HD12 LEU 18 2HD1 LEU 18 -2.695 -0.836 -1.912 165 HD13 LEU 18 3HD1 LEU 18 -4.300 -0.122 -2.067 166 HD21 LEU 18 1HD2 LEU 18 -3.671 2.182 -4.660 167 HD22 LEU 18 2HD2 LEU 18 -3.602 2.790 -3.005 168 HD23 LEU 18 3HD2 LEU 18 -4.794 1.566 -3.447 169 H THR 19 H THR 19 -2.595 4.107 -4.147 170 HA THR 19 HA THR 19 -0.767 6.294 -3.729 171 HB THR 19 HB THR 19 -3.648 6.794 -3.331 172 HG1 THR 19 HG1 THR 19 -2.600 5.704 -5.737 173 HG21 THR 19 1HG2 THR 19 -2.877 8.821 -3.843 174 HG22 THR 19 2HG2 THR 19 -2.572 8.253 -5.485 175 HG23 THR 19 3HG2 THR 19 -1.301 8.154 -4.266 176 H ASP 20 H ASP 20 -1.574 7.988 -2.008 177 HA ASP 20 HA ASP 20 -2.016 6.562 0.532 178 HB2 ASP 20 2HB ASP 20 -0.320 7.704 1.591 179 HB3 ASP 20 3HB ASP 20 0.356 7.580 -0.030 180 H ASP 21 H ASP 21 -3.294 8.699 -1.595 181 HA ASP 21 HA ASP 21 -4.440 10.504 0.390 182 HB2 ASP 21 2HB ASP 21 -4.823 10.439 -2.611 183 HB3 ASP 21 3HB ASP 21 -5.369 11.712 -1.522 184 H ASN 22 H ASN 22 -5.522 8.149 -2.042 185 HA ASN 22 HA ASN 22 -8.079 7.963 -0.587 186 HB2 ASN 22 2HB ASN 22 -7.469 8.089 -3.489 187 HB3 ASN 22 3HB ASN 22 -8.738 6.970 -3.002 188 HD21 ASN 22 1HD2 ASN 22 -7.822 10.118 -1.680 189 HD22 ASN 22 2HD2 ASN 22 -9.352 10.873 -1.953 190 H THR 23 H THR 23 -5.851 6.126 -2.671 191 HA THR 23 HA THR 23 -5.204 3.943 -2.657 192 HB THR 23 HB THR 23 -6.234 4.026 0.184 193 HG1 THR 23 HG1 THR 23 -4.003 4.269 0.655 194 HG21 THR 23 1HG2 THR 23 -4.293 2.072 0.033 195 HG22 THR 23 2HG2 THR 23 -5.223 1.832 -1.446 196 HG23 THR 23 3HG2 THR 23 -6.032 1.796 0.121 197 H ILE 24 H ILE 24 -7.849 3.383 -0.402 198 HA ILE 24 HA ILE 24 -8.926 1.246 -1.859 199 HB ILE 24 HB ILE 24 -10.263 2.984 0.219 200 HG12 ILE 24 2HG1 ILE 24 -9.756 0.629 1.441 201 HG13 ILE 24 3HG1 ILE 24 -8.405 0.676 0.314 202 HG21 ILE 24 1HG2 ILE 24 -11.963 1.852 -1.024 203 HG22 ILE 24 2HG2 ILE 24 -11.074 0.332 -0.955 204 HG23 ILE 24 3HG2 ILE 24 -11.768 1.015 0.515 205 HD11 ILE 24 1HD1 ILE 24 -7.324 2.089 1.622 206 HD12 ILE 24 2HD1 ILE 24 -8.677 3.219 1.587 207 HD13 ILE 24 3HD1 ILE 24 -8.625 1.942 2.802 208 H ALA 25 H ALA 25 -10.400 4.459 -1.350 209 HA ALA 25 HA ALA 25 -12.468 4.210 -3.174 210 HB1 ALA 25 1HB ALA 25 -11.617 6.165 -1.480 211 HB2 ALA 25 2HB ALA 25 -11.309 6.896 -3.055 212 HB3 ALA 25 3HB ALA 25 -12.931 6.338 -2.644 213 H GLU 26 H GLU 26 -9.118 5.160 -3.706 214 HA GLU 26 HA GLU 26 -9.455 5.993 -6.399 215 HB2 GLU 26 2HB GLU 26 -7.516 6.554 -4.861 216 HB3 GLU 26 3HB GLU 26 -6.913 4.931 -5.168 217 HG2 GLU 26 2HG GLU 26 -5.885 5.690 -6.967 218 HG3 GLU 26 3HG GLU 26 -7.453 6.060 -7.681 219 H LEU 27 H LEU 27 -8.529 2.930 -4.895 220 HA LEU 27 HA LEU 27 -7.933 1.564 -7.300 221 HB2 LEU 27 2HB LEU 27 -8.087 0.967 -4.494 222 HB3 LEU 27 3HB LEU 27 -8.858 -0.314 -5.428 223 HG LEU 27 HG LEU 27 -6.452 -0.709 -4.886 224 HD11 LEU 27 1HD1 LEU 27 -6.169 -1.898 -6.786 225 HD12 LEU 27 2HD1 LEU 27 -6.543 -0.530 -7.832 226 HD13 LEU 27 3HD1 LEU 27 -7.847 -1.425 -7.054 227 HD21 LEU 27 1HD2 LEU 27 -5.933 1.799 -5.328 228 HD22 LEU 27 2HD2 LEU 27 -5.770 1.284 -7.007 229 HD23 LEU 27 3HD2 LEU 27 -4.742 0.573 -5.763 230 H LYS 28 H LYS 28 -10.843 1.585 -5.250 231 HA LYS 28 HA LYS 28 -12.369 -0.110 -6.919 232 HB2 LYS 28 2HB LYS 28 -14.284 0.617 -5.608 233 HB3 LYS 28 3HB LYS 28 -12.912 0.311 -4.551 234 HG2 LYS 28 2HG LYS 28 -12.459 2.760 -4.545 235 HG3 LYS 28 3HG LYS 28 -13.961 2.986 -5.444 236 HD2 LYS 28 2HD LYS 28 -13.703 1.716 -2.717 237 HD3 LYS 28 3HD LYS 28 -14.292 3.348 -3.047 238 HE2 LYS 28 2HE LYS 28 -15.558 0.748 -3.899 239 HE3 LYS 28 3HE LYS 28 -16.172 1.886 -2.701 240 HZ1 LYS 28 1HZ LYS 28 -16.114 3.530 -4.678 241 HZ2 LYS 28 2HZ LYS 28 -17.388 2.424 -4.558 242 HZ3 LYS 28 3HZ LYS 28 -16.114 2.132 -5.632 243 H GLY 29 H GLY 29 -11.999 3.399 -6.757 244 HA2 GLY 29 2HA GLY 29 -14.058 4.020 -8.606 245 HA3 GLY 29 3HA GLY 29 -12.730 5.076 -8.148 246 H LYS 30 H LYS 30 -10.663 3.213 -8.990 247 HA LYS 30 HA LYS 30 -10.519 3.992 -11.737 248 HB2 LYS 30 2HB LYS 30 -8.753 2.377 -9.918 249 HB3 LYS 30 3HB LYS 30 -8.410 2.495 -11.639 250 HG2 LYS 30 2HG LYS 30 -8.898 5.096 -10.476 251 HG3 LYS 30 3HG LYS 30 -7.589 4.243 -9.653 252 HD2 LYS 30 2HD LYS 30 -6.209 4.440 -11.410 253 HD3 LYS 30 3HD LYS 30 -7.478 4.031 -12.567 254 HE2 LYS 30 2HE LYS 30 -7.271 6.183 -13.186 255 HE3 LYS 30 3HE LYS 30 -8.284 6.491 -11.777 256 HZ1 LYS 30 1HZ LYS 30 -6.582 7.389 -10.639 257 HZ2 LYS 30 2HZ LYS 30 -5.934 7.662 -12.177 258 HZ3 LYS 30 3HZ LYS 30 -5.429 6.324 -11.273 259 H LEU 31 H LEU 31 -11.309 1.046 -10.018 260 HA LEU 31 HA LEU 31 -11.160 -0.702 -12.250 261 HB2 LEU 31 2HB LEU 31 -11.247 -1.204 -9.698 262 HB3 LEU 31 3HB LEU 31 -12.993 -1.169 -9.934 263 HG LEU 31 HG LEU 31 -11.392 -2.921 -11.722 264 HD11 LEU 31 1HD1 LEU 31 -10.380 -3.910 -9.988 265 HD12 LEU 31 2HD1 LEU 31 -11.967 -4.608 -9.665 266 HD13 LEU 31 3HD1 LEU 31 -11.451 -3.158 -8.805 267 HD21 LEU 31 1HD2 LEU 31 -13.841 -2.648 -11.936 268 HD22 LEU 31 2HD2 LEU 31 -14.029 -3.295 -10.306 269 HD23 LEU 31 3HD2 LEU 31 -13.359 -4.308 -11.586 270 H GLU 32 H GLU 32 -13.812 1.100 -10.742 271 HA GLU 32 HA GLU 32 -15.848 0.078 -12.428 272 HB2 GLU 32 2HB GLU 32 -17.180 2.007 -11.601 273 HB3 GLU 32 3HB GLU 32 -16.433 1.073 -10.312 274 HG2 GLU 32 2HG GLU 32 -14.644 2.753 -10.160 275 HG3 GLU 32 3HG GLU 32 -15.456 3.702 -11.405 276 H GLU 33 H GLU 33 -13.802 2.958 -12.570 277 HA GLU 33 HA GLU 33 -15.061 4.107 -14.835 278 HB2 GLU 33 2HB GLU 33 -13.304 5.053 -13.058 279 HB3 GLU 33 3HB GLU 33 -12.174 4.618 -14.332 280 HG2 GLU 33 2HG GLU 33 -13.215 6.083 -15.877 281 HG3 GLU 33 3HG GLU 33 -14.582 6.351 -14.798 282 H SER 34 H SER 34 -12.460 1.793 -14.420 283 HA SER 34 HA SER 34 -11.448 1.849 -17.047 284 HB2 SER 34 2HB SER 34 -10.163 0.806 -15.293 285 HB3 SER 34 3HB SER 34 -11.453 -0.353 -14.972 286 HG SER 34 HG SER 34 -9.640 -0.243 -17.106 287 H GLU 35 H GLU 35 -13.947 -0.156 -15.526 288 HA GLU 35 HA GLU 35 -14.509 -1.549 -17.991 289 HB2 GLU 35 2HB GLU 35 -15.665 -1.613 -15.221 290 HB3 GLU 35 3HB GLU 35 -16.498 -2.401 -16.553 291 HG2 GLU 35 2HG GLU 35 -13.642 -2.972 -15.813 292 HG3 GLU 35 3HG GLU 35 -15.017 -3.879 -15.185 293 H GLY 36 H GLY 36 -15.247 1.465 -16.853 294 HA2 GLY 36 2HA GLY 36 -16.556 3.037 -18.014 295 HA3 GLY 36 3HA GLY 36 -17.442 1.716 -18.760 296 H ILE 37 H ILE 37 -18.255 0.276 -16.559 297 HA ILE 37 HA ILE 37 -19.736 2.173 -14.886 298 HB ILE 37 HB ILE 37 -21.780 0.691 -15.163 299 HG12 ILE 37 2HG1 ILE 37 -20.533 -0.093 -17.786 300 HG13 ILE 37 3HG1 ILE 37 -20.338 -1.099 -16.354 301 HG21 ILE 37 1HG2 ILE 37 -21.092 2.972 -16.371 302 HG22 ILE 37 2HG2 ILE 37 -21.268 1.945 -17.792 303 HG23 ILE 37 3HG2 ILE 37 -22.621 2.150 -16.680 304 HD11 ILE 37 1HD1 ILE 37 -22.274 -2.054 -16.812 305 HD12 ILE 37 2HD1 ILE 37 -23.079 -0.504 -16.561 306 HD13 ILE 37 3HD1 ILE 37 -22.524 -0.960 -18.172 307 HA PRO 38 HA PRO 38 -18.848 -0.600 -11.600 308 HB2 PRO 38 2HB PRO 38 -21.014 -0.237 -10.004 309 HB3 PRO 38 3HB PRO 38 -19.742 0.977 -10.187 310 HG2 PRO 38 2HG PRO 38 -22.424 0.830 -11.509 311 HG3 PRO 38 3HG PRO 38 -21.595 2.235 -10.813 312 HD2 PRO 38 2HD PRO 38 -21.641 1.741 -13.475 313 HD3 PRO 38 3HD PRO 38 -20.268 2.531 -12.674 314 H GLY 39 H GLY 39 -19.056 -2.733 -11.247 315 HA2 GLY 39 2HA GLY 39 -20.671 -4.388 -12.760 316 HA3 GLY 39 3HA GLY 39 -19.930 -4.858 -11.238 317 H ASN 40 H ASN 40 -21.258 -3.231 -9.452 318 HA ASN 40 HA ASN 40 -24.015 -3.043 -9.691 319 HB2 ASN 40 2HB ASN 40 -23.157 -5.751 -9.458 320 HB3 ASN 40 3HB ASN 40 -23.964 -5.308 -7.956 321 HD21 ASN 40 1HD2 ASN 40 -26.131 -5.033 -7.932 322 HD22 ASN 40 2HD2 ASN 40 -27.153 -5.282 -9.302 323 H MET 41 H MET 41 -22.111 -4.625 -7.128 324 HA MET 41 HA MET 41 -22.898 -2.451 -5.318 325 HB2 MET 41 2HB MET 41 -22.387 -5.340 -4.986 326 HB3 MET 41 3HB MET 41 -21.784 -4.316 -3.690 327 HG2 MET 41 2HG MET 41 -24.069 -3.327 -3.517 328 HG3 MET 41 3HG MET 41 -24.617 -4.545 -4.667 329 HE1 MET 41 1HE MET 41 -23.302 -5.256 -0.321 330 HE2 MET 41 2HE MET 41 -22.282 -4.418 -1.490 331 HE3 MET 41 3HE MET 41 -23.822 -3.712 -0.997 332 H ILE 42 H ILE 42 -20.112 -4.261 -6.499 333 HA ILE 42 HA ILE 42 -17.861 -3.925 -6.296 334 HB ILE 42 HB ILE 42 -18.579 -0.997 -6.251 335 HG12 ILE 42 2HG1 ILE 42 -19.846 -2.058 -8.038 336 HG13 ILE 42 3HG1 ILE 42 -18.527 -1.116 -8.725 337 HG21 ILE 42 1HG2 ILE 42 -16.333 -0.920 -6.107 338 HG22 ILE 42 2HG2 ILE 42 -16.132 -2.565 -6.708 339 HG23 ILE 42 3HG2 ILE 42 -16.411 -1.242 -7.840 340 HD11 ILE 42 1HD1 ILE 42 -17.777 -2.898 -9.790 341 HD12 ILE 42 2HD1 ILE 42 -17.636 -3.787 -8.272 342 HD13 ILE 42 3HD1 ILE 42 -19.152 -3.815 -9.174 343 H ARG 43 H ARG 43 -18.619 -4.670 -3.920 344 HA ARG 43 HA ARG 43 -17.387 -2.748 -2.056 345 HB2 ARG 43 2HB ARG 43 -19.766 -4.540 -1.725 346 HB3 ARG 43 3HB ARG 43 -18.802 -4.099 -0.321 347 HG2 ARG 43 2HG ARG 43 -19.175 -1.668 -1.395 348 HG3 ARG 43 3HG ARG 43 -20.647 -2.474 -1.941 349 HD2 ARG 43 2HD ARG 43 -21.495 -2.626 0.146 350 HD3 ARG 43 3HD ARG 43 -19.918 -2.916 0.878 351 HE ARG 43 HE ARG 43 -19.817 -0.696 1.364 352 HH11 ARG 43 1HH1 ARG 43 -22.032 -1.141 -1.285 353 HH12 ARG 43 2HH1 ARG 43 -22.496 0.527 -1.349 354 HH21 ARG 43 1HH2 ARG 43 -20.419 1.503 1.290 355 HH22 ARG 43 2HH2 ARG 43 -21.577 2.030 0.116 356 H LEU 44 H LEU 44 -15.526 -3.418 -1.235 357 HA LEU 44 HA LEU 44 -14.922 -6.294 -1.269 358 HB2 LEU 44 2HB LEU 44 -12.565 -5.611 -1.129 359 HB3 LEU 44 3HB LEU 44 -13.378 -4.974 -2.556 360 HG LEU 44 HG LEU 44 -13.650 -2.924 -0.751 361 HD11 LEU 44 1HD1 LEU 44 -11.682 -4.571 0.335 362 HD12 LEU 44 2HD1 LEU 44 -12.031 -2.898 0.767 363 HD13 LEU 44 3HD1 LEU 44 -10.805 -3.257 -0.448 364 HD21 LEU 44 1HD2 LEU 44 -12.881 -3.062 -3.220 365 HD22 LEU 44 2HD2 LEU 44 -11.255 -3.110 -2.537 366 HD23 LEU 44 3HD2 LEU 44 -12.308 -1.731 -2.214 367 H VAL 45 H VAL 45 -13.746 -7.204 0.529 368 HA VAL 45 HA VAL 45 -14.380 -5.853 3.070 369 HB VAL 45 HB VAL 45 -13.995 -8.818 2.655 370 HG11 VAL 45 1HG1 VAL 45 -14.966 -9.028 4.867 371 HG12 VAL 45 2HG1 VAL 45 -13.549 -7.977 4.925 372 HG13 VAL 45 3HG1 VAL 45 -15.169 -7.279 4.968 373 HG21 VAL 45 1HG2 VAL 45 -16.012 -8.811 1.701 374 HG22 VAL 45 2HG2 VAL 45 -16.652 -8.385 3.288 375 HG23 VAL 45 3HG2 VAL 45 -16.287 -7.119 2.116 376 H TYR 46 H TYR 46 -12.722 -5.201 4.261 377 HA TYR 46 HA TYR 46 -10.056 -6.290 3.678 378 HB2 TYR 46 2HB TYR 46 -10.806 -3.705 3.693 379 HB3 TYR 46 3HB TYR 46 -10.340 -3.878 5.382 380 HD1 TYR 46 HD1 TYR 46 -8.928 -5.192 2.175 381 HD2 TYR 46 HD2 TYR 46 -8.253 -2.972 5.742 382 HE1 TYR 46 HE1 TYR 46 -6.567 -4.909 1.545 383 HE2 TYR 46 HE2 TYR 46 -5.890 -2.683 5.122 384 HH TYR 46 HH TYR 46 -4.229 -3.557 3.741 385 H GLN 47 H GLN 47 -9.357 -7.787 5.039 386 HA GLN 47 HA GLN 47 -9.012 -9.015 6.923 387 HB2 GLN 47 2HB GLN 47 -8.313 -6.423 7.496 388 HB3 GLN 47 3HB GLN 47 -9.427 -6.802 8.803 389 HG2 GLN 47 2HG GLN 47 -7.994 -8.963 9.026 390 HG3 GLN 47 3HG GLN 47 -6.788 -8.022 8.150 391 HE21 GLN 47 1HE2 GLN 47 -6.360 -5.825 9.070 392 HE22 GLN 47 2HE2 GLN 47 -6.287 -5.691 10.791 393 H GLY 48 H GLY 48 -11.714 -8.830 5.969 394 HA2 GLY 48 2HA GLY 48 -13.720 -9.739 6.675 395 HA3 GLY 48 3HA GLY 48 -13.055 -9.852 8.298 396 H LYS 49 H LYS 49 -12.651 -6.755 7.090 397 HA LYS 49 HA LYS 49 -15.101 -5.841 8.452 398 HB2 LYS 49 2HB LYS 49 -12.365 -5.193 8.938 399 HB3 LYS 49 3HB LYS 49 -13.172 -3.750 8.339 400 HG2 LYS 49 2HG LYS 49 -14.041 -3.404 10.340 401 HG3 LYS 49 3HG LYS 49 -14.874 -4.958 10.255 402 HD2 LYS 49 2HD LYS 49 -12.006 -4.650 11.127 403 HD3 LYS 49 3HD LYS 49 -13.370 -4.652 12.247 404 HE2 LYS 49 2HE LYS 49 -12.688 -6.879 10.329 405 HE3 LYS 49 3HE LYS 49 -12.291 -6.863 12.047 406 HZ1 LYS 49 1HZ LYS 49 -14.846 -7.318 10.736 407 HZ2 LYS 49 2HZ LYS 49 -14.898 -6.405 12.158 408 HZ3 LYS 49 3HZ LYS 49 -14.238 -7.962 12.177 409 H GLN 50 H GLN 50 -15.900 -3.704 7.712 410 HA GLN 50 HA GLN 50 -15.458 -3.368 4.818 411 HB2 GLN 50 2HB GLN 50 -17.996 -2.854 6.379 412 HB3 GLN 50 3HB GLN 50 -17.787 -2.623 4.648 413 HG2 GLN 50 2HG GLN 50 -17.547 -4.956 4.281 414 HG3 GLN 50 3HG GLN 50 -17.440 -5.278 6.011 415 HE21 GLN 50 1HE2 GLN 50 -19.306 -6.196 3.858 416 HE22 GLN 50 2HE2 GLN 50 -20.884 -5.869 4.479 417 H LEU 51 H LEU 51 -16.193 -1.116 4.067 418 HA LEU 51 HA LEU 51 -15.864 1.134 4.061 419 HB2 LEU 51 2HB LEU 51 -15.880 1.157 7.051 420 HB3 LEU 51 3HB LEU 51 -16.492 2.367 5.924 421 HG LEU 51 HG LEU 51 -17.771 -0.313 6.465 422 HD11 LEU 51 1HD1 LEU 51 -17.917 2.227 7.848 423 HD12 LEU 51 2HD1 LEU 51 -18.561 0.651 8.306 424 HD13 LEU 51 3HD1 LEU 51 -19.491 1.709 7.245 425 HD21 LEU 51 1HD2 LEU 51 -18.327 1.909 4.570 426 HD22 LEU 51 2HD2 LEU 51 -19.697 1.085 5.315 427 HD23 LEU 51 3HD2 LEU 51 -18.526 0.168 4.365 428 H GLU 52 H GLU 52 -13.777 1.132 3.281 429 HA GLU 52 HA GLU 52 -11.667 1.468 5.310 430 HB2 GLU 52 2HB GLU 52 -11.413 0.199 2.577 431 HB3 GLU 52 3HB GLU 52 -10.077 0.508 3.676 432 HG2 GLU 52 2HG GLU 52 -12.303 -1.472 3.937 433 HG3 GLU 52 3HG GLU 52 -10.562 -1.745 3.978 434 H ASP 53 H ASP 53 -13.465 3.006 3.041 435 HA ASP 53 HA ASP 53 -11.693 4.503 1.512 436 HB2 ASP 53 2HB ASP 53 -14.283 4.402 1.452 437 HB3 ASP 53 3HB ASP 53 -14.209 5.704 2.637 438 H GLU 54 H GLU 54 -12.716 4.919 4.844 439 HA GLU 54 HA GLU 54 -11.565 7.511 5.170 440 HB2 GLU 54 2HB GLU 54 -13.262 5.890 6.654 441 HB3 GLU 54 3HB GLU 54 -11.794 5.953 7.619 442 HG2 GLU 54 2HG GLU 54 -12.335 7.961 8.355 443 HG3 GLU 54 3HG GLU 54 -12.380 8.579 6.705 444 H LYS 55 H LYS 55 -10.314 4.332 5.126 445 HA LYS 55 HA LYS 55 -7.878 5.128 6.549 446 HB2 LYS 55 2HB LYS 55 -8.980 2.456 5.699 447 HB3 LYS 55 3HB LYS 55 -7.320 2.645 6.248 448 HG2 LYS 55 2HG LYS 55 -8.314 2.059 8.206 449 HG3 LYS 55 3HG LYS 55 -8.492 3.813 8.299 450 HD2 LYS 55 2HD LYS 55 -10.754 3.343 7.063 451 HD3 LYS 55 3HD LYS 55 -10.543 1.720 7.726 452 HE2 LYS 55 2HE LYS 55 -10.516 2.551 9.956 453 HE3 LYS 55 3HE LYS 55 -10.407 4.220 9.399 454 HZ1 LYS 55 1HZ LYS 55 -12.625 3.968 9.965 455 HZ2 LYS 55 2HZ LYS 55 -12.730 2.403 9.332 456 HZ3 LYS 55 3HZ LYS 55 -12.646 3.732 8.290 457 H ARG 56 H ARG 56 -8.432 6.236 3.970 458 HA ARG 56 HA ARG 56 -7.279 5.006 1.798 459 HB2 ARG 56 2HB ARG 56 -6.556 7.458 1.207 460 HB3 ARG 56 3HB ARG 56 -8.259 7.025 1.268 461 HG2 ARG 56 2HG ARG 56 -7.384 7.858 3.863 462 HG3 ARG 56 3HG ARG 56 -6.951 9.074 2.660 463 HD2 ARG 56 2HD ARG 56 -9.516 8.353 1.949 464 HD3 ARG 56 3HD ARG 56 -9.560 8.328 3.711 465 HE ARG 56 HE ARG 56 -8.299 10.688 2.879 466 HH11 ARG 56 1HH1 ARG 56 -11.439 9.185 2.837 467 HH12 ARG 56 2HH1 ARG 56 -12.303 10.687 2.850 468 HH21 ARG 56 1HH2 ARG 56 -9.424 12.672 2.896 469 HH22 ARG 56 2HH2 ARG 56 -11.156 12.670 2.883 470 H LEU 57 H LEU 57 -5.548 7.418 3.776 471 HA LEU 57 HA LEU 57 -2.999 6.612 2.813 472 HB2 LEU 57 2HB LEU 57 -3.787 8.865 3.847 473 HB3 LEU 57 3HB LEU 57 -3.383 8.097 5.381 474 HG LEU 57 HG LEU 57 -1.369 8.264 3.165 475 HD11 LEU 57 1HD1 LEU 57 -2.204 10.535 3.529 476 HD12 LEU 57 2HD1 LEU 57 -0.550 10.348 4.111 477 HD13 LEU 57 3HD1 LEU 57 -1.891 10.372 5.257 478 HD21 LEU 57 1HD2 LEU 57 -0.267 8.595 5.730 479 HD22 LEU 57 2HD2 LEU 57 -0.137 7.193 4.668 480 HD23 LEU 57 3HD2 LEU 57 -1.440 7.284 5.854 481 H LYS 58 H LYS 58 -4.897 5.832 5.664 482 HA LYS 58 HA LYS 58 -2.925 4.586 7.201 483 HB2 LYS 58 2HB LYS 58 -5.759 4.875 7.270 484 HB3 LYS 58 3HB LYS 58 -5.382 3.176 7.527 485 HG2 LYS 58 2HG LYS 58 -3.643 4.874 9.082 486 HG3 LYS 58 3HG LYS 58 -5.344 5.210 9.418 487 HD2 LYS 58 2HD LYS 58 -5.757 3.034 10.142 488 HD3 LYS 58 3HD LYS 58 -4.325 2.392 9.332 489 HE2 LYS 58 2HE LYS 58 -3.082 4.025 10.988 490 HE3 LYS 58 3HE LYS 58 -4.563 3.837 11.926 491 HZ1 LYS 58 1HZ LYS 58 -3.871 1.866 12.613 492 HZ2 LYS 58 2HZ LYS 58 -2.404 2.099 11.804 493 HZ3 LYS 58 3HZ LYS 58 -3.684 1.314 11.025 494 H ASP 59 H ASP 59 -4.630 3.508 4.377 495 HA ASP 59 HA ASP 59 -3.891 0.734 4.717 496 HB2 ASP 59 2HB ASP 59 -5.495 2.306 2.783 497 HB3 ASP 59 3HB ASP 59 -4.715 0.859 2.151 498 H TYR 60 H TYR 60 -2.499 3.558 3.388 499 HA TYR 60 HA TYR 60 -0.820 2.258 1.460 500 HB2 TYR 60 2HB TYR 60 -1.491 4.631 1.249 501 HB3 TYR 60 3HB TYR 60 -0.558 5.009 2.692 502 HD1 TYR 60 HD1 TYR 60 0.153 2.990 -0.377 503 HD2 TYR 60 HD2 TYR 60 1.333 6.207 2.146 504 HE1 TYR 60 HE1 TYR 60 2.151 3.340 -1.768 505 HE2 TYR 60 HE2 TYR 60 3.333 6.567 0.761 506 HH TYR 60 HH TYR 60 4.225 6.102 -1.342 507 H GLN 61 H GLN 61 -0.722 2.719 4.841 508 HA GLN 61 HA GLN 61 2.159 2.483 5.052 509 HB2 GLN 61 2HB GLN 61 -0.004 2.528 7.161 510 HB3 GLN 61 3HB GLN 61 1.720 2.480 7.502 511 HG2 GLN 61 2HG GLN 61 2.058 4.639 6.629 512 HG3 GLN 61 3HG GLN 61 0.465 4.665 5.874 513 HE21 GLN 61 1HE2 GLN 61 -1.207 3.912 7.808 514 HE22 GLN 61 2HE2 GLN 61 -1.154 5.007 9.143 515 H MET 62 H MET 62 -0.406 0.384 4.608 516 HA MET 62 HA MET 62 0.611 -1.808 6.183 517 HB2 MET 62 2HB MET 62 -1.426 -2.024 3.978 518 HB3 MET 62 3HB MET 62 -1.238 -3.050 5.394 519 HG2 MET 62 2HG MET 62 -2.075 -0.163 5.492 520 HG3 MET 62 3HG MET 62 -3.191 -1.527 5.484 521 HE1 MET 62 1HE MET 62 -3.079 -3.380 6.919 522 HE2 MET 62 2HE MET 62 -1.798 -3.639 8.103 523 HE3 MET 62 3HE MET 62 -3.364 -3.011 8.620 524 H SER 63 H SER 63 0.153 -1.295 2.679 525 HA SER 63 HA SER 63 1.190 -2.210 0.867 526 HB2 SER 63 2HB SER 63 3.670 -2.279 2.587 527 HB3 SER 63 3HB SER 63 3.566 -2.064 0.840 528 HG SER 63 HG SER 63 3.923 -0.108 2.117 529 H ALA 64 H ALA 64 -0.066 -4.055 2.681 530 HA ALA 64 HA ALA 64 0.802 -6.487 1.608 531 HB1 ALA 64 1HB ALA 64 1.603 -7.496 3.835 532 HB2 ALA 64 2HB ALA 64 2.731 -6.503 2.911 533 HB3 ALA 64 3HB ALA 64 1.905 -5.826 4.315 534 H GLY 65 H GLY 65 -1.656 -5.453 1.751 535 HA2 GLY 65 2HA GLY 65 -2.986 -7.131 3.786 536 HA3 GLY 65 3HA GLY 65 -3.569 -5.521 3.387 537 H ALA 66 H ALA 66 -4.038 -8.740 2.844 538 HA ALA 66 HA ALA 66 -4.643 -8.867 0.100 539 HB1 ALA 66 1HB ALA 66 -6.248 -10.532 1.939 540 HB2 ALA 66 2HB ALA 66 -5.316 -10.987 0.512 541 HB3 ALA 66 3HB ALA 66 -4.496 -10.702 2.047 542 H THR 67 H THR 67 -6.411 -8.348 -1.066 543 HA THR 67 HA THR 67 -8.726 -7.244 0.388 544 HB THR 67 HB THR 67 -8.581 -6.123 -2.237 545 HG1 THR 67 HG1 THR 67 -6.432 -6.135 -2.370 546 HG21 THR 67 1HG2 THR 67 -9.394 -5.354 0.242 547 HG22 THR 67 2HG2 THR 67 -9.199 -4.259 -1.127 548 HG23 THR 67 3HG2 THR 67 -7.909 -4.420 0.064 549 H PHE 68 H PHE 68 -10.741 -7.799 -0.320 550 HA PHE 68 HA PHE 68 -10.912 -9.534 -2.690 551 HB2 PHE 68 2HB PHE 68 -11.003 -11.039 -0.836 552 HB3 PHE 68 3HB PHE 68 -12.126 -10.000 0.034 553 HD1 PHE 68 HD1 PHE 68 -11.842 -11.965 -3.115 554 HD2 PHE 68 HD2 PHE 68 -14.387 -10.447 -0.060 555 HE1 PHE 68 HE1 PHE 68 -13.731 -13.220 -4.070 556 HE2 PHE 68 HE2 PHE 68 -16.280 -11.699 -1.010 557 HZ PHE 68 HZ PHE 68 -15.953 -13.089 -3.016 558 H HIS 69 H HIS 69 -12.139 -8.537 -4.136 559 HA HIS 69 HA HIS 69 -14.178 -6.645 -3.285 560 HB2 HIS 69 2HB HIS 69 -13.141 -7.393 -6.025 561 HB3 HIS 69 3HB HIS 69 -14.384 -6.180 -5.735 562 HD1 HIS 69 HD1 HIS 69 -13.264 -4.021 -6.221 563 HD2 HIS 69 HD2 HIS 69 -10.895 -6.514 -3.891 564 HE1 HIS 69 HE1 HIS 69 -11.244 -2.653 -5.613 565 H MET 70 H MET 70 -16.363 -6.833 -3.701 566 HA MET 70 HA MET 70 -17.281 -9.429 -4.740 567 HB2 MET 70 2HB MET 70 -17.483 -9.447 -2.309 568 HB3 MET 70 3HB MET 70 -18.382 -7.937 -2.353 569 HG2 MET 70 2HG MET 70 -20.288 -9.013 -2.651 570 HG3 MET 70 3HG MET 70 -19.641 -9.867 -4.050 571 HE1 MET 70 1HE MET 70 -19.675 -9.851 -0.091 572 HE2 MET 70 2HE MET 70 -21.248 -10.269 -0.770 573 HE3 MET 70 3HE MET 70 -20.329 -11.475 0.132 574 H VAL 71 H VAL 71 -18.766 -9.304 -6.300 575 HA VAL 71 HA VAL 71 -20.347 -6.839 -6.560 576 HB VAL 71 HB VAL 71 -19.020 -8.263 -8.871 577 HG11 VAL 71 1HG1 VAL 71 -20.346 -7.113 -10.237 578 HG12 VAL 71 2HG1 VAL 71 -21.305 -6.672 -8.823 579 HG13 VAL 71 3HG1 VAL 71 -20.018 -5.604 -9.386 580 HG21 VAL 71 1HG2 VAL 71 -17.430 -7.013 -7.452 581 HG22 VAL 71 2HG2 VAL 71 -17.590 -6.323 -9.066 582 HG23 VAL 71 3HG2 VAL 71 -18.392 -5.556 -7.696 583 H VAL 72 H VAL 72 -22.387 -7.452 -6.270 584 HA VAL 72 HA VAL 72 -23.266 -10.043 -7.345 585 HB VAL 72 HB VAL 72 -23.734 -9.863 -5.008 586 HG11 VAL 72 1HG1 VAL 72 -23.974 -7.868 -4.064 587 HG12 VAL 72 2HG1 VAL 72 -24.200 -7.107 -5.640 588 HG13 VAL 72 3HG1 VAL 72 -25.587 -7.765 -4.770 589 HG21 VAL 72 1HG2 VAL 72 -25.894 -10.567 -5.068 590 HG22 VAL 72 2HG2 VAL 72 -26.431 -9.198 -6.041 591 HG23 VAL 72 3HG2 VAL 72 -25.584 -10.544 -6.804 592 H ALA 73 H ALA 73 -24.078 -9.865 -9.332 593 HA ALA 73 HA ALA 73 -25.903 -7.618 -9.892 594 HB1 ALA 73 1HB ALA 73 -23.978 -9.007 -11.745 595 HB2 ALA 73 2HB ALA 73 -25.236 -7.895 -12.287 596 HB3 ALA 73 3HB ALA 73 -23.950 -7.321 -11.226 597 H LEU 74 H LEU 74 -27.860 -8.542 -9.539 598 HA LEU 74 HA LEU 74 -28.446 -11.068 -10.931 599 HB2 LEU 74 2HB LEU 74 -30.292 -11.344 -9.362 600 HB3 LEU 74 3HB LEU 74 -28.746 -11.196 -8.530 601 HG LEU 74 HG LEU 74 -29.796 -8.602 -8.628 602 HD11 LEU 74 1HD1 LEU 74 -32.000 -8.678 -7.943 603 HD12 LEU 74 2HD1 LEU 74 -31.906 -10.375 -7.471 604 HD13 LEU 74 3HD1 LEU 74 -31.951 -9.936 -9.179 605 HD21 LEU 74 1HD2 LEU 74 -28.438 -9.726 -6.854 606 HD22 LEU 74 2HD2 LEU 74 -29.908 -10.545 -6.328 607 HD23 LEU 74 3HD2 LEU 74 -29.802 -8.786 -6.249 608 H ARG 75 H ARG 75 -29.288 -7.724 -10.627 609 HA ARG 75 HA ARG 75 -31.793 -7.927 -12.018 610 HB2 ARG 75 2HB ARG 75 -30.743 -6.051 -10.380 611 HB3 ARG 75 3HB ARG 75 -30.386 -5.326 -11.942 612 HG2 ARG 75 2HG ARG 75 -32.434 -4.447 -11.732 613 HG3 ARG 75 3HG ARG 75 -32.974 -6.031 -12.293 614 HD2 ARG 75 2HD ARG 75 -33.737 -6.646 -10.247 615 HD3 ARG 75 3HD ARG 75 -32.484 -5.748 -9.391 616 HE ARG 75 HE ARG 75 -33.915 -3.973 -9.252 617 HH11 ARG 75 1HH1 ARG 75 -35.056 -6.148 -11.719 618 HH12 ARG 75 2HH1 ARG 75 -36.541 -5.292 -11.970 619 HH21 ARG 75 1HH2 ARG 75 -35.867 -2.837 -9.573 620 HH22 ARG 75 2HH2 ARG 75 -37.001 -3.409 -10.749 621 H ALA 76 H ALA 76 -28.660 -6.439 -12.861 622 HA ALA 76 HA ALA 76 -28.866 -7.425 -15.569 623 HB1 ALA 76 1HB ALA 76 -28.373 -4.785 -16.136 624 HB2 ALA 76 2HB ALA 76 -29.911 -5.619 -16.365 625 HB3 ALA 76 3HB ALA 76 -29.621 -4.693 -14.892 626 H GLY 77 H GLY 77 -26.928 -6.858 -16.865 627 HA2 GLY 77 2HA GLY 77 -24.647 -5.673 -15.667 628 HA3 GLY 77 3HA GLY 77 -24.568 -7.421 -15.508 629 H CYS 78 H CYS 78 -25.281 -4.972 -18.000 630 HA CYS 78 HA CYS 78 -23.331 -6.214 -19.758 631 HB2 CYS 78 2HB CYS 78 -24.883 -6.486 -21.616 632 HB3 CYS 78 3HB CYS 78 -25.422 -7.436 -20.237 633 HG CYS 78 HG CYS 78 -27.767 -6.536 -21.168 Start of MODEL 10 1 H MET 1 H MET 1 1.599 0.162 0.890 2 HA MET 1 HA MET 1 1.694 0.938 -1.696 3 HB2 MET 1 2HB MET 1 3.611 0.402 -0.025 4 HB3 MET 1 3HB MET 1 3.601 -1.190 -0.773 5 HG2 MET 1 2HG MET 1 4.203 -0.315 -2.877 6 HG3 MET 1 3HG MET 1 3.871 1.338 -2.365 7 HE1 MET 1 1HE MET 1 6.263 2.214 -3.248 8 HE2 MET 1 2HE MET 1 5.599 2.909 -1.769 9 HE3 MET 1 3HE MET 1 7.314 2.509 -1.863 10 H LEU 2 H LEU 2 2.145 -2.501 -0.856 11 HA LEU 2 HA LEU 2 1.083 -3.210 -3.495 12 HB2 LEU 2 2HB LEU 2 3.148 -4.233 -3.220 13 HB3 LEU 2 3HB LEU 2 2.853 -4.591 -1.520 14 HG LEU 2 HG LEU 2 1.152 -5.964 -3.531 15 HD11 LEU 2 1HD1 LEU 2 2.897 -6.748 -4.672 16 HD12 LEU 2 2HD1 LEU 2 3.277 -7.684 -3.227 17 HD13 LEU 2 3HD1 LEU 2 4.055 -6.125 -3.497 18 HD21 LEU 2 1HD2 LEU 2 1.814 -7.834 -1.801 19 HD22 LEU 2 2HD2 LEU 2 0.582 -6.631 -1.418 20 HD23 LEU 2 3HD2 LEU 2 2.223 -6.444 -0.796 21 H LEU 3 H LEU 3 -0.881 -4.055 -3.703 22 HA LEU 3 HA LEU 3 -2.078 -5.497 -1.453 23 HB2 LEU 3 2HB LEU 3 -4.019 -4.247 -1.385 24 HB3 LEU 3 3HB LEU 3 -2.771 -3.019 -1.589 25 HG LEU 3 HG LEU 3 -4.500 -4.101 -3.813 26 HD11 LEU 3 1HD1 LEU 3 -5.168 -1.485 -3.508 27 HD12 LEU 3 2HD1 LEU 3 -4.928 -1.984 -1.834 28 HD13 LEU 3 3HD1 LEU 3 -6.084 -2.842 -2.852 29 HD21 LEU 3 1HD2 LEU 3 -3.630 -2.015 -4.952 30 HD22 LEU 3 2HD2 LEU 3 -2.471 -3.327 -4.737 31 HD23 LEU 3 3HD2 LEU 3 -2.427 -1.927 -3.665 32 H LYS 4 H LYS 4 -3.637 -7.032 -2.030 33 HA LYS 4 HA LYS 4 -3.755 -7.630 -4.914 34 HB2 LYS 4 2HB LYS 4 -2.487 -9.336 -3.807 35 HB3 LYS 4 3HB LYS 4 -3.693 -9.488 -2.535 36 HG2 LYS 4 2HG LYS 4 -5.299 -10.335 -4.209 37 HG3 LYS 4 3HG LYS 4 -4.021 -10.268 -5.425 38 HD2 LYS 4 2HD LYS 4 -3.584 -11.771 -2.876 39 HD3 LYS 4 3HD LYS 4 -4.513 -12.505 -4.185 40 HE2 LYS 4 2HE LYS 4 -2.699 -12.632 -5.583 41 HE3 LYS 4 3HE LYS 4 -1.886 -11.262 -4.828 42 HZ1 LYS 4 1HZ LYS 4 -2.144 -13.334 -2.945 43 HZ2 LYS 4 2HZ LYS 4 -0.730 -12.657 -3.581 44 HZ3 LYS 4 3HZ LYS 4 -1.460 -13.972 -4.356 45 H VAL 5 H VAL 5 -5.690 -7.162 -5.713 46 HA VAL 5 HA VAL 5 -8.058 -7.476 -4.001 47 HB VAL 5 HB VAL 5 -9.229 -6.062 -5.648 48 HG11 VAL 5 1HG1 VAL 5 -7.680 -3.982 -5.255 49 HG12 VAL 5 2HG1 VAL 5 -8.487 -4.772 -3.899 50 HG13 VAL 5 3HG1 VAL 5 -6.787 -5.106 -4.231 51 HG21 VAL 5 1HG2 VAL 5 -7.154 -4.859 -7.064 52 HG22 VAL 5 2HG2 VAL 5 -6.846 -6.591 -7.192 53 HG23 VAL 5 3HG2 VAL 5 -8.397 -5.930 -7.710 54 H LYS 6 H LYS 6 -9.476 -9.048 -4.382 55 HA LYS 6 HA LYS 6 -9.435 -10.372 -7.013 56 HB2 LYS 6 2HB LYS 6 -10.085 -12.473 -5.691 57 HB3 LYS 6 3HB LYS 6 -8.407 -11.951 -5.617 58 HG2 LYS 6 2HG LYS 6 -8.787 -10.942 -3.447 59 HG3 LYS 6 3HG LYS 6 -10.496 -11.377 -3.525 60 HD2 LYS 6 2HD LYS 6 -8.190 -13.326 -3.531 61 HD3 LYS 6 3HD LYS 6 -9.200 -12.940 -2.135 62 HE2 LYS 6 2HE LYS 6 -10.636 -14.509 -2.772 63 HE3 LYS 6 3HE LYS 6 -10.939 -13.606 -4.256 64 HZ1 LYS 6 1HZ LYS 6 -9.503 -16.041 -3.885 65 HZ2 LYS 6 2HZ LYS 6 -8.563 -14.891 -4.694 66 HZ3 LYS 6 3HZ LYS 6 -10.072 -15.337 -5.314 67 H THR 7 H THR 7 -11.318 -10.234 -8.022 68 HA THR 7 HA THR 7 -13.701 -9.452 -6.559 69 HB THR 7 HB THR 7 -13.954 -10.036 -9.439 70 HG1 THR 7 HG1 THR 7 -12.138 -8.100 -8.427 71 HG21 THR 7 1HG2 THR 7 -14.810 -7.947 -7.488 72 HG22 THR 7 2HG2 THR 7 -15.776 -8.897 -8.617 73 HG23 THR 7 3HG2 THR 7 -14.797 -7.554 -9.206 74 H VAL 8 H VAL 8 -15.812 -10.523 -7.299 75 HA VAL 8 HA VAL 8 -15.716 -13.262 -6.556 76 HB VAL 8 HB VAL 8 -17.644 -11.757 -6.084 77 HG11 VAL 8 1HG1 VAL 8 -18.448 -12.197 -8.948 78 HG12 VAL 8 2HG1 VAL 8 -19.195 -11.137 -7.751 79 HG13 VAL 8 3HG1 VAL 8 -17.606 -10.744 -8.409 80 HG21 VAL 8 1HG2 VAL 8 -18.529 -14.138 -7.691 81 HG22 VAL 8 2HG2 VAL 8 -17.738 -14.296 -6.123 82 HG23 VAL 8 3HG2 VAL 8 -19.279 -13.447 -6.252 83 H SER 9 H SER 9 -15.161 -11.732 -9.490 84 HA SER 9 HA SER 9 -16.173 -13.881 -11.159 85 HB2 SER 9 2HB SER 9 -15.078 -11.169 -11.601 86 HB3 SER 9 3HB SER 9 -14.713 -12.350 -12.858 87 HG SER 9 HG SER 9 -16.764 -12.424 -13.404 88 H ASN 10 H ASN 10 -13.790 -13.947 -9.138 89 HA ASN 10 HA ASN 10 -11.895 -15.191 -8.933 90 HB2 ASN 10 2HB ASN 10 -13.368 -16.529 -10.850 91 HB3 ASN 10 3HB ASN 10 -11.813 -16.292 -11.642 92 HD21 ASN 10 1HD2 ASN 10 -13.076 -17.213 -8.454 93 HD22 ASN 10 2HD2 ASN 10 -11.966 -18.514 -8.204 94 H LYS 11 H LYS 11 -11.883 -12.486 -10.022 95 HA LYS 11 HA LYS 11 -9.480 -12.579 -11.717 96 HB2 LYS 11 2HB LYS 11 -11.527 -10.398 -11.297 97 HB3 LYS 11 3HB LYS 11 -10.035 -10.171 -12.200 98 HG2 LYS 11 2HG LYS 11 -10.709 -11.698 -13.877 99 HG3 LYS 11 3HG LYS 11 -12.066 -12.272 -12.904 100 HD2 LYS 11 2HD LYS 11 -13.355 -10.449 -13.378 101 HD3 LYS 11 3HD LYS 11 -11.964 -9.376 -13.554 102 HE2 LYS 11 2HE LYS 11 -11.663 -11.198 -15.614 103 HE3 LYS 11 3HE LYS 11 -13.402 -10.913 -15.558 104 HZ1 LYS 11 1HZ LYS 11 -13.165 -8.765 -16.180 105 HZ2 LYS 11 2HZ LYS 11 -11.762 -9.365 -16.910 106 HZ3 LYS 11 3HZ LYS 11 -11.666 -8.572 -15.419 107 H VAL 12 H VAL 12 -7.745 -12.592 -10.413 108 HA VAL 12 HA VAL 12 -7.682 -10.729 -8.139 109 HB VAL 12 HB VAL 12 -5.787 -13.017 -8.672 110 HG11 VAL 12 1HG1 VAL 12 -4.695 -11.615 -7.198 111 HG12 VAL 12 2HG1 VAL 12 -6.191 -11.088 -6.425 112 HG13 VAL 12 3HG1 VAL 12 -5.549 -12.698 -6.100 113 HG21 VAL 12 1HG2 VAL 12 -8.504 -13.034 -7.672 114 HG22 VAL 12 2HG2 VAL 12 -7.454 -14.383 -8.103 115 HG23 VAL 12 3HG2 VAL 12 -7.367 -13.679 -6.489 116 H ILE 13 H ILE 13 -6.451 -8.972 -8.243 117 HA ILE 13 HA ILE 13 -4.264 -8.903 -10.217 118 HB ILE 13 HB ILE 13 -6.108 -6.629 -9.475 119 HG12 ILE 13 2HG1 ILE 13 -7.177 -8.217 -10.979 120 HG13 ILE 13 3HG1 ILE 13 -6.780 -6.744 -11.857 121 HG21 ILE 13 1HG2 ILE 13 -4.836 -5.525 -11.420 122 HG22 ILE 13 2HG2 ILE 13 -4.046 -5.614 -9.846 123 HG23 ILE 13 3HG2 ILE 13 -3.606 -6.753 -11.118 124 HD11 ILE 13 1HD1 ILE 13 -5.750 -7.982 -13.366 125 HD12 ILE 13 2HD1 ILE 13 -4.574 -8.454 -12.139 126 HD13 ILE 13 3HD1 ILE 13 -6.015 -9.436 -12.403 127 H GLN 14 H GLN 14 -2.366 -8.757 -9.237 128 HA GLN 14 HA GLN 14 -2.215 -7.430 -6.620 129 HB2 GLN 14 2HB GLN 14 -1.449 -9.705 -6.533 130 HB3 GLN 14 3HB GLN 14 -0.414 -9.465 -7.935 131 HG2 GLN 14 2HG GLN 14 0.294 -7.558 -5.947 132 HG3 GLN 14 3HG GLN 14 0.224 -9.155 -5.204 133 HE21 GLN 14 1HE2 GLN 14 1.136 -8.172 -8.477 134 HE22 GLN 14 2HE2 GLN 14 2.736 -8.821 -8.415 135 H ILE 15 H ILE 15 -1.494 -5.415 -6.651 136 HA ILE 15 HA ILE 15 0.552 -4.685 -8.643 137 HB ILE 15 HB ILE 15 -0.336 -2.348 -8.473 138 HG12 ILE 15 2HG1 ILE 15 -2.635 -3.734 -7.076 139 HG13 ILE 15 3HG1 ILE 15 -1.520 -2.590 -6.337 140 HG21 ILE 15 1HG2 ILE 15 -1.029 -4.308 -10.144 141 HG22 ILE 15 2HG2 ILE 15 -2.611 -3.973 -9.442 142 HG23 ILE 15 3HG2 ILE 15 -1.712 -2.686 -10.244 143 HD11 ILE 15 1HD1 ILE 15 -3.874 -2.120 -7.992 144 HD12 ILE 15 2HD1 ILE 15 -3.086 -1.078 -6.807 145 HD13 ILE 15 3HD1 ILE 15 -2.466 -1.165 -8.456 146 H THR 16 H THR 16 2.137 -3.153 -7.996 147 HA THR 16 HA THR 16 2.462 -2.939 -5.073 148 HB THR 16 HB THR 16 4.854 -3.099 -5.331 149 HG1 THR 16 HG1 THR 16 5.596 -2.426 -7.198 150 HG21 THR 16 1HG2 THR 16 4.656 -5.316 -5.264 151 HG22 THR 16 2HG2 THR 16 4.483 -5.365 -7.018 152 HG23 THR 16 3HG2 THR 16 3.057 -5.191 -5.995 153 H SER 17 H SER 17 1.092 -0.933 -5.915 154 HA SER 17 HA SER 17 2.736 1.337 -5.542 155 HB2 SER 17 2HB SER 17 3.418 1.163 -7.807 156 HB3 SER 17 3HB SER 17 1.786 0.773 -8.350 157 HG SER 17 HG SER 17 2.400 3.242 -7.122 158 H LEU 18 H LEU 18 1.114 1.533 -3.916 159 HA LEU 18 HA LEU 18 -1.534 2.353 -4.895 160 HB2 LEU 18 2HB LEU 18 -0.645 0.790 -2.657 161 HB3 LEU 18 3HB LEU 18 -1.562 2.184 -2.091 162 HG LEU 18 HG LEU 18 -2.521 0.044 -3.989 163 HD11 LEU 18 1HD1 LEU 18 -4.250 -0.034 -1.992 164 HD12 LEU 18 2HD1 LEU 18 -2.868 0.587 -1.091 165 HD13 LEU 18 3HD1 LEU 18 -2.742 -0.947 -1.951 166 HD21 LEU 18 1HD2 LEU 18 -4.739 1.317 -3.538 167 HD22 LEU 18 2HD2 LEU 18 -3.626 1.919 -4.767 168 HD23 LEU 18 3HD2 LEU 18 -3.677 2.678 -3.175 169 H THR 19 H THR 19 -2.520 4.242 -4.043 170 HA THR 19 HA THR 19 -0.649 6.389 -3.603 171 HB THR 19 HB THR 19 -3.522 6.964 -3.261 172 HG1 THR 19 HG1 THR 19 -2.683 6.400 -5.889 173 HG21 THR 19 1HG2 THR 19 -2.783 8.970 -3.886 174 HG22 THR 19 2HG2 THR 19 -2.249 8.316 -5.435 175 HG23 THR 19 3HG2 THR 19 -1.159 8.301 -4.049 176 H ASP 20 H ASP 20 -1.498 8.117 -1.911 177 HA ASP 20 HA ASP 20 -1.989 6.709 0.631 178 HB2 ASP 20 2HB ASP 20 -0.593 8.826 1.498 179 HB3 ASP 20 3HB ASP 20 0.174 7.309 1.038 180 H ASP 21 H ASP 21 -3.213 8.842 -1.534 181 HA ASP 21 HA ASP 21 -4.392 10.659 0.422 182 HB2 ASP 21 2HB ASP 21 -4.731 10.601 -2.584 183 HB3 ASP 21 3HB ASP 21 -5.246 11.888 -1.498 184 H ASN 22 H ASN 22 -5.442 8.336 -2.057 185 HA ASN 22 HA ASN 22 -8.027 8.152 -0.652 186 HB2 ASN 22 2HB ASN 22 -7.357 8.304 -3.537 187 HB3 ASN 22 3HB ASN 22 -8.637 7.180 -3.092 188 HD21 ASN 22 1HD2 ASN 22 -7.765 10.297 -1.677 189 HD22 ASN 22 2HD2 ASN 22 -9.282 11.062 -1.989 190 H THR 23 H THR 23 -5.788 6.310 -2.721 191 HA THR 23 HA THR 23 -5.157 4.122 -2.711 192 HB THR 23 HB THR 23 -6.225 4.193 0.117 193 HG1 THR 23 HG1 THR 23 -3.519 4.203 -0.750 194 HG21 THR 23 1HG2 THR 23 -5.128 2.016 -1.516 195 HG22 THR 23 2HG2 THR 23 -6.075 1.952 -0.030 196 HG23 THR 23 3HG2 THR 23 -4.335 2.225 0.045 197 H ILE 24 H ILE 24 -7.838 3.571 -0.494 198 HA ILE 24 HA ILE 24 -8.914 1.454 -1.980 199 HB ILE 24 HB ILE 24 -10.257 3.188 0.096 200 HG12 ILE 24 2HG1 ILE 24 -9.798 0.821 1.306 201 HG13 ILE 24 3HG1 ILE 24 -8.437 0.848 0.190 202 HG21 ILE 24 1HG2 ILE 24 -12.082 2.181 -0.830 203 HG22 ILE 24 2HG2 ILE 24 -11.161 0.792 -1.406 204 HG23 ILE 24 3HG2 ILE 24 -11.595 0.916 0.299 205 HD11 ILE 24 1HD1 ILE 24 -7.339 2.257 1.490 206 HD12 ILE 24 2HD1 ILE 24 -8.694 3.387 1.496 207 HD13 ILE 24 3HD1 ILE 24 -8.626 2.084 2.683 208 H ALA 25 H ALA 25 -10.364 4.677 -1.467 209 HA ALA 25 HA ALA 25 -12.412 4.459 -3.317 210 HB1 ALA 25 1HB ALA 25 -11.560 6.396 -1.600 211 HB2 ALA 25 2HB ALA 25 -11.234 7.135 -3.169 212 HB3 ALA 25 3HB ALA 25 -12.863 6.586 -2.775 213 H GLU 26 H GLU 26 -9.047 5.375 -3.802 214 HA GLU 26 HA GLU 26 -9.340 6.236 -6.492 215 HB2 GLU 26 2HB GLU 26 -7.411 6.741 -4.907 216 HB3 GLU 26 3HB GLU 26 -6.821 5.124 -5.263 217 HG2 GLU 26 2HG GLU 26 -7.428 6.628 -7.667 218 HG3 GLU 26 3HG GLU 26 -6.232 7.431 -6.650 219 H LEU 27 H LEU 27 -8.490 3.147 -5.001 220 HA LEU 27 HA LEU 27 -7.870 1.791 -7.405 221 HB2 LEU 27 2HB LEU 27 -8.032 1.186 -4.620 222 HB3 LEU 27 3HB LEU 27 -8.891 -0.057 -5.526 223 HG LEU 27 HG LEU 27 -6.501 -0.581 -5.027 224 HD11 LEU 27 1HD1 LEU 27 -6.234 -1.738 -6.981 225 HD12 LEU 27 2HD1 LEU 27 -6.758 -0.387 -7.985 226 HD13 LEU 27 3HD1 LEU 27 -7.947 -1.332 -7.089 227 HD21 LEU 27 1HD2 LEU 27 -4.743 0.607 -5.916 228 HD22 LEU 27 2HD2 LEU 27 -5.872 1.905 -5.527 229 HD23 LEU 27 3HD2 LEU 27 -5.729 1.327 -7.188 230 H LYS 28 H LYS 28 -10.818 1.839 -5.411 231 HA LYS 28 HA LYS 28 -12.339 0.188 -7.128 232 HB2 LYS 28 2HB LYS 28 -14.272 0.951 -5.849 233 HB3 LYS 28 3HB LYS 28 -12.932 0.570 -4.775 234 HG2 LYS 28 2HG LYS 28 -12.396 3.008 -4.710 235 HG3 LYS 28 3HG LYS 28 -13.888 3.298 -5.607 236 HD2 LYS 28 2HD LYS 28 -13.671 1.959 -2.911 237 HD3 LYS 28 3HD LYS 28 -14.224 3.609 -3.207 238 HE2 LYS 28 2HE LYS 28 -15.871 2.268 -4.854 239 HE3 LYS 28 3HE LYS 28 -15.607 1.031 -3.626 240 HZ1 LYS 28 1HZ LYS 28 -16.732 3.746 -3.256 241 HZ2 LYS 28 2HZ LYS 28 -16.207 2.796 -1.959 242 HZ3 LYS 28 3HZ LYS 28 -17.475 2.259 -2.942 243 H GLY 29 H GLY 29 -11.947 3.694 -6.896 244 HA2 GLY 29 2HA GLY 29 -13.949 4.358 -8.792 245 HA3 GLY 29 3HA GLY 29 -12.631 5.399 -8.277 246 H LYS 30 H LYS 30 -10.555 3.524 -9.095 247 HA LYS 30 HA LYS 30 -10.342 4.350 -11.830 248 HB2 LYS 30 2HB LYS 30 -8.606 2.779 -9.953 249 HB3 LYS 30 3HB LYS 30 -8.229 2.833 -11.670 250 HG2 LYS 30 2HG LYS 30 -8.725 5.424 -10.340 251 HG3 LYS 30 3HG LYS 30 -7.244 4.570 -9.903 252 HD2 LYS 30 2HD LYS 30 -8.051 5.050 -12.761 253 HD3 LYS 30 3HD LYS 30 -7.092 6.211 -11.840 254 HE2 LYS 30 2HE LYS 30 -6.096 3.469 -11.673 255 HE3 LYS 30 3HE LYS 30 -6.098 4.119 -13.312 256 HZ1 LYS 30 1HZ LYS 30 -5.097 5.999 -11.409 257 HZ2 LYS 30 2HZ LYS 30 -4.391 5.437 -12.840 258 HZ3 LYS 30 3HZ LYS 30 -4.199 4.565 -11.403 259 H LEU 31 H LEU 31 -11.018 1.332 -10.153 260 HA LEU 31 HA LEU 31 -10.867 -0.339 -12.444 261 HB2 LEU 31 2HB LEU 31 -10.864 -0.907 -9.894 262 HB3 LEU 31 3HB LEU 31 -12.613 -0.973 -10.105 263 HG LEU 31 HG LEU 31 -11.590 -3.193 -10.217 264 HD11 LEU 31 1HD1 LEU 31 -13.606 -2.419 -11.636 265 HD12 LEU 31 2HD1 LEU 31 -12.837 -3.961 -12.012 266 HD13 LEU 31 3HD1 LEU 31 -12.488 -2.539 -12.995 267 HD21 LEU 31 1HD2 LEU 31 -10.361 -2.727 -12.846 268 HD22 LEU 31 2HD2 LEU 31 -9.825 -3.735 -11.501 269 HD23 LEU 31 3HD2 LEU 31 -9.515 -1.999 -11.480 270 H GLU 32 H GLU 32 -13.555 1.265 -10.777 271 HA GLU 32 HA GLU 32 -15.583 0.222 -12.465 272 HB2 GLU 32 2HB GLU 32 -16.995 2.019 -11.491 273 HB3 GLU 32 3HB GLU 32 -16.157 1.060 -10.278 274 HG2 GLU 32 2HG GLU 32 -15.761 3.123 -9.438 275 HG3 GLU 32 3HG GLU 32 -14.368 2.992 -10.511 276 H GLU 33 H GLU 33 -13.679 3.197 -12.502 277 HA GLU 33 HA GLU 33 -15.070 4.420 -14.649 278 HB2 GLU 33 2HB GLU 33 -13.517 5.534 -12.958 279 HB3 GLU 33 3HB GLU 33 -12.187 4.917 -13.927 280 HG2 GLU 33 2HG GLU 33 -13.201 6.118 -15.888 281 HG3 GLU 33 3HG GLU 33 -14.301 6.887 -14.746 282 H SER 34 H SER 34 -12.319 2.243 -14.463 283 HA SER 34 HA SER 34 -11.443 2.488 -17.127 284 HB2 SER 34 2HB SER 34 -10.164 0.506 -16.736 285 HB3 SER 34 3HB SER 34 -10.197 1.392 -15.211 286 HG SER 34 HG SER 34 -10.741 -1.033 -15.357 287 H GLU 35 H GLU 35 -13.759 0.284 -15.600 288 HA GLU 35 HA GLU 35 -14.329 -1.079 -18.071 289 HB2 GLU 35 2HB GLU 35 -15.443 -1.205 -15.286 290 HB3 GLU 35 3HB GLU 35 -16.270 -2.008 -16.614 291 HG2 GLU 35 2HG GLU 35 -13.365 -2.499 -16.108 292 HG3 GLU 35 3HG GLU 35 -14.602 -3.344 -15.179 293 H GLY 36 H GLY 36 -15.156 1.898 -16.893 294 HA2 GLY 36 2HA GLY 36 -16.534 3.435 -18.022 295 HA3 GLY 36 3HA GLY 36 -17.380 2.091 -18.774 296 H ILE 37 H ILE 37 -18.130 0.599 -16.593 297 HA ILE 37 HA ILE 37 -19.646 2.420 -14.870 298 HB ILE 37 HB ILE 37 -21.651 0.884 -15.158 299 HG12 ILE 37 2HG1 ILE 37 -20.887 0.220 -17.896 300 HG13 ILE 37 3HG1 ILE 37 -19.874 -0.582 -16.700 301 HG21 ILE 37 1HG2 ILE 37 -20.653 2.826 -17.189 302 HG22 ILE 37 2HG2 ILE 37 -22.173 1.980 -17.473 303 HG23 ILE 37 3HG2 ILE 37 -21.978 2.984 -16.036 304 HD11 ILE 37 1HD1 ILE 37 -21.561 -2.106 -16.989 305 HD12 ILE 37 2HD1 ILE 37 -22.151 -1.195 -15.599 306 HD13 ILE 37 3HD1 ILE 37 -22.793 -0.864 -17.208 307 HA PRO 38 HA PRO 38 -18.656 -0.394 -11.648 308 HB2 PRO 38 2HB PRO 38 -20.821 -0.130 -10.031 309 HB3 PRO 38 3HB PRO 38 -19.587 1.125 -10.197 310 HG2 PRO 38 2HG PRO 38 -22.273 0.925 -11.503 311 HG3 PRO 38 3HG PRO 38 -21.481 2.339 -10.783 312 HD2 PRO 38 2HD PRO 38 -21.532 1.901 -13.455 313 HD3 PRO 38 3HD PRO 38 -20.177 2.715 -12.646 314 H GLY 39 H GLY 39 -18.848 -2.530 -11.223 315 HA2 GLY 39 2HA GLY 39 -20.343 -4.236 -12.797 316 HA3 GLY 39 3HA GLY 39 -19.677 -4.673 -11.231 317 H ASN 40 H ASN 40 -21.138 -3.056 -9.541 318 HA ASN 40 HA ASN 40 -23.876 -2.917 -9.925 319 HB2 ASN 40 2HB ASN 40 -22.976 -5.619 -9.612 320 HB3 ASN 40 3HB ASN 40 -23.936 -5.174 -8.204 321 HD21 ASN 40 1HD2 ASN 40 -26.057 -4.198 -8.645 322 HD22 ASN 40 2HD2 ASN 40 -26.950 -4.766 -10.011 323 H MET 41 H MET 41 -22.123 -4.501 -7.260 324 HA MET 41 HA MET 41 -23.019 -2.334 -5.493 325 HB2 MET 41 2HB MET 41 -22.414 -5.221 -5.099 326 HB3 MET 41 3HB MET 41 -22.089 -4.134 -3.755 327 HG2 MET 41 2HG MET 41 -24.512 -3.300 -4.202 328 HG3 MET 41 3HG MET 41 -24.687 -4.847 -5.027 329 HE1 MET 41 1HE MET 41 -24.117 -2.831 -2.123 330 HE2 MET 41 2HE MET 41 -25.269 -3.619 -1.045 331 HE3 MET 41 3HE MET 41 -23.538 -3.895 -0.841 332 H ILE 42 H ILE 42 -20.167 -4.115 -6.539 333 HA ILE 42 HA ILE 42 -17.933 -3.771 -6.219 334 HB ILE 42 HB ILE 42 -18.664 -0.849 -6.105 335 HG12 ILE 42 2HG1 ILE 42 -19.843 -1.847 -7.987 336 HG13 ILE 42 3HG1 ILE 42 -18.498 -0.876 -8.575 337 HG21 ILE 42 1HG2 ILE 42 -16.372 -1.382 -7.670 338 HG22 ILE 42 2HG2 ILE 42 -16.468 -0.539 -6.125 339 HG23 ILE 42 3HG2 ILE 42 -16.203 -2.282 -6.163 340 HD11 ILE 42 1HD1 ILE 42 -17.684 -2.614 -9.666 341 HD12 ILE 42 2HD1 ILE 42 -17.621 -3.562 -8.180 342 HD13 ILE 42 3HD1 ILE 42 -19.088 -3.554 -9.159 343 H ARG 43 H ARG 43 -18.809 -4.602 -3.913 344 HA ARG 43 HA ARG 43 -17.720 -2.728 -1.915 345 HB2 ARG 43 2HB ARG 43 -20.001 -4.676 -1.742 346 HB3 ARG 43 3HB ARG 43 -19.153 -4.152 -0.294 347 HG2 ARG 43 2HG ARG 43 -19.642 -1.760 -1.285 348 HG3 ARG 43 3HG ARG 43 -20.944 -2.626 -2.103 349 HD2 ARG 43 2HD ARG 43 -22.072 -2.147 -0.207 350 HD3 ARG 43 3HD ARG 43 -21.248 -3.588 0.386 351 HE ARG 43 HE ARG 43 -19.536 -1.519 0.922 352 HH11 ARG 43 1HH1 ARG 43 -22.834 -2.294 1.724 353 HH12 ARG 43 2HH1 ARG 43 -22.797 -1.462 3.243 354 HH21 ARG 43 1HH2 ARG 43 -19.475 -0.420 2.920 355 HH22 ARG 43 2HH2 ARG 43 -20.887 -0.395 3.922 356 H LEU 44 H LEU 44 -15.787 -3.351 -1.234 357 HA LEU 44 HA LEU 44 -15.143 -6.218 -1.205 358 HB2 LEU 44 2HB LEU 44 -12.796 -5.508 -1.162 359 HB3 LEU 44 3HB LEU 44 -13.660 -4.903 -2.574 360 HG LEU 44 HG LEU 44 -13.754 -2.938 -0.493 361 HD11 LEU 44 1HD1 LEU 44 -11.664 -4.231 0.193 362 HD12 LEU 44 2HD1 LEU 44 -11.499 -2.493 -0.054 363 HD13 LEU 44 3HD1 LEU 44 -10.942 -3.617 -1.294 364 HD21 LEU 44 1HD2 LEU 44 -13.389 -1.560 -2.231 365 HD22 LEU 44 2HD2 LEU 44 -13.678 -3.004 -3.202 366 HD23 LEU 44 3HD2 LEU 44 -12.027 -2.507 -2.830 367 H VAL 45 H VAL 45 -13.911 -7.065 0.584 368 HA VAL 45 HA VAL 45 -14.450 -5.627 3.100 369 HB VAL 45 HB VAL 45 -15.752 -7.687 2.919 370 HG11 VAL 45 1HG1 VAL 45 -13.503 -9.526 3.161 371 HG12 VAL 45 2HG1 VAL 45 -14.954 -9.634 2.162 372 HG13 VAL 45 3HG1 VAL 45 -13.564 -8.701 1.604 373 HG21 VAL 45 1HG2 VAL 45 -14.152 -8.819 4.921 374 HG22 VAL 45 2HG2 VAL 45 -13.869 -7.080 5.003 375 HG23 VAL 45 3HG2 VAL 45 -15.510 -7.713 5.129 376 H TYR 46 H TYR 46 -12.754 -5.054 4.288 377 HA TYR 46 HA TYR 46 -10.137 -6.226 3.633 378 HB2 TYR 46 2HB TYR 46 -10.845 -3.598 3.640 379 HB3 TYR 46 3HB TYR 46 -10.213 -3.775 5.273 380 HD1 TYR 46 HD1 TYR 46 -9.275 -2.561 2.306 381 HD2 TYR 46 HD2 TYR 46 -7.981 -5.542 5.052 382 HE1 TYR 46 HE1 TYR 46 -6.984 -2.359 1.435 383 HE2 TYR 46 HE2 TYR 46 -5.686 -5.348 4.189 384 HH TYR 46 HH TYR 46 -4.518 -2.919 2.597 385 H GLN 47 H GLN 47 -9.446 -7.698 5.024 386 HA GLN 47 HA GLN 47 -9.080 -8.869 6.941 387 HB2 GLN 47 2HB GLN 47 -8.298 -6.279 7.409 388 HB3 GLN 47 3HB GLN 47 -9.386 -6.586 8.756 389 HG2 GLN 47 2HG GLN 47 -7.591 -7.440 9.759 390 HG3 GLN 47 3HG GLN 47 -7.876 -8.850 8.741 391 HE21 GLN 47 1HE2 GLN 47 -6.929 -8.472 6.425 392 HE22 GLN 47 2HE2 GLN 47 -5.288 -7.934 6.405 393 H GLY 48 H GLY 48 -11.799 -8.641 6.050 394 HA2 GLY 48 2HA GLY 48 -13.805 -9.483 6.842 395 HA3 GLY 48 3HA GLY 48 -13.106 -9.536 8.453 396 H LYS 49 H LYS 49 -12.646 -6.506 7.124 397 HA LYS 49 HA LYS 49 -15.029 -5.474 8.517 398 HB2 LYS 49 2HB LYS 49 -12.259 -4.836 8.804 399 HB3 LYS 49 3HB LYS 49 -13.093 -3.420 8.178 400 HG2 LYS 49 2HG LYS 49 -13.010 -3.382 10.602 401 HG3 LYS 49 3HG LYS 49 -14.675 -3.523 10.033 402 HD2 LYS 49 2HD LYS 49 -14.300 -5.017 11.909 403 HD3 LYS 49 3HD LYS 49 -14.587 -5.949 10.439 404 HE2 LYS 49 2HE LYS 49 -12.272 -6.448 10.209 405 HE3 LYS 49 3HE LYS 49 -11.834 -5.292 11.466 406 HZ1 LYS 49 1HZ LYS 49 -11.756 -7.535 12.315 407 HZ2 LYS 49 2HZ LYS 49 -13.362 -7.808 11.861 408 HZ3 LYS 49 3HZ LYS 49 -13.007 -6.686 13.076 409 H GLN 50 H GLN 50 -15.845 -3.378 7.689 410 HA GLN 50 HA GLN 50 -15.540 -3.212 4.763 411 HB2 GLN 50 2HB GLN 50 -18.003 -2.693 6.437 412 HB3 GLN 50 3HB GLN 50 -17.889 -2.412 4.704 413 HG2 GLN 50 2HG GLN 50 -18.538 -4.493 4.360 414 HG3 GLN 50 3HG GLN 50 -17.054 -5.057 5.127 415 HE21 GLN 50 1HE2 GLN 50 -20.003 -3.500 6.341 416 HE22 GLN 50 2HE2 GLN 50 -20.355 -4.705 7.529 417 H LEU 51 H LEU 51 -16.273 -1.012 3.908 418 HA LEU 51 HA LEU 51 -15.874 1.220 3.737 419 HB2 LEU 51 2HB LEU 51 -16.041 1.464 6.711 420 HB3 LEU 51 3HB LEU 51 -16.592 2.586 5.468 421 HG LEU 51 HG LEU 51 -18.157 0.329 5.079 422 HD11 LEU 51 1HD1 LEU 51 -17.468 0.674 7.954 423 HD12 LEU 51 2HD1 LEU 51 -17.793 -0.797 7.038 424 HD13 LEU 51 3HD1 LEU 51 -19.124 0.255 7.518 425 HD21 LEU 51 1HD2 LEU 51 -18.713 2.880 6.587 426 HD22 LEU 51 2HD2 LEU 51 -19.949 1.754 6.026 427 HD23 LEU 51 3HD2 LEU 51 -18.930 2.598 4.859 428 H GLU 52 H GLU 52 -13.750 1.156 3.065 429 HA GLU 52 HA GLU 52 -11.730 1.560 5.173 430 HB2 GLU 52 2HB GLU 52 -11.386 0.286 2.453 431 HB3 GLU 52 3HB GLU 52 -10.078 0.619 3.579 432 HG2 GLU 52 2HG GLU 52 -12.287 -1.383 3.808 433 HG3 GLU 52 3HG GLU 52 -10.545 -1.637 3.886 434 H ASP 53 H ASP 53 -13.449 3.097 2.843 435 HA ASP 53 HA ASP 53 -11.646 4.601 1.370 436 HB2 ASP 53 2HB ASP 53 -14.232 4.519 1.260 437 HB3 ASP 53 3HB ASP 53 -14.175 5.806 2.462 438 H GLU 54 H GLU 54 -12.858 5.132 4.645 439 HA GLU 54 HA GLU 54 -11.656 7.669 5.015 440 HB2 GLU 54 2HB GLU 54 -13.351 5.998 6.481 441 HB3 GLU 54 3HB GLU 54 -11.908 6.154 7.472 442 HG2 GLU 54 2HG GLU 54 -12.350 8.276 7.996 443 HG3 GLU 54 3HG GLU 54 -12.839 8.682 6.352 444 H LYS 55 H LYS 55 -10.412 4.479 5.025 445 HA LYS 55 HA LYS 55 -7.993 5.291 6.468 446 HB2 LYS 55 2HB LYS 55 -9.122 2.620 5.667 447 HB3 LYS 55 3HB LYS 55 -7.446 2.788 6.171 448 HG2 LYS 55 2HG LYS 55 -8.493 2.188 8.131 449 HG3 LYS 55 3HG LYS 55 -8.447 3.948 8.259 450 HD2 LYS 55 2HD LYS 55 -10.672 4.071 8.316 451 HD3 LYS 55 3HD LYS 55 -10.823 3.066 6.872 452 HE2 LYS 55 2HE LYS 55 -11.943 1.882 8.564 453 HE3 LYS 55 3HE LYS 55 -10.381 1.081 8.401 454 HZ1 LYS 55 1HZ LYS 55 -9.915 1.527 10.506 455 HZ2 LYS 55 2HZ LYS 55 -11.490 2.109 10.706 456 HZ3 LYS 55 3HZ LYS 55 -10.239 3.176 10.307 457 H ARG 56 H ARG 56 -8.463 6.399 3.898 458 HA ARG 56 HA ARG 56 -7.335 5.157 1.728 459 HB2 ARG 56 2HB ARG 56 -6.492 7.577 1.177 460 HB3 ARG 56 3HB ARG 56 -8.215 7.229 1.223 461 HG2 ARG 56 2HG ARG 56 -7.342 7.975 3.836 462 HG3 ARG 56 3HG ARG 56 -6.795 9.179 2.667 463 HD2 ARG 56 2HD ARG 56 -9.526 8.333 2.176 464 HD3 ARG 56 3HD ARG 56 -9.318 8.995 3.797 465 HE ARG 56 HE ARG 56 -8.064 10.722 2.004 466 HH11 ARG 56 1HH1 ARG 56 -11.270 9.593 2.758 467 HH12 ARG 56 2HH1 ARG 56 -12.047 11.050 2.233 468 HH21 ARG 56 1HH2 ARG 56 -9.076 12.645 1.310 469 HH22 ARG 56 2HH2 ARG 56 -10.798 12.785 1.409 470 H LEU 57 H LEU 57 -5.512 7.452 3.763 471 HA LEU 57 HA LEU 57 -2.995 6.540 2.811 472 HB2 LEU 57 2HB LEU 57 -3.703 8.809 3.889 473 HB3 LEU 57 3HB LEU 57 -3.311 7.993 5.402 474 HG LEU 57 HG LEU 57 -1.299 8.073 3.190 475 HD11 LEU 57 1HD1 LEU 57 -1.751 10.353 3.277 476 HD12 LEU 57 2HD1 LEU 57 -0.424 10.153 4.421 477 HD13 LEU 57 3HD1 LEU 57 -2.077 10.322 5.010 478 HD21 LEU 57 1HD2 LEU 57 0.052 7.227 4.740 479 HD22 LEU 57 2HD2 LEU 57 -1.374 7.006 5.756 480 HD23 LEU 57 3HD2 LEU 57 -0.400 8.469 5.908 481 H LYS 58 H LYS 58 -4.957 5.809 5.630 482 HA LYS 58 HA LYS 58 -3.059 4.444 7.163 483 HB2 LYS 58 2HB LYS 58 -5.887 4.858 7.205 484 HB3 LYS 58 3HB LYS 58 -5.571 3.149 7.474 485 HG2 LYS 58 2HG LYS 58 -3.771 4.745 9.039 486 HG3 LYS 58 3HG LYS 58 -5.442 5.227 9.338 487 HD2 LYS 58 2HD LYS 58 -6.031 3.157 10.165 488 HD3 LYS 58 3HD LYS 58 -4.747 2.324 9.285 489 HE2 LYS 58 2HE LYS 58 -3.299 2.569 10.970 490 HE3 LYS 58 3HE LYS 58 -3.726 4.264 11.198 491 HZ1 LYS 58 1HZ LYS 58 -4.223 2.522 13.045 492 HZ2 LYS 58 2HZ LYS 58 -5.594 2.191 12.111 493 HZ3 LYS 58 3HZ LYS 58 -5.340 3.750 12.716 494 H ASP 59 H ASP 59 -4.766 3.509 4.298 495 HA ASP 59 HA ASP 59 -4.215 0.690 4.602 496 HB2 ASP 59 2HB ASP 59 -5.638 2.399 2.639 497 HB3 ASP 59 3HB ASP 59 -4.946 0.902 2.019 498 H TYR 60 H TYR 60 -2.613 3.443 3.344 499 HA TYR 60 HA TYR 60 -0.932 2.017 1.494 500 HB2 TYR 60 2HB TYR 60 -1.490 4.383 1.131 501 HB3 TYR 60 3HB TYR 60 -0.666 4.811 2.626 502 HD1 TYR 60 HD1 TYR 60 1.412 5.755 2.354 503 HD2 TYR 60 HD2 TYR 60 0.115 2.842 -0.462 504 HE1 TYR 60 HE1 TYR 60 3.523 6.017 1.120 505 HE2 TYR 60 HE2 TYR 60 2.223 3.095 -1.704 506 HH TYR 60 HH TYR 60 4.781 5.272 -0.557 507 H GLN 61 H GLN 61 -0.928 2.642 4.858 508 HA GLN 61 HA GLN 61 1.920 2.372 5.214 509 HB2 GLN 61 2HB GLN 61 0.586 3.741 6.755 510 HB3 GLN 61 3HB GLN 61 -0.325 2.317 7.238 511 HG2 GLN 61 2HG GLN 61 2.463 1.802 7.564 512 HG3 GLN 61 3HG GLN 61 2.051 3.324 8.352 513 HE21 GLN 61 1HE2 GLN 61 0.055 0.451 7.908 514 HE22 GLN 61 2HE2 GLN 61 -0.157 0.118 9.590 515 H MET 62 H MET 62 -0.652 0.250 4.716 516 HA MET 62 HA MET 62 0.387 -1.944 6.273 517 HB2 MET 62 2HB MET 62 -1.640 -2.201 4.068 518 HB3 MET 62 3HB MET 62 -1.464 -3.180 5.519 519 HG2 MET 62 2HG MET 62 -2.340 -0.301 5.480 520 HG3 MET 62 3HG MET 62 -3.422 -1.689 5.574 521 HE1 MET 62 1HE MET 62 -4.419 -2.257 7.244 522 HE2 MET 62 2HE MET 62 -3.741 -2.790 8.782 523 HE3 MET 62 3HE MET 62 -4.403 -1.162 8.628 524 H SER 63 H SER 63 -0.063 -1.387 2.775 525 HA SER 63 HA SER 63 0.988 -2.263 0.953 526 HB2 SER 63 2HB SER 63 3.447 -2.416 2.697 527 HB3 SER 63 3HB SER 63 3.366 -2.156 0.955 528 HG SER 63 HG SER 63 2.347 -0.362 2.904 529 H ALA 64 H ALA 64 -0.320 -4.131 2.704 530 HA ALA 64 HA ALA 64 0.523 -6.550 1.580 531 HB1 ALA 64 1HB ALA 64 1.627 -5.950 4.295 532 HB2 ALA 64 2HB ALA 64 1.256 -7.610 3.828 533 HB3 ALA 64 3HB ALA 64 2.424 -6.672 2.897 534 H GLY 65 H GLY 65 -1.915 -5.313 1.859 535 HA2 GLY 65 2HA GLY 65 -3.302 -7.055 3.804 536 HA3 GLY 65 3HA GLY 65 -3.856 -5.438 3.393 537 H ALA 66 H ALA 66 -4.299 -8.675 2.813 538 HA ALA 66 HA ALA 66 -4.896 -8.766 0.069 539 HB1 ALA 66 1HB ALA 66 -5.655 -10.885 0.445 540 HB2 ALA 66 2HB ALA 66 -4.696 -10.651 1.907 541 HB3 ALA 66 3HB ALA 66 -6.447 -10.453 1.961 542 H THR 67 H THR 67 -6.659 -8.236 -1.098 543 HA THR 67 HA THR 67 -8.991 -7.172 0.359 544 HB THR 67 HB THR 67 -8.934 -5.973 -2.195 545 HG1 THR 67 HG1 THR 67 -6.456 -5.615 -0.834 546 HG21 THR 67 1HG2 THR 67 -8.104 -4.676 0.394 547 HG22 THR 67 2HG2 THR 67 -9.776 -5.109 0.039 548 HG23 THR 67 3HG2 THR 67 -8.932 -3.941 -0.978 549 H PHE 68 H PHE 68 -10.997 -7.734 -0.366 550 HA PHE 68 HA PHE 68 -11.143 -9.436 -2.761 551 HB2 PHE 68 2HB PHE 68 -11.233 -10.959 -0.917 552 HB3 PHE 68 3HB PHE 68 -12.384 -9.943 -0.055 553 HD1 PHE 68 HD1 PHE 68 -11.938 -12.439 -2.660 554 HD2 PHE 68 HD2 PHE 68 -14.724 -9.852 -0.747 555 HE1 PHE 68 HE1 PHE 68 -13.796 -13.709 -3.655 556 HE2 PHE 68 HE2 PHE 68 -16.586 -11.118 -1.738 557 HZ PHE 68 HZ PHE 68 -16.123 -13.050 -3.194 558 H HIS 69 H HIS 69 -12.366 -8.425 -4.201 559 HA HIS 69 HA HIS 69 -14.428 -6.564 -3.336 560 HB2 HIS 69 2HB HIS 69 -13.362 -7.248 -6.082 561 HB3 HIS 69 3HB HIS 69 -14.608 -6.042 -5.773 562 HD1 HIS 69 HD1 HIS 69 -13.521 -3.850 -6.140 563 HD2 HIS 69 HD2 HIS 69 -11.097 -6.438 -3.974 564 HE1 HIS 69 HE1 HIS 69 -11.497 -2.501 -5.502 565 H MET 70 H MET 70 -16.606 -6.768 -3.768 566 HA MET 70 HA MET 70 -17.488 -9.346 -4.882 567 HB2 MET 70 2HB MET 70 -17.713 -9.445 -2.460 568 HB3 MET 70 3HB MET 70 -18.606 -7.930 -2.456 569 HG2 MET 70 2HG MET 70 -20.511 -9.001 -2.769 570 HG3 MET 70 3HG MET 70 -19.882 -9.772 -4.223 571 HE1 MET 70 1HE MET 70 -18.878 -10.965 -0.089 572 HE2 MET 70 2HE MET 70 -19.851 -9.576 -0.573 573 HE3 MET 70 3HE MET 70 -20.637 -11.095 -0.139 574 H VAL 71 H VAL 71 -19.018 -9.219 -6.408 575 HA VAL 71 HA VAL 71 -20.454 -6.663 -6.721 576 HB VAL 71 HB VAL 71 -19.576 -8.441 -8.996 577 HG11 VAL 71 1HG1 VAL 71 -20.222 -6.594 -10.409 578 HG12 VAL 71 2HG1 VAL 71 -21.581 -7.042 -9.376 579 HG13 VAL 71 3HG1 VAL 71 -20.619 -5.611 -9.000 580 HG21 VAL 71 1HG2 VAL 71 -17.902 -6.685 -9.478 581 HG22 VAL 71 2HG2 VAL 71 -18.317 -5.906 -7.951 582 HG23 VAL 71 3HG2 VAL 71 -17.602 -7.518 -7.952 583 H VAL 72 H VAL 72 -22.517 -7.005 -6.228 584 HA VAL 72 HA VAL 72 -23.736 -9.608 -6.710 585 HB VAL 72 HB VAL 72 -25.211 -7.277 -5.541 586 HG11 VAL 72 1HG1 VAL 72 -25.888 -9.885 -6.048 587 HG12 VAL 72 2HG1 VAL 72 -25.456 -9.924 -4.337 588 HG13 VAL 72 3HG1 VAL 72 -26.705 -8.816 -4.908 589 HG21 VAL 72 1HG2 VAL 72 -23.118 -7.257 -4.346 590 HG22 VAL 72 2HG2 VAL 72 -24.368 -7.939 -3.305 591 HG23 VAL 72 3HG2 VAL 72 -23.202 -9.001 -4.095 592 H ALA 73 H ALA 73 -24.363 -9.887 -8.767 593 HA ALA 73 HA ALA 73 -26.031 -7.780 -9.980 594 HB1 ALA 73 1HB ALA 73 -24.587 -9.648 -11.767 595 HB2 ALA 73 2HB ALA 73 -24.976 -7.941 -11.982 596 HB3 ALA 73 3HB ALA 73 -23.629 -8.414 -10.948 597 H LEU 74 H LEU 74 -28.040 -8.564 -9.608 598 HA LEU 74 HA LEU 74 -28.598 -11.341 -10.408 599 HB2 LEU 74 2HB LEU 74 -29.983 -9.493 -8.483 600 HB3 LEU 74 3HB LEU 74 -30.720 -10.985 -9.064 601 HG LEU 74 HG LEU 74 -28.187 -11.706 -8.091 602 HD11 LEU 74 1HD1 LEU 74 -28.662 -10.898 -5.654 603 HD12 LEU 74 2HD1 LEU 74 -29.495 -9.574 -6.468 604 HD13 LEU 74 3HD1 LEU 74 -27.784 -9.863 -6.780 605 HD21 LEU 74 1HD2 LEU 74 -30.363 -12.956 -8.065 606 HD22 LEU 74 2HD2 LEU 74 -30.832 -11.974 -6.677 607 HD23 LEU 74 3HD2 LEU 74 -29.432 -13.043 -6.570 608 H ARG 75 H ARG 75 -29.390 -8.002 -10.951 609 HA ARG 75 HA ARG 75 -31.742 -8.520 -12.514 610 HB2 ARG 75 2HB ARG 75 -30.226 -6.171 -11.624 611 HB3 ARG 75 3HB ARG 75 -30.925 -5.999 -13.228 612 HG2 ARG 75 2HG ARG 75 -32.989 -5.772 -12.423 613 HG3 ARG 75 3HG ARG 75 -32.789 -7.111 -11.290 614 HD2 ARG 75 2HD ARG 75 -31.308 -5.437 -9.972 615 HD3 ARG 75 3HD ARG 75 -32.135 -4.213 -10.934 616 HE ARG 75 HE ARG 75 -34.079 -5.873 -9.832 617 HH11 ARG 75 1HH1 ARG 75 -31.658 -3.611 -8.764 618 HH12 ARG 75 2HH1 ARG 75 -32.536 -3.142 -7.346 619 HH21 ARG 75 1HH2 ARG 75 -35.244 -5.264 -7.969 620 HH22 ARG 75 2HH2 ARG 75 -34.575 -4.083 -6.894 621 H ALA 76 H ALA 76 -28.497 -7.285 -13.339 622 HA ALA 76 HA ALA 76 -28.431 -8.864 -15.746 623 HB1 ALA 76 1HB ALA 76 -28.483 -5.861 -16.017 624 HB2 ALA 76 2HB ALA 76 -28.286 -7.036 -17.318 625 HB3 ALA 76 3HB ALA 76 -29.812 -6.940 -16.440 626 H GLY 77 H GLY 77 -26.371 -8.630 -16.910 627 HA2 GLY 77 2HA GLY 77 -24.221 -7.073 -16.082 628 HA3 GLY 77 3HA GLY 77 -24.185 -8.534 -15.105 629 H CYS 78 H CYS 78 -24.900 -7.871 -18.535 630 HA CYS 78 HA CYS 78 -23.334 -10.192 -19.298 631 HB2 CYS 78 2HB CYS 78 -25.624 -9.229 -20.303 632 HB3 CYS 78 3HB CYS 78 -24.493 -8.387 -21.355 633 HG CYS 78 HG CYS 78 -24.962 -11.752 -21.058 Start of MODEL 11 1 H MET 1 H MET 1 1.744 0.166 0.758 2 HA MET 1 HA MET 1 1.880 1.016 -1.818 3 HB2 MET 1 2HB MET 1 3.752 0.357 -0.096 4 HB3 MET 1 3HB MET 1 3.749 -1.165 -0.977 5 HG2 MET 1 2HG MET 1 4.475 -0.168 -2.948 6 HG3 MET 1 3HG MET 1 4.005 1.444 -2.415 7 HE1 MET 1 1HE MET 1 6.789 -1.016 -2.896 8 HE2 MET 1 2HE MET 1 7.903 -0.769 -1.552 9 HE3 MET 1 3HE MET 1 6.353 -1.566 -1.278 10 H LEU 2 H LEU 2 2.207 -2.443 -0.998 11 HA LEU 2 HA LEU 2 1.101 -3.081 -3.647 12 HB2 LEU 2 2HB LEU 2 3.315 -3.957 -3.304 13 HB3 LEU 2 3HB LEU 2 2.831 -4.689 -1.776 14 HG LEU 2 HG LEU 2 1.385 -5.574 -4.207 15 HD11 LEU 2 1HD1 LEU 2 3.210 -6.129 -5.344 16 HD12 LEU 2 2HD1 LEU 2 3.586 -7.270 -4.054 17 HD13 LEU 2 3HD1 LEU 2 4.263 -5.642 -4.015 18 HD21 LEU 2 1HD2 LEU 2 1.442 -6.337 -1.588 19 HD22 LEU 2 2HD2 LEU 2 2.538 -7.503 -2.331 20 HD23 LEU 2 3HD2 LEU 2 0.885 -7.342 -2.927 21 H LEU 3 H LEU 3 -0.831 -4.014 -3.799 22 HA LEU 3 HA LEU 3 -1.892 -5.515 -1.520 23 HB2 LEU 3 2HB LEU 3 -3.883 -4.341 -1.387 24 HB3 LEU 3 3HB LEU 3 -2.676 -3.072 -1.585 25 HG LEU 3 HG LEU 3 -4.411 -4.150 -3.806 26 HD11 LEU 3 1HD1 LEU 3 -6.010 -2.999 -2.715 27 HD12 LEU 3 2HD1 LEU 3 -5.216 -1.607 -3.449 28 HD13 LEU 3 3HD1 LEU 3 -4.849 -2.054 -1.783 29 HD21 LEU 3 1HD2 LEU 3 -2.391 -3.268 -4.699 30 HD22 LEU 3 2HD2 LEU 3 -2.455 -1.866 -3.630 31 HD23 LEU 3 3HD2 LEU 3 -3.637 -2.041 -4.928 32 H LYS 4 H LYS 4 -3.414 -7.100 -2.051 33 HA LYS 4 HA LYS 4 -3.578 -7.710 -4.929 34 HB2 LYS 4 2HB LYS 4 -2.291 -9.370 -3.695 35 HB3 LYS 4 3HB LYS 4 -3.612 -9.581 -2.553 36 HG2 LYS 4 2HG LYS 4 -4.893 -10.773 -4.044 37 HG3 LYS 4 3HG LYS 4 -4.097 -10.069 -5.454 38 HD2 LYS 4 2HD LYS 4 -3.464 -12.408 -5.172 39 HD3 LYS 4 3HD LYS 4 -2.071 -11.348 -4.945 40 HE2 LYS 4 2HE LYS 4 -2.206 -13.174 -3.273 41 HE3 LYS 4 3HE LYS 4 -2.231 -11.564 -2.556 42 HZ1 LYS 4 1HZ LYS 4 -4.359 -11.800 -1.868 43 HZ2 LYS 4 2HZ LYS 4 -3.943 -13.440 -1.874 44 HZ3 LYS 4 3HZ LYS 4 -4.809 -12.783 -3.170 45 H VAL 5 H VAL 5 -5.513 -7.248 -5.730 46 HA VAL 5 HA VAL 5 -7.878 -7.514 -4.010 47 HB VAL 5 HB VAL 5 -9.052 -6.159 -5.698 48 HG11 VAL 5 1HG1 VAL 5 -7.775 -4.039 -5.319 49 HG12 VAL 5 2HG1 VAL 5 -8.089 -4.980 -3.859 50 HG13 VAL 5 3HG1 VAL 5 -6.490 -5.012 -4.603 51 HG21 VAL 5 1HG2 VAL 5 -7.007 -5.023 -7.196 52 HG22 VAL 5 2HG2 VAL 5 -6.676 -6.755 -7.239 53 HG23 VAL 5 3HG2 VAL 5 -8.241 -6.143 -7.774 54 H LYS 6 H LYS 6 -9.305 -9.093 -4.328 55 HA LYS 6 HA LYS 6 -9.274 -10.518 -6.906 56 HB2 LYS 6 2HB LYS 6 -9.909 -12.571 -5.509 57 HB3 LYS 6 3HB LYS 6 -8.233 -12.039 -5.453 58 HG2 LYS 6 2HG LYS 6 -8.609 -10.966 -3.318 59 HG3 LYS 6 3HG LYS 6 -10.322 -11.388 -3.383 60 HD2 LYS 6 2HD LYS 6 -8.040 -13.363 -3.329 61 HD3 LYS 6 3HD LYS 6 -9.030 -12.912 -1.939 62 HE2 LYS 6 2HE LYS 6 -10.803 -13.629 -4.011 63 HE3 LYS 6 3HE LYS 6 -9.543 -14.862 -3.971 64 HZ1 LYS 6 1HZ LYS 6 -11.588 -15.145 -2.475 65 HZ2 LYS 6 2HZ LYS 6 -10.862 -13.982 -1.484 66 HZ3 LYS 6 3HZ LYS 6 -10.062 -15.437 -1.805 67 H THR 7 H THR 7 -11.167 -10.463 -7.905 68 HA THR 7 HA THR 7 -13.543 -9.627 -6.450 69 HB THR 7 HB THR 7 -14.586 -9.290 -8.578 70 HG1 THR 7 HG1 THR 7 -13.584 -9.991 -10.504 71 HG21 THR 7 1HG2 THR 7 -12.080 -8.314 -9.590 72 HG22 THR 7 2HG2 THR 7 -12.171 -8.049 -7.849 73 HG23 THR 7 3HG2 THR 7 -13.431 -7.413 -8.906 74 H VAL 8 H VAL 8 -15.653 -10.722 -7.145 75 HA VAL 8 HA VAL 8 -15.538 -13.445 -6.348 76 HB VAL 8 HB VAL 8 -17.468 -11.920 -5.901 77 HG11 VAL 8 1HG1 VAL 8 -17.381 -11.217 -8.458 78 HG12 VAL 8 2HG1 VAL 8 -18.571 -12.512 -8.592 79 HG13 VAL 8 3HG1 VAL 8 -18.871 -11.145 -7.519 80 HG21 VAL 8 1HG2 VAL 8 -18.953 -13.657 -5.771 81 HG22 VAL 8 2HG2 VAL 8 -18.570 -14.252 -7.387 82 HG23 VAL 8 3HG2 VAL 8 -17.460 -14.554 -6.050 83 H SER 9 H SER 9 -15.018 -11.973 -9.318 84 HA SER 9 HA SER 9 -16.035 -14.162 -10.932 85 HB2 SER 9 2HB SER 9 -15.039 -11.439 -11.423 86 HB3 SER 9 3HB SER 9 -14.547 -12.617 -12.640 87 HG SER 9 HG SER 9 -17.030 -11.569 -12.102 88 H ASN 10 H ASN 10 -13.630 -14.170 -8.935 89 HA ASN 10 HA ASN 10 -11.727 -15.401 -8.725 90 HB2 ASN 10 2HB ASN 10 -13.208 -16.786 -10.597 91 HB3 ASN 10 3HB ASN 10 -11.669 -16.545 -11.419 92 HD21 ASN 10 1HD2 ASN 10 -13.365 -18.335 -9.115 93 HD22 ASN 10 2HD2 ASN 10 -12.044 -19.267 -8.507 94 H LYS 11 H LYS 11 -11.740 -12.715 -9.855 95 HA LYS 11 HA LYS 11 -9.353 -12.821 -11.572 96 HB2 LYS 11 2HB LYS 11 -11.389 -10.627 -11.158 97 HB3 LYS 11 3HB LYS 11 -9.922 -10.439 -12.109 98 HG2 LYS 11 2HG LYS 11 -10.697 -12.276 -13.579 99 HG3 LYS 11 3HG LYS 11 -12.207 -12.318 -12.667 100 HD2 LYS 11 2HD LYS 11 -12.722 -10.972 -14.495 101 HD3 LYS 11 3HD LYS 11 -12.356 -9.804 -13.223 102 HE2 LYS 11 2HE LYS 11 -11.193 -8.987 -15.068 103 HE3 LYS 11 3HE LYS 11 -9.960 -9.856 -14.154 104 HZ1 LYS 11 1HZ LYS 11 -9.545 -10.898 -16.060 105 HZ2 LYS 11 2HZ LYS 11 -10.978 -10.368 -16.784 106 HZ3 LYS 11 3HZ LYS 11 -10.985 -11.750 -15.809 107 H VAL 12 H VAL 12 -7.606 -12.806 -10.284 108 HA VAL 12 HA VAL 12 -7.530 -10.900 -8.044 109 HB VAL 12 HB VAL 12 -5.640 -13.200 -8.544 110 HG11 VAL 12 1HG1 VAL 12 -6.034 -11.236 -6.323 111 HG12 VAL 12 2HG1 VAL 12 -5.360 -12.833 -5.991 112 HG13 VAL 12 3HG1 VAL 12 -4.543 -11.746 -7.115 113 HG21 VAL 12 1HG2 VAL 12 -7.158 -13.871 -6.354 114 HG22 VAL 12 2HG2 VAL 12 -8.344 -13.162 -7.450 115 HG23 VAL 12 3HG2 VAL 12 -7.355 -14.523 -7.981 116 H ILE 13 H ILE 13 -6.323 -9.134 -8.216 117 HA ILE 13 HA ILE 13 -4.122 -9.117 -10.175 118 HB ILE 13 HB ILE 13 -6.003 -6.837 -9.552 119 HG12 ILE 13 2HG1 ILE 13 -7.035 -8.501 -10.997 120 HG13 ILE 13 3HG1 ILE 13 -6.645 -7.063 -11.935 121 HG21 ILE 13 1HG2 ILE 13 -3.419 -6.993 -11.017 122 HG22 ILE 13 2HG2 ILE 13 -4.671 -5.914 -11.629 123 HG23 ILE 13 3HG2 ILE 13 -4.060 -5.712 -9.988 124 HD11 ILE 13 1HD1 ILE 13 -4.415 -8.755 -12.118 125 HD12 ILE 13 2HD1 ILE 13 -5.840 -9.767 -12.354 126 HD13 ILE 13 3HD1 ILE 13 -5.583 -8.353 -13.376 127 H GLN 14 H GLN 14 -2.239 -8.906 -9.179 128 HA GLN 14 HA GLN 14 -2.136 -7.464 -6.621 129 HB2 GLN 14 2HB GLN 14 -1.346 -9.724 -6.423 130 HB3 GLN 14 3HB GLN 14 -0.295 -9.534 -7.821 131 HG2 GLN 14 2HG GLN 14 0.364 -7.533 -5.909 132 HG3 GLN 14 3HG GLN 14 0.303 -9.097 -5.099 133 HE21 GLN 14 1HE2 GLN 14 1.244 -8.253 -8.402 134 HE22 GLN 14 2HE2 GLN 14 2.851 -8.876 -8.291 135 H ILE 15 H ILE 15 -1.437 -5.444 -6.732 136 HA ILE 15 HA ILE 15 0.631 -4.781 -8.727 137 HB ILE 15 HB ILE 15 -0.279 -2.473 -8.741 138 HG12 ILE 15 2HG1 ILE 15 -1.486 -2.971 -6.453 139 HG13 ILE 15 3HG1 ILE 15 -2.186 -1.837 -7.603 140 HG21 ILE 15 1HG2 ILE 15 -2.477 -3.146 -9.933 141 HG22 ILE 15 2HG2 ILE 15 -0.938 -3.701 -10.590 142 HG23 ILE 15 3HG2 ILE 15 -1.935 -4.797 -9.634 143 HD11 ILE 15 1HD1 ILE 15 -2.991 -4.683 -7.793 144 HD12 ILE 15 2HD1 ILE 15 -3.621 -3.721 -6.456 145 HD13 ILE 15 3HD1 ILE 15 -3.914 -3.217 -8.120 146 H THR 16 H THR 16 2.188 -3.203 -8.127 147 HA THR 16 HA THR 16 2.480 -2.877 -5.211 148 HB THR 16 HB THR 16 4.200 -4.364 -6.004 149 HG1 THR 16 HG1 THR 16 5.519 -3.301 -4.749 150 HG21 THR 16 1HG2 THR 16 5.841 -2.875 -7.674 151 HG22 THR 16 2HG2 THR 16 4.214 -2.566 -8.282 152 HG23 THR 16 3HG2 THR 16 4.807 -4.221 -8.150 153 H SER 17 H SER 17 1.043 -0.942 -6.115 154 HA SER 17 HA SER 17 2.634 1.389 -5.823 155 HB2 SER 17 2HB SER 17 3.256 1.255 -8.082 156 HB3 SER 17 3HB SER 17 1.669 0.668 -8.580 157 HG SER 17 HG SER 17 1.984 3.234 -7.453 158 H LEU 18 H LEU 18 1.049 1.541 -4.141 159 HA LEU 18 HA LEU 18 -1.641 2.298 -5.058 160 HB2 LEU 18 2HB LEU 18 -0.749 0.644 -2.957 161 HB3 LEU 18 3HB LEU 18 -1.440 2.083 -2.210 162 HG LEU 18 HG LEU 18 -2.827 0.171 -4.087 163 HD11 LEU 18 1HD1 LEU 18 -3.027 0.731 -1.144 164 HD12 LEU 18 2HD1 LEU 18 -2.735 -0.807 -1.955 165 HD13 LEU 18 3HD1 LEU 18 -4.326 -0.051 -2.046 166 HD21 LEU 18 1HD2 LEU 18 -4.836 1.628 -3.390 167 HD22 LEU 18 2HD2 LEU 18 -3.759 2.224 -4.653 168 HD23 LEU 18 3HD2 LEU 18 -3.623 2.851 -3.010 169 H THR 19 H THR 19 -2.650 4.159 -4.167 170 HA THR 19 HA THR 19 -0.819 6.349 -3.776 171 HB THR 19 HB THR 19 -3.696 6.847 -3.342 172 HG1 THR 19 HG1 THR 19 -4.328 6.303 -5.359 173 HG21 THR 19 1HG2 THR 19 -3.157 8.866 -4.159 174 HG22 THR 19 2HG2 THR 19 -2.305 8.177 -5.540 175 HG23 THR 19 3HG2 THR 19 -1.483 8.341 -3.989 176 H ASP 20 H ASP 20 -1.619 8.047 -2.048 177 HA ASP 20 HA ASP 20 -2.021 6.623 0.501 178 HB2 ASP 20 2HB ASP 20 -0.321 7.781 1.538 179 HB3 ASP 20 3HB ASP 20 0.340 7.646 -0.089 180 H ASP 21 H ASP 21 -3.331 8.755 -1.615 181 HA ASP 21 HA ASP 21 -4.465 10.553 0.383 182 HB2 ASP 21 2HB ASP 21 -4.876 10.493 -2.614 183 HB3 ASP 21 3HB ASP 21 -5.413 11.762 -1.517 184 H ASN 22 H ASN 22 -5.561 8.203 -2.047 185 HA ASN 22 HA ASN 22 -8.102 7.998 -0.567 186 HB2 ASN 22 2HB ASN 22 -7.525 8.142 -3.475 187 HB3 ASN 22 3HB ASN 22 -8.791 7.022 -2.978 188 HD21 ASN 22 1HD2 ASN 22 -7.842 10.174 -1.679 189 HD22 ASN 22 2HD2 ASN 22 -9.378 10.929 -1.920 190 H THR 23 H THR 23 -5.873 6.190 -2.672 191 HA THR 23 HA THR 23 -5.219 4.009 -2.682 192 HB THR 23 HB THR 23 -6.238 4.062 0.164 193 HG1 THR 23 HG1 THR 23 -4.487 5.425 -0.067 194 HG21 THR 23 1HG2 THR 23 -5.375 1.864 -1.469 195 HG22 THR 23 2HG2 THR 23 -5.926 1.856 0.207 196 HG23 THR 23 3HG2 THR 23 -4.222 2.126 -0.160 197 H ILE 24 H ILE 24 -7.845 3.406 -0.417 198 HA ILE 24 HA ILE 24 -8.920 1.283 -1.897 199 HB ILE 24 HB ILE 24 -10.270 2.979 0.207 200 HG12 ILE 24 2HG1 ILE 24 -9.688 0.617 1.401 201 HG13 ILE 24 3HG1 ILE 24 -8.334 0.743 0.284 202 HG21 ILE 24 1HG2 ILE 24 -11.008 0.280 -0.914 203 HG22 ILE 24 2HG2 ILE 24 -11.751 1.022 0.502 204 HG23 ILE 24 3HG2 ILE 24 -11.920 1.780 -1.081 205 HD11 ILE 24 1HD1 ILE 24 -7.322 2.171 1.630 206 HD12 ILE 24 2HD1 ILE 24 -8.717 3.250 1.593 207 HD13 ILE 24 3HD1 ILE 24 -8.631 1.960 2.792 208 H ALA 25 H ALA 25 -10.406 4.480 -1.328 209 HA ALA 25 HA ALA 25 -12.495 4.250 -3.126 210 HB1 ALA 25 1HB ALA 25 -11.608 6.195 -1.432 211 HB2 ALA 25 2HB ALA 25 -11.340 6.936 -3.010 212 HB3 ALA 25 3HB ALA 25 -12.950 6.370 -2.564 213 H GLU 26 H GLU 26 -9.157 5.228 -3.700 214 HA GLU 26 HA GLU 26 -9.540 6.064 -6.386 215 HB2 GLU 26 2HB GLU 26 -7.585 6.631 -4.858 216 HB3 GLU 26 3HB GLU 26 -6.965 5.024 -5.211 217 HG2 GLU 26 2HG GLU 26 -6.032 5.775 -7.064 218 HG3 GLU 26 3HG GLU 26 -7.607 6.279 -7.672 219 H LEU 27 H LEU 27 -8.597 3.004 -4.896 220 HA LEU 27 HA LEU 27 -7.989 1.646 -7.301 221 HB2 LEU 27 2HB LEU 27 -8.157 1.039 -4.497 222 HB3 LEU 27 3HB LEU 27 -8.918 -0.240 -5.441 223 HG LEU 27 HG LEU 27 -6.515 -0.631 -4.886 224 HD11 LEU 27 1HD1 LEU 27 -7.892 -1.339 -7.068 225 HD12 LEU 27 2HD1 LEU 27 -6.216 -1.810 -6.789 226 HD13 LEU 27 3HD1 LEU 27 -6.583 -0.436 -7.832 227 HD21 LEU 27 1HD2 LEU 27 -5.868 1.420 -6.973 228 HD22 LEU 27 2HD2 LEU 27 -4.797 0.642 -5.807 229 HD23 LEU 27 3HD2 LEU 27 -5.961 1.853 -5.266 230 H LYS 28 H LYS 28 -10.908 1.654 -5.264 231 HA LYS 28 HA LYS 28 -12.424 -0.036 -6.947 232 HB2 LYS 28 2HB LYS 28 -14.353 0.710 -5.647 233 HB3 LYS 28 3HB LYS 28 -12.995 0.346 -4.592 234 HG2 LYS 28 2HG LYS 28 -12.483 2.793 -4.546 235 HG3 LYS 28 3HG LYS 28 -13.998 3.060 -5.412 236 HD2 LYS 28 2HD LYS 28 -13.707 1.731 -2.718 237 HD3 LYS 28 3HD LYS 28 -14.288 3.373 -3.006 238 HE2 LYS 28 2HE LYS 28 -15.858 1.774 -4.650 239 HE3 LYS 28 3HE LYS 28 -15.704 0.851 -3.157 240 HZ1 LYS 28 1HZ LYS 28 -17.446 2.140 -2.578 241 HZ2 LYS 28 2HZ LYS 28 -17.038 3.393 -3.638 242 HZ3 LYS 28 3HZ LYS 28 -16.229 3.239 -2.160 243 H GLY 29 H GLY 29 -12.097 3.479 -6.743 244 HA2 GLY 29 2HA GLY 29 -14.136 4.089 -8.618 245 HA3 GLY 29 3HA GLY 29 -12.833 5.161 -8.126 246 H LYS 30 H LYS 30 -10.722 3.343 -8.957 247 HA LYS 30 HA LYS 30 -10.550 4.156 -11.693 248 HB2 LYS 30 2HB LYS 30 -8.786 2.681 -9.787 249 HB3 LYS 30 3HB LYS 30 -8.440 2.572 -11.507 250 HG2 LYS 30 2HG LYS 30 -8.891 5.286 -10.451 251 HG3 LYS 30 3HG LYS 30 -7.428 4.464 -9.901 252 HD2 LYS 30 2HD LYS 30 -7.006 3.948 -12.369 253 HD3 LYS 30 3HD LYS 30 -8.249 5.155 -12.709 254 HE2 LYS 30 2HE LYS 30 -6.319 6.419 -12.793 255 HE3 LYS 30 3HE LYS 30 -6.841 6.662 -11.127 256 HZ1 LYS 30 1HZ LYS 30 -4.380 5.968 -11.755 257 HZ2 LYS 30 2HZ LYS 30 -5.050 4.419 -11.635 258 HZ3 LYS 30 3HZ LYS 30 -5.116 5.474 -10.314 259 H LEU 31 H LEU 31 -11.299 1.173 -10.016 260 HA LEU 31 HA LEU 31 -11.089 -0.543 -12.268 261 HB2 LEU 31 2HB LEU 31 -11.208 -1.062 -9.709 262 HB3 LEU 31 3HB LEU 31 -12.947 -1.096 -9.996 263 HG LEU 31 HG LEU 31 -11.967 -3.338 -10.022 264 HD11 LEU 31 1HD1 LEU 31 -13.888 -2.503 -11.575 265 HD12 LEU 31 2HD1 LEU 31 -13.193 -4.107 -11.810 266 HD13 LEU 31 3HD1 LEU 31 -12.707 -2.773 -12.857 267 HD21 LEU 31 1HD2 LEU 31 -10.519 -2.598 -12.543 268 HD22 LEU 31 2HD2 LEU 31 -10.328 -4.032 -11.534 269 HD23 LEU 31 3HD2 LEU 31 -9.747 -2.467 -10.963 270 H GLU 32 H GLU 32 -13.793 1.186 -10.769 271 HA GLU 32 HA GLU 32 -15.791 0.140 -12.485 272 HB2 GLU 32 2HB GLU 32 -17.169 2.035 -11.656 273 HB3 GLU 32 3HB GLU 32 -16.416 1.106 -10.367 274 HG2 GLU 32 2HG GLU 32 -14.664 2.820 -10.183 275 HG3 GLU 32 3HG GLU 32 -15.479 3.762 -11.430 276 H GLU 33 H GLU 33 -13.794 3.055 -12.586 277 HA GLU 33 HA GLU 33 -15.055 4.204 -14.851 278 HB2 GLU 33 2HB GLU 33 -13.345 5.178 -13.057 279 HB3 GLU 33 3HB GLU 33 -12.178 4.746 -14.299 280 HG2 GLU 33 2HG GLU 33 -12.690 6.971 -14.736 281 HG3 GLU 33 3HG GLU 33 -13.651 6.067 -15.904 282 H SER 34 H SER 34 -12.415 1.934 -14.436 283 HA SER 34 HA SER 34 -11.390 2.027 -17.057 284 HB2 SER 34 2HB SER 34 -10.183 0.063 -16.508 285 HB3 SER 34 3HB SER 34 -10.339 0.945 -14.989 286 HG SER 34 HG SER 34 -10.965 -1.050 -14.449 287 H GLU 35 H GLU 35 -13.859 -0.035 -15.564 288 HA GLU 35 HA GLU 35 -14.375 -1.440 -18.027 289 HB2 GLU 35 2HB GLU 35 -15.582 -1.487 -15.278 290 HB3 GLU 35 3HB GLU 35 -16.384 -2.294 -16.618 291 HG2 GLU 35 2HG GLU 35 -13.512 -2.844 -15.986 292 HG3 GLU 35 3HG GLU 35 -14.811 -3.655 -15.114 293 H GLY 36 H GLY 36 -15.158 1.579 -16.933 294 HA2 GLY 36 2HA GLY 36 -16.459 3.129 -18.131 295 HA3 GLY 36 3HA GLY 36 -17.319 1.794 -18.882 296 H ILE 37 H ILE 37 -18.165 0.366 -16.688 297 HA ILE 37 HA ILE 37 -19.691 2.264 -15.057 298 HB ILE 37 HB ILE 37 -21.720 0.771 -15.363 299 HG12 ILE 37 2HG1 ILE 37 -20.856 -0.008 -18.050 300 HG13 ILE 37 3HG1 ILE 37 -19.949 -0.811 -16.772 301 HG21 ILE 37 1HG2 ILE 37 -22.236 1.816 -17.648 302 HG22 ILE 37 2HG2 ILE 37 -21.855 2.899 -16.310 303 HG23 ILE 37 3HG2 ILE 37 -20.631 2.537 -17.527 304 HD11 ILE 37 1HD1 ILE 37 -22.894 -0.904 -17.310 305 HD12 ILE 37 2HD1 ILE 37 -21.737 -2.234 -17.252 306 HD13 ILE 37 3HD1 ILE 37 -22.203 -1.405 -15.767 307 HA PRO 38 HA PRO 38 -18.848 -0.481 -11.736 308 HB2 PRO 38 2HB PRO 38 -21.046 -0.121 -10.184 309 HB3 PRO 38 3HB PRO 38 -19.778 1.099 -10.351 310 HG2 PRO 38 2HG PRO 38 -22.433 0.927 -11.722 311 HG3 PRO 38 3HG PRO 38 -21.626 2.341 -11.020 312 HD2 PRO 38 2HD PRO 38 -21.619 1.830 -13.679 313 HD3 PRO 38 3HD PRO 38 -20.266 2.633 -12.858 314 H GLY 39 H GLY 39 -19.049 -2.614 -11.376 315 HA2 GLY 39 2HA GLY 39 -20.645 -4.279 -12.907 316 HA3 GLY 39 3HA GLY 39 -19.899 -4.747 -11.386 317 H ASN 40 H ASN 40 -21.240 -3.134 -9.596 318 HA ASN 40 HA ASN 40 -23.999 -2.968 -9.836 319 HB2 ASN 40 2HB ASN 40 -23.115 -5.669 -9.599 320 HB3 ASN 40 3HB ASN 40 -23.936 -5.231 -8.103 321 HD21 ASN 40 1HD2 ASN 40 -26.109 -4.895 -8.106 322 HD22 ASN 40 2HD2 ASN 40 -27.118 -5.186 -9.478 323 H MET 41 H MET 41 -22.086 -4.538 -7.273 324 HA MET 41 HA MET 41 -22.887 -2.370 -5.463 325 HB2 MET 41 2HB MET 41 -22.322 -5.256 -5.121 326 HB3 MET 41 3HB MET 41 -21.791 -4.205 -3.814 327 HG2 MET 41 2HG MET 41 -24.144 -3.269 -3.803 328 HG3 MET 41 3HG MET 41 -24.575 -4.620 -4.848 329 HE1 MET 41 1HE MET 41 -25.479 -3.957 -1.285 330 HE2 MET 41 2HE MET 41 -24.033 -4.472 -0.416 331 HE3 MET 41 3HE MET 41 -23.927 -3.189 -1.623 332 H ILE 42 H ILE 42 -20.088 -4.171 -6.631 333 HA ILE 42 HA ILE 42 -17.840 -3.825 -6.419 334 HB ILE 42 HB ILE 42 -18.568 -0.899 -6.402 335 HG12 ILE 42 2HG1 ILE 42 -19.832 -1.975 -8.181 336 HG13 ILE 42 3HG1 ILE 42 -18.513 -1.040 -8.876 337 HG21 ILE 42 1HG2 ILE 42 -16.399 -1.150 -7.988 338 HG22 ILE 42 2HG2 ILE 42 -16.322 -0.816 -6.259 339 HG23 ILE 42 3HG2 ILE 42 -16.117 -2.466 -6.848 340 HD11 ILE 42 1HD1 ILE 42 -17.769 -2.832 -9.927 341 HD12 ILE 42 2HD1 ILE 42 -17.617 -3.702 -8.400 342 HD13 ILE 42 3HD1 ILE 42 -19.137 -3.746 -9.293 343 H ARG 43 H ARG 43 -18.612 -4.548 -4.038 344 HA ARG 43 HA ARG 43 -17.390 -2.605 -2.189 345 HB2 ARG 43 2HB ARG 43 -19.972 -3.737 -2.081 346 HB3 ARG 43 3HB ARG 43 -19.037 -4.523 -0.816 347 HG2 ARG 43 2HG ARG 43 -18.474 -2.381 0.151 348 HG3 ARG 43 3HG ARG 43 -19.306 -1.545 -1.162 349 HD2 ARG 43 2HD ARG 43 -21.416 -2.606 -0.471 350 HD3 ARG 43 3HD ARG 43 -20.570 -3.388 0.863 351 HE ARG 43 HE ARG 43 -20.242 -0.556 0.901 352 HH11 ARG 43 1HH1 ARG 43 -22.435 -3.135 1.709 353 HH12 ARG 43 2HH1 ARG 43 -23.233 -2.240 2.960 354 HH21 ARG 43 1HH2 ARG 43 -21.284 0.633 2.545 355 HH22 ARG 43 2HH2 ARG 43 -22.578 -0.097 3.434 356 H LEU 44 H LEU 44 -15.533 -3.266 -1.349 357 HA LEU 44 HA LEU 44 -14.927 -6.142 -1.352 358 HB2 LEU 44 2HB LEU 44 -12.564 -5.426 -1.165 359 HB3 LEU 44 3HB LEU 44 -13.361 -4.877 -2.638 360 HG LEU 44 HG LEU 44 -13.460 -2.917 -0.476 361 HD11 LEU 44 1HD1 LEU 44 -10.759 -3.479 -1.669 362 HD12 LEU 44 2HD1 LEU 44 -11.247 -4.082 -0.086 363 HD13 LEU 44 3HD1 LEU 44 -11.176 -2.345 -0.384 364 HD21 LEU 44 1HD2 LEU 44 -13.699 -2.943 -3.204 365 HD22 LEU 44 2HD2 LEU 44 -12.084 -2.272 -2.971 366 HD23 LEU 44 3HD2 LEU 44 -13.478 -1.503 -2.209 367 H VAL 45 H VAL 45 -13.767 -7.038 0.462 368 HA VAL 45 HA VAL 45 -14.416 -5.663 2.987 369 HB VAL 45 HB VAL 45 -15.648 -7.755 2.705 370 HG11 VAL 45 1HG1 VAL 45 -13.360 -8.670 1.471 371 HG12 VAL 45 2HG1 VAL 45 -13.379 -9.550 3.000 372 HG13 VAL 45 3HG1 VAL 45 -14.763 -9.643 1.910 373 HG21 VAL 45 1HG2 VAL 45 -13.469 -7.900 4.786 374 HG22 VAL 45 2HG2 VAL 45 -15.034 -7.104 4.954 375 HG23 VAL 45 3HG2 VAL 45 -14.949 -8.859 4.800 376 H TYR 46 H TYR 46 -12.797 -5.107 4.291 377 HA TYR 46 HA TYR 46 -10.113 -6.148 3.686 378 HB2 TYR 46 2HB TYR 46 -10.854 -3.570 3.723 379 HB3 TYR 46 3HB TYR 46 -10.447 -3.762 5.425 380 HD1 TYR 46 HD1 TYR 46 -8.374 -2.866 5.875 381 HD2 TYR 46 HD2 TYR 46 -8.922 -5.022 2.249 382 HE1 TYR 46 HE1 TYR 46 -5.992 -2.564 5.343 383 HE2 TYR 46 HE2 TYR 46 -6.541 -4.728 1.707 384 HH TYR 46 HH TYR 46 -4.524 -2.563 3.406 385 H GLN 47 H GLN 47 -9.428 -7.672 5.024 386 HA GLN 47 HA GLN 47 -9.102 -8.936 6.888 387 HB2 GLN 47 2HB GLN 47 -8.410 -6.353 7.516 388 HB3 GLN 47 3HB GLN 47 -9.530 -6.762 8.808 389 HG2 GLN 47 2HG GLN 47 -7.730 -7.604 9.818 390 HG3 GLN 47 3HG GLN 47 -7.966 -8.979 8.740 391 HE21 GLN 47 1HE2 GLN 47 -6.431 -9.459 7.297 392 HE22 GLN 47 2HE2 GLN 47 -5.011 -8.517 7.013 393 H GLY 48 H GLY 48 -11.795 -8.729 5.914 394 HA2 GLY 48 2HA GLY 48 -13.810 -9.647 6.585 395 HA3 GLY 48 3HA GLY 48 -13.157 -9.795 8.210 396 H LYS 49 H LYS 49 -12.752 -6.675 7.047 397 HA LYS 49 HA LYS 49 -15.207 -5.785 8.414 398 HB2 LYS 49 2HB LYS 49 -12.479 -5.160 8.953 399 HB3 LYS 49 3HB LYS 49 -13.262 -3.700 8.360 400 HG2 LYS 49 2HG LYS 49 -14.064 -3.374 10.394 401 HG3 LYS 49 3HG LYS 49 -15.051 -4.824 10.194 402 HD2 LYS 49 2HD LYS 49 -12.207 -4.835 11.198 403 HD3 LYS 49 3HD LYS 49 -13.627 -4.822 12.246 404 HE2 LYS 49 2HE LYS 49 -12.927 -6.943 10.217 405 HE3 LYS 49 3HE LYS 49 -12.763 -7.085 11.967 406 HZ1 LYS 49 1HZ LYS 49 -15.050 -7.513 10.349 407 HZ2 LYS 49 2HZ LYS 49 -15.375 -6.326 11.510 408 HZ3 LYS 49 3HZ LYS 49 -14.827 -7.852 11.992 409 H GLN 50 H GLN 50 -15.994 -3.630 7.711 410 HA GLN 50 HA GLN 50 -15.548 -3.258 4.823 411 HB2 GLN 50 2HB GLN 50 -18.058 -2.568 6.351 412 HB3 GLN 50 3HB GLN 50 -17.837 -2.557 4.607 413 HG2 GLN 50 2HG GLN 50 -17.420 -5.031 4.753 414 HG3 GLN 50 3HG GLN 50 -17.943 -4.938 6.434 415 HE21 GLN 50 1HE2 GLN 50 -19.568 -6.477 5.672 416 HE22 GLN 50 2HE2 GLN 50 -21.019 -5.867 4.960 417 H LEU 51 H LEU 51 -16.293 -0.964 4.127 418 HA LEU 51 HA LEU 51 -15.911 1.277 4.147 419 HB2 LEU 51 2HB LEU 51 -15.803 1.246 7.134 420 HB3 LEU 51 3HB LEU 51 -16.436 2.488 6.055 421 HG LEU 51 HG LEU 51 -17.747 -0.174 6.607 422 HD11 LEU 51 1HD1 LEU 51 -19.162 0.867 8.098 423 HD12 LEU 51 2HD1 LEU 51 -18.824 2.476 7.462 424 HD13 LEU 51 3HD1 LEU 51 -17.623 1.651 8.455 425 HD21 LEU 51 1HD2 LEU 51 -19.665 0.828 5.439 426 HD22 LEU 51 2HD2 LEU 51 -18.260 0.656 4.388 427 HD23 LEU 51 3HD2 LEU 51 -18.677 2.237 5.050 428 H GLU 52 H GLU 52 -13.859 1.242 3.280 429 HA GLU 52 HA GLU 52 -11.658 1.484 5.225 430 HB2 GLU 52 2HB GLU 52 -11.390 0.413 2.415 431 HB3 GLU 52 3HB GLU 52 -10.163 0.425 3.674 432 HG2 GLU 52 2HG GLU 52 -10.789 -1.623 4.215 433 HG3 GLU 52 3HG GLU 52 -12.323 -0.955 4.771 434 H ASP 53 H ASP 53 -13.502 3.080 2.997 435 HA ASP 53 HA ASP 53 -11.728 4.599 1.491 436 HB2 ASP 53 2HB ASP 53 -14.314 4.503 1.421 437 HB3 ASP 53 3HB ASP 53 -14.247 5.776 2.637 438 H GLU 54 H GLU 54 -12.743 4.957 4.830 439 HA GLU 54 HA GLU 54 -11.589 7.544 5.196 440 HB2 GLU 54 2HB GLU 54 -13.291 5.901 6.654 441 HB3 GLU 54 3HB GLU 54 -11.824 5.951 7.621 442 HG2 GLU 54 2HG GLU 54 -12.549 7.868 8.453 443 HG3 GLU 54 3HG GLU 54 -12.241 8.587 6.873 444 H LYS 55 H LYS 55 -10.348 4.361 5.107 445 HA LYS 55 HA LYS 55 -7.906 5.137 6.533 446 HB2 LYS 55 2HB LYS 55 -9.046 2.480 5.694 447 HB3 LYS 55 3HB LYS 55 -7.368 2.643 6.195 448 HG2 LYS 55 2HG LYS 55 -8.377 2.020 8.157 449 HG3 LYS 55 3HG LYS 55 -8.391 3.780 8.301 450 HD2 LYS 55 2HD LYS 55 -10.702 3.815 7.466 451 HD3 LYS 55 3HD LYS 55 -10.683 2.053 7.362 452 HE2 LYS 55 2HE LYS 55 -9.844 2.960 9.973 453 HE3 LYS 55 3HE LYS 55 -11.429 3.608 9.554 454 HZ1 LYS 55 1HZ LYS 55 -11.325 0.894 8.831 455 HZ2 LYS 55 2HZ LYS 55 -12.322 1.643 9.974 456 HZ3 LYS 55 3HZ LYS 55 -10.811 1.041 10.437 457 H ARG 56 H ARG 56 -8.457 6.262 3.965 458 HA ARG 56 HA ARG 56 -7.320 5.035 1.782 459 HB2 ARG 56 2HB ARG 56 -6.583 7.483 1.199 460 HB3 ARG 56 3HB ARG 56 -8.290 7.063 1.268 461 HG2 ARG 56 2HG ARG 56 -7.399 7.877 3.862 462 HG3 ARG 56 3HG ARG 56 -6.953 9.094 2.665 463 HD2 ARG 56 2HD ARG 56 -9.529 8.402 1.957 464 HD3 ARG 56 3HD ARG 56 -9.568 8.378 3.720 465 HE ARG 56 HE ARG 56 -8.308 10.718 3.090 466 HH11 ARG 56 1HH1 ARG 56 -11.369 9.268 2.286 467 HH12 ARG 56 2HH1 ARG 56 -12.191 10.784 2.118 468 HH21 ARG 56 1HH2 ARG 56 -9.379 12.720 2.871 469 HH22 ARG 56 2HH2 ARG 56 -11.058 12.747 2.450 470 H LEU 57 H LEU 57 -5.566 7.426 3.766 471 HA LEU 57 HA LEU 57 -3.027 6.602 2.792 472 HB2 LEU 57 2HB LEU 57 -3.797 8.860 3.832 473 HB3 LEU 57 3HB LEU 57 -3.387 8.087 5.362 474 HG LEU 57 HG LEU 57 -1.386 8.242 3.134 475 HD11 LEU 57 1HD1 LEU 57 -0.562 10.328 4.019 476 HD12 LEU 57 2HD1 LEU 57 -1.835 10.352 5.239 477 HD13 LEU 57 3HD1 LEU 57 -2.246 10.520 3.532 478 HD21 LEU 57 1HD2 LEU 57 -1.450 7.315 5.860 479 HD22 LEU 57 2HD2 LEU 57 -0.226 8.569 5.655 480 HD23 LEU 57 3HD2 LEU 57 -0.191 7.127 4.639 481 H LYS 58 H LYS 58 -4.923 5.833 5.646 482 HA LYS 58 HA LYS 58 -2.956 4.573 7.178 483 HB2 LYS 58 2HB LYS 58 -5.792 4.874 7.248 484 HB3 LYS 58 3HB LYS 58 -5.416 3.176 7.512 485 HG2 LYS 58 2HG LYS 58 -3.683 4.900 9.055 486 HG3 LYS 58 3HG LYS 58 -5.388 5.200 9.401 487 HD2 LYS 58 2HD LYS 58 -4.281 2.412 9.320 488 HD3 LYS 58 3HD LYS 58 -4.160 3.403 10.775 489 HE2 LYS 58 2HE LYS 58 -6.663 3.744 10.581 490 HE3 LYS 58 3HE LYS 58 -6.647 2.473 9.359 491 HZ1 LYS 58 1HZ LYS 58 -6.274 0.877 10.891 492 HZ2 LYS 58 2HZ LYS 58 -7.018 1.987 11.928 493 HZ3 LYS 58 3HZ LYS 58 -5.331 1.869 11.885 494 H ASP 59 H ASP 59 -4.674 3.508 4.357 495 HA ASP 59 HA ASP 59 -3.952 0.729 4.692 496 HB2 ASP 59 2HB ASP 59 -5.551 2.314 2.765 497 HB3 ASP 59 3HB ASP 59 -4.778 0.866 2.125 498 H TYR 60 H TYR 60 -2.534 3.545 3.379 499 HA TYR 60 HA TYR 60 -0.869 2.235 1.442 500 HB2 TYR 60 2HB TYR 60 -1.534 4.618 1.246 501 HB3 TYR 60 3HB TYR 60 -0.572 4.983 2.674 502 HD1 TYR 60 HD1 TYR 60 0.093 2.925 -0.377 503 HD2 TYR 60 HD2 TYR 60 1.292 6.196 2.065 504 HE1 TYR 60 HE1 TYR 60 2.071 3.255 -1.802 505 HE2 TYR 60 HE2 TYR 60 3.273 6.537 0.646 506 HH TYR 60 HH TYR 60 4.361 5.898 -1.181 507 H GLN 61 H GLN 61 -0.768 2.691 4.823 508 HA GLN 61 HA GLN 61 2.111 2.449 5.038 509 HB2 GLN 61 2HB GLN 61 -0.059 2.481 7.141 510 HB3 GLN 61 3HB GLN 61 1.664 2.424 7.488 511 HG2 GLN 61 2HG GLN 61 2.013 4.589 6.632 512 HG3 GLN 61 3HG GLN 61 0.421 4.627 5.875 513 HE21 GLN 61 1HE2 GLN 61 -1.256 3.862 7.801 514 HE22 GLN 61 2HE2 GLN 61 -1.201 4.946 9.145 515 H MET 62 H MET 62 -0.451 0.352 4.573 516 HA MET 62 HA MET 62 0.565 -1.851 6.134 517 HB2 MET 62 2HB MET 62 -1.465 -2.056 3.922 518 HB3 MET 62 3HB MET 62 -1.282 -3.088 5.334 519 HG2 MET 62 2HG MET 62 -2.119 -0.201 5.443 520 HG3 MET 62 3HG MET 62 -3.236 -1.564 5.421 521 HE1 MET 62 1HE MET 62 -1.167 0.338 8.856 522 HE2 MET 62 2HE MET 62 0.045 -0.406 7.813 523 HE3 MET 62 3HE MET 62 -1.110 0.747 7.141 524 H SER 63 H SER 63 0.119 -1.308 2.633 525 HA SER 63 HA SER 63 1.164 -2.205 0.817 526 HB2 SER 63 2HB SER 63 3.641 -2.314 2.537 527 HB3 SER 63 3HB SER 63 3.534 -2.050 0.797 528 HG SER 63 HG SER 63 3.392 -0.255 2.822 529 H ALA 64 H ALA 64 -0.105 -4.064 2.611 530 HA ALA 64 HA ALA 64 0.762 -6.488 1.515 531 HB1 ALA 64 1HB ALA 64 2.177 -7.433 2.985 532 HB2 ALA 64 2HB ALA 64 2.525 -5.763 3.432 533 HB3 ALA 64 3HB ALA 64 1.378 -6.709 4.381 534 H GLY 65 H GLY 65 -1.691 -5.283 1.792 535 HA2 GLY 65 2HA GLY 65 -3.039 -7.027 3.762 536 HA3 GLY 65 3HA GLY 65 -3.611 -5.415 3.361 537 H ALA 66 H ALA 66 -4.071 -8.641 2.802 538 HA ALA 66 HA ALA 66 -4.680 -8.757 0.061 539 HB1 ALA 66 1HB ALA 66 -6.403 -10.501 1.520 540 HB2 ALA 66 2HB ALA 66 -4.973 -10.896 0.566 541 HB3 ALA 66 3HB ALA 66 -4.810 -10.500 2.276 542 H THR 67 H THR 67 -6.449 -8.239 -1.106 543 HA THR 67 HA THR 67 -8.760 -7.125 0.348 544 HB THR 67 HB THR 67 -8.692 -5.987 -2.242 545 HG1 THR 67 HG1 THR 67 -6.184 -6.007 -0.912 546 HG21 THR 67 1HG2 THR 67 -7.810 -4.486 0.185 547 HG22 THR 67 2HG2 THR 67 -9.444 -5.148 0.129 548 HG23 THR 67 3HG2 THR 67 -8.916 -3.998 -1.098 549 H PHE 68 H PHE 68 -10.777 -7.681 -0.350 550 HA PHE 68 HA PHE 68 -10.960 -9.426 -2.711 551 HB2 PHE 68 2HB PHE 68 -11.051 -10.928 -0.860 552 HB3 PHE 68 3HB PHE 68 -12.154 -9.878 0.023 553 HD1 PHE 68 HD1 PHE 68 -14.511 -9.757 -0.582 554 HD2 PHE 68 HD2 PHE 68 -11.838 -12.397 -2.583 555 HE1 PHE 68 HE1 PHE 68 -16.428 -10.993 -1.506 556 HE2 PHE 68 HE2 PHE 68 -13.750 -13.636 -3.511 557 HZ PHE 68 HZ PHE 68 -16.049 -12.934 -2.973 558 H HIS 69 H HIS 69 -12.188 -8.431 -4.157 559 HA HIS 69 HA HIS 69 -14.229 -6.539 -3.304 560 HB2 HIS 69 2HB HIS 69 -13.097 -7.257 -6.010 561 HB3 HIS 69 3HB HIS 69 -14.442 -6.140 -5.800 562 HD1 HIS 69 HD1 HIS 69 -11.228 -6.329 -3.785 563 HD2 HIS 69 HD2 HIS 69 -13.279 -3.738 -6.302 564 HE1 HIS 69 HE1 HIS 69 -9.920 -4.182 -3.750 565 H MET 70 H MET 70 -16.412 -6.726 -3.739 566 HA MET 70 HA MET 70 -17.319 -9.326 -4.780 567 HB2 MET 70 2HB MET 70 -17.545 -9.334 -2.350 568 HB3 MET 70 3HB MET 70 -18.443 -7.823 -2.410 569 HG2 MET 70 2HG MET 70 -20.343 -8.909 -2.702 570 HG3 MET 70 3HG MET 70 -19.697 -9.742 -4.114 571 HE1 MET 70 1HE MET 70 -18.866 -13.198 -2.987 572 HE2 MET 70 2HE MET 70 -19.752 -12.262 -4.191 573 HE3 MET 70 3HE MET 70 -18.063 -11.884 -3.846 574 H VAL 71 H VAL 71 -18.788 -9.209 -6.355 575 HA VAL 71 HA VAL 71 -20.363 -6.742 -6.645 576 HB VAL 71 HB VAL 71 -18.612 -6.497 -8.256 577 HG11 VAL 71 1HG1 VAL 71 -18.803 -9.350 -8.421 578 HG12 VAL 71 2HG1 VAL 71 -18.929 -8.650 -10.036 579 HG13 VAL 71 3HG1 VAL 71 -17.535 -8.281 -9.020 580 HG21 VAL 71 1HG2 VAL 71 -19.869 -6.444 -10.339 581 HG22 VAL 71 2HG2 VAL 71 -21.081 -7.527 -9.654 582 HG23 VAL 71 3HG2 VAL 71 -20.877 -5.904 -8.997 583 H VAL 72 H VAL 72 -22.408 -7.344 -6.368 584 HA VAL 72 HA VAL 72 -23.287 -9.946 -7.411 585 HB VAL 72 HB VAL 72 -23.789 -9.714 -5.086 586 HG11 VAL 72 1HG1 VAL 72 -24.228 -6.971 -5.782 587 HG12 VAL 72 2HG1 VAL 72 -25.637 -7.601 -4.926 588 HG13 VAL 72 3HG1 VAL 72 -24.038 -7.699 -4.188 589 HG21 VAL 72 1HG2 VAL 72 -26.119 -10.121 -5.078 590 HG22 VAL 72 2HG2 VAL 72 -26.375 -9.116 -6.504 591 HG23 VAL 72 3HG2 VAL 72 -25.537 -10.661 -6.653 592 H ALA 73 H ALA 73 -24.061 -9.801 -9.416 593 HA ALA 73 HA ALA 73 -25.864 -7.555 -10.051 594 HB1 ALA 73 1HB ALA 73 -23.697 -7.529 -11.287 595 HB2 ALA 73 2HB ALA 73 -24.161 -9.061 -12.029 596 HB3 ALA 73 3HB ALA 73 -25.122 -7.612 -12.323 597 H LEU 74 H LEU 74 -27.833 -8.454 -9.705 598 HA LEU 74 HA LEU 74 -28.423 -11.005 -11.051 599 HB2 LEU 74 2HB LEU 74 -30.341 -11.167 -9.503 600 HB3 LEU 74 3HB LEU 74 -28.778 -11.156 -8.689 601 HG LEU 74 HG LEU 74 -29.909 -8.494 -8.875 602 HD11 LEU 74 1HD1 LEU 74 -31.803 -8.757 -7.467 603 HD12 LEU 74 2HD1 LEU 74 -31.482 -10.477 -7.248 604 HD13 LEU 74 3HD1 LEU 74 -32.006 -9.872 -8.819 605 HD21 LEU 74 1HD2 LEU 74 -29.566 -9.820 -6.273 606 HD22 LEU 74 2HD2 LEU 74 -28.930 -8.283 -6.860 607 HD23 LEU 74 3HD2 LEU 74 -28.133 -9.793 -7.302 608 H ARG 75 H ARG 75 -29.261 -7.650 -10.802 609 HA ARG 75 HA ARG 75 -31.716 -7.908 -12.300 610 HB2 ARG 75 2HB ARG 75 -30.291 -5.781 -10.874 611 HB3 ARG 75 3HB ARG 75 -31.064 -5.237 -12.357 612 HG2 ARG 75 2HG ARG 75 -33.036 -5.200 -11.358 613 HG3 ARG 75 3HG ARG 75 -32.878 -6.899 -10.908 614 HD2 ARG 75 2HD ARG 75 -32.936 -6.083 -8.810 615 HD3 ARG 75 3HD ARG 75 -31.228 -5.761 -9.103 616 HE ARG 75 HE ARG 75 -32.675 -3.553 -9.996 617 HH11 ARG 75 1HH1 ARG 75 -31.972 -5.197 -7.009 618 HH12 ARG 75 2HH1 ARG 75 -32.104 -3.767 -6.040 619 HH21 ARG 75 1HH2 ARG 75 -32.852 -1.664 -8.731 620 HH22 ARG 75 2HH2 ARG 75 -32.606 -1.758 -7.020 621 H ALA 76 H ALA 76 -28.540 -6.401 -12.893 622 HA ALA 76 HA ALA 76 -28.567 -7.243 -15.639 623 HB1 ALA 76 1HB ALA 76 -28.250 -4.770 -16.390 624 HB2 ALA 76 2HB ALA 76 -29.875 -5.418 -16.165 625 HB3 ALA 76 3HB ALA 76 -29.150 -4.404 -14.918 626 H GLY 77 H GLY 77 -26.576 -6.590 -16.788 627 HA2 GLY 77 2HA GLY 77 -24.413 -5.251 -16.116 628 HA3 GLY 77 3HA GLY 77 -24.345 -6.515 -14.896 629 H CYS 78 H CYS 78 -25.046 -6.415 -18.393 630 HA CYS 78 HA CYS 78 -23.257 -8.721 -18.720 631 HB2 CYS 78 2HB CYS 78 -25.811 -8.008 -19.849 632 HB3 CYS 78 3HB CYS 78 -24.629 -8.232 -21.133 633 HG CYS 78 HG CYS 78 -26.262 -10.566 -20.490 Start of MODEL 12 1 H MET 1 H MET 1 1.800 0.000 0.834 2 HA MET 1 HA MET 1 1.974 0.904 -1.734 3 HB2 MET 1 2HB MET 1 3.814 0.176 -0.002 4 HB3 MET 1 3HB MET 1 3.784 -1.331 -0.907 5 HG2 MET 1 2HG MET 1 4.321 -0.137 -2.952 6 HG3 MET 1 3HG MET 1 4.300 1.393 -2.077 7 HE1 MET 1 1HE MET 1 7.656 2.044 -1.486 8 HE2 MET 1 2HE MET 1 7.422 1.494 -3.145 9 HE3 MET 1 3HE MET 1 6.141 2.384 -2.322 10 H LEU 2 H LEU 2 2.200 -2.570 -0.941 11 HA LEU 2 HA LEU 2 1.103 -3.155 -3.606 12 HB2 LEU 2 2HB LEU 2 3.288 -4.093 -3.259 13 HB3 LEU 2 3HB LEU 2 2.779 -4.820 -1.736 14 HG LEU 2 HG LEU 2 1.299 -5.664 -4.153 15 HD11 LEU 2 1HD1 LEU 2 3.435 -7.398 -4.144 16 HD12 LEU 2 2HD1 LEU 2 4.197 -5.817 -3.976 17 HD13 LEU 2 3HD1 LEU 2 3.124 -6.139 -5.339 18 HD21 LEU 2 1HD2 LEU 2 2.186 -6.781 -1.547 19 HD22 LEU 2 2HD2 LEU 2 1.918 -7.900 -2.883 20 HD23 LEU 2 3HD2 LEU 2 0.609 -6.853 -2.333 21 H LEU 3 H LEU 3 -0.838 -4.071 -3.791 22 HA LEU 3 HA LEU 3 -1.963 -5.537 -1.520 23 HB2 LEU 3 2HB LEU 3 -3.926 -4.322 -1.416 24 HB3 LEU 3 3HB LEU 3 -2.700 -3.074 -1.631 25 HG LEU 3 HG LEU 3 -4.461 -4.167 -3.825 26 HD11 LEU 3 1HD1 LEU 3 -4.857 -1.397 -3.193 27 HD12 LEU 3 2HD1 LEU 3 -5.117 -2.391 -1.759 28 HD13 LEU 3 3HD1 LEU 3 -6.028 -2.715 -3.233 29 HD21 LEU 3 1HD2 LEU 3 -2.397 -3.384 -4.734 30 HD22 LEU 3 2HD2 LEU 3 -2.444 -1.929 -3.738 31 HD23 LEU 3 3HD2 LEU 3 -3.619 -2.149 -5.036 32 H LYS 4 H LYS 4 -3.513 -7.094 -2.065 33 HA LYS 4 HA LYS 4 -3.655 -7.711 -4.944 34 HB2 LYS 4 2HB LYS 4 -2.376 -9.379 -3.721 35 HB3 LYS 4 3HB LYS 4 -3.689 -9.582 -2.569 36 HG2 LYS 4 2HG LYS 4 -4.994 -10.760 -4.055 37 HG3 LYS 4 3HG LYS 4 -4.189 -10.075 -5.468 38 HD2 LYS 4 2HD LYS 4 -3.582 -12.417 -5.177 39 HD3 LYS 4 3HD LYS 4 -2.177 -11.374 -4.945 40 HE2 LYS 4 2HE LYS 4 -1.855 -12.260 -2.936 41 HE3 LYS 4 3HE LYS 4 -3.446 -11.692 -2.430 42 HZ1 LYS 4 1HZ LYS 4 -3.953 -13.916 -3.937 43 HZ2 LYS 4 2HZ LYS 4 -3.985 -13.824 -2.248 44 HZ3 LYS 4 3HZ LYS 4 -2.583 -14.341 -3.041 45 H VAL 5 H VAL 5 -5.589 -7.249 -5.750 46 HA VAL 5 HA VAL 5 -7.957 -7.528 -4.032 47 HB VAL 5 HB VAL 5 -9.125 -6.127 -5.676 48 HG11 VAL 5 1HG1 VAL 5 -7.584 -5.262 -3.740 49 HG12 VAL 5 2HG1 VAL 5 -6.614 -4.637 -5.075 50 HG13 VAL 5 3HG1 VAL 5 -8.295 -4.134 -4.894 51 HG21 VAL 5 1HG2 VAL 5 -7.077 -4.992 -7.180 52 HG22 VAL 5 2HG2 VAL 5 -6.786 -6.729 -7.263 53 HG23 VAL 5 3HG2 VAL 5 -8.345 -6.071 -7.762 54 H LYS 6 H LYS 6 -9.417 -9.069 -4.404 55 HA LYS 6 HA LYS 6 -9.389 -10.436 -7.011 56 HB2 LYS 6 2HB LYS 6 -9.900 -12.557 -5.773 57 HB3 LYS 6 3HB LYS 6 -8.282 -11.924 -5.500 58 HG2 LYS 6 2HG LYS 6 -9.721 -10.766 -3.476 59 HG3 LYS 6 3HG LYS 6 -10.465 -12.360 -3.623 60 HD2 LYS 6 2HD LYS 6 -8.760 -12.818 -2.153 61 HD3 LYS 6 3HD LYS 6 -7.969 -13.170 -3.691 62 HE2 LYS 6 2HE LYS 6 -6.371 -11.766 -3.012 63 HE3 LYS 6 3HE LYS 6 -7.520 -10.477 -3.368 64 HZ1 LYS 6 1HZ LYS 6 -7.232 -11.810 -0.730 65 HZ2 LYS 6 2HZ LYS 6 -8.250 -10.507 -1.088 66 HZ3 LYS 6 3HZ LYS 6 -6.571 -10.305 -1.131 67 H THR 7 H THR 7 -11.291 -10.321 -7.985 68 HA THR 7 HA THR 7 -13.652 -9.554 -6.473 69 HB THR 7 HB THR 7 -14.733 -9.204 -8.603 70 HG1 THR 7 HG1 THR 7 -13.812 -9.860 -10.516 71 HG21 THR 7 1HG2 THR 7 -12.339 -7.909 -7.812 72 HG22 THR 7 2HG2 THR 7 -13.675 -7.251 -8.758 73 HG23 THR 7 3HG2 THR 7 -12.319 -8.032 -9.570 74 H VAL 8 H VAL 8 -15.769 -10.633 -7.200 75 HA VAL 8 HA VAL 8 -15.642 -13.378 -6.480 76 HB VAL 8 HB VAL 8 -17.573 -11.888 -5.969 77 HG11 VAL 8 1HG1 VAL 8 -18.314 -12.290 -8.863 78 HG12 VAL 8 2HG1 VAL 8 -19.206 -11.372 -7.647 79 HG13 VAL 8 3HG1 VAL 8 -17.635 -10.800 -8.209 80 HG21 VAL 8 1HG2 VAL 8 -18.769 -14.093 -7.532 81 HG22 VAL 8 2HG2 VAL 8 -17.550 -14.542 -6.339 82 HG23 VAL 8 3HG2 VAL 8 -18.989 -13.653 -5.838 83 H SER 9 H SER 9 -15.135 -11.822 -9.407 84 HA SER 9 HA SER 9 -16.165 -13.953 -11.084 85 HB2 SER 9 2HB SER 9 -15.114 -11.232 -11.499 86 HB3 SER 9 3HB SER 9 -14.679 -12.387 -12.758 87 HG SER 9 HG SER 9 -17.296 -11.780 -11.840 88 H ASN 10 H ASN 10 -13.759 -14.042 -9.088 89 HA ASN 10 HA ASN 10 -11.865 -15.293 -8.913 90 HB2 ASN 10 2HB ASN 10 -13.360 -16.580 -10.884 91 HB3 ASN 10 3HB ASN 10 -11.760 -16.402 -11.598 92 HD21 ASN 10 1HD2 ASN 10 -13.643 -18.397 -9.840 93 HD22 ASN 10 2HD2 ASN 10 -12.428 -19.299 -9.005 94 H LYS 11 H LYS 11 -11.861 -12.581 -9.992 95 HA LYS 11 HA LYS 11 -9.475 -12.672 -11.712 96 HB2 LYS 11 2HB LYS 11 -11.527 -10.500 -11.270 97 HB3 LYS 11 3HB LYS 11 -10.035 -10.254 -12.168 98 HG2 LYS 11 2HG LYS 11 -10.711 -11.954 -13.778 99 HG3 LYS 11 3HG LYS 11 -12.200 -12.227 -12.870 100 HD2 LYS 11 2HD LYS 11 -12.962 -10.770 -14.465 101 HD3 LYS 11 3HD LYS 11 -12.481 -9.627 -13.209 102 HE2 LYS 11 2HE LYS 11 -11.485 -8.690 -15.054 103 HE3 LYS 11 3HE LYS 11 -10.176 -9.705 -14.451 104 HZ1 LYS 11 1HZ LYS 11 -12.083 -10.648 -16.509 105 HZ2 LYS 11 2HZ LYS 11 -10.581 -11.306 -16.096 106 HZ3 LYS 11 3HZ LYS 11 -10.660 -9.825 -16.910 107 H VAL 12 H VAL 12 -7.730 -12.696 -10.420 108 HA VAL 12 HA VAL 12 -7.639 -10.827 -8.151 109 HB VAL 12 HB VAL 12 -5.794 -13.156 -8.688 110 HG11 VAL 12 1HG1 VAL 12 -6.076 -11.163 -6.484 111 HG12 VAL 12 2HG1 VAL 12 -5.500 -12.790 -6.117 112 HG13 VAL 12 3HG1 VAL 12 -4.619 -11.779 -7.264 113 HG21 VAL 12 1HG2 VAL 12 -8.487 -13.117 -7.684 114 HG22 VAL 12 2HG2 VAL 12 -7.432 -14.494 -8.001 115 HG23 VAL 12 3HG2 VAL 12 -7.375 -13.681 -6.437 116 H ILE 13 H ILE 13 -6.356 -9.102 -8.237 117 HA ILE 13 HA ILE 13 -4.168 -9.072 -10.208 118 HB ILE 13 HB ILE 13 -6.021 -6.776 -9.561 119 HG12 ILE 13 2HG1 ILE 13 -7.068 -8.404 -11.036 120 HG13 ILE 13 3HG1 ILE 13 -6.654 -6.958 -11.949 121 HG21 ILE 13 1HG2 ILE 13 -4.725 -5.705 -11.488 122 HG22 ILE 13 2HG2 ILE 13 -3.927 -5.800 -9.919 123 HG23 ILE 13 3HG2 ILE 13 -3.509 -6.947 -11.191 124 HD11 ILE 13 1HD1 ILE 13 -5.881 -9.666 -12.404 125 HD12 ILE 13 2HD1 ILE 13 -5.602 -8.240 -13.405 126 HD13 ILE 13 3HD1 ILE 13 -4.445 -8.675 -12.146 127 H GLN 14 H GLN 14 -2.287 -8.899 -9.200 128 HA GLN 14 HA GLN 14 -2.179 -7.483 -6.627 129 HB2 GLN 14 2HB GLN 14 -1.447 -9.763 -6.431 130 HB3 GLN 14 3HB GLN 14 -0.378 -9.593 -7.816 131 HG2 GLN 14 2HG GLN 14 0.314 -7.616 -5.893 132 HG3 GLN 14 3HG GLN 14 0.200 -9.179 -5.085 133 HE21 GLN 14 1HE2 GLN 14 1.205 -8.355 -8.374 134 HE22 GLN 14 2HE2 GLN 14 2.792 -9.023 -8.245 135 H ILE 15 H ILE 15 -1.442 -5.475 -6.735 136 HA ILE 15 HA ILE 15 0.674 -4.860 -8.694 137 HB ILE 15 HB ILE 15 -0.189 -2.526 -8.709 138 HG12 ILE 15 2HG1 ILE 15 -1.481 -3.034 -6.468 139 HG13 ILE 15 3HG1 ILE 15 -2.121 -1.873 -7.626 140 HG21 ILE 15 1HG2 ILE 15 -0.806 -3.713 -10.594 141 HG22 ILE 15 2HG2 ILE 15 -1.828 -4.826 -9.686 142 HG23 ILE 15 3HG2 ILE 15 -2.365 -3.171 -9.972 143 HD11 ILE 15 1HD1 ILE 15 -2.965 -4.706 -7.874 144 HD12 ILE 15 2HD1 ILE 15 -3.631 -3.739 -6.557 145 HD13 ILE 15 3HD1 ILE 15 -3.850 -3.222 -8.229 146 H THR 16 H THR 16 2.253 -3.313 -8.069 147 HA THR 16 HA THR 16 2.499 -2.990 -5.148 148 HB THR 16 HB THR 16 4.205 -4.509 -5.910 149 HG1 THR 16 HG1 THR 16 4.918 -3.003 -4.373 150 HG21 THR 16 1HG2 THR 16 5.952 -3.287 -7.545 151 HG22 THR 16 2HG2 THR 16 4.453 -2.552 -8.115 152 HG23 THR 16 3HG2 THR 16 4.637 -4.306 -8.129 153 H SER 17 H SER 17 1.116 -1.028 -6.070 154 HA SER 17 HA SER 17 2.752 1.272 -5.762 155 HB2 SER 17 2HB SER 17 3.376 1.081 -8.030 156 HB3 SER 17 3HB SER 17 1.753 0.601 -8.525 157 HG SER 17 HG SER 17 2.353 3.145 -7.432 158 H LEU 18 H LEU 18 1.163 1.462 -4.089 159 HA LEU 18 HA LEU 18 -1.508 2.265 -5.020 160 HB2 LEU 18 2HB LEU 18 -0.651 0.608 -2.903 161 HB3 LEU 18 3HB LEU 18 -1.330 2.060 -2.173 162 HG LEU 18 HG LEU 18 -2.719 0.130 -4.026 163 HD11 LEU 18 1HD1 LEU 18 -4.273 0.103 -1.961 164 HD12 LEU 18 2HD1 LEU 18 -2.874 0.748 -1.103 165 HD13 LEU 18 3HD1 LEU 18 -2.768 -0.815 -1.913 166 HD21 LEU 18 1HD2 LEU 18 -4.718 1.642 -3.428 167 HD22 LEU 18 2HD2 LEU 18 -3.602 2.178 -4.685 168 HD23 LEU 18 3HD2 LEU 18 -3.494 2.858 -3.060 169 H THR 19 H THR 19 -2.486 4.149 -4.143 170 HA THR 19 HA THR 19 -0.614 6.305 -3.748 171 HB THR 19 HB THR 19 -3.482 6.866 -3.339 172 HG1 THR 19 HG1 THR 19 -2.502 5.937 -5.853 173 HG21 THR 19 1HG2 THR 19 -2.779 8.876 -3.993 174 HG22 THR 19 2HG2 THR 19 -2.247 8.219 -5.541 175 HG23 THR 19 3HG2 THR 19 -1.150 8.223 -4.161 176 H ASP 20 H ASP 20 -1.423 8.029 -2.036 177 HA ASP 20 HA ASP 20 -1.852 6.621 0.517 178 HB2 ASP 20 2HB ASP 20 -0.442 8.736 1.355 179 HB3 ASP 20 3HB ASP 20 0.321 7.226 0.865 180 H ASP 21 H ASP 21 -3.131 8.752 -1.619 181 HA ASP 21 HA ASP 21 -4.269 10.566 0.363 182 HB2 ASP 21 2HB ASP 21 -4.676 10.504 -2.634 183 HB3 ASP 21 3HB ASP 21 -5.175 11.789 -1.538 184 H ASN 22 H ASN 22 -5.371 8.236 -2.087 185 HA ASN 22 HA ASN 22 -7.921 8.046 -0.621 186 HB2 ASN 22 2HB ASN 22 -7.321 8.195 -3.522 187 HB3 ASN 22 3HB ASN 22 -8.591 7.073 -3.043 188 HD21 ASN 22 1HD2 ASN 22 -7.675 10.199 -1.671 189 HD22 ASN 22 2HD2 ASN 22 -9.202 10.961 -1.942 190 H THR 23 H THR 23 -5.718 6.212 -2.734 191 HA THR 23 HA THR 23 -5.079 4.027 -2.737 192 HB THR 23 HB THR 23 -6.100 4.084 0.109 193 HG1 THR 23 HG1 THR 23 -3.756 4.177 0.485 194 HG21 THR 23 1HG2 THR 23 -4.083 2.143 -0.234 195 HG22 THR 23 2HG2 THR 23 -5.259 1.884 -1.523 196 HG23 THR 23 3HG2 THR 23 -5.781 1.881 0.161 197 H ILE 24 H ILE 24 -7.713 3.456 -0.472 198 HA ILE 24 HA ILE 24 -8.809 1.341 -1.948 199 HB ILE 24 HB ILE 24 -10.135 3.053 0.158 200 HG12 ILE 24 2HG1 ILE 24 -9.592 0.685 1.352 201 HG13 ILE 24 3HG1 ILE 24 -8.241 0.778 0.227 202 HG21 ILE 24 1HG2 ILE 24 -11.948 1.997 -0.746 203 HG22 ILE 24 2HG2 ILE 24 -11.004 0.617 -1.306 204 HG23 ILE 24 3HG2 ILE 24 -11.423 0.764 0.401 205 HD11 ILE 24 1HD1 ILE 24 -7.194 2.230 1.522 206 HD12 ILE 24 2HD1 ILE 24 -8.604 3.289 1.572 207 HD13 ILE 24 3HD1 ILE 24 -8.449 1.971 2.733 208 H ALA 25 H ALA 25 -10.266 4.552 -1.380 209 HA ALA 25 HA ALA 25 -12.354 4.338 -3.184 210 HB1 ALA 25 1HB ALA 25 -11.477 6.266 -1.475 211 HB2 ALA 25 2HB ALA 25 -11.174 7.015 -3.043 212 HB3 ALA 25 3HB ALA 25 -12.797 6.464 -2.628 213 H GLU 26 H GLU 26 -9.000 5.240 -3.745 214 HA GLU 26 HA GLU 26 -9.354 6.129 -6.418 215 HB2 GLU 26 2HB GLU 26 -7.384 6.607 -4.873 216 HB3 GLU 26 3HB GLU 26 -6.811 4.992 -5.266 217 HG2 GLU 26 2HG GLU 26 -5.649 6.310 -6.751 218 HG3 GLU 26 3HG GLU 26 -7.018 5.767 -7.719 219 H LEU 27 H LEU 27 -8.465 3.025 -4.979 220 HA LEU 27 HA LEU 27 -7.927 1.690 -7.415 221 HB2 LEU 27 2HB LEU 27 -7.831 1.089 -4.681 222 HB3 LEU 27 3HB LEU 27 -8.946 -0.080 -5.386 223 HG LEU 27 HG LEU 27 -6.693 -0.009 -7.075 224 HD11 LEU 27 1HD1 LEU 27 -5.343 1.013 -5.411 225 HD12 LEU 27 2HD1 LEU 27 -4.939 -0.703 -5.419 226 HD13 LEU 27 3HD1 LEU 27 -5.976 -0.047 -4.152 227 HD21 LEU 27 1HD2 LEU 27 -6.495 -2.317 -6.459 228 HD22 LEU 27 2HD2 LEU 27 -8.209 -1.910 -6.545 229 HD23 LEU 27 3HD2 LEU 27 -7.412 -2.050 -4.977 230 H LYS 28 H LYS 28 -10.805 1.717 -5.320 231 HA LYS 28 HA LYS 28 -12.384 0.082 -6.997 232 HB2 LYS 28 2HB LYS 28 -14.270 0.825 -5.646 233 HB3 LYS 28 3HB LYS 28 -12.891 0.457 -4.618 234 HG2 LYS 28 2HG LYS 28 -12.374 2.895 -4.561 235 HG3 LYS 28 3HG LYS 28 -13.887 3.179 -5.424 236 HD2 LYS 28 2HD LYS 28 -13.606 1.837 -2.734 237 HD3 LYS 28 3HD LYS 28 -14.167 3.487 -3.014 238 HE2 LYS 28 2HE LYS 28 -15.945 2.373 -4.524 239 HE3 LYS 28 3HE LYS 28 -15.517 0.893 -3.668 240 HZ1 LYS 28 1HZ LYS 28 -17.230 2.933 -2.831 241 HZ2 LYS 28 2HZ LYS 28 -15.899 2.935 -1.787 242 HZ3 LYS 28 3HZ LYS 28 -16.804 1.522 -2.000 243 H GLY 29 H GLY 29 -11.959 3.581 -6.771 244 HA2 GLY 29 2HA GLY 29 -14.033 4.266 -8.582 245 HA3 GLY 29 3HA GLY 29 -12.688 5.297 -8.116 246 H LYS 30 H LYS 30 -10.652 3.427 -9.020 247 HA LYS 30 HA LYS 30 -10.533 4.261 -11.753 248 HB2 LYS 30 2HB LYS 30 -8.756 2.728 -9.906 249 HB3 LYS 30 3HB LYS 30 -8.460 2.620 -11.637 250 HG2 LYS 30 2HG LYS 30 -8.722 5.278 -10.286 251 HG3 LYS 30 3HG LYS 30 -7.196 4.392 -10.274 252 HD2 LYS 30 2HD LYS 30 -7.184 4.347 -12.708 253 HD3 LYS 30 3HD LYS 30 -8.742 5.176 -12.746 254 HE2 LYS 30 2HE LYS 30 -7.313 6.942 -13.062 255 HE3 LYS 30 3HE LYS 30 -7.469 6.962 -11.306 256 HZ1 LYS 30 1HZ LYS 30 -5.318 5.366 -12.495 257 HZ2 LYS 30 2HZ LYS 30 -5.360 6.185 -11.016 258 HZ3 LYS 30 3HZ LYS 30 -5.136 7.048 -12.454 259 H LEU 31 H LEU 31 -11.325 1.291 -10.080 260 HA LEU 31 HA LEU 31 -11.212 -0.419 -12.343 261 HB2 LEU 31 2HB LEU 31 -11.313 -0.928 -9.770 262 HB3 LEU 31 3HB LEU 31 -13.052 -0.947 -10.056 263 HG LEU 31 HG LEU 31 -12.147 -3.198 -10.095 264 HD11 LEU 31 1HD1 LEU 31 -14.001 -2.409 -11.671 265 HD12 LEU 31 2HD1 LEU 31 -13.210 -3.942 -12.036 266 HD13 LEU 31 3HD1 LEU 31 -12.779 -2.490 -12.940 267 HD21 LEU 31 1HD2 LEU 31 -10.618 -2.673 -12.588 268 HD22 LEU 31 2HD2 LEU 31 -10.365 -3.892 -11.338 269 HD23 LEU 31 3HD2 LEU 31 -9.882 -2.220 -11.050 270 H GLU 32 H GLU 32 -13.834 1.379 -10.780 271 HA GLU 32 HA GLU 32 -15.895 0.403 -12.464 272 HB2 GLU 32 2HB GLU 32 -17.202 2.329 -11.593 273 HB3 GLU 32 3HB GLU 32 -16.453 1.367 -10.327 274 HG2 GLU 32 2HG GLU 32 -14.646 3.028 -10.167 275 HG3 GLU 32 3HG GLU 32 -15.466 4.006 -11.382 276 H GLU 33 H GLU 33 -13.833 3.274 -12.573 277 HA GLU 33 HA GLU 33 -15.101 4.465 -14.812 278 HB2 GLU 33 2HB GLU 33 -13.381 5.420 -13.043 279 HB3 GLU 33 3HB GLU 33 -12.205 4.929 -14.255 280 HG2 GLU 33 2HG GLU 33 -13.328 6.320 -15.916 281 HG3 GLU 33 3HG GLU 33 -14.513 6.808 -14.706 282 H SER 34 H SER 34 -12.509 2.133 -14.450 283 HA SER 34 HA SER 34 -11.511 2.229 -17.082 284 HB2 SER 34 2HB SER 34 -10.322 1.143 -15.201 285 HB3 SER 34 3HB SER 34 -11.546 -0.127 -15.178 286 HG SER 34 HG SER 34 -9.416 -0.301 -16.490 287 H GLU 35 H GLU 35 -14.012 0.210 -15.581 288 HA GLU 35 HA GLU 35 -14.599 -1.120 -18.080 289 HB2 GLU 35 2HB GLU 35 -15.707 -1.281 -15.293 290 HB3 GLU 35 3HB GLU 35 -16.557 -2.031 -16.637 291 HG2 GLU 35 2HG GLU 35 -13.685 -2.606 -15.966 292 HG3 GLU 35 3HG GLU 35 -15.041 -3.541 -15.339 293 H GLY 36 H GLY 36 -15.333 1.851 -16.828 294 HA2 GLY 36 2HA GLY 36 -16.670 3.453 -17.915 295 HA3 GLY 36 3HA GLY 36 -17.565 2.151 -18.685 296 H ILE 37 H ILE 37 -18.320 0.639 -16.507 297 HA ILE 37 HA ILE 37 -19.781 2.475 -14.751 298 HB ILE 37 HB ILE 37 -21.819 0.983 -15.031 299 HG12 ILE 37 2HG1 ILE 37 -20.619 0.298 -17.703 300 HG13 ILE 37 3HG1 ILE 37 -20.390 -0.754 -16.311 301 HG21 ILE 37 1HG2 ILE 37 -22.285 2.992 -15.941 302 HG22 ILE 37 2HG2 ILE 37 -20.794 3.031 -16.881 303 HG23 ILE 37 3HG2 ILE 37 -22.176 2.100 -17.458 304 HD11 ILE 37 1HD1 ILE 37 -22.774 -1.062 -16.112 305 HD12 ILE 37 2HD1 ILE 37 -23.056 0.072 -17.433 306 HD13 ILE 37 3HD1 ILE 37 -22.245 -1.463 -17.746 307 HA PRO 38 HA PRO 38 -18.813 -0.387 -11.565 308 HB2 PRO 38 2HB PRO 38 -20.953 -0.092 -9.921 309 HB3 PRO 38 3HB PRO 38 -19.695 1.138 -10.090 310 HG2 PRO 38 2HG PRO 38 -22.399 1.005 -11.368 311 HG3 PRO 38 3HG PRO 38 -21.570 2.396 -10.645 312 HD2 PRO 38 2HD PRO 38 -21.660 1.983 -13.319 313 HD3 PRO 38 3HD PRO 38 -20.279 2.761 -12.519 314 H GLY 39 H GLY 39 -19.035 -2.524 -11.176 315 HA2 GLY 39 2HA GLY 39 -20.599 -4.178 -12.741 316 HA3 GLY 39 3HA GLY 39 -19.904 -4.651 -11.198 317 H ASN 40 H ASN 40 -21.293 -3.032 -9.450 318 HA ASN 40 HA ASN 40 -24.036 -2.839 -9.766 319 HB2 ASN 40 2HB ASN 40 -23.170 -5.562 -9.490 320 HB3 ASN 40 3HB ASN 40 -24.113 -5.108 -8.073 321 HD21 ASN 40 1HD2 ASN 40 -26.194 -3.977 -8.563 322 HD22 ASN 40 2HD2 ASN 40 -27.115 -4.568 -9.900 323 H MET 41 H MET 41 -22.248 -4.485 -7.164 324 HA MET 41 HA MET 41 -23.068 -2.328 -5.349 325 HB2 MET 41 2HB MET 41 -22.501 -5.227 -5.012 326 HB3 MET 41 3HB MET 41 -22.101 -4.169 -3.666 327 HG2 MET 41 2HG MET 41 -24.512 -3.277 -3.977 328 HG3 MET 41 3HG MET 41 -24.765 -4.780 -4.862 329 HE1 MET 41 1HE MET 41 -23.966 -3.010 -1.649 330 HE2 MET 41 2HE MET 41 -25.675 -3.428 -1.521 331 HE3 MET 41 3HE MET 41 -24.508 -4.132 -0.401 332 H ILE 42 H ILE 42 -20.264 -4.135 -6.481 333 HA ILE 42 HA ILE 42 -18.018 -3.826 -6.204 334 HB ILE 42 HB ILE 42 -18.708 -0.893 -6.084 335 HG12 ILE 42 2HG1 ILE 42 -19.938 -1.882 -7.938 336 HG13 ILE 42 3HG1 ILE 42 -18.593 -0.931 -8.558 337 HG21 ILE 42 1HG2 ILE 42 -16.468 -0.834 -5.890 338 HG22 ILE 42 2HG2 ILE 42 -16.267 -2.471 -6.511 339 HG23 ILE 42 3HG2 ILE 42 -16.499 -1.127 -7.628 340 HD11 ILE 42 1HD1 ILE 42 -17.828 -2.684 -9.659 341 HD12 ILE 42 2HD1 ILE 42 -17.743 -3.627 -8.171 342 HD13 ILE 42 3HD1 ILE 42 -19.231 -3.604 -9.117 343 H ARG 43 H ARG 43 -18.853 -4.638 -3.877 344 HA ARG 43 HA ARG 43 -17.699 -2.771 -1.909 345 HB2 ARG 43 2HB ARG 43 -19.852 -4.854 -1.493 346 HB3 ARG 43 3HB ARG 43 -19.121 -3.894 -0.214 347 HG2 ARG 43 2HG ARG 43 -20.106 -2.201 -2.324 348 HG3 ARG 43 3HG ARG 43 -21.376 -3.267 -1.719 349 HD2 ARG 43 2HD ARG 43 -20.481 -2.533 0.619 350 HD3 ARG 43 3HD ARG 43 -19.802 -1.175 -0.278 351 HE ARG 43 HE ARG 43 -22.554 -1.545 -0.885 352 HH11 ARG 43 1HH1 ARG 43 -20.388 -0.289 1.533 353 HH12 ARG 43 2HH1 ARG 43 -21.530 0.862 2.146 354 HH21 ARG 43 1HH2 ARG 43 -24.066 -0.034 -0.088 355 HH22 ARG 43 2HH2 ARG 43 -23.622 1.005 1.223 356 H LEU 44 H LEU 44 -15.789 -3.413 -1.186 357 HA LEU 44 HA LEU 44 -15.142 -6.279 -1.231 358 HB2 LEU 44 2HB LEU 44 -12.800 -5.579 -1.159 359 HB3 LEU 44 3HB LEU 44 -13.653 -4.900 -2.544 360 HG LEU 44 HG LEU 44 -13.861 -2.932 -0.606 361 HD11 LEU 44 1HD1 LEU 44 -11.848 -4.566 0.297 362 HD12 LEU 44 2HD1 LEU 44 -12.058 -2.864 0.705 363 HD13 LEU 44 3HD1 LEU 44 -10.977 -3.328 -0.609 364 HD21 LEU 44 1HD2 LEU 44 -12.672 -1.635 -2.114 365 HD22 LEU 44 2HD2 LEU 44 -13.322 -2.917 -3.136 366 HD23 LEU 44 3HD2 LEU 44 -11.639 -2.976 -2.610 367 H VAL 45 H VAL 45 -13.922 -7.173 0.545 368 HA VAL 45 HA VAL 45 -14.469 -5.798 3.095 369 HB VAL 45 HB VAL 45 -14.347 -8.774 2.585 370 HG11 VAL 45 1HG1 VAL 45 -13.517 -8.214 4.795 371 HG12 VAL 45 2HG1 VAL 45 -14.950 -7.232 5.107 372 HG13 VAL 45 3HG1 VAL 45 -15.102 -8.979 4.915 373 HG21 VAL 45 1HG2 VAL 45 -16.410 -8.245 1.754 374 HG22 VAL 45 2HG2 VAL 45 -16.816 -8.428 3.460 375 HG23 VAL 45 3HG2 VAL 45 -16.580 -6.819 2.777 376 H TYR 46 H TYR 46 -12.702 -5.118 4.094 377 HA TYR 46 HA TYR 46 -10.133 -6.390 3.491 378 HB2 TYR 46 2HB TYR 46 -10.822 -3.745 3.611 379 HB3 TYR 46 3HB TYR 46 -10.131 -4.002 5.209 380 HD1 TYR 46 HD1 TYR 46 -9.218 -2.499 2.468 381 HD2 TYR 46 HD2 TYR 46 -8.009 -5.966 4.619 382 HE1 TYR 46 HE1 TYR 46 -6.958 -2.294 1.517 383 HE2 TYR 46 HE2 TYR 46 -5.747 -5.770 3.675 384 HH TYR 46 HH TYR 46 -5.012 -3.787 1.058 385 H GLN 47 H GLN 47 -9.450 -7.907 4.838 386 HA GLN 47 HA GLN 47 -9.094 -9.139 6.717 387 HB2 GLN 47 2HB GLN 47 -8.284 -6.574 7.262 388 HB3 GLN 47 3HB GLN 47 -9.377 -6.907 8.599 389 HG2 GLN 47 2HG GLN 47 -8.013 -8.458 9.515 390 HG3 GLN 47 3HG GLN 47 -7.399 -9.001 7.955 391 HE21 GLN 47 1HE2 GLN 47 -5.571 -8.104 7.132 392 HE22 GLN 47 2HE2 GLN 47 -4.599 -6.955 7.980 393 H GLY 48 H GLY 48 -11.812 -8.859 5.837 394 HA2 GLY 48 2HA GLY 48 -13.827 -9.700 6.603 395 HA3 GLY 48 3HA GLY 48 -13.125 -9.820 8.209 396 H LYS 49 H LYS 49 -12.645 -6.749 6.968 397 HA LYS 49 HA LYS 49 -15.010 -5.740 8.408 398 HB2 LYS 49 2HB LYS 49 -12.270 -5.194 8.812 399 HB3 LYS 49 3HB LYS 49 -12.963 -3.744 8.099 400 HG2 LYS 49 2HG LYS 49 -13.646 -3.183 10.129 401 HG3 LYS 49 3HG LYS 49 -14.799 -4.517 10.037 402 HD2 LYS 49 2HD LYS 49 -11.962 -4.817 11.013 403 HD3 LYS 49 3HD LYS 49 -13.339 -4.520 12.077 404 HE2 LYS 49 2HE LYS 49 -12.955 -6.886 10.246 405 HE3 LYS 49 3HE LYS 49 -12.833 -6.889 12.004 406 HZ1 LYS 49 1HZ LYS 49 -15.244 -6.578 10.329 407 HZ2 LYS 49 2HZ LYS 49 -15.228 -6.056 11.938 408 HZ3 LYS 49 3HZ LYS 49 -14.957 -7.686 11.575 409 H GLN 50 H GLN 50 -15.797 -3.603 7.658 410 HA GLN 50 HA GLN 50 -15.476 -3.324 4.742 411 HB2 GLN 50 2HB GLN 50 -17.960 -2.735 6.358 412 HB3 GLN 50 3HB GLN 50 -17.799 -2.626 4.610 413 HG2 GLN 50 2HG GLN 50 -17.509 -5.007 4.439 414 HG3 GLN 50 3HG GLN 50 -17.501 -5.166 6.195 415 HE21 GLN 50 1HE2 GLN 50 -19.554 -3.587 3.762 416 HE22 GLN 50 2HE2 GLN 50 -21.045 -4.212 4.370 417 H LEU 51 H LEU 51 -16.088 -1.107 3.940 418 HA LEU 51 HA LEU 51 -15.727 1.136 3.880 419 HB2 LEU 51 2HB LEU 51 -15.878 1.254 6.863 420 HB3 LEU 51 3HB LEU 51 -16.423 2.434 5.673 421 HG LEU 51 HG LEU 51 -17.758 -0.211 6.250 422 HD11 LEU 51 1HD1 LEU 51 -17.806 1.789 7.958 423 HD12 LEU 51 2HD1 LEU 51 -19.264 0.868 7.590 424 HD13 LEU 51 3HD1 LEU 51 -18.994 2.434 6.825 425 HD21 LEU 51 1HD2 LEU 51 -18.050 1.783 4.130 426 HD22 LEU 51 2HD2 LEU 51 -19.558 1.379 4.950 427 HD23 LEU 51 3HD2 LEU 51 -18.595 0.107 4.198 428 H GLU 52 H GLU 52 -13.607 1.087 3.196 429 HA GLU 52 HA GLU 52 -11.583 1.442 5.309 430 HB2 GLU 52 2HB GLU 52 -11.236 0.132 2.606 431 HB3 GLU 52 3HB GLU 52 -9.936 0.451 3.746 432 HG2 GLU 52 2HG GLU 52 -12.185 -1.509 3.964 433 HG3 GLU 52 3HG GLU 52 -10.448 -1.794 4.066 434 H ASP 53 H ASP 53 -13.269 2.972 2.951 435 HA ASP 53 HA ASP 53 -11.431 4.430 1.470 436 HB2 ASP 53 2HB ASP 53 -13.968 4.393 1.237 437 HB3 ASP 53 3HB ASP 53 -14.008 5.584 2.534 438 H GLU 54 H GLU 54 -12.624 4.974 4.742 439 HA GLU 54 HA GLU 54 -11.447 7.525 5.097 440 HB2 GLU 54 2HB GLU 54 -13.116 5.852 6.577 441 HB3 GLU 54 3HB GLU 54 -11.659 5.988 7.551 442 HG2 GLU 54 2HG GLU 54 -12.574 7.853 8.343 443 HG3 GLU 54 3HG GLU 54 -12.091 8.579 6.811 444 H LYS 55 H LYS 55 -10.162 4.355 5.077 445 HA LYS 55 HA LYS 55 -7.736 5.193 6.495 446 HB2 LYS 55 2HB LYS 55 -8.846 2.509 5.709 447 HB3 LYS 55 3HB LYS 55 -7.164 2.696 6.188 448 HG2 LYS 55 2HG LYS 55 -8.193 2.074 8.158 449 HG3 LYS 55 3HG LYS 55 -8.131 3.833 8.295 450 HD2 LYS 55 2HD LYS 55 -10.398 4.072 7.955 451 HD3 LYS 55 3HD LYS 55 -10.532 2.550 7.071 452 HE2 LYS 55 2HE LYS 55 -10.208 1.310 9.147 453 HE3 LYS 55 3HE LYS 55 -10.035 2.823 10.035 454 HZ1 LYS 55 1HZ LYS 55 -12.304 3.394 9.434 455 HZ2 LYS 55 2HZ LYS 55 -12.261 1.917 10.257 456 HZ3 LYS 55 3HZ LYS 55 -12.470 1.943 8.579 457 H ARG 56 H ARG 56 -8.265 6.285 3.923 458 HA ARG 56 HA ARG 56 -7.139 5.053 1.745 459 HB2 ARG 56 2HB ARG 56 -6.353 7.489 1.173 460 HB3 ARG 56 3HB ARG 56 -8.067 7.101 1.236 461 HG2 ARG 56 2HG ARG 56 -7.176 7.886 3.836 462 HG3 ARG 56 3HG ARG 56 -6.690 9.098 2.649 463 HD2 ARG 56 2HD ARG 56 -9.383 8.204 2.153 464 HD3 ARG 56 3HD ARG 56 -9.212 8.767 3.815 465 HE ARG 56 HE ARG 56 -8.073 10.554 1.877 466 HH11 ARG 56 1HH1 ARG 56 -10.988 9.617 3.533 467 HH12 ARG 56 2HH1 ARG 56 -11.752 11.160 3.335 468 HH21 ARG 56 1HH2 ARG 56 -9.068 12.589 1.609 469 HH22 ARG 56 2HH2 ARG 56 -10.659 12.849 2.239 470 H LEU 57 H LEU 57 -5.340 7.401 3.740 471 HA LEU 57 HA LEU 57 -2.816 6.526 2.766 472 HB2 LEU 57 2HB LEU 57 -3.554 8.799 3.816 473 HB3 LEU 57 3HB LEU 57 -3.130 8.016 5.336 474 HG LEU 57 HG LEU 57 -1.150 8.111 3.095 475 HD11 LEU 57 1HD1 LEU 57 -2.140 10.377 4.694 476 HD12 LEU 57 2HD1 LEU 57 -1.338 10.355 3.124 477 HD13 LEU 57 3HD1 LEU 57 -0.387 10.206 4.602 478 HD21 LEU 57 1HD2 LEU 57 0.234 8.432 5.357 479 HD22 LEU 57 2HD2 LEU 57 -0.207 6.847 4.721 480 HD23 LEU 57 3HD2 LEU 57 -1.169 7.582 6.005 481 H LYS 58 H LYS 58 -4.733 5.797 5.615 482 HA LYS 58 HA LYS 58 -2.798 4.504 7.157 483 HB2 LYS 58 2HB LYS 58 -5.631 4.845 7.206 484 HB3 LYS 58 3HB LYS 58 -5.278 3.144 7.480 485 HG2 LYS 58 2HG LYS 58 -3.523 4.825 9.031 486 HG3 LYS 58 3HG LYS 58 -5.219 5.199 9.351 487 HD2 LYS 58 2HD LYS 58 -4.210 2.370 9.323 488 HD3 LYS 58 3HD LYS 58 -4.099 3.376 10.769 489 HE2 LYS 58 2HE LYS 58 -6.662 3.800 10.169 490 HE3 LYS 58 3HE LYS 58 -6.476 2.208 9.435 491 HZ1 LYS 58 1HZ LYS 58 -5.618 2.743 12.213 492 HZ2 LYS 58 2HZ LYS 58 -5.935 1.253 11.478 493 HZ3 LYS 58 3HZ LYS 58 -7.210 2.301 11.848 494 H ASP 59 H ASP 59 -4.501 3.471 4.319 495 HA ASP 59 HA ASP 59 -3.836 0.679 4.660 496 HB2 ASP 59 2HB ASP 59 -5.401 2.292 2.739 497 HB3 ASP 59 3HB ASP 59 -4.623 0.859 2.073 498 H TYR 60 H TYR 60 -2.282 3.448 3.488 499 HA TYR 60 HA TYR 60 -0.646 2.137 1.515 500 HB2 TYR 60 2HB TYR 60 -1.189 4.515 1.292 501 HB3 TYR 60 3HB TYR 60 -0.371 4.858 2.812 502 HD1 TYR 60 HD1 TYR 60 1.851 5.519 2.774 503 HD2 TYR 60 HD2 TYR 60 0.280 3.384 -0.555 504 HE1 TYR 60 HE1 TYR 60 3.964 5.862 1.564 505 HE2 TYR 60 HE2 TYR 60 2.390 3.720 -1.773 506 HH TYR 60 HH TYR 60 4.959 4.169 -0.918 507 H GLN 61 H GLN 61 -0.557 2.599 4.914 508 HA GLN 61 HA GLN 61 2.299 2.228 5.161 509 HB2 GLN 61 2HB GLN 61 2.036 2.654 7.416 510 HB3 GLN 61 3HB GLN 61 0.678 3.543 6.739 511 HG2 GLN 61 2HG GLN 61 -0.687 1.426 7.184 512 HG3 GLN 61 3HG GLN 61 0.665 0.931 8.201 513 HE21 GLN 61 1HE2 GLN 61 -0.976 4.028 7.647 514 HE22 GLN 61 2HE2 GLN 61 -1.326 4.335 9.311 515 H MET 62 H MET 62 -0.347 0.227 4.667 516 HA MET 62 HA MET 62 0.602 -2.034 6.185 517 HB2 MET 62 2HB MET 62 -1.453 -2.119 3.986 518 HB3 MET 62 3HB MET 62 -1.288 -3.199 5.364 519 HG2 MET 62 2HG MET 62 -2.011 -0.289 5.593 520 HG3 MET 62 3HG MET 62 -3.190 -1.596 5.501 521 HE1 MET 62 1HE MET 62 -3.178 -3.249 8.862 522 HE2 MET 62 2HE MET 62 -3.997 -2.929 7.333 523 HE3 MET 62 3HE MET 62 -2.521 -3.896 7.358 524 H SER 63 H SER 63 0.157 -1.418 2.697 525 HA SER 63 HA SER 63 1.160 -2.320 0.860 526 HB2 SER 63 2HB SER 63 3.635 -2.541 2.576 527 HB3 SER 63 3HB SER 63 3.540 -2.269 0.836 528 HG SER 63 HG SER 63 3.984 -0.354 2.077 529 H ALA 64 H ALA 64 -0.174 -4.163 2.617 530 HA ALA 64 HA ALA 64 0.604 -6.598 1.478 531 HB1 ALA 64 1HB ALA 64 1.379 -7.726 3.622 532 HB2 ALA 64 2HB ALA 64 2.532 -6.659 2.819 533 HB3 ALA 64 3HB ALA 64 1.660 -6.100 4.246 534 H GLY 65 H GLY 65 -1.804 -5.307 1.773 535 HA2 GLY 65 2HA GLY 65 -3.218 -7.000 3.740 536 HA3 GLY 65 3HA GLY 65 -3.747 -5.385 3.294 537 H ALA 66 H ALA 66 -4.207 -8.638 2.766 538 HA ALA 66 HA ALA 66 -4.824 -8.759 0.028 539 HB1 ALA 66 1HB ALA 66 -5.163 -10.449 2.358 540 HB2 ALA 66 2HB ALA 66 -6.521 -10.578 1.240 541 HB3 ALA 66 3HB ALA 66 -4.880 -10.890 0.674 542 H THR 67 H THR 67 -6.593 -8.239 -1.134 543 HA THR 67 HA THR 67 -8.914 -7.156 0.327 544 HB THR 67 HB THR 67 -8.807 -6.009 -2.276 545 HG1 THR 67 HG1 THR 67 -6.588 -6.287 -2.315 546 HG21 THR 67 1HG2 THR 67 -8.154 -4.599 0.298 547 HG22 THR 67 2HG2 THR 67 -9.786 -5.161 -0.065 548 HG23 THR 67 3HG2 THR 67 -9.007 -3.977 -1.115 549 H PHE 68 H PHE 68 -10.925 -7.723 -0.380 550 HA PHE 68 HA PHE 68 -11.089 -9.442 -2.761 551 HB2 PHE 68 2HB PHE 68 -11.206 -11.015 -1.015 552 HB3 PHE 68 3HB PHE 68 -12.181 -9.953 -0.006 553 HD1 PHE 68 HD1 PHE 68 -12.318 -11.745 -3.269 554 HD2 PHE 68 HD2 PHE 68 -14.449 -10.321 0.129 555 HE1 PHE 68 HE1 PHE 68 -14.358 -12.851 -4.089 556 HE2 PHE 68 HE2 PHE 68 -16.491 -11.425 -0.685 557 HZ PHE 68 HZ PHE 68 -16.448 -12.693 -2.795 558 H HIS 69 H HIS 69 -12.322 -8.435 -4.197 559 HA HIS 69 HA HIS 69 -14.378 -6.571 -3.326 560 HB2 HIS 69 2HB HIS 69 -13.356 -7.281 -6.083 561 HB3 HIS 69 3HB HIS 69 -14.579 -6.057 -5.756 562 HD1 HIS 69 HD1 HIS 69 -13.510 -3.854 -6.068 563 HD2 HIS 69 HD2 HIS 69 -11.000 -6.521 -4.105 564 HE1 HIS 69 HE1 HIS 69 -11.446 -2.537 -5.494 565 H MET 70 H MET 70 -16.561 -6.770 -3.757 566 HA MET 70 HA MET 70 -17.454 -9.364 -4.823 567 HB2 MET 70 2HB MET 70 -17.667 -9.422 -2.399 568 HB3 MET 70 3HB MET 70 -18.560 -7.907 -2.416 569 HG2 MET 70 2HG MET 70 -20.467 -8.979 -2.710 570 HG3 MET 70 3HG MET 70 -19.840 -9.784 -4.147 571 HE1 MET 70 1HE MET 70 -21.978 -10.779 -1.958 572 HE2 MET 70 2HE MET 70 -21.385 -11.995 -0.827 573 HE3 MET 70 3HE MET 70 -21.077 -10.284 -0.524 574 H VAL 71 H VAL 71 -19.023 -9.271 -6.318 575 HA VAL 71 HA VAL 71 -20.440 -6.712 -6.677 576 HB VAL 71 HB VAL 71 -19.450 -8.539 -8.871 577 HG11 VAL 71 1HG1 VAL 71 -20.268 -6.797 -10.393 578 HG12 VAL 71 2HG1 VAL 71 -21.576 -7.504 -9.443 579 HG13 VAL 71 3HG1 VAL 71 -20.934 -5.916 -9.018 580 HG21 VAL 71 1HG2 VAL 71 -18.570 -5.745 -8.151 581 HG22 VAL 71 2HG2 VAL 71 -17.674 -7.216 -7.772 582 HG23 VAL 71 3HG2 VAL 71 -17.932 -6.749 -9.453 583 H VAL 72 H VAL 72 -22.497 -7.042 -6.147 584 HA VAL 72 HA VAL 72 -23.732 -9.647 -6.583 585 HB VAL 72 HB VAL 72 -25.174 -7.293 -5.417 586 HG11 VAL 72 1HG1 VAL 72 -25.848 -9.931 -5.881 587 HG12 VAL 72 2HG1 VAL 72 -25.463 -9.895 -4.159 588 HG13 VAL 72 3HG1 VAL 72 -26.692 -8.811 -4.812 589 HG21 VAL 72 1HG2 VAL 72 -24.315 -7.950 -3.188 590 HG22 VAL 72 2HG2 VAL 72 -23.171 -9.033 -3.981 591 HG23 VAL 72 3HG2 VAL 72 -23.066 -7.293 -4.245 592 H ALA 73 H ALA 73 -24.380 -9.942 -8.632 593 HA ALA 73 HA ALA 73 -26.072 -7.851 -9.837 594 HB1 ALA 73 1HB ALA 73 -23.899 -7.999 -10.973 595 HB2 ALA 73 2HB ALA 73 -24.203 -9.704 -11.310 596 HB3 ALA 73 3HB ALA 73 -25.233 -8.466 -12.029 597 H LEU 74 H LEU 74 -28.072 -8.650 -9.457 598 HA LEU 74 HA LEU 74 -28.606 -11.444 -10.206 599 HB2 LEU 74 2HB LEU 74 -29.814 -9.579 -8.224 600 HB3 LEU 74 3HB LEU 74 -30.834 -10.826 -8.939 601 HG LEU 74 HG LEU 74 -28.720 -12.315 -8.143 602 HD11 LEU 74 1HD1 LEU 74 -28.692 -9.824 -6.564 603 HD12 LEU 74 2HD1 LEU 74 -27.396 -10.968 -6.911 604 HD13 LEU 74 3HD1 LEU 74 -28.576 -11.329 -5.652 605 HD21 LEU 74 1HD2 LEU 74 -31.360 -11.627 -7.020 606 HD22 LEU 74 2HD2 LEU 74 -30.239 -12.440 -5.927 607 HD23 LEU 74 3HD2 LEU 74 -30.683 -13.195 -7.459 608 H ARG 75 H ARG 75 -29.394 -8.130 -10.873 609 HA ARG 75 HA ARG 75 -31.685 -8.778 -12.514 610 HB2 ARG 75 2HB ARG 75 -30.480 -6.374 -11.406 611 HB3 ARG 75 3HB ARG 75 -30.938 -6.161 -13.090 612 HG2 ARG 75 2HG ARG 75 -33.149 -6.267 -12.646 613 HG3 ARG 75 3HG ARG 75 -32.942 -7.439 -11.343 614 HD2 ARG 75 2HD ARG 75 -31.815 -5.422 -10.116 615 HD3 ARG 75 3HD ARG 75 -32.733 -4.462 -11.276 616 HE ARG 75 HE ARG 75 -34.370 -6.396 -9.977 617 HH11 ARG 75 1HH1 ARG 75 -32.868 -3.282 -9.569 618 HH12 ARG 75 2HH1 ARG 75 -34.036 -2.725 -8.417 619 HH21 ARG 75 1HH2 ARG 75 -35.914 -5.674 -8.461 620 HH22 ARG 75 2HH2 ARG 75 -35.767 -4.086 -7.787 621 H ALA 76 H ALA 76 -28.477 -7.335 -13.103 622 HA ALA 76 HA ALA 76 -28.136 -8.819 -15.527 623 HB1 ALA 76 1HB ALA 76 -29.659 -6.615 -15.889 624 HB2 ALA 76 2HB ALA 76 -28.048 -5.948 -16.158 625 HB3 ALA 76 3HB ALA 76 -28.611 -7.310 -17.127 626 H GLY 77 H GLY 77 -26.043 -8.473 -16.506 627 HA2 GLY 77 2HA GLY 77 -24.159 -6.682 -15.282 628 HA3 GLY 77 3HA GLY 77 -23.927 -8.351 -14.782 629 H CYS 78 H CYS 78 -24.319 -6.383 -17.722 630 HA CYS 78 HA CYS 78 -21.946 -7.368 -18.901 631 HB2 CYS 78 2HB CYS 78 -23.374 -9.397 -19.139 632 HB3 CYS 78 3HB CYS 78 -24.502 -8.450 -20.101 633 HG CYS 78 HG CYS 78 -21.272 -9.194 -20.953 Start of MODEL 13 1 H MET 1 H MET 1 1.731 0.074 0.845 2 HA MET 1 HA MET 1 1.877 1.000 -1.750 3 HB2 MET 1 2HB MET 1 3.752 0.461 -0.037 4 HB3 MET 1 3HB MET 1 3.748 -1.136 -0.774 5 HG2 MET 1 2HG MET 1 4.063 0.055 -2.993 6 HG3 MET 1 3HG MET 1 4.412 1.498 -2.043 7 HE1 MET 1 1HE MET 1 6.692 2.190 -1.839 8 HE2 MET 1 2HE MET 1 8.086 1.190 -2.245 9 HE3 MET 1 3HE MET 1 6.836 1.492 -3.453 10 H LEU 2 H LEU 2 2.283 -2.438 -0.887 11 HA LEU 2 HA LEU 2 1.207 -3.139 -3.530 12 HB2 LEU 2 2HB LEU 2 3.415 -3.993 -3.148 13 HB3 LEU 2 3HB LEU 2 2.931 -4.677 -1.598 14 HG LEU 2 HG LEU 2 1.510 -5.660 -4.007 15 HD11 LEU 2 1HD1 LEU 2 3.769 -7.303 -3.728 16 HD12 LEU 2 2HD1 LEU 2 4.369 -5.650 -3.848 17 HD13 LEU 2 3HD1 LEU 2 3.323 -6.300 -5.109 18 HD21 LEU 2 1HD2 LEU 2 0.774 -6.859 -2.243 19 HD22 LEU 2 2HD2 LEU 2 2.233 -6.567 -1.296 20 HD23 LEU 2 3HD2 LEU 2 2.230 -7.807 -2.551 21 H LEU 3 H LEU 3 -0.731 -4.052 -3.688 22 HA LEU 3 HA LEU 3 -1.808 -5.555 -1.417 23 HB2 LEU 3 2HB LEU 3 -3.804 -4.383 -1.301 24 HB3 LEU 3 3HB LEU 3 -2.593 -3.114 -1.480 25 HG LEU 3 HG LEU 3 -4.304 -4.178 -3.725 26 HD11 LEU 3 1HD1 LEU 3 -4.922 -1.504 -3.166 27 HD12 LEU 3 2HD1 LEU 3 -4.922 -2.338 -1.613 28 HD13 LEU 3 3HD1 LEU 3 -5.945 -2.921 -2.926 29 HD21 LEU 3 1HD2 LEU 3 -2.280 -3.295 -4.597 30 HD22 LEU 3 2HD2 LEU 3 -2.343 -1.903 -3.515 31 HD23 LEU 3 3HD2 LEU 3 -3.517 -2.059 -4.823 32 H LYS 4 H LYS 4 -3.332 -7.136 -1.961 33 HA LYS 4 HA LYS 4 -3.459 -7.754 -4.838 34 HB2 LYS 4 2HB LYS 4 -2.224 -9.444 -3.651 35 HB3 LYS 4 3HB LYS 4 -3.485 -9.580 -2.432 36 HG2 LYS 4 2HG LYS 4 -5.021 -10.418 -4.190 37 HG3 LYS 4 3HG LYS 4 -3.667 -10.400 -5.323 38 HD2 LYS 4 2HD LYS 4 -3.547 -11.893 -2.716 39 HD3 LYS 4 3HD LYS 4 -4.212 -12.619 -4.182 40 HE2 LYS 4 2HE LYS 4 -1.880 -11.628 -5.126 41 HE3 LYS 4 3HE LYS 4 -1.423 -11.997 -3.464 42 HZ1 LYS 4 1HZ LYS 4 -1.693 -14.215 -3.781 43 HZ2 LYS 4 2HZ LYS 4 -1.278 -13.788 -5.364 44 HZ3 LYS 4 3HZ LYS 4 -2.900 -14.034 -4.953 45 H VAL 5 H VAL 5 -5.374 -7.274 -5.678 46 HA VAL 5 HA VAL 5 -7.773 -7.498 -4.000 47 HB VAL 5 HB VAL 5 -8.901 -6.139 -5.699 48 HG11 VAL 5 1HG1 VAL 5 -8.003 -4.851 -3.969 49 HG12 VAL 5 2HG1 VAL 5 -6.345 -5.105 -4.517 50 HG13 VAL 5 3HG1 VAL 5 -7.428 -4.057 -5.435 51 HG21 VAL 5 1HG2 VAL 5 -7.490 -5.069 -7.477 52 HG22 VAL 5 2HG2 VAL 5 -6.227 -6.237 -7.085 53 HG23 VAL 5 3HG2 VAL 5 -7.783 -6.794 -7.700 54 H LYS 6 H LYS 6 -9.248 -9.031 -4.346 55 HA LYS 6 HA LYS 6 -9.194 -10.486 -6.904 56 HB2 LYS 6 2HB LYS 6 -9.794 -12.548 -5.546 57 HB3 LYS 6 3HB LYS 6 -8.136 -11.978 -5.403 58 HG2 LYS 6 2HG LYS 6 -9.632 -10.690 -3.387 59 HG3 LYS 6 3HG LYS 6 -10.071 -12.399 -3.358 60 HD2 LYS 6 2HD LYS 6 -7.235 -11.371 -3.353 61 HD3 LYS 6 3HD LYS 6 -8.132 -11.822 -1.901 62 HE2 LYS 6 2HE LYS 6 -8.459 -14.001 -3.558 63 HE3 LYS 6 3HE LYS 6 -6.799 -13.497 -3.875 64 HZ1 LYS 6 1HZ LYS 6 -7.181 -13.401 -1.122 65 HZ2 LYS 6 2HZ LYS 6 -6.213 -14.478 -1.996 66 HZ3 LYS 6 3HZ LYS 6 -7.819 -14.879 -1.646 67 H THR 7 H THR 7 -11.084 -10.387 -7.903 68 HA THR 7 HA THR 7 -13.455 -9.549 -6.450 69 HB THR 7 HB THR 7 -13.922 -10.192 -9.237 70 HG1 THR 7 HG1 THR 7 -12.378 -8.995 -10.177 71 HG21 THR 7 1HG2 THR 7 -15.059 -8.209 -9.215 72 HG22 THR 7 2HG2 THR 7 -13.854 -7.404 -8.208 73 HG23 THR 7 3HG2 THR 7 -15.010 -8.520 -7.480 74 H VAL 8 H VAL 8 -15.573 -10.641 -7.160 75 HA VAL 8 HA VAL 8 -15.478 -13.353 -6.319 76 HB VAL 8 HB VAL 8 -17.404 -11.827 -5.898 77 HG11 VAL 8 1HG1 VAL 8 -19.059 -11.499 -7.673 78 HG12 VAL 8 2HG1 VAL 8 -17.510 -10.761 -8.087 79 HG13 VAL 8 3HG1 VAL 8 -17.982 -12.294 -8.821 80 HG21 VAL 8 1HG2 VAL 8 -18.429 -14.192 -7.412 81 HG22 VAL 8 2HG2 VAL 8 -17.443 -14.427 -5.969 82 HG23 VAL 8 3HG2 VAL 8 -18.961 -13.537 -5.864 83 H SER 9 H SER 9 -14.923 -11.928 -9.304 84 HA SER 9 HA SER 9 -15.948 -14.124 -10.900 85 HB2 SER 9 2HB SER 9 -14.917 -11.422 -11.411 86 HB3 SER 9 3HB SER 9 -14.401 -12.618 -12.601 87 HG SER 9 HG SER 9 -16.662 -13.189 -12.783 88 H ASN 10 H ASN 10 -13.566 -14.141 -8.873 89 HA ASN 10 HA ASN 10 -11.681 -15.392 -8.622 90 HB2 ASN 10 2HB ASN 10 -13.167 -16.773 -10.517 91 HB3 ASN 10 3HB ASN 10 -11.583 -16.610 -11.269 92 HD21 ASN 10 1HD2 ASN 10 -13.408 -18.032 -8.710 93 HD22 ASN 10 2HD2 ASN 10 -12.170 -19.087 -8.128 94 H LYS 11 H LYS 11 -11.647 -12.732 -9.818 95 HA LYS 11 HA LYS 11 -9.244 -12.914 -11.507 96 HB2 LYS 11 2HB LYS 11 -11.266 -10.694 -11.175 97 HB3 LYS 11 3HB LYS 11 -9.777 -10.529 -12.096 98 HG2 LYS 11 2HG LYS 11 -10.502 -12.299 -13.605 99 HG3 LYS 11 3HG LYS 11 -11.988 -12.492 -12.673 100 HD2 LYS 11 2HD LYS 11 -12.751 -10.325 -13.282 101 HD3 LYS 11 3HD LYS 11 -11.179 -9.891 -13.958 102 HE2 LYS 11 2HE LYS 11 -11.878 -12.174 -15.346 103 HE3 LYS 11 3HE LYS 11 -13.408 -11.316 -15.169 104 HZ1 LYS 11 1HZ LYS 11 -12.063 -9.298 -15.970 105 HZ2 LYS 11 2HZ LYS 11 -12.536 -10.454 -17.110 106 HZ3 LYS 11 3HZ LYS 11 -10.946 -10.439 -16.532 107 H VAL 12 H VAL 12 -7.511 -12.892 -10.199 108 HA VAL 12 HA VAL 12 -7.435 -10.944 -7.998 109 HB VAL 12 HB VAL 12 -5.570 -13.273 -8.463 110 HG11 VAL 12 1HG1 VAL 12 -4.962 -12.901 -6.106 111 HG12 VAL 12 2HG1 VAL 12 -4.591 -11.507 -7.122 112 HG13 VAL 12 3HG1 VAL 12 -6.010 -11.484 -6.075 113 HG21 VAL 12 1HG2 VAL 12 -8.264 -13.218 -7.451 114 HG22 VAL 12 2HG2 VAL 12 -7.208 -14.598 -7.749 115 HG23 VAL 12 3HG2 VAL 12 -7.141 -13.755 -6.202 116 H ILE 13 H ILE 13 -6.186 -9.202 -8.153 117 HA ILE 13 HA ILE 13 -3.994 -9.211 -10.121 118 HB ILE 13 HB ILE 13 -5.904 -6.948 -9.534 119 HG12 ILE 13 2HG1 ILE 13 -6.811 -8.638 -11.052 120 HG13 ILE 13 3HG1 ILE 13 -6.465 -7.149 -11.925 121 HG21 ILE 13 1HG2 ILE 13 -3.204 -6.984 -10.678 122 HG22 ILE 13 2HG2 ILE 13 -4.402 -6.119 -11.640 123 HG23 ILE 13 3HG2 ILE 13 -4.117 -5.657 -9.962 124 HD11 ILE 13 1HD1 ILE 13 -5.545 -9.780 -12.451 125 HD12 ILE 13 2HD1 ILE 13 -5.250 -8.300 -13.363 126 HD13 ILE 13 3HD1 ILE 13 -4.155 -8.768 -12.062 127 H GLN 14 H GLN 14 -2.111 -9.010 -9.123 128 HA GLN 14 HA GLN 14 -1.998 -7.601 -6.552 129 HB2 GLN 14 2HB GLN 14 0.290 -8.704 -6.411 130 HB3 GLN 14 3HB GLN 14 -1.103 -9.774 -6.330 131 HG2 GLN 14 2HG GLN 14 -0.309 -10.948 -8.019 132 HG3 GLN 14 3HG GLN 14 -0.372 -9.521 -9.051 133 HE21 GLN 14 1HE2 GLN 14 1.529 -7.918 -8.019 134 HE22 GLN 14 2HE2 GLN 14 3.084 -8.660 -8.142 135 H ILE 15 H ILE 15 -1.326 -5.570 -6.581 136 HA ILE 15 HA ILE 15 0.650 -4.770 -8.617 137 HB ILE 15 HB ILE 15 -0.310 -2.480 -8.475 138 HG12 ILE 15 2HG1 ILE 15 -2.500 -3.871 -6.918 139 HG13 ILE 15 3HG1 ILE 15 -1.372 -2.685 -6.271 140 HG21 ILE 15 1HG2 ILE 15 -1.913 -2.877 -10.084 141 HG22 ILE 15 2HG2 ILE 15 -0.984 -4.374 -10.130 142 HG23 ILE 15 3HG2 ILE 15 -2.523 -4.318 -9.272 143 HD11 ILE 15 1HD1 ILE 15 -3.130 -1.321 -6.653 144 HD12 ILE 15 2HD1 ILE 15 -2.390 -1.235 -8.252 145 HD13 ILE 15 3HD1 ILE 15 -3.758 -2.311 -7.971 146 H THR 16 H THR 16 2.194 -3.184 -8.004 147 HA THR 16 HA THR 16 2.559 -2.935 -5.088 148 HB THR 16 HB THR 16 4.246 -4.438 -5.915 149 HG1 THR 16 HG1 THR 16 5.935 -3.381 -5.039 150 HG21 THR 16 1HG2 THR 16 5.699 -3.981 -7.732 151 HG22 THR 16 2HG2 THR 16 5.163 -2.304 -7.833 152 HG23 THR 16 3HG2 THR 16 4.074 -3.608 -8.304 153 H SER 17 H SER 17 1.138 -0.970 -5.954 154 HA SER 17 HA SER 17 2.738 1.338 -5.629 155 HB2 SER 17 2HB SER 17 3.415 1.177 -7.884 156 HB3 SER 17 3HB SER 17 1.809 0.684 -8.420 157 HG SER 17 HG SER 17 1.360 2.707 -8.690 158 H LEU 18 H LEU 18 1.108 1.492 -3.991 159 HA LEU 18 HA LEU 18 -1.548 2.282 -4.975 160 HB2 LEU 18 2HB LEU 18 -0.718 0.615 -2.849 161 HB3 LEU 18 3HB LEU 18 -1.448 2.049 -2.130 162 HG LEU 18 HG LEU 18 -2.738 0.095 -4.027 163 HD11 LEU 18 1HD1 LEU 18 -4.364 0.042 -2.027 164 HD12 LEU 18 2HD1 LEU 18 -3.023 0.737 -1.118 165 HD13 LEU 18 3HD1 LEU 18 -2.837 -0.831 -1.903 166 HD21 LEU 18 1HD2 LEU 18 -3.609 2.809 -3.096 167 HD22 LEU 18 2HD2 LEU 18 -4.784 1.568 -3.533 168 HD23 LEU 18 3HD2 LEU 18 -3.617 2.138 -4.727 169 H THR 19 H THR 19 -2.566 4.145 -4.092 170 HA THR 19 HA THR 19 -0.727 6.316 -3.638 171 HB THR 19 HB THR 19 -3.609 6.834 -3.269 172 HG1 THR 19 HG1 THR 19 -2.575 5.975 -5.786 173 HG21 THR 19 1HG2 THR 19 -2.851 8.475 -5.215 174 HG22 THR 19 2HG2 THR 19 -1.251 8.071 -4.593 175 HG23 THR 19 3HG2 THR 19 -2.456 8.792 -3.527 176 H ASP 20 H ASP 20 -1.519 8.001 -1.913 177 HA ASP 20 HA ASP 20 -2.021 6.565 0.611 178 HB2 ASP 20 2HB ASP 20 -0.329 7.691 1.708 179 HB3 ASP 20 3HB ASP 20 0.379 7.518 0.105 180 H ASP 21 H ASP 21 -3.235 8.737 -1.516 181 HA ASP 21 HA ASP 21 -4.366 10.555 0.465 182 HB2 ASP 21 2HB ASP 21 -4.692 10.505 -2.543 183 HB3 ASP 21 3HB ASP 21 -5.272 11.771 -1.465 184 H ASN 22 H ASN 22 -5.457 8.210 -1.968 185 HA ASN 22 HA ASN 22 -8.026 8.057 -0.531 186 HB2 ASN 22 2HB ASN 22 -7.419 8.237 -3.431 187 HB3 ASN 22 3HB ASN 22 -8.710 7.132 -2.965 188 HD21 ASN 22 1HD2 ASN 22 -10.245 8.145 -1.285 189 HD22 ASN 22 2HD2 ASN 22 -10.785 9.745 -1.652 190 H THR 23 H THR 23 -5.808 6.237 -2.636 191 HA THR 23 HA THR 23 -5.191 4.045 -2.666 192 HB THR 23 HB THR 23 -6.279 4.069 0.156 193 HG1 THR 23 HG1 THR 23 -4.504 5.271 0.280 194 HG21 THR 23 1HG2 THR 23 -5.200 1.913 -1.512 195 HG22 THR 23 2HG2 THR 23 -6.140 1.831 -0.022 196 HG23 THR 23 3HG2 THR 23 -4.397 2.087 0.048 197 H ILE 24 H ILE 24 -7.906 3.491 -0.487 198 HA ILE 24 HA ILE 24 -8.980 1.401 -2.017 199 HB ILE 24 HB ILE 24 -10.324 3.111 0.078 200 HG12 ILE 24 2HG1 ILE 24 -9.911 0.716 1.245 201 HG13 ILE 24 3HG1 ILE 24 -8.541 0.742 0.139 202 HG21 ILE 24 1HG2 ILE 24 -12.176 2.152 -0.795 203 HG22 ILE 24 2HG2 ILE 24 -11.275 0.830 -1.537 204 HG23 ILE 24 3HG2 ILE 24 -11.649 0.784 0.186 205 HD11 ILE 24 1HD1 ILE 24 -8.758 3.260 1.484 206 HD12 ILE 24 2HD1 ILE 24 -8.735 1.940 2.654 207 HD13 ILE 24 3HD1 ILE 24 -7.430 2.100 1.479 208 H ALA 25 H ALA 25 -10.390 4.637 -1.475 209 HA ALA 25 HA ALA 25 -12.437 4.477 -3.328 210 HB1 ALA 25 1HB ALA 25 -11.680 6.349 -1.584 211 HB2 ALA 25 2HB ALA 25 -11.091 7.099 -3.068 212 HB3 ALA 25 3HB ALA 25 -12.796 6.676 -2.911 213 H GLU 26 H GLU 26 -9.051 5.312 -3.815 214 HA GLU 26 HA GLU 26 -9.327 6.185 -6.503 215 HB2 GLU 26 2HB GLU 26 -7.355 6.445 -4.755 216 HB3 GLU 26 3HB GLU 26 -6.777 4.977 -5.529 217 HG2 GLU 26 2HG GLU 26 -7.384 6.540 -7.678 218 HG3 GLU 26 3HG GLU 26 -6.818 7.728 -6.505 219 H LEU 27 H LEU 27 -8.524 3.076 -5.021 220 HA LEU 27 HA LEU 27 -7.952 1.714 -7.433 221 HB2 LEU 27 2HB LEU 27 -7.912 1.134 -4.702 222 HB3 LEU 27 3HB LEU 27 -9.058 -0.009 -5.400 223 HG LEU 27 HG LEU 27 -6.140 0.318 -6.066 224 HD11 LEU 27 1HD1 LEU 27 -7.752 -1.998 -5.003 225 HD12 LEU 27 2HD1 LEU 27 -6.627 -1.001 -4.080 226 HD13 LEU 27 3HD1 LEU 27 -6.029 -2.028 -5.383 227 HD21 LEU 27 1HD2 LEU 27 -6.710 -1.709 -7.589 228 HD22 LEU 27 2HD2 LEU 27 -6.998 -0.070 -8.175 229 HD23 LEU 27 3HD2 LEU 27 -8.341 -1.038 -7.565 230 H LYS 28 H LYS 28 -10.880 1.808 -5.410 231 HA LYS 28 HA LYS 28 -12.447 0.187 -7.111 232 HB2 LYS 28 2HB LYS 28 -14.343 0.943 -5.807 233 HB3 LYS 28 3HB LYS 28 -12.985 0.628 -4.735 234 HG2 LYS 28 2HG LYS 28 -12.498 3.072 -4.748 235 HG3 LYS 28 3HG LYS 28 -13.992 3.309 -5.658 236 HD2 LYS 28 2HD LYS 28 -13.771 2.055 -2.921 237 HD3 LYS 28 3HD LYS 28 -14.328 3.695 -3.264 238 HE2 LYS 28 2HE LYS 28 -15.631 1.138 -4.197 239 HE3 LYS 28 3HE LYS 28 -16.208 2.183 -2.900 240 HZ1 LYS 28 1HZ LYS 28 -16.408 3.977 -4.576 241 HZ2 LYS 28 2HZ LYS 28 -17.438 2.668 -4.864 242 HZ3 LYS 28 3HZ LYS 28 -16.031 2.855 -5.785 243 H GLY 29 H GLY 29 -11.901 3.665 -6.951 244 HA2 GLY 29 2HA GLY 29 -13.938 4.399 -8.785 245 HA3 GLY 29 3HA GLY 29 -12.550 5.380 -8.337 246 H LYS 30 H LYS 30 -10.595 3.406 -9.191 247 HA LYS 30 HA LYS 30 -10.441 4.166 -11.946 248 HB2 LYS 30 2HB LYS 30 -8.726 2.511 -10.118 249 HB3 LYS 30 3HB LYS 30 -8.402 2.562 -11.846 250 HG2 LYS 30 2HG LYS 30 -8.737 5.174 -10.526 251 HG3 LYS 30 3HG LYS 30 -7.308 4.247 -10.065 252 HD2 LYS 30 2HD LYS 30 -7.880 4.370 -12.955 253 HD3 LYS 30 3HD LYS 30 -7.412 5.895 -12.201 254 HE2 LYS 30 2HE LYS 30 -5.284 5.259 -12.110 255 HE3 LYS 30 3HE LYS 30 -5.718 3.771 -11.271 256 HZ1 LYS 30 1HZ LYS 30 -5.184 4.221 -14.093 257 HZ2 LYS 30 2HZ LYS 30 -6.448 3.153 -13.743 258 HZ3 LYS 30 3HZ LYS 30 -4.896 2.853 -13.140 259 H LEU 31 H LEU 31 -11.341 1.272 -10.193 260 HA LEU 31 HA LEU 31 -11.287 -0.502 -12.408 261 HB2 LEU 31 2HB LEU 31 -11.381 -0.971 -9.848 262 HB3 LEU 31 3HB LEU 31 -13.125 -0.866 -10.079 263 HG LEU 31 HG LEU 31 -11.597 -2.703 -11.848 264 HD11 LEU 31 1HD1 LEU 31 -12.191 -3.254 -8.946 265 HD12 LEU 31 2HD1 LEU 31 -10.608 -3.225 -9.723 266 HD13 LEU 31 3HD1 LEU 31 -11.770 -4.486 -10.136 267 HD21 LEU 31 1HD2 LEU 31 -13.609 -3.658 -12.175 268 HD22 LEU 31 2HD2 LEU 31 -14.220 -2.119 -11.570 269 HD23 LEU 31 3HD2 LEU 31 -14.078 -3.501 -10.483 270 H GLU 32 H GLU 32 -13.844 1.434 -10.905 271 HA GLU 32 HA GLU 32 -15.936 0.486 -12.565 272 HB2 GLU 32 2HB GLU 32 -17.172 2.484 -11.755 273 HB3 GLU 32 3HB GLU 32 -16.461 1.533 -10.459 274 HG2 GLU 32 2HG GLU 32 -14.588 3.132 -10.356 275 HG3 GLU 32 3HG GLU 32 -15.388 4.108 -11.587 276 H GLU 33 H GLU 33 -13.787 3.292 -12.744 277 HA GLU 33 HA GLU 33 -15.004 4.444 -15.032 278 HB2 GLU 33 2HB GLU 33 -13.276 5.409 -13.274 279 HB3 GLU 33 3HB GLU 33 -12.103 4.857 -14.461 280 HG2 GLU 33 2HG GLU 33 -12.406 6.739 -15.573 281 HG3 GLU 33 3HG GLU 33 -14.064 6.240 -15.905 282 H SER 34 H SER 34 -12.492 2.048 -14.568 283 HA SER 34 HA SER 34 -11.448 2.040 -17.183 284 HB2 SER 34 2HB SER 34 -10.196 0.960 -15.452 285 HB3 SER 34 3HB SER 34 -11.547 -0.101 -15.052 286 HG SER 34 HG SER 34 -9.793 -0.191 -17.240 287 H GLU 35 H GLU 35 -14.045 0.155 -15.675 288 HA GLU 35 HA GLU 35 -14.639 -1.204 -18.163 289 HB2 GLU 35 2HB GLU 35 -15.789 -1.307 -15.388 290 HB3 GLU 35 3HB GLU 35 -16.610 -2.079 -16.736 291 HG2 GLU 35 2HG GLU 35 -13.769 -2.656 -15.936 292 HG3 GLU 35 3HG GLU 35 -15.163 -3.595 -15.406 293 H GLY 36 H GLY 36 -15.304 1.795 -16.949 294 HA2 GLY 36 2HA GLY 36 -16.604 3.421 -18.037 295 HA3 GLY 36 3HA GLY 36 -17.510 2.138 -18.824 296 H ILE 37 H ILE 37 -18.301 0.636 -16.633 297 HA ILE 37 HA ILE 37 -19.778 2.502 -14.922 298 HB ILE 37 HB ILE 37 -21.817 1.013 -15.208 299 HG12 ILE 37 2HG1 ILE 37 -20.669 0.295 -17.881 300 HG13 ILE 37 3HG1 ILE 37 -20.305 -0.710 -16.484 301 HG21 ILE 37 1HG2 ILE 37 -21.397 3.322 -16.218 302 HG22 ILE 37 2HG2 ILE 37 -21.092 2.468 -17.730 303 HG23 ILE 37 3HG2 ILE 37 -22.665 2.335 -16.945 304 HD11 ILE 37 1HD1 ILE 37 -22.473 -0.970 -18.131 305 HD12 ILE 37 2HD1 ILE 37 -22.321 -1.649 -16.510 306 HD13 ILE 37 3HD1 ILE 37 -23.137 -0.104 -16.746 307 HA PRO 38 HA PRO 38 -18.858 -0.317 -11.683 308 HB2 PRO 38 2HB PRO 38 -21.016 0.011 -10.069 309 HB3 PRO 38 3HB PRO 38 -19.751 1.234 -10.242 310 HG2 PRO 38 2HG PRO 38 -22.440 1.094 -11.549 311 HG3 PRO 38 3HG PRO 38 -21.614 2.492 -10.837 312 HD2 PRO 38 2HD PRO 38 -21.673 2.039 -13.506 313 HD3 PRO 38 3HD PRO 38 -20.299 2.823 -12.701 314 H GLY 39 H GLY 39 -19.055 -2.456 -11.359 315 HA2 GLY 39 2HA GLY 39 -20.662 -4.099 -12.888 316 HA3 GLY 39 3HA GLY 39 -19.922 -4.584 -11.369 317 H ASN 40 H ASN 40 -21.262 -2.983 -9.569 318 HA ASN 40 HA ASN 40 -24.020 -2.806 -9.814 319 HB2 ASN 40 2HB ASN 40 -23.148 -5.510 -9.604 320 HB3 ASN 40 3HB ASN 40 -23.958 -5.085 -8.099 321 HD21 ASN 40 1HD2 ASN 40 -26.124 -4.866 -8.067 322 HD22 ASN 40 2HD2 ASN 40 -27.145 -5.091 -9.443 323 H MET 41 H MET 41 -22.107 -4.395 -7.262 324 HA MET 41 HA MET 41 -22.914 -2.244 -5.434 325 HB2 MET 41 2HB MET 41 -22.405 -5.131 -5.133 326 HB3 MET 41 3HB MET 41 -21.773 -4.129 -3.833 327 HG2 MET 41 2HG MET 41 -24.031 -3.138 -3.573 328 HG3 MET 41 3HG MET 41 -24.625 -4.281 -4.776 329 HE1 MET 41 1HE MET 41 -26.313 -4.415 -2.660 330 HE2 MET 41 2HE MET 41 -26.038 -5.503 -1.300 331 HE3 MET 41 3HE MET 41 -25.342 -3.882 -1.287 332 H ILE 42 H ILE 42 -20.112 -4.025 -6.622 333 HA ILE 42 HA ILE 42 -17.864 -3.674 -6.410 334 HB ILE 42 HB ILE 42 -18.604 -0.752 -6.355 335 HG12 ILE 42 2HG1 ILE 42 -19.859 -1.812 -8.150 336 HG13 ILE 42 3HG1 ILE 42 -18.543 -0.861 -8.830 337 HG21 ILE 42 1HG2 ILE 42 -16.439 -0.351 -6.671 338 HG22 ILE 42 2HG2 ILE 42 -16.148 -2.051 -6.307 339 HG23 ILE 42 3HG2 ILE 42 -16.346 -1.530 -7.980 340 HD11 ILE 42 1HD1 ILE 42 -17.635 -3.526 -8.385 341 HD12 ILE 42 2HD1 ILE 42 -19.150 -3.562 -9.288 342 HD13 ILE 42 3HD1 ILE 42 -17.781 -2.634 -9.899 343 H ARG 43 H ARG 43 -18.624 -4.434 -4.039 344 HA ARG 43 HA ARG 43 -17.395 -2.518 -2.168 345 HB2 ARG 43 2HB ARG 43 -19.735 -4.370 -1.771 346 HB3 ARG 43 3HB ARG 43 -18.819 -3.733 -0.412 347 HG2 ARG 43 2HG ARG 43 -19.816 -1.791 -2.414 348 HG3 ARG 43 3HG ARG 43 -20.998 -2.547 -1.344 349 HD2 ARG 43 2HD ARG 43 -19.333 -1.898 0.535 350 HD3 ARG 43 3HD ARG 43 -18.681 -0.779 -0.662 351 HE ARG 43 HE ARG 43 -21.511 -0.547 -0.418 352 HH11 ARG 43 1HH1 ARG 43 -18.491 0.348 1.066 353 HH12 ARG 43 2HH1 ARG 43 -19.131 1.773 1.814 354 HH21 ARG 43 1HH2 ARG 43 -22.366 1.327 0.562 355 HH22 ARG 43 2HH2 ARG 43 -21.335 2.329 1.528 356 H LEU 44 H LEU 44 -15.542 -3.206 -1.342 357 HA LEU 44 HA LEU 44 -14.967 -6.088 -1.371 358 HB2 LEU 44 2HB LEU 44 -12.612 -5.451 -1.255 359 HB3 LEU 44 3HB LEU 44 -13.418 -4.742 -2.653 360 HG LEU 44 HG LEU 44 -13.646 -2.706 -0.906 361 HD11 LEU 44 1HD1 LEU 44 -11.761 -4.484 0.292 362 HD12 LEU 44 2HD1 LEU 44 -12.334 -2.918 0.866 363 HD13 LEU 44 3HD1 LEU 44 -10.935 -3.007 -0.204 364 HD21 LEU 44 1HD2 LEU 44 -11.165 -3.219 -2.538 365 HD22 LEU 44 2HD2 LEU 44 -11.858 -1.658 -2.098 366 HD23 LEU 44 3HD2 LEU 44 -12.711 -2.717 -3.222 367 H VAL 45 H VAL 45 -13.816 -7.012 0.433 368 HA VAL 45 HA VAL 45 -14.404 -5.631 2.970 369 HB VAL 45 HB VAL 45 -15.747 -7.653 2.690 370 HG11 VAL 45 1HG1 VAL 45 -14.971 -9.596 1.905 371 HG12 VAL 45 2HG1 VAL 45 -13.543 -8.683 1.416 372 HG13 VAL 45 3HG1 VAL 45 -13.552 -9.553 2.951 373 HG21 VAL 45 1HG2 VAL 45 -15.026 -8.837 4.765 374 HG22 VAL 45 2HG2 VAL 45 -13.565 -7.850 4.760 375 HG23 VAL 45 3HG2 VAL 45 -15.144 -7.086 4.937 376 H TYR 46 H TYR 46 -12.737 -5.136 4.233 377 HA TYR 46 HA TYR 46 -10.124 -6.336 3.619 378 HB2 TYR 46 2HB TYR 46 -10.814 -3.688 3.763 379 HB3 TYR 46 3HB TYR 46 -10.163 -3.978 5.372 380 HD1 TYR 46 HD1 TYR 46 -7.876 -5.387 5.334 381 HD2 TYR 46 HD2 TYR 46 -9.336 -2.976 2.147 382 HE1 TYR 46 HE1 TYR 46 -5.589 -5.181 4.451 383 HE2 TYR 46 HE2 TYR 46 -7.054 -2.765 1.254 384 HH TYR 46 HH TYR 46 -4.356 -3.383 2.940 385 H GLN 47 H GLN 47 -9.503 -7.880 4.965 386 HA GLN 47 HA GLN 47 -9.221 -9.141 6.838 387 HB2 GLN 47 2HB GLN 47 -8.413 -6.589 7.448 388 HB3 GLN 47 3HB GLN 47 -9.551 -6.935 8.743 389 HG2 GLN 47 2HG GLN 47 -7.320 -7.522 9.427 390 HG3 GLN 47 3HG GLN 47 -8.304 -8.977 9.277 391 HE21 GLN 47 1HE2 GLN 47 -5.748 -7.085 7.832 392 HE22 GLN 47 2HE2 GLN 47 -5.103 -8.350 6.848 393 H GLY 48 H GLY 48 -11.904 -8.825 5.869 394 HA2 GLY 48 2HA GLY 48 -13.945 -9.678 6.559 395 HA3 GLY 48 3HA GLY 48 -13.305 -9.794 8.192 396 H LYS 49 H LYS 49 -12.750 -6.728 7.008 397 HA LYS 49 HA LYS 49 -15.165 -5.711 8.356 398 HB2 LYS 49 2HB LYS 49 -12.392 -5.103 8.709 399 HB3 LYS 49 3HB LYS 49 -13.211 -3.663 8.116 400 HG2 LYS 49 2HG LYS 49 -13.886 -3.264 10.184 401 HG3 LYS 49 3HG LYS 49 -14.877 -4.723 10.102 402 HD2 LYS 49 2HD LYS 49 -11.972 -4.702 10.909 403 HD3 LYS 49 3HD LYS 49 -13.313 -4.631 12.054 404 HE2 LYS 49 2HE LYS 49 -13.497 -6.792 10.077 405 HE3 LYS 49 3HE LYS 49 -12.128 -6.921 11.180 406 HZ1 LYS 49 1HZ LYS 49 -14.803 -6.352 12.258 407 HZ2 LYS 49 2HZ LYS 49 -13.494 -7.127 12.995 408 HZ3 LYS 49 3HZ LYS 49 -14.406 -7.938 11.824 409 H GLN 50 H GLN 50 -15.943 -3.585 7.569 410 HA GLN 50 HA GLN 50 -15.565 -3.333 4.657 411 HB2 GLN 50 2HB GLN 50 -18.078 -2.868 6.272 412 HB3 GLN 50 3HB GLN 50 -17.913 -2.544 4.551 413 HG2 GLN 50 2HG GLN 50 -17.832 -4.787 4.001 414 HG3 GLN 50 3HG GLN 50 -17.349 -5.272 5.626 415 HE21 GLN 50 1HE2 GLN 50 -19.728 -5.662 3.589 416 HE22 GLN 50 2HE2 GLN 50 -21.098 -5.660 4.641 417 H LEU 51 H LEU 51 -16.267 -1.111 3.848 418 HA LEU 51 HA LEU 51 -15.919 1.134 3.775 419 HB2 LEU 51 2HB LEU 51 -16.045 1.257 6.759 420 HB3 LEU 51 3HB LEU 51 -16.615 2.427 5.571 421 HG LEU 51 HG LEU 51 -18.177 0.177 5.114 422 HD11 LEU 51 1HD1 LEU 51 -17.858 -1.026 7.015 423 HD12 LEU 51 2HD1 LEU 51 -19.103 0.078 7.599 424 HD13 LEU 51 3HD1 LEU 51 -17.407 0.386 7.970 425 HD21 LEU 51 1HD2 LEU 51 -18.674 2.720 6.647 426 HD22 LEU 51 2HD2 LEU 51 -19.948 1.578 6.217 427 HD23 LEU 51 3HD2 LEU 51 -19.026 2.390 4.951 428 H GLU 52 H GLU 52 -13.805 1.108 3.072 429 HA GLU 52 HA GLU 52 -11.762 1.464 5.167 430 HB2 GLU 52 2HB GLU 52 -11.446 0.214 2.432 431 HB3 GLU 52 3HB GLU 52 -10.123 0.545 3.541 432 HG2 GLU 52 2HG GLU 52 -12.319 -1.470 3.786 433 HG3 GLU 52 3HG GLU 52 -10.574 -1.713 3.846 434 H ASP 53 H ASP 53 -13.501 3.025 2.867 435 HA ASP 53 HA ASP 53 -11.696 4.548 1.407 436 HB2 ASP 53 2HB ASP 53 -14.282 4.443 1.279 437 HB3 ASP 53 3HB ASP 53 -14.243 5.727 2.485 438 H GLU 54 H GLU 54 -12.821 4.932 4.712 439 HA GLU 54 HA GLU 54 -11.687 7.517 5.106 440 HB2 GLU 54 2HB GLU 54 -13.395 5.849 6.532 441 HB3 GLU 54 3HB GLU 54 -11.948 5.927 7.528 442 HG2 GLU 54 2HG GLU 54 -13.178 7.688 8.333 443 HG3 GLU 54 3HG GLU 54 -12.133 8.483 7.157 444 H LYS 55 H LYS 55 -10.406 4.351 5.036 445 HA LYS 55 HA LYS 55 -8.002 5.153 6.512 446 HB2 LYS 55 2HB LYS 55 -9.112 2.490 5.663 447 HB3 LYS 55 3HB LYS 55 -7.433 2.658 6.160 448 HG2 LYS 55 2HG LYS 55 -8.515 1.987 8.097 449 HG3 LYS 55 3HG LYS 55 -8.382 3.737 8.287 450 HD2 LYS 55 2HD LYS 55 -10.639 4.081 7.900 451 HD3 LYS 55 3HD LYS 55 -10.826 2.555 7.033 452 HE2 LYS 55 2HE LYS 55 -11.141 1.366 8.930 453 HE3 LYS 55 3HE LYS 55 -10.000 2.340 9.856 454 HZ1 LYS 55 1HZ LYS 55 -12.001 2.900 10.801 455 HZ2 LYS 55 2HZ LYS 55 -12.856 2.817 9.345 456 HZ3 LYS 55 3HZ LYS 55 -11.836 4.131 9.653 457 H ARG 56 H ARG 56 -8.495 6.292 3.950 458 HA ARG 56 HA ARG 56 -7.319 5.085 1.777 459 HB2 ARG 56 2HB ARG 56 -6.564 7.544 1.242 460 HB3 ARG 56 3HB ARG 56 -8.269 7.117 1.255 461 HG2 ARG 56 2HG ARG 56 -7.428 7.910 3.882 462 HG3 ARG 56 3HG ARG 56 -7.005 9.148 2.697 463 HD2 ARG 56 2HD ARG 56 -9.544 8.441 1.942 464 HD3 ARG 56 3HD ARG 56 -9.621 8.315 3.699 465 HE ARG 56 HE ARG 56 -8.405 10.749 2.800 466 HH11 ARG 56 1HH1 ARG 56 -11.431 9.157 3.454 467 HH12 ARG 56 2HH1 ARG 56 -12.295 10.632 3.735 468 HH21 ARG 56 1HH2 ARG 56 -9.532 12.697 3.168 469 HH22 ARG 56 2HH2 ARG 56 -11.215 12.645 3.572 470 H LEU 57 H LEU 57 -5.599 7.459 3.810 471 HA LEU 57 HA LEU 57 -3.043 6.635 2.879 472 HB2 LEU 57 2HB LEU 57 -3.824 8.890 3.910 473 HB3 LEU 57 3HB LEU 57 -3.453 8.111 5.447 474 HG LEU 57 HG LEU 57 -1.396 8.254 3.272 475 HD11 LEU 57 1HD1 LEU 57 -2.135 10.533 3.538 476 HD12 LEU 57 2HD1 LEU 57 -0.567 10.331 4.319 477 HD13 LEU 57 3HD1 LEU 57 -2.035 10.397 5.294 478 HD21 LEU 57 1HD2 LEU 57 -1.528 7.261 5.938 479 HD22 LEU 57 2HD2 LEU 57 -0.381 8.600 5.889 480 HD23 LEU 57 3HD2 LEU 57 -0.175 7.221 4.807 481 H LYS 58 H LYS 58 -4.988 5.865 5.701 482 HA LYS 58 HA LYS 58 -3.048 4.586 7.253 483 HB2 LYS 58 2HB LYS 58 -5.886 4.904 7.287 484 HB3 LYS 58 3HB LYS 58 -5.516 3.208 7.570 485 HG2 LYS 58 2HG LYS 58 -3.765 4.851 9.130 486 HG3 LYS 58 3HG LYS 58 -5.444 5.318 9.412 487 HD2 LYS 58 2HD LYS 58 -6.035 3.172 10.146 488 HD3 LYS 58 3HD LYS 58 -4.586 2.440 9.451 489 HE2 LYS 58 2HE LYS 58 -3.200 3.519 11.105 490 HE3 LYS 58 3HE LYS 58 -4.586 4.401 11.743 491 HZ1 LYS 58 1HZ LYS 58 -5.291 1.739 11.820 492 HZ2 LYS 58 2HZ LYS 58 -4.876 2.719 13.134 493 HZ3 LYS 58 3HZ LYS 58 -3.691 1.784 12.370 494 H ASP 59 H ASP 59 -4.740 3.547 4.409 495 HA ASP 59 HA ASP 59 -4.035 0.760 4.748 496 HB2 ASP 59 2HB ASP 59 -5.615 2.350 2.800 497 HB3 ASP 59 3HB ASP 59 -4.872 0.871 2.197 498 H TYR 60 H TYR 60 -2.591 3.568 3.475 499 HA TYR 60 HA TYR 60 -0.941 2.265 1.517 500 HB2 TYR 60 2HB TYR 60 -1.550 4.624 1.266 501 HB3 TYR 60 3HB TYR 60 -0.715 5.012 2.766 502 HD1 TYR 60 HD1 TYR 60 0.114 3.139 -0.370 503 HD2 TYR 60 HD2 TYR 60 1.292 6.088 2.462 504 HE1 TYR 60 HE1 TYR 60 2.193 3.509 -1.630 505 HE2 TYR 60 HE2 TYR 60 3.374 6.467 1.208 506 HH TYR 60 HH TYR 60 4.711 5.665 -0.426 507 H GLN 61 H GLN 61 -0.805 2.796 4.907 508 HA GLN 61 HA GLN 61 2.062 2.497 5.110 509 HB2 GLN 61 2HB GLN 61 1.800 2.819 7.425 510 HB3 GLN 61 3HB GLN 61 0.581 3.853 6.691 511 HG2 GLN 61 2HG GLN 61 -0.776 2.913 8.198 512 HG3 GLN 61 3HG GLN 61 -0.842 1.588 7.038 513 HE21 GLN 61 1HE2 GLN 61 0.027 -0.348 7.558 514 HE22 GLN 61 2HE2 GLN 61 0.750 -0.708 9.085 515 H MET 62 H MET 62 -0.529 0.420 4.678 516 HA MET 62 HA MET 62 0.436 -1.785 6.248 517 HB2 MET 62 2HB MET 62 -1.518 -1.952 3.960 518 HB3 MET 62 3HB MET 62 -1.373 -3.028 5.343 519 HG2 MET 62 2HG MET 62 -2.129 -0.141 5.639 520 HG3 MET 62 3HG MET 62 -3.319 -1.402 5.326 521 HE1 MET 62 1HE MET 62 -4.676 -1.019 7.983 522 HE2 MET 62 2HE MET 62 -4.550 -2.334 6.815 523 HE3 MET 62 3HE MET 62 -4.276 -2.647 8.530 524 H SER 63 H SER 63 0.133 -1.257 2.730 525 HA SER 63 HA SER 63 1.242 -2.173 0.961 526 HB2 SER 63 2HB SER 63 3.659 -2.281 2.762 527 HB3 SER 63 3HB SER 63 3.604 -2.002 1.021 528 HG SER 63 HG SER 63 2.461 -0.239 2.923 529 H ALA 64 H ALA 64 -0.090 -4.016 2.733 530 HA ALA 64 HA ALA 64 0.798 -6.450 1.683 531 HB1 ALA 64 1HB ALA 64 2.696 -6.443 3.048 532 HB2 ALA 64 2HB ALA 64 1.806 -5.820 4.438 533 HB3 ALA 64 3HB ALA 64 1.552 -7.480 3.900 534 H GLY 65 H GLY 65 -1.658 -5.240 1.897 535 HA2 GLY 65 2HA GLY 65 -3.052 -6.974 3.844 536 HA3 GLY 65 3HA GLY 65 -3.607 -5.356 3.437 537 H ALA 66 H ALA 66 -4.106 -8.566 2.877 538 HA ALA 66 HA ALA 66 -4.657 -8.673 0.118 539 HB1 ALA 66 1HB ALA 66 -6.407 -10.463 1.338 540 HB2 ALA 66 2HB ALA 66 -4.791 -10.809 0.720 541 HB3 ALA 66 3HB ALA 66 -5.015 -10.380 2.417 542 H THR 67 H THR 67 -6.421 -8.174 -1.074 543 HA THR 67 HA THR 67 -8.738 -7.032 0.347 544 HB THR 67 HB THR 67 -8.594 -5.931 -2.273 545 HG1 THR 67 HG1 THR 67 -6.253 -5.316 -0.799 546 HG21 THR 67 1HG2 THR 67 -9.603 -4.470 -0.884 547 HG22 THR 67 2HG2 THR 67 -7.966 -3.885 -0.586 548 HG23 THR 67 3HG2 THR 67 -8.706 -5.039 0.523 549 H PHE 68 H PHE 68 -10.752 -7.577 -0.372 550 HA PHE 68 HA PHE 68 -10.918 -9.340 -2.721 551 HB2 PHE 68 2HB PHE 68 -11.046 -10.834 -0.872 552 HB3 PHE 68 3HB PHE 68 -12.133 -9.765 0.007 553 HD1 PHE 68 HD1 PHE 68 -14.401 -10.172 -0.045 554 HD2 PHE 68 HD2 PHE 68 -11.941 -11.737 -3.146 555 HE1 PHE 68 HE1 PHE 68 -16.335 -11.382 -0.964 556 HE2 PHE 68 HE2 PHE 68 -13.871 -12.949 -4.070 557 HZ PHE 68 HZ PHE 68 -16.073 -12.772 -2.980 558 H HIS 69 H HIS 69 -12.125 -8.350 -4.189 559 HA HIS 69 HA HIS 69 -14.155 -6.431 -3.379 560 HB2 HIS 69 2HB HIS 69 -13.117 -7.220 -6.107 561 HB3 HIS 69 3HB HIS 69 -14.330 -5.975 -5.825 562 HD1 HIS 69 HD1 HIS 69 -13.227 -3.797 -6.190 563 HD2 HIS 69 HD2 HIS 69 -10.781 -6.434 -4.110 564 HE1 HIS 69 HE1 HIS 69 -11.156 -2.488 -5.623 565 H MET 70 H MET 70 -16.337 -6.608 -3.807 566 HA MET 70 HA MET 70 -17.267 -9.206 -4.832 567 HB2 MET 70 2HB MET 70 -17.486 -9.202 -2.401 568 HB3 MET 70 3HB MET 70 -18.375 -7.686 -2.464 569 HG2 MET 70 2HG MET 70 -20.285 -8.753 -2.768 570 HG3 MET 70 3HG MET 70 -19.634 -9.622 -4.155 571 HE1 MET 70 1HE MET 70 -18.927 -10.397 0.102 572 HE2 MET 70 2HE MET 70 -20.059 -9.226 -0.574 573 HE3 MET 70 3HE MET 70 -20.630 -10.819 -0.076 574 H VAL 71 H VAL 71 -18.739 -9.081 -6.404 575 HA VAL 71 HA VAL 71 -20.321 -6.621 -6.683 576 HB VAL 71 HB VAL 71 -18.922 -8.007 -8.974 577 HG11 VAL 71 1HG1 VAL 71 -20.272 -6.907 -10.354 578 HG12 VAL 71 2HG1 VAL 71 -21.236 -6.432 -8.955 579 HG13 VAL 71 3HG1 VAL 71 -19.945 -5.380 -9.535 580 HG21 VAL 71 1HG2 VAL 71 -18.310 -5.494 -7.453 581 HG22 VAL 71 2HG2 VAL 71 -17.236 -6.836 -7.851 582 HG23 VAL 71 3HG2 VAL 71 -17.763 -5.723 -9.114 583 H VAL 72 H VAL 72 -22.359 -7.258 -6.436 584 HA VAL 72 HA VAL 72 -23.193 -9.840 -7.568 585 HB VAL 72 HB VAL 72 -23.691 -9.719 -5.235 586 HG11 VAL 72 1HG1 VAL 72 -25.568 -7.647 -4.969 587 HG12 VAL 72 2HG1 VAL 72 -23.959 -7.745 -4.251 588 HG13 VAL 72 3HG1 VAL 72 -24.183 -6.954 -5.812 589 HG21 VAL 72 1HG2 VAL 72 -25.508 -10.386 -7.061 590 HG22 VAL 72 2HG2 VAL 72 -25.848 -10.437 -5.331 591 HG23 VAL 72 3HG2 VAL 72 -26.380 -9.059 -6.294 592 H ALA 73 H ALA 73 -23.979 -9.625 -9.563 593 HA ALA 73 HA ALA 73 -25.838 -7.397 -10.089 594 HB1 ALA 73 1HB ALA 73 -23.844 -8.683 -11.944 595 HB2 ALA 73 2HB ALA 73 -25.124 -7.595 -12.483 596 HB3 ALA 73 3HB ALA 73 -23.876 -7.011 -11.383 597 H LEU 74 H LEU 74 -27.778 -8.374 -9.799 598 HA LEU 74 HA LEU 74 -28.285 -10.864 -11.285 599 HB2 LEU 74 2HB LEU 74 -30.019 -11.366 -9.737 600 HB3 LEU 74 3HB LEU 74 -28.579 -10.937 -8.817 601 HG LEU 74 HG LEU 74 -30.002 -8.553 -9.061 602 HD11 LEU 74 1HD1 LEU 74 -31.828 -10.900 -8.647 603 HD12 LEU 74 2HD1 LEU 74 -32.016 -9.536 -9.749 604 HD13 LEU 74 3HD1 LEU 74 -32.199 -9.297 -8.011 605 HD21 LEU 74 1HD2 LEU 74 -30.350 -10.240 -6.644 606 HD22 LEU 74 2HD2 LEU 74 -29.866 -8.550 -6.788 607 HD23 LEU 74 3HD2 LEU 74 -28.705 -9.834 -7.133 608 H ARG 75 H ARG 75 -29.226 -7.557 -10.851 609 HA ARG 75 HA ARG 75 -31.669 -7.817 -12.377 610 HB2 ARG 75 2HB ARG 75 -30.821 -6.029 -10.493 611 HB3 ARG 75 3HB ARG 75 -30.561 -5.122 -11.976 612 HG2 ARG 75 2HG ARG 75 -32.698 -4.541 -11.841 613 HG3 ARG 75 3HG ARG 75 -33.077 -6.198 -12.314 614 HD2 ARG 75 2HD ARG 75 -32.616 -6.432 -9.620 615 HD3 ARG 75 3HD ARG 75 -33.398 -4.856 -9.739 616 HE ARG 75 HE ARG 75 -34.995 -6.428 -11.238 617 HH11 ARG 75 1HH1 ARG 75 -33.713 -6.739 -8.016 618 HH12 ARG 75 2HH1 ARG 75 -35.064 -7.648 -7.425 619 HH21 ARG 75 1HH2 ARG 75 -36.780 -7.625 -10.472 620 HH22 ARG 75 2HH2 ARG 75 -36.808 -8.152 -8.823 621 H ALA 76 H ALA 76 -28.620 -6.014 -12.825 622 HA ALA 76 HA ALA 76 -28.521 -6.723 -15.612 623 HB1 ALA 76 1HB ALA 76 -30.072 -4.560 -15.098 624 HB2 ALA 76 2HB ALA 76 -28.501 -3.799 -15.348 625 HB3 ALA 76 3HB ALA 76 -29.193 -4.824 -16.605 626 H GLY 77 H GLY 77 -26.572 -5.882 -16.678 627 HA2 GLY 77 2HA GLY 77 -24.436 -4.811 -16.566 628 HA3 GLY 77 3HA GLY 77 -24.521 -4.901 -14.813 629 H CYS 78 H CYS 78 -25.356 -7.639 -16.795 630 HA CYS 78 HA CYS 78 -23.349 -9.239 -15.513 631 HB2 CYS 78 2HB CYS 78 -25.782 -9.827 -16.491 632 HB3 CYS 78 3HB CYS 78 -24.804 -10.297 -17.875 633 HG CYS 78 HG CYS 78 -23.386 -12.251 -16.615 Start of MODEL 14 1 H MET 1 H MET 1 1.364 0.203 0.941 2 HA MET 1 HA MET 1 1.372 1.074 -1.635 3 HB2 MET 1 2HB MET 1 3.342 0.637 -0.017 4 HB3 MET 1 3HB MET 1 3.396 -0.962 -0.746 5 HG2 MET 1 2HG MET 1 4.405 -0.209 -2.576 6 HG3 MET 1 3HG MET 1 3.299 1.155 -2.726 7 HE1 MET 1 1HE MET 1 7.485 0.973 -1.182 8 HE2 MET 1 2HE MET 1 6.406 0.354 0.068 9 HE3 MET 1 3HE MET 1 6.387 -0.358 -1.546 10 H LEU 2 H LEU 2 2.036 -2.347 -0.875 11 HA LEU 2 HA LEU 2 0.912 -3.062 -3.491 12 HB2 LEU 2 2HB LEU 2 3.169 -3.807 -3.179 13 HB3 LEU 2 3HB LEU 2 2.762 -4.537 -1.628 14 HG LEU 2 HG LEU 2 1.356 -5.551 -4.041 15 HD11 LEU 2 1HD1 LEU 2 3.705 -7.088 -3.719 16 HD12 LEU 2 2HD1 LEU 2 4.194 -5.405 -3.914 17 HD13 LEU 2 3HD1 LEU 2 3.178 -6.174 -5.132 18 HD21 LEU 2 1HD2 LEU 2 0.689 -6.591 -2.068 19 HD22 LEU 2 2HD2 LEU 2 2.328 -6.625 -1.417 20 HD23 LEU 2 3HD2 LEU 2 1.880 -7.707 -2.737 21 H LEU 3 H LEU 3 -1.003 -4.021 -3.602 22 HA LEU 3 HA LEU 3 -1.930 -5.658 -1.359 23 HB2 LEU 3 2HB LEU 3 -3.934 -4.557 -1.076 24 HB3 LEU 3 3HB LEU 3 -2.806 -3.227 -1.329 25 HG LEU 3 HG LEU 3 -4.648 -4.361 -3.432 26 HD11 LEU 3 1HD1 LEU 3 -5.410 -2.863 -1.299 27 HD12 LEU 3 2HD1 LEU 3 -6.215 -2.862 -2.868 28 HD13 LEU 3 3HD1 LEU 3 -5.029 -1.614 -2.485 29 HD21 LEU 3 1HD2 LEU 3 -2.791 -1.986 -3.421 30 HD22 LEU 3 2HD2 LEU 3 -4.007 -2.299 -4.660 31 HD23 LEU 3 3HD2 LEU 3 -2.672 -3.428 -4.429 32 H LYS 4 H LYS 4 -3.443 -7.258 -1.912 33 HA LYS 4 HA LYS 4 -3.612 -7.791 -4.803 34 HB2 LYS 4 2HB LYS 4 -2.353 -9.497 -3.653 35 HB3 LYS 4 3HB LYS 4 -3.620 -9.682 -2.447 36 HG2 LYS 4 2HG LYS 4 -5.137 -10.466 -4.261 37 HG3 LYS 4 3HG LYS 4 -3.755 -10.433 -5.358 38 HD2 LYS 4 2HD LYS 4 -3.736 -11.983 -2.780 39 HD3 LYS 4 3HD LYS 4 -4.320 -12.673 -4.296 40 HE2 LYS 4 2HE LYS 4 -2.091 -12.026 -5.297 41 HE3 LYS 4 3HE LYS 4 -1.553 -11.672 -3.656 42 HZ1 LYS 4 1HZ LYS 4 -2.458 -14.085 -3.249 43 HZ2 LYS 4 2HZ LYS 4 -0.895 -13.826 -3.841 44 HZ3 LYS 4 3HZ LYS 4 -2.141 -14.253 -4.903 45 H VAL 5 H VAL 5 -5.537 -7.288 -5.609 46 HA VAL 5 HA VAL 5 -7.921 -7.579 -3.921 47 HB VAL 5 HB VAL 5 -9.070 -6.194 -5.605 48 HG11 VAL 5 1HG1 VAL 5 -6.619 -5.221 -4.213 49 HG12 VAL 5 2HG1 VAL 5 -7.514 -4.116 -5.258 50 HG13 VAL 5 3HG1 VAL 5 -8.315 -4.873 -3.881 51 HG21 VAL 5 1HG2 VAL 5 -8.238 -6.090 -7.664 52 HG22 VAL 5 2HG2 VAL 5 -6.952 -5.059 -7.038 53 HG23 VAL 5 3HG2 VAL 5 -6.712 -6.803 -7.140 54 H LYS 6 H LYS 6 -9.358 -9.140 -4.283 55 HA LYS 6 HA LYS 6 -9.307 -10.525 -6.881 56 HB2 LYS 6 2HB LYS 6 -9.962 -12.598 -5.527 57 HB3 LYS 6 3HB LYS 6 -8.286 -12.074 -5.440 58 HG2 LYS 6 2HG LYS 6 -8.697 -11.026 -3.293 59 HG3 LYS 6 3HG LYS 6 -10.404 -11.465 -3.386 60 HD2 LYS 6 2HD LYS 6 -8.100 -13.414 -3.331 61 HD3 LYS 6 3HD LYS 6 -9.121 -13.000 -1.952 62 HE2 LYS 6 2HE LYS 6 -10.517 -14.614 -2.570 63 HE3 LYS 6 3HE LYS 6 -10.870 -13.694 -4.032 64 HZ1 LYS 6 1HZ LYS 6 -10.014 -16.104 -4.227 65 HZ2 LYS 6 2HZ LYS 6 -8.494 -15.428 -3.924 66 HZ3 LYS 6 3HZ LYS 6 -9.389 -14.926 -5.269 67 H THR 7 H THR 7 -11.185 -10.403 -7.900 68 HA THR 7 HA THR 7 -13.567 -9.568 -6.468 69 HB THR 7 HB THR 7 -13.824 -10.244 -9.326 70 HG1 THR 7 HG1 THR 7 -12.387 -7.893 -8.736 71 HG21 THR 7 1HG2 THR 7 -14.484 -7.600 -8.949 72 HG22 THR 7 2HG2 THR 7 -14.845 -8.321 -7.380 73 HG23 THR 7 3HG2 THR 7 -15.599 -8.962 -8.839 74 H VAL 8 H VAL 8 -15.683 -10.650 -7.169 75 HA VAL 8 HA VAL 8 -15.602 -13.365 -6.342 76 HB VAL 8 HB VAL 8 -17.521 -11.833 -5.917 77 HG11 VAL 8 1HG1 VAL 8 -18.112 -12.288 -8.840 78 HG12 VAL 8 2HG1 VAL 8 -19.166 -11.470 -7.686 79 HG13 VAL 8 3HG1 VAL 8 -17.607 -10.764 -8.112 80 HG21 VAL 8 1HG2 VAL 8 -18.948 -13.576 -5.726 81 HG22 VAL 8 2HG2 VAL 8 -18.744 -14.069 -7.407 82 HG23 VAL 8 3HG2 VAL 8 -17.528 -14.504 -6.207 83 H SER 9 H SER 9 -15.045 -11.930 -9.324 84 HA SER 9 HA SER 9 -16.066 -14.130 -10.920 85 HB2 SER 9 2HB SER 9 -15.169 -11.405 -11.419 86 HB3 SER 9 3HB SER 9 -14.487 -12.547 -12.577 87 HG SER 9 HG SER 9 -16.579 -13.219 -13.081 88 H ASN 10 H ASN 10 -13.674 -14.129 -8.910 89 HA ASN 10 HA ASN 10 -11.775 -15.363 -8.675 90 HB2 ASN 10 2HB ASN 10 -13.249 -16.742 -10.582 91 HB3 ASN 10 3HB ASN 10 -11.668 -16.554 -11.334 92 HD21 ASN 10 1HD2 ASN 10 -13.425 -17.896 -8.647 93 HD22 ASN 10 2HD2 ASN 10 -12.193 -18.992 -8.132 94 H LYS 11 H LYS 11 -11.768 -12.691 -9.832 95 HA LYS 11 HA LYS 11 -9.377 -12.825 -11.541 96 HB2 LYS 11 2HB LYS 11 -11.428 -10.641 -11.160 97 HB3 LYS 11 3HB LYS 11 -9.937 -10.423 -12.066 98 HG2 LYS 11 2HG LYS 11 -10.637 -12.249 -13.580 99 HG3 LYS 11 3HG LYS 11 -12.169 -12.339 -12.708 100 HD2 LYS 11 2HD LYS 11 -12.851 -10.232 -13.451 101 HD3 LYS 11 3HD LYS 11 -11.209 -9.754 -13.889 102 HE2 LYS 11 2HE LYS 11 -11.284 -10.832 -15.888 103 HE3 LYS 11 3HE LYS 11 -12.342 -12.107 -15.285 104 HZ1 LYS 11 1HZ LYS 11 -13.319 -9.345 -15.681 105 HZ2 LYS 11 2HZ LYS 11 -14.218 -10.772 -15.550 106 HZ3 LYS 11 3HZ LYS 11 -13.310 -10.469 -16.946 107 H VAL 12 H VAL 12 -7.631 -12.806 -10.253 108 HA VAL 12 HA VAL 12 -7.555 -10.910 -8.008 109 HB VAL 12 HB VAL 12 -5.672 -13.205 -8.566 110 HG11 VAL 12 1HG1 VAL 12 -4.930 -12.866 -6.275 111 HG12 VAL 12 2HG1 VAL 12 -4.719 -11.388 -7.216 112 HG13 VAL 12 3HG1 VAL 12 -6.066 -11.532 -6.086 113 HG21 VAL 12 1HG2 VAL 12 -8.307 -13.103 -7.282 114 HG22 VAL 12 2HG2 VAL 12 -7.425 -14.473 -7.956 115 HG23 VAL 12 3HG2 VAL 12 -7.056 -13.901 -6.329 116 H ILE 13 H ILE 13 -6.389 -9.118 -8.181 117 HA ILE 13 HA ILE 13 -4.204 -9.045 -10.157 118 HB ILE 13 HB ILE 13 -6.162 -6.841 -9.504 119 HG12 ILE 13 2HG1 ILE 13 -7.040 -8.521 -11.050 120 HG13 ILE 13 3HG1 ILE 13 -6.740 -7.006 -11.894 121 HG21 ILE 13 1HG2 ILE 13 -3.473 -6.786 -10.675 122 HG22 ILE 13 2HG2 ILE 13 -4.702 -5.928 -11.604 123 HG23 ILE 13 3HG2 ILE 13 -4.410 -5.498 -9.919 124 HD11 ILE 13 1HD1 ILE 13 -4.391 -8.561 -12.088 125 HD12 ILE 13 2HD1 ILE 13 -5.761 -9.599 -12.487 126 HD13 ILE 13 3HD1 ILE 13 -5.511 -8.093 -13.368 127 H GLN 14 H GLN 14 -2.316 -8.824 -9.172 128 HA GLN 14 HA GLN 14 -2.207 -7.453 -6.580 129 HB2 GLN 14 2HB GLN 14 0.099 -8.520 -6.470 130 HB3 GLN 14 3HB GLN 14 -1.275 -9.614 -6.396 131 HG2 GLN 14 2HG GLN 14 -0.468 -10.750 -8.105 132 HG3 GLN 14 3HG GLN 14 -0.569 -9.311 -9.117 133 HE21 GLN 14 1HE2 GLN 14 1.308 -7.684 -8.076 134 HE22 GLN 14 2HE2 GLN 14 2.876 -8.392 -8.222 135 H ILE 15 H ILE 15 -1.536 -5.422 -6.559 136 HA ILE 15 HA ILE 15 0.380 -4.551 -8.624 137 HB ILE 15 HB ILE 15 -0.602 -2.251 -8.307 138 HG12 ILE 15 2HG1 ILE 15 -2.819 -3.818 -6.971 139 HG13 ILE 15 3HG1 ILE 15 -1.729 -2.702 -6.158 140 HG21 ILE 15 1HG2 ILE 15 -1.803 -2.619 -10.153 141 HG22 ILE 15 2HG2 ILE 15 -1.334 -4.308 -9.971 142 HG23 ILE 15 3HG2 ILE 15 -2.880 -3.749 -9.332 143 HD11 ILE 15 1HD1 ILE 15 -2.625 -0.852 -7.405 144 HD12 ILE 15 2HD1 ILE 15 -3.636 -1.941 -8.355 145 HD13 ILE 15 3HD1 ILE 15 -3.940 -1.736 -6.630 146 H THR 16 H THR 16 1.923 -2.961 -8.009 147 HA THR 16 HA THR 16 2.336 -2.733 -5.100 148 HB THR 16 HB THR 16 3.963 -4.312 -5.917 149 HG1 THR 16 HG1 THR 16 5.380 -1.863 -5.719 150 HG21 THR 16 1HG2 THR 16 5.603 -2.783 -7.631 151 HG22 THR 16 2HG2 THR 16 3.953 -2.628 -8.234 152 HG23 THR 16 3HG2 THR 16 4.670 -4.226 -8.027 153 H SER 17 H SER 17 0.983 -0.733 -6.003 154 HA SER 17 HA SER 17 2.658 1.522 -5.706 155 HB2 SER 17 2HB SER 17 3.360 1.350 -7.936 156 HB3 SER 17 3HB SER 17 1.774 0.819 -8.493 157 HG SER 17 HG SER 17 2.360 3.061 -8.968 158 H LEU 18 H LEU 18 1.004 1.728 -4.085 159 HA LEU 18 HA LEU 18 -1.594 2.641 -5.120 160 HB2 LEU 18 2HB LEU 18 -0.792 1.056 -2.825 161 HB3 LEU 18 3HB LEU 18 -1.821 2.412 -2.369 162 HG LEU 18 HG LEU 18 -2.999 0.227 -2.786 163 HD11 LEU 18 1HD1 LEU 18 -3.804 2.781 -3.203 164 HD12 LEU 18 2HD1 LEU 18 -4.857 1.371 -3.307 165 HD13 LEU 18 3HD1 LEU 18 -4.152 2.054 -4.772 166 HD21 LEU 18 1HD2 LEU 18 -1.673 -0.484 -4.719 167 HD22 LEU 18 2HD2 LEU 18 -2.323 0.861 -5.657 168 HD23 LEU 18 3HD2 LEU 18 -3.395 -0.424 -5.097 169 H THR 19 H THR 19 -2.557 4.524 -4.200 170 HA THR 19 HA THR 19 -0.641 6.610 -3.688 171 HB THR 19 HB THR 19 -3.495 7.240 -3.305 172 HG1 THR 19 HG1 THR 19 -4.126 6.754 -5.332 173 HG21 THR 19 1HG2 THR 19 -1.062 8.444 -4.380 174 HG22 THR 19 2HG2 THR 19 -2.480 9.208 -3.662 175 HG23 THR 19 3HG2 THR 19 -2.489 8.759 -5.367 176 H ASP 20 H ASP 20 -1.467 8.301 -1.935 177 HA ASP 20 HA ASP 20 -1.926 6.810 0.565 178 HB2 ASP 20 2HB ASP 20 -0.556 8.930 1.476 179 HB3 ASP 20 3HB ASP 20 0.227 7.434 0.974 180 H ASP 21 H ASP 21 -3.229 8.968 -1.517 181 HA ASP 21 HA ASP 21 -4.395 10.729 0.494 182 HB2 ASP 21 2HB ASP 21 -4.805 10.696 -2.503 183 HB3 ASP 21 3HB ASP 21 -5.339 11.954 -1.392 184 H ASN 22 H ASN 22 -5.464 8.405 -1.975 185 HA ASN 22 HA ASN 22 -8.004 8.154 -0.501 186 HB2 ASN 22 2HB ASN 22 -7.424 8.372 -3.397 187 HB3 ASN 22 3HB ASN 22 -8.648 7.190 -2.944 188 HD21 ASN 22 1HD2 ASN 22 -10.194 8.126 -1.188 189 HD22 ASN 22 2HD2 ASN 22 -10.843 9.684 -1.562 190 H THR 23 H THR 23 -5.748 6.394 -2.616 191 HA THR 23 HA THR 23 -5.066 4.222 -2.645 192 HB THR 23 HB THR 23 -6.123 4.222 0.188 193 HG1 THR 23 HG1 THR 23 -4.197 5.571 -0.614 194 HG21 THR 23 1HG2 THR 23 -5.233 2.055 -1.460 195 HG22 THR 23 2HG2 THR 23 -5.773 2.023 0.218 196 HG23 THR 23 3HG2 THR 23 -4.075 2.314 -0.157 197 H ILE 24 H ILE 24 -7.741 3.599 -0.433 198 HA ILE 24 HA ILE 24 -8.767 1.467 -1.936 199 HB ILE 24 HB ILE 24 -10.152 3.156 0.149 200 HG12 ILE 24 2HG1 ILE 24 -9.637 0.787 1.340 201 HG13 ILE 24 3HG1 ILE 24 -8.270 0.868 0.234 202 HG21 ILE 24 1HG2 ILE 24 -11.496 0.939 0.368 203 HG22 ILE 24 2HG2 ILE 24 -11.920 2.099 -0.890 204 HG23 ILE 24 3HG2 ILE 24 -10.967 0.671 -1.293 205 HD11 ILE 24 1HD1 ILE 24 -8.508 2.066 2.739 206 HD12 ILE 24 2HD1 ILE 24 -7.226 2.304 1.550 207 HD13 ILE 24 3HD1 ILE 24 -8.621 3.382 1.571 208 H ALA 25 H ALA 25 -10.267 4.664 -1.411 209 HA ALA 25 HA ALA 25 -12.323 4.426 -3.245 210 HB1 ALA 25 1HB ALA 25 -11.636 6.328 -1.520 211 HB2 ALA 25 2HB ALA 25 -11.038 7.086 -2.997 212 HB3 ALA 25 3HB ALA 25 -12.737 6.628 -2.866 213 H GLU 26 H GLU 26 -8.967 5.358 -3.766 214 HA GLU 26 HA GLU 26 -9.291 6.200 -6.459 215 HB2 GLU 26 2HB GLU 26 -7.315 6.539 -4.731 216 HB3 GLU 26 3HB GLU 26 -6.699 5.079 -5.491 217 HG2 GLU 26 2HG GLU 26 -5.717 6.560 -6.866 218 HG3 GLU 26 3HG GLU 26 -7.277 6.496 -7.684 219 H LEU 27 H LEU 27 -8.375 3.131 -4.959 220 HA LEU 27 HA LEU 27 -7.785 1.767 -7.365 221 HB2 LEU 27 2HB LEU 27 -7.717 1.210 -4.622 222 HB3 LEU 27 3HB LEU 27 -8.808 0.015 -5.321 223 HG LEU 27 HG LEU 27 -5.909 0.476 -5.999 224 HD11 LEU 27 1HD1 LEU 27 -6.332 -2.187 -5.474 225 HD12 LEU 27 2HD1 LEU 27 -7.384 -1.380 -4.311 226 HD13 LEU 27 3HD1 LEU 27 -5.662 -1.004 -4.350 227 HD21 LEU 27 1HD2 LEU 27 -6.717 -0.014 -8.092 228 HD22 LEU 27 2HD2 LEU 27 -8.062 -0.971 -7.470 229 HD23 LEU 27 3HD2 LEU 27 -6.427 -1.635 -7.460 230 H LYS 28 H LYS 28 -10.694 1.788 -5.314 231 HA LYS 28 HA LYS 28 -12.225 0.100 -6.981 232 HB2 LYS 28 2HB LYS 28 -14.129 0.804 -5.665 233 HB3 LYS 28 3HB LYS 28 -12.750 0.557 -4.602 234 HG2 LYS 28 2HG LYS 28 -12.356 3.015 -4.654 235 HG3 LYS 28 3HG LYS 28 -13.862 3.184 -5.558 236 HD2 LYS 28 2HD LYS 28 -13.581 1.979 -2.805 237 HD3 LYS 28 3HD LYS 28 -14.196 3.594 -3.166 238 HE2 LYS 28 2HE LYS 28 -16.221 2.664 -3.251 239 HE3 LYS 28 3HE LYS 28 -15.714 1.938 -4.776 240 HZ1 LYS 28 1HZ LYS 28 -14.807 0.445 -2.516 241 HZ2 LYS 28 2HZ LYS 28 -15.690 -0.073 -3.863 242 HZ3 LYS 28 3HZ LYS 28 -16.492 0.595 -2.531 243 H GLY 29 H GLY 29 -11.778 3.593 -6.870 244 HA2 GLY 29 2HA GLY 29 -13.859 4.249 -8.685 245 HA3 GLY 29 3HA GLY 29 -12.492 5.272 -8.268 246 H LYS 30 H LYS 30 -10.498 3.334 -9.124 247 HA LYS 30 HA LYS 30 -10.376 4.077 -11.880 248 HB2 LYS 30 2HB LYS 30 -8.643 2.388 -10.092 249 HB3 LYS 30 3HB LYS 30 -8.322 2.520 -11.817 250 HG2 LYS 30 2HG LYS 30 -8.635 5.004 -10.199 251 HG3 LYS 30 3HG LYS 30 -7.125 4.094 -10.117 252 HD2 LYS 30 2HD LYS 30 -7.705 4.241 -12.832 253 HD3 LYS 30 3HD LYS 30 -8.127 5.835 -12.204 254 HE2 LYS 30 2HE LYS 30 -5.829 5.673 -10.999 255 HE3 LYS 30 3HE LYS 30 -5.484 4.431 -12.202 256 HZ1 LYS 30 1HZ LYS 30 -4.727 6.324 -13.227 257 HZ2 LYS 30 2HZ LYS 30 -5.943 7.310 -12.587 258 HZ3 LYS 30 3HZ LYS 30 -6.299 6.237 -13.847 259 H LEU 31 H LEU 31 -11.257 1.182 -10.122 260 HA LEU 31 HA LEU 31 -11.214 -0.592 -12.338 261 HB2 LEU 31 2HB LEU 31 -11.301 -1.045 -9.765 262 HB3 LEU 31 3HB LEU 31 -13.045 -0.979 -10.011 263 HG LEU 31 HG LEU 31 -12.204 -3.277 -10.008 264 HD11 LEU 31 1HD1 LEU 31 -13.560 -3.991 -11.700 265 HD12 LEU 31 2HD1 LEU 31 -12.957 -2.792 -12.843 266 HD13 LEU 31 3HD1 LEU 31 -14.087 -2.312 -11.577 267 HD21 LEU 31 1HD2 LEU 31 -10.454 -4.003 -11.211 268 HD22 LEU 31 2HD2 LEU 31 -10.023 -2.295 -11.297 269 HD23 LEU 31 3HD2 LEU 31 -10.902 -3.051 -12.627 270 H GLU 32 H GLU 32 -13.772 1.323 -10.805 271 HA GLU 32 HA GLU 32 -15.867 0.374 -12.463 272 HB2 GLU 32 2HB GLU 32 -17.114 2.353 -11.623 273 HB3 GLU 32 3HB GLU 32 -16.389 1.392 -10.342 274 HG2 GLU 32 2HG GLU 32 -14.531 3.004 -10.222 275 HG3 GLU 32 3HG GLU 32 -15.335 3.985 -11.447 276 H GLU 33 H GLU 33 -13.734 3.193 -12.625 277 HA GLU 33 HA GLU 33 -14.975 4.368 -14.888 278 HB2 GLU 33 2HB GLU 33 -13.185 5.272 -13.119 279 HB3 GLU 33 3HB GLU 33 -12.075 4.810 -14.403 280 HG2 GLU 33 2HG GLU 33 -12.518 6.680 -15.486 281 HG3 GLU 33 3HG GLU 33 -14.226 6.252 -15.565 282 H SER 34 H SER 34 -12.441 1.983 -14.476 283 HA SER 34 HA SER 34 -11.427 2.009 -17.103 284 HB2 SER 34 2HB SER 34 -10.191 0.926 -15.323 285 HB3 SER 34 3HB SER 34 -11.508 -0.214 -15.049 286 HG SER 34 HG SER 34 -9.490 -0.602 -16.594 287 H GLU 35 H GLU 35 -13.989 0.082 -15.584 288 HA GLU 35 HA GLU 35 -14.601 -1.257 -18.077 289 HB2 GLU 35 2HB GLU 35 -15.723 -1.388 -15.291 290 HB3 GLU 35 3HB GLU 35 -16.554 -2.154 -16.637 291 HG2 GLU 35 2HG GLU 35 -13.716 -2.726 -15.816 292 HG3 GLU 35 3HG GLU 35 -15.116 -3.700 -15.373 293 H GLY 36 H GLY 36 -15.276 1.728 -16.828 294 HA2 GLY 36 2HA GLY 36 -16.596 3.354 -17.894 295 HA3 GLY 36 3HA GLY 36 -17.502 2.071 -18.681 296 H ILE 37 H ILE 37 -18.265 0.549 -16.497 297 HA ILE 37 HA ILE 37 -19.732 2.392 -14.753 298 HB ILE 37 HB ILE 37 -21.767 0.897 -15.032 299 HG12 ILE 37 2HG1 ILE 37 -20.509 0.188 -17.678 300 HG13 ILE 37 3HG1 ILE 37 -20.375 -0.867 -16.275 301 HG21 ILE 37 1HG2 ILE 37 -20.742 2.837 -17.047 302 HG22 ILE 37 2HG2 ILE 37 -22.265 2.005 -17.358 303 HG23 ILE 37 3HG2 ILE 37 -22.080 2.993 -15.909 304 HD11 ILE 37 1HD1 ILE 37 -22.587 -1.436 -16.324 305 HD12 ILE 37 2HD1 ILE 37 -23.069 0.061 -17.123 306 HD13 ILE 37 3HD1 ILE 37 -22.264 -1.210 -18.043 307 HA PRO 38 HA PRO 38 -18.770 -0.452 -11.550 308 HB2 PRO 38 2HB PRO 38 -20.916 -0.151 -9.914 309 HB3 PRO 38 3HB PRO 38 -19.659 1.079 -10.086 310 HG2 PRO 38 2HG PRO 38 -22.359 0.938 -11.371 311 HG3 PRO 38 3HG PRO 38 -21.534 2.333 -10.653 312 HD2 PRO 38 2HD PRO 38 -21.614 1.906 -13.325 313 HD3 PRO 38 3HD PRO 38 -20.237 2.690 -12.525 314 H GLY 39 H GLY 39 -18.978 -2.591 -11.184 315 HA2 GLY 39 2HA GLY 39 -20.552 -4.245 -12.735 316 HA3 GLY 39 3HA GLY 39 -19.841 -4.720 -11.199 317 H ASN 40 H ASN 40 -21.217 -3.112 -9.433 318 HA ASN 40 HA ASN 40 -23.967 -2.933 -9.728 319 HB2 ASN 40 2HB ASN 40 -23.105 -5.641 -9.501 320 HB3 ASN 40 3HB ASN 40 -23.954 -5.214 -8.019 321 HD21 ASN 40 1HD2 ASN 40 -26.126 -4.852 -8.065 322 HD22 ASN 40 2HD2 ASN 40 -27.107 -5.128 -9.460 323 H MET 41 H MET 41 -22.114 -4.538 -7.143 324 HA MET 41 HA MET 41 -22.947 -2.387 -5.326 325 HB2 MET 41 2HB MET 41 -22.375 -5.277 -4.997 326 HB3 MET 41 3HB MET 41 -21.903 -4.230 -3.666 327 HG2 MET 41 2HG MET 41 -24.272 -3.317 -3.751 328 HG3 MET 41 3HG MET 41 -24.642 -4.688 -4.795 329 HE1 MET 41 1HE MET 41 -25.252 -4.111 -0.821 330 HE2 MET 41 2HE MET 41 -25.968 -3.768 -2.396 331 HE3 MET 41 3HE MET 41 -26.373 -5.262 -1.549 332 H ILE 42 H ILE 42 -20.131 -4.174 -6.468 333 HA ILE 42 HA ILE 42 -17.886 -3.834 -6.213 334 HB ILE 42 HB ILE 42 -18.612 -0.908 -6.147 335 HG12 ILE 42 2HG1 ILE 42 -19.844 -1.948 -7.971 336 HG13 ILE 42 3HG1 ILE 42 -18.514 -0.996 -8.621 337 HG21 ILE 42 1HG2 ILE 42 -16.164 -2.228 -6.076 338 HG22 ILE 42 2HG2 ILE 42 -16.334 -1.680 -7.743 339 HG23 ILE 42 3HG2 ILE 42 -16.439 -0.520 -6.419 340 HD11 ILE 42 1HD1 ILE 42 -19.124 -3.692 -9.112 341 HD12 ILE 42 2HD1 ILE 42 -17.741 -2.764 -9.693 342 HD13 ILE 42 3HD1 ILE 42 -17.624 -3.670 -8.184 343 H ARG 43 H ARG 43 -18.693 -4.608 -3.863 344 HA ARG 43 HA ARG 43 -17.521 -2.699 -1.948 345 HB2 ARG 43 2HB ARG 43 -19.672 -4.759 -1.426 346 HB3 ARG 43 3HB ARG 43 -18.952 -3.707 -0.216 347 HG2 ARG 43 2HG ARG 43 -19.840 -1.991 -2.221 348 HG3 ARG 43 3HG ARG 43 -21.117 -3.195 -2.040 349 HD2 ARG 43 2HD ARG 43 -21.752 -1.679 -0.445 350 HD3 ARG 43 3HD ARG 43 -20.733 -2.747 0.519 351 HE ARG 43 HE ARG 43 -19.317 -0.994 0.849 352 HH11 ARG 43 1HH1 ARG 43 -21.233 -0.349 -1.985 353 HH12 ARG 43 2HH1 ARG 43 -20.602 1.249 -2.208 354 HH21 ARG 43 1HH2 ARG 43 -18.479 1.109 0.567 355 HH22 ARG 43 2HH2 ARG 43 -19.034 2.077 -0.756 356 H LEU 44 H LEU 44 -15.627 -3.348 -1.188 357 HA LEU 44 HA LEU 44 -15.008 -6.221 -1.185 358 HB2 LEU 44 2HB LEU 44 -12.649 -5.507 -1.067 359 HB3 LEU 44 3HB LEU 44 -13.481 -4.937 -2.512 360 HG LEU 44 HG LEU 44 -13.322 -3.097 -0.181 361 HD11 LEU 44 1HD1 LEU 44 -11.092 -3.502 -0.062 362 HD12 LEU 44 2HD1 LEU 44 -11.081 -2.371 -1.415 363 HD13 LEU 44 3HD1 LEU 44 -10.998 -4.107 -1.716 364 HD21 LEU 44 1HD2 LEU 44 -12.645 -2.074 -2.794 365 HD22 LEU 44 2HD2 LEU 44 -13.952 -1.608 -1.707 366 HD23 LEU 44 3HD2 LEU 44 -14.174 -2.952 -2.828 367 H VAL 45 H VAL 45 -13.815 -7.103 0.611 368 HA VAL 45 HA VAL 45 -14.345 -5.674 3.136 369 HB VAL 45 HB VAL 45 -14.239 -8.665 2.729 370 HG11 VAL 45 1HG1 VAL 45 -13.537 -7.843 4.964 371 HG12 VAL 45 2HG1 VAL 45 -15.117 -7.077 5.137 372 HG13 VAL 45 3HG1 VAL 45 -14.997 -8.832 5.005 373 HG21 VAL 45 1HG2 VAL 45 -16.686 -8.559 3.184 374 HG22 VAL 45 2HG2 VAL 45 -16.589 -6.803 3.054 375 HG23 VAL 45 3HG2 VAL 45 -16.211 -7.812 1.658 376 H TYR 46 H TYR 46 -12.579 -5.036 4.161 377 HA TYR 46 HA TYR 46 -10.029 -6.356 3.574 378 HB2 TYR 46 2HB TYR 46 -10.666 -3.698 3.665 379 HB3 TYR 46 3HB TYR 46 -9.995 -3.952 5.272 380 HD1 TYR 46 HD1 TYR 46 -9.019 -2.477 2.548 381 HD2 TYR 46 HD2 TYR 46 -7.914 -5.979 4.697 382 HE1 TYR 46 HE1 TYR 46 -6.748 -2.324 1.617 383 HE2 TYR 46 HE2 TYR 46 -5.639 -5.835 3.772 384 HH TYR 46 HH TYR 46 -4.835 -3.819 1.175 385 H GLN 47 H GLN 47 -9.376 -7.870 4.938 386 HA GLN 47 HA GLN 47 -9.047 -9.091 6.829 387 HB2 GLN 47 2HB GLN 47 -8.209 -6.534 7.362 388 HB3 GLN 47 3HB GLN 47 -9.318 -6.840 8.692 389 HG2 GLN 47 2HG GLN 47 -7.381 -7.602 9.605 390 HG3 GLN 47 3HG GLN 47 -7.974 -9.088 8.866 391 HE21 GLN 47 1HE2 GLN 47 -6.185 -6.219 7.775 392 HE22 GLN 47 2HE2 GLN 47 -4.926 -7.097 6.981 393 H GLY 48 H GLY 48 -11.755 -8.780 5.925 394 HA2 GLY 48 2HA GLY 48 -13.782 -9.602 6.685 395 HA3 GLY 48 3HA GLY 48 -13.098 -9.698 8.301 396 H LYS 49 H LYS 49 -12.561 -6.655 7.042 397 HA LYS 49 HA LYS 49 -14.928 -5.599 8.444 398 HB2 LYS 49 2HB LYS 49 -12.147 -5.012 8.723 399 HB3 LYS 49 3HB LYS 49 -12.956 -3.575 8.110 400 HG2 LYS 49 2HG LYS 49 -12.869 -3.547 10.529 401 HG3 LYS 49 3HG LYS 49 -14.538 -3.671 9.970 402 HD2 LYS 49 2HD LYS 49 -14.175 -5.175 11.836 403 HD3 LYS 49 3HD LYS 49 -14.462 -6.103 10.362 404 HE2 LYS 49 2HE LYS 49 -12.197 -6.690 10.164 405 HE3 LYS 49 3HE LYS 49 -11.688 -5.446 11.304 406 HZ1 LYS 49 1HZ LYS 49 -13.465 -7.620 12.192 407 HZ2 LYS 49 2HZ LYS 49 -12.389 -6.683 13.100 408 HZ3 LYS 49 3HZ LYS 49 -11.799 -7.889 12.071 409 H GLN 50 H GLN 50 -15.714 -3.481 7.644 410 HA GLN 50 HA GLN 50 -15.418 -3.281 4.719 411 HB2 GLN 50 2HB GLN 50 -17.887 -2.645 6.342 412 HB3 GLN 50 3HB GLN 50 -17.741 -2.577 4.590 413 HG2 GLN 50 2HG GLN 50 -16.966 -5.160 5.267 414 HG3 GLN 50 3HG GLN 50 -18.349 -4.811 6.303 415 HE21 GLN 50 1HE2 GLN 50 -17.354 -4.282 2.935 416 HE22 GLN 50 2HE2 GLN 50 -18.866 -4.743 2.238 417 H LEU 51 H LEU 51 -16.214 -1.050 3.925 418 HA LEU 51 HA LEU 51 -15.781 1.178 3.780 419 HB2 LEU 51 2HB LEU 51 -15.935 1.371 6.758 420 HB3 LEU 51 3HB LEU 51 -16.487 2.517 5.538 421 HG LEU 51 HG LEU 51 -17.806 -0.120 6.185 422 HD11 LEU 51 1HD1 LEU 51 -19.611 1.336 7.083 423 HD12 LEU 51 2HD1 LEU 51 -18.522 2.713 6.917 424 HD13 LEU 51 3HD1 LEU 51 -18.113 1.394 8.014 425 HD21 LEU 51 1HD2 LEU 51 -18.016 0.683 3.825 426 HD22 LEU 51 2HD2 LEU 51 -18.802 2.133 4.450 427 HD23 LEU 51 3HD2 LEU 51 -19.544 0.551 4.696 428 H GLU 52 H GLU 52 -13.660 1.124 3.098 429 HA GLU 52 HA GLU 52 -11.630 1.485 5.205 430 HB2 GLU 52 2HB GLU 52 -11.311 0.251 2.463 431 HB3 GLU 52 3HB GLU 52 -9.987 0.578 3.572 432 HG2 GLU 52 2HG GLU 52 -12.195 -1.426 3.832 433 HG3 GLU 52 3HG GLU 52 -10.453 -1.690 3.845 434 H ASP 53 H ASP 53 -13.354 3.064 2.903 435 HA ASP 53 HA ASP 53 -11.543 4.595 1.462 436 HB2 ASP 53 2HB ASP 53 -14.151 4.497 1.379 437 HB3 ASP 53 3HB ASP 53 -14.061 5.820 2.539 438 H GLU 54 H GLU 54 -12.698 4.985 4.762 439 HA GLU 54 HA GLU 54 -11.552 7.552 5.184 440 HB2 GLU 54 2HB GLU 54 -13.230 5.836 6.609 441 HB3 GLU 54 3HB GLU 54 -11.783 5.962 7.599 442 HG2 GLU 54 2HG GLU 54 -12.270 8.568 6.859 443 HG3 GLU 54 3HG GLU 54 -13.883 7.903 7.109 444 H LYS 55 H LYS 55 -10.268 4.382 5.099 445 HA LYS 55 HA LYS 55 -7.854 5.187 6.556 446 HB2 LYS 55 2HB LYS 55 -8.970 2.524 5.715 447 HB3 LYS 55 3HB LYS 55 -7.285 2.691 6.191 448 HG2 LYS 55 2HG LYS 55 -8.359 2.011 8.136 449 HG3 LYS 55 3HG LYS 55 -8.190 3.757 8.334 450 HD2 LYS 55 2HD LYS 55 -10.435 4.141 8.074 451 HD3 LYS 55 3HD LYS 55 -10.672 2.710 7.067 452 HE2 LYS 55 2HE LYS 55 -10.422 1.282 9.031 453 HE3 LYS 55 3HE LYS 55 -10.151 2.702 10.040 454 HZ1 LYS 55 1HZ LYS 55 -12.419 3.453 9.223 455 HZ2 LYS 55 2HZ LYS 55 -12.388 2.175 10.331 456 HZ3 LYS 55 3HZ LYS 55 -12.642 1.864 8.687 457 H ARG 56 H ARG 56 -8.359 6.334 4.004 458 HA ARG 56 HA ARG 56 -7.216 5.144 1.811 459 HB2 ARG 56 2HB ARG 56 -6.416 7.601 1.312 460 HB3 ARG 56 3HB ARG 56 -8.127 7.196 1.315 461 HG2 ARG 56 2HG ARG 56 -7.250 7.946 3.953 462 HG3 ARG 56 3HG ARG 56 -6.862 9.200 2.773 463 HD2 ARG 56 2HD ARG 56 -9.394 8.528 2.040 464 HD3 ARG 56 3HD ARG 56 -9.463 8.291 3.786 465 HE ARG 56 HE ARG 56 -9.318 10.780 2.396 466 HH11 ARG 56 1HH1 ARG 56 -8.437 9.150 5.343 467 HH12 ARG 56 2HH1 ARG 56 -8.389 10.602 6.286 468 HH21 ARG 56 1HH2 ARG 56 -9.259 12.700 3.627 469 HH22 ARG 56 2HH2 ARG 56 -8.858 12.621 5.309 470 H LEU 57 H LEU 57 -5.427 7.476 3.831 471 HA LEU 57 HA LEU 57 -2.900 6.586 2.875 472 HB2 LEU 57 2HB LEU 57 -3.650 8.867 3.921 473 HB3 LEU 57 3HB LEU 57 -3.205 8.086 5.438 474 HG LEU 57 HG LEU 57 -1.249 8.181 3.176 475 HD11 LEU 57 1HD1 LEU 57 -2.346 10.472 4.540 476 HD12 LEU 57 2HD1 LEU 57 -1.195 10.400 3.206 477 HD13 LEU 57 3HD1 LEU 57 -0.622 10.298 4.871 478 HD21 LEU 57 1HD2 LEU 57 -0.348 8.608 5.908 479 HD22 LEU 57 2HD2 LEU 57 0.196 7.439 4.705 480 HD23 LEU 57 3HD2 LEU 57 -1.215 7.086 5.702 481 H LYS 58 H LYS 58 -4.843 5.877 5.711 482 HA LYS 58 HA LYS 58 -2.925 4.591 7.280 483 HB2 LYS 58 2HB LYS 58 -5.765 4.922 7.287 484 HB3 LYS 58 3HB LYS 58 -5.400 3.229 7.596 485 HG2 LYS 58 2HG LYS 58 -3.677 4.948 9.138 486 HG3 LYS 58 3HG LYS 58 -5.377 5.322 9.428 487 HD2 LYS 58 2HD LYS 58 -5.813 2.970 9.928 488 HD3 LYS 58 3HD LYS 58 -4.119 2.583 9.616 489 HE2 LYS 58 2HE LYS 58 -3.920 2.843 11.845 490 HE3 LYS 58 3HE LYS 58 -3.841 4.556 11.435 491 HZ1 LYS 58 1HZ LYS 58 -6.260 4.668 11.790 492 HZ2 LYS 58 2HZ LYS 58 -5.420 4.228 13.189 493 HZ3 LYS 58 3HZ LYS 58 -6.252 3.055 12.299 494 H ASP 59 H ASP 59 -4.599 3.544 4.429 495 HA ASP 59 HA ASP 59 -3.933 0.753 4.793 496 HB2 ASP 59 2HB ASP 59 -5.465 2.353 2.823 497 HB3 ASP 59 3HB ASP 59 -4.711 0.882 2.215 498 H TYR 60 H TYR 60 -2.376 3.518 3.619 499 HA TYR 60 HA TYR 60 -0.720 2.190 1.670 500 HB2 TYR 60 2HB TYR 60 -1.320 4.586 1.467 501 HB3 TYR 60 3HB TYR 60 -0.398 4.923 2.927 502 HD1 TYR 60 HD1 TYR 60 0.115 3.195 -0.354 503 HD2 TYR 60 HD2 TYR 60 1.719 5.774 2.626 504 HE1 TYR 60 HE1 TYR 60 2.144 3.493 -1.712 505 HE2 TYR 60 HE2 TYR 60 3.752 6.079 1.276 506 HH TYR 60 HH TYR 60 4.137 5.785 -1.563 507 H GLN 61 H GLN 61 -0.667 2.693 5.061 508 HA GLN 61 HA GLN 61 2.188 2.384 5.352 509 HB2 GLN 61 2HB GLN 61 1.876 2.785 7.605 510 HB3 GLN 61 3HB GLN 61 0.506 3.641 6.910 511 HG2 GLN 61 2HG GLN 61 -0.818 1.501 7.321 512 HG3 GLN 61 3HG GLN 61 0.534 1.009 8.340 513 HE21 GLN 61 1HE2 GLN 61 -1.136 4.097 7.832 514 HE22 GLN 61 2HE2 GLN 61 -1.511 4.365 9.497 515 H MET 62 H MET 62 -0.424 0.314 4.856 516 HA MET 62 HA MET 62 0.607 -1.930 6.347 517 HB2 MET 62 2HB MET 62 -1.469 -2.087 4.176 518 HB3 MET 62 3HB MET 62 -1.272 -3.128 5.579 519 HG2 MET 62 2HG MET 62 -2.089 -0.236 5.705 520 HG3 MET 62 3HG MET 62 -3.208 -1.597 5.725 521 HE1 MET 62 1HE MET 62 -3.592 0.214 8.519 522 HE2 MET 62 2HE MET 62 -4.362 -1.066 7.582 523 HE3 MET 62 3HE MET 62 -3.880 -1.364 9.253 524 H SER 63 H SER 63 0.085 -1.313 2.869 525 HA SER 63 HA SER 63 1.080 -2.183 1.012 526 HB2 SER 63 2HB SER 63 3.597 -2.347 2.667 527 HB3 SER 63 3HB SER 63 3.448 -2.042 0.936 528 HG SER 63 HG SER 63 3.648 -0.250 2.794 529 H ALA 64 H ALA 64 -0.167 -4.068 2.785 530 HA ALA 64 HA ALA 64 0.664 -6.476 1.627 531 HB1 ALA 64 1HB ALA 64 1.772 -5.932 4.362 532 HB2 ALA 64 2HB ALA 64 1.495 -7.574 3.781 533 HB3 ALA 64 3HB ALA 64 2.611 -6.511 2.924 534 H GLY 65 H GLY 65 -1.782 -5.426 1.821 535 HA2 GLY 65 2HA GLY 65 -3.109 -7.126 3.841 536 HA3 GLY 65 3HA GLY 65 -3.692 -5.516 3.446 537 H ALA 66 H ALA 66 -4.154 -8.737 2.893 538 HA ALA 66 HA ALA 66 -4.763 -8.865 0.153 539 HB1 ALA 66 1HB ALA 66 -4.705 -10.661 2.205 540 HB2 ALA 66 2HB ALA 66 -6.434 -10.538 1.878 541 HB3 ALA 66 3HB ALA 66 -5.322 -10.991 0.586 542 H THR 67 H THR 67 -6.519 -8.329 -1.019 543 HA THR 67 HA THR 67 -8.836 -7.215 0.425 544 HB THR 67 HB THR 67 -8.717 -6.073 -2.174 545 HG1 THR 67 HG1 THR 67 -6.249 -6.295 -0.877 546 HG21 THR 67 1HG2 THR 67 -8.102 -4.789 0.489 547 HG22 THR 67 2HG2 THR 67 -9.730 -5.127 -0.100 548 HG23 THR 67 3HG2 THR 67 -8.697 -3.991 -0.966 549 H PHE 68 H PHE 68 -10.850 -7.757 -0.293 550 HA PHE 68 HA PHE 68 -11.020 -9.488 -2.666 551 HB2 PHE 68 2HB PHE 68 -11.131 -11.000 -0.823 552 HB3 PHE 68 3HB PHE 68 -12.239 -9.952 0.056 553 HD1 PHE 68 HD1 PHE 68 -14.589 -9.816 -0.579 554 HD2 PHE 68 HD2 PHE 68 -11.906 -12.464 -2.553 555 HE1 PHE 68 HE1 PHE 68 -16.501 -11.041 -1.526 556 HE2 PHE 68 HE2 PHE 68 -13.813 -13.693 -3.505 557 HZ PHE 68 HZ PHE 68 -16.114 -12.982 -2.992 558 H HIS 69 H HIS 69 -12.235 -8.482 -4.116 559 HA HIS 69 HA HIS 69 -14.277 -6.590 -3.267 560 HB2 HIS 69 2HB HIS 69 -13.219 -7.307 -6.008 561 HB3 HIS 69 3HB HIS 69 -14.449 -6.083 -5.705 562 HD1 HIS 69 HD1 HIS 69 -13.351 -3.897 -6.056 563 HD2 HIS 69 HD2 HIS 69 -10.924 -6.523 -3.941 564 HE1 HIS 69 HE1 HIS 69 -11.304 -2.572 -5.438 565 H MET 70 H MET 70 -16.454 -6.787 -3.670 566 HA MET 70 HA MET 70 -17.363 -9.357 -4.782 567 HB2 MET 70 2HB MET 70 -17.568 -9.441 -2.352 568 HB3 MET 70 3HB MET 70 -18.471 -7.932 -2.357 569 HG2 MET 70 2HG MET 70 -20.372 -9.009 -2.676 570 HG3 MET 70 3HG MET 70 -19.729 -9.810 -4.108 571 HE1 MET 70 1HE MET 70 -21.643 -12.216 -1.773 572 HE2 MET 70 2HE MET 70 -21.219 -11.083 -0.489 573 HE3 MET 70 3HE MET 70 -21.809 -10.480 -2.039 574 H VAL 71 H VAL 71 -18.835 -9.188 -6.349 575 HA VAL 71 HA VAL 71 -20.423 -6.721 -6.544 576 HB VAL 71 HB VAL 71 -19.094 -8.089 -8.887 577 HG11 VAL 71 1HG1 VAL 71 -20.096 -5.423 -9.346 578 HG12 VAL 71 2HG1 VAL 71 -20.429 -6.916 -10.226 579 HG13 VAL 71 3HG1 VAL 71 -21.382 -6.499 -8.801 580 HG21 VAL 71 1HG2 VAL 71 -18.393 -5.628 -7.324 581 HG22 VAL 71 2HG2 VAL 71 -17.356 -6.975 -7.794 582 HG23 VAL 71 3HG2 VAL 71 -17.901 -5.816 -9.007 583 H VAL 72 H VAL 72 -22.463 -7.341 -6.268 584 HA VAL 72 HA VAL 72 -23.341 -9.920 -7.362 585 HB VAL 72 HB VAL 72 -23.860 -9.702 -5.036 586 HG11 VAL 72 1HG1 VAL 72 -25.717 -7.593 -4.891 587 HG12 VAL 72 2HG1 VAL 72 -24.130 -7.696 -4.125 588 HG13 VAL 72 3HG1 VAL 72 -24.295 -6.957 -5.718 589 HG21 VAL 72 1HG2 VAL 72 -26.092 -10.285 -5.086 590 HG22 VAL 72 2HG2 VAL 72 -26.495 -9.062 -6.292 591 HG23 VAL 72 3HG2 VAL 72 -25.627 -10.521 -6.771 592 H ALA 73 H ALA 73 -24.106 -9.764 -9.368 593 HA ALA 73 HA ALA 73 -25.886 -7.501 -10.007 594 HB1 ALA 73 1HB ALA 73 -24.427 -9.008 -12.134 595 HB2 ALA 73 2HB ALA 73 -25.037 -7.353 -12.147 596 HB3 ALA 73 3HB ALA 73 -23.594 -7.754 -11.215 597 H LEU 74 H LEU 74 -27.867 -8.373 -9.659 598 HA LEU 74 HA LEU 74 -28.488 -10.923 -10.993 599 HB2 LEU 74 2HB LEU 74 -29.303 -9.713 -8.450 600 HB3 LEU 74 3HB LEU 74 -30.624 -10.424 -9.374 601 HG LEU 74 HG LEU 74 -29.668 -11.956 -7.688 602 HD11 LEU 74 1HD1 LEU 74 -29.432 -13.883 -9.182 603 HD12 LEU 74 2HD1 LEU 74 -29.273 -12.792 -10.558 604 HD13 LEU 74 3HD1 LEU 74 -30.784 -12.852 -9.651 605 HD21 LEU 74 1HD2 LEU 74 -27.486 -12.608 -7.634 606 HD22 LEU 74 2HD2 LEU 74 -27.275 -10.971 -8.256 607 HD23 LEU 74 3HD2 LEU 74 -27.246 -12.346 -9.361 608 H ARG 75 H ARG 75 -29.301 -7.555 -10.756 609 HA ARG 75 HA ARG 75 -31.741 -7.788 -12.276 610 HB2 ARG 75 2HB ARG 75 -30.852 -5.933 -10.523 611 HB3 ARG 75 3HB ARG 75 -30.416 -5.154 -12.038 612 HG2 ARG 75 2HG ARG 75 -32.541 -4.336 -11.548 613 HG3 ARG 75 3HG ARG 75 -32.825 -5.591 -12.756 614 HD2 ARG 75 2HD ARG 75 -34.366 -6.328 -11.297 615 HD3 ARG 75 3HD ARG 75 -32.981 -7.029 -10.462 616 HE ARG 75 HE ARG 75 -33.325 -5.553 -8.757 617 HH11 ARG 75 1HH1 ARG 75 -34.950 -4.375 -11.602 618 HH12 ARG 75 2HH1 ARG 75 -35.715 -3.057 -10.778 619 HH21 ARG 75 1HH2 ARG 75 -34.327 -3.821 -7.662 620 HH22 ARG 75 2HH2 ARG 75 -35.359 -2.742 -8.537 621 H ALA 76 H ALA 76 -28.606 -6.189 -12.876 622 HA ALA 76 HA ALA 76 -28.621 -7.097 -15.621 623 HB1 ALA 76 1HB ALA 76 -28.141 -4.409 -16.031 624 HB2 ALA 76 2HB ALA 76 -29.615 -5.283 -16.451 625 HB3 ALA 76 3HB ALA 76 -29.506 -4.424 -14.914 626 H GLY 77 H GLY 77 -26.604 -6.754 -16.700 627 HA2 GLY 77 2HA GLY 77 -24.352 -5.902 -16.721 628 HA3 GLY 77 3HA GLY 77 -24.417 -5.811 -14.967 629 H CYS 78 H CYS 78 -25.211 -8.447 -17.219 630 HA CYS 78 HA CYS 78 -23.804 -10.335 -15.562 631 HB2 CYS 78 2HB CYS 78 -25.882 -10.473 -17.443 632 HB3 CYS 78 3HB CYS 78 -24.550 -11.377 -18.154 633 HG CYS 78 HG CYS 78 -25.952 -11.976 -15.089 Start of MODEL 15 1 H MET 1 H MET 1 1.743 0.221 0.676 2 HA MET 1 HA MET 1 1.819 1.036 -1.885 3 HB2 MET 1 2HB MET 1 3.747 0.416 -0.241 4 HB3 MET 1 3HB MET 1 3.725 -1.132 -1.074 5 HG2 MET 1 2HG MET 1 5.075 -0.251 -2.585 6 HG3 MET 1 3HG MET 1 3.733 0.766 -3.104 7 HE1 MET 1 1HE MET 1 6.634 3.143 -3.298 8 HE2 MET 1 2HE MET 1 7.423 1.676 -2.719 9 HE3 MET 1 3HE MET 1 6.138 1.569 -3.922 10 H LEU 2 H LEU 2 2.234 -2.429 -1.140 11 HA LEU 2 HA LEU 2 1.086 -3.045 -3.773 12 HB2 LEU 2 2HB LEU 2 3.300 -3.924 -3.454 13 HB3 LEU 2 3HB LEU 2 2.830 -4.665 -1.926 14 HG LEU 2 HG LEU 2 1.309 -5.561 -4.285 15 HD11 LEU 2 1HD1 LEU 2 4.205 -5.538 -4.301 16 HD12 LEU 2 2HD1 LEU 2 3.071 -5.966 -5.580 17 HD13 LEU 2 3HD1 LEU 2 3.554 -7.174 -4.390 18 HD21 LEU 2 1HD2 LEU 2 1.825 -7.769 -3.172 19 HD22 LEU 2 2HD2 LEU 2 0.876 -6.626 -2.219 20 HD23 LEU 2 3HD2 LEU 2 2.595 -6.840 -1.885 21 H LEU 3 H LEU 3 -0.850 -3.970 -3.920 22 HA LEU 3 HA LEU 3 -1.895 -5.499 -1.652 23 HB2 LEU 3 2HB LEU 3 -3.889 -4.327 -1.496 24 HB3 LEU 3 3HB LEU 3 -2.679 -3.058 -1.676 25 HG LEU 3 HG LEU 3 -4.440 -4.092 -3.897 26 HD11 LEU 3 1HD1 LEU 3 -4.999 -2.270 -1.767 27 HD12 LEU 3 2HD1 LEU 3 -6.039 -2.787 -3.093 28 HD13 LEU 3 3HD1 LEU 3 -4.975 -1.396 -3.299 29 HD21 LEU 3 1HD2 LEU 3 -2.424 -3.247 -4.818 30 HD22 LEU 3 2HD2 LEU 3 -2.428 -1.859 -3.729 31 HD23 LEU 3 3HD2 LEU 3 -3.638 -1.981 -5.007 32 H LYS 4 H LYS 4 -3.422 -7.077 -2.192 33 HA LYS 4 HA LYS 4 -3.601 -7.655 -5.075 34 HB2 LYS 4 2HB LYS 4 -2.319 -9.329 -3.844 35 HB3 LYS 4 3HB LYS 4 -3.655 -9.554 -2.722 36 HG2 LYS 4 2HG LYS 4 -4.812 -10.002 -5.181 37 HG3 LYS 4 3HG LYS 4 -3.206 -10.716 -5.343 38 HD2 LYS 4 2HD LYS 4 -4.626 -11.300 -2.824 39 HD3 LYS 4 3HD LYS 4 -5.325 -12.007 -4.283 40 HE2 LYS 4 2HE LYS 4 -2.666 -12.521 -4.622 41 HE3 LYS 4 3HE LYS 4 -2.839 -12.654 -2.873 42 HZ1 LYS 4 1HZ LYS 4 -4.406 -14.138 -4.913 43 HZ2 LYS 4 2HZ LYS 4 -4.672 -14.221 -3.244 44 HZ3 LYS 4 3HZ LYS 4 -3.215 -14.781 -3.898 45 H VAL 5 H VAL 5 -5.535 -7.172 -5.868 46 HA VAL 5 HA VAL 5 -7.898 -7.438 -4.145 47 HB VAL 5 HB VAL 5 -9.068 -6.056 -5.801 48 HG11 VAL 5 1HG1 VAL 5 -7.364 -4.021 -5.573 49 HG12 VAL 5 2HG1 VAL 5 -8.288 -4.641 -4.203 50 HG13 VAL 5 3HG1 VAL 5 -6.609 -5.132 -4.430 51 HG21 VAL 5 1HG2 VAL 5 -7.974 -6.662 -7.829 52 HG22 VAL 5 2HG2 VAL 5 -7.693 -4.939 -7.579 53 HG23 VAL 5 3HG2 VAL 5 -6.414 -6.100 -7.227 54 H LYS 6 H LYS 6 -9.370 -8.974 -4.490 55 HA LYS 6 HA LYS 6 -9.368 -10.374 -7.079 56 HB2 LYS 6 2HB LYS 6 -9.912 -12.472 -5.753 57 HB3 LYS 6 3HB LYS 6 -8.257 -11.889 -5.642 58 HG2 LYS 6 2HG LYS 6 -9.733 -10.670 -3.558 59 HG3 LYS 6 3HG LYS 6 -10.113 -12.393 -3.554 60 HD2 LYS 6 2HD LYS 6 -7.335 -11.213 -3.539 61 HD3 LYS 6 3HD LYS 6 -8.177 -11.866 -2.131 62 HE2 LYS 6 2HE LYS 6 -7.326 -13.364 -4.605 63 HE3 LYS 6 3HE LYS 6 -6.662 -13.530 -2.981 64 HZ1 LYS 6 1HZ LYS 6 -8.153 -15.325 -3.367 65 HZ2 LYS 6 2HZ LYS 6 -9.384 -14.288 -3.886 66 HZ3 LYS 6 3HZ LYS 6 -8.900 -14.282 -2.265 67 H THR 7 H THR 7 -11.286 -10.269 -8.024 68 HA THR 7 HA THR 7 -13.625 -9.492 -6.486 69 HB THR 7 HB THR 7 -13.990 -10.092 -9.346 70 HG1 THR 7 HG1 THR 7 -12.668 -8.509 -10.093 71 HG21 THR 7 1HG2 THR 7 -15.108 -8.430 -7.331 72 HG22 THR 7 2HG2 THR 7 -15.672 -8.680 -8.983 73 HG23 THR 7 3HG2 THR 7 -14.523 -7.391 -8.629 74 H VAL 8 H VAL 8 -15.748 -10.586 -7.141 75 HA VAL 8 HA VAL 8 -15.601 -13.320 -6.392 76 HB VAL 8 HB VAL 8 -17.526 -11.831 -5.860 77 HG11 VAL 8 1HG1 VAL 8 -17.573 -10.836 -8.197 78 HG12 VAL 8 2HG1 VAL 8 -18.439 -12.294 -8.687 79 HG13 VAL 8 3HG1 VAL 8 -19.132 -11.222 -7.470 80 HG21 VAL 8 1HG2 VAL 8 -18.788 -14.027 -7.366 81 HG22 VAL 8 2HG2 VAL 8 -17.503 -14.500 -6.254 82 HG23 VAL 8 3HG2 VAL 8 -18.903 -13.609 -5.656 83 H SER 9 H SER 9 -15.160 -11.802 -9.350 84 HA SER 9 HA SER 9 -16.216 -13.960 -10.977 85 HB2 SER 9 2HB SER 9 -15.176 -11.242 -11.452 86 HB3 SER 9 3HB SER 9 -14.778 -12.416 -12.707 87 HG SER 9 HG SER 9 -16.835 -11.265 -12.945 88 H ASN 10 H ASN 10 -13.769 -14.012 -9.030 89 HA ASN 10 HA ASN 10 -11.867 -15.254 -8.878 90 HB2 ASN 10 2HB ASN 10 -13.399 -16.595 -10.758 91 HB3 ASN 10 3HB ASN 10 -11.852 -16.379 -11.572 92 HD21 ASN 10 1HD2 ASN 10 -12.913 -17.110 -8.262 93 HD22 ASN 10 2HD2 ASN 10 -11.878 -18.477 -8.052 94 H LYS 11 H LYS 11 -11.893 -12.556 -9.984 95 HA LYS 11 HA LYS 11 -9.544 -12.658 -11.754 96 HB2 LYS 11 2HB LYS 11 -11.580 -10.476 -11.283 97 HB3 LYS 11 3HB LYS 11 -10.117 -10.254 -12.235 98 HG2 LYS 11 2HG LYS 11 -10.879 -12.071 -13.738 99 HG3 LYS 11 3HG LYS 11 -12.388 -12.140 -12.825 100 HD2 LYS 11 2HD LYS 11 -12.888 -10.770 -14.653 101 HD3 LYS 11 3HD LYS 11 -12.587 -9.635 -13.335 102 HE2 LYS 11 2HE LYS 11 -11.240 -8.639 -14.840 103 HE3 LYS 11 3HE LYS 11 -10.096 -9.887 -14.348 104 HZ1 LYS 11 1HZ LYS 11 -10.288 -10.956 -16.300 105 HZ2 LYS 11 2HZ LYS 11 -10.801 -9.450 -16.873 106 HZ3 LYS 11 3HZ LYS 11 -11.941 -10.630 -16.461 107 H VAL 12 H VAL 12 -7.771 -12.665 -10.501 108 HA VAL 12 HA VAL 12 -7.637 -10.782 -8.247 109 HB VAL 12 HB VAL 12 -5.769 -13.084 -8.815 110 HG11 VAL 12 1HG1 VAL 12 -5.276 -10.970 -7.259 111 HG12 VAL 12 2HG1 VAL 12 -6.163 -11.966 -6.103 112 HG13 VAL 12 3HG1 VAL 12 -4.705 -12.593 -6.874 113 HG21 VAL 12 1HG2 VAL 12 -7.193 -13.825 -6.620 114 HG22 VAL 12 2HG2 VAL 12 -8.431 -13.018 -7.582 115 HG23 VAL 12 3HG2 VAL 12 -7.527 -14.370 -8.263 116 H ILE 13 H ILE 13 -6.333 -9.067 -8.337 117 HA ILE 13 HA ILE 13 -4.205 -9.022 -10.370 118 HB ILE 13 HB ILE 13 -6.063 -6.737 -9.699 119 HG12 ILE 13 2HG1 ILE 13 -7.128 -8.383 -11.142 120 HG13 ILE 13 3HG1 ILE 13 -6.745 -6.939 -12.073 121 HG21 ILE 13 1HG2 ILE 13 -3.680 -6.879 -11.538 122 HG22 ILE 13 2HG2 ILE 13 -4.846 -5.557 -11.519 123 HG23 ILE 13 3HG2 ILE 13 -3.858 -5.881 -10.095 124 HD11 ILE 13 1HD1 ILE 13 -5.713 -8.223 -13.542 125 HD12 ILE 13 2HD1 ILE 13 -4.528 -8.643 -12.305 126 HD13 ILE 13 3HD1 ILE 13 -5.963 -9.644 -12.527 127 H GLN 14 H GLN 14 -2.305 -8.825 -9.404 128 HA GLN 14 HA GLN 14 -2.155 -7.456 -6.813 129 HB2 GLN 14 2HB GLN 14 -1.293 -9.697 -6.737 130 HB3 GLN 14 3HB GLN 14 -0.296 -9.417 -8.159 131 HG2 GLN 14 2HG GLN 14 0.366 -7.480 -6.180 132 HG3 GLN 14 3HG GLN 14 0.386 -9.082 -5.445 133 HE21 GLN 14 1HE2 GLN 14 1.179 -8.045 -8.732 134 HE22 GLN 14 2HE2 GLN 14 2.809 -8.618 -8.708 135 H ILE 15 H ILE 15 -1.489 -5.423 -6.833 136 HA ILE 15 HA ILE 15 0.467 -4.604 -8.880 137 HB ILE 15 HB ILE 15 -0.492 -2.314 -8.705 138 HG12 ILE 15 2HG1 ILE 15 -2.697 -3.713 -7.175 139 HG13 ILE 15 3HG1 ILE 15 -1.538 -2.584 -6.483 140 HG21 ILE 15 1HG2 ILE 15 -1.403 -4.500 -10.148 141 HG22 ILE 15 2HG2 ILE 15 -2.870 -3.736 -9.540 142 HG23 ILE 15 3HG2 ILE 15 -1.721 -2.801 -10.497 143 HD11 ILE 15 1HD1 ILE 15 -3.455 -1.871 -8.684 144 HD12 ILE 15 2HD1 ILE 15 -3.778 -1.620 -6.968 145 HD13 ILE 15 3HD1 ILE 15 -2.437 -0.779 -7.746 146 H THR 16 H THR 16 2.016 -3.022 -8.266 147 HA THR 16 HA THR 16 2.413 -2.807 -5.352 148 HB THR 16 HB THR 16 4.098 -4.287 -6.223 149 HG1 THR 16 HG1 THR 16 4.921 -2.874 -4.695 150 HG21 THR 16 1HG2 THR 16 5.592 -2.557 -7.936 151 HG22 THR 16 2HG2 THR 16 3.932 -2.651 -8.526 152 HG23 THR 16 3HG2 THR 16 4.874 -4.125 -8.303 153 H SER 17 H SER 17 0.975 -0.836 -6.142 154 HA SER 17 HA SER 17 2.576 1.474 -5.828 155 HB2 SER 17 2HB SER 17 3.163 1.268 -8.133 156 HB3 SER 17 3HB SER 17 1.496 0.923 -8.595 157 HG SER 17 HG SER 17 2.712 3.288 -8.411 158 H LEU 18 H LEU 18 1.015 1.634 -4.140 159 HA LEU 18 HA LEU 18 -1.690 2.383 -5.015 160 HB2 LEU 18 2HB LEU 18 -0.747 0.753 -2.914 161 HB3 LEU 18 3HB LEU 18 -1.442 2.192 -2.171 162 HG LEU 18 HG LEU 18 -2.840 0.258 -4.016 163 HD11 LEU 18 1HD1 LEU 18 -4.308 0.107 -1.897 164 HD12 LEU 18 2HD1 LEU 18 -2.899 0.767 -1.068 165 HD13 LEU 18 3HD1 LEU 18 -2.774 -0.763 -1.936 166 HD21 LEU 18 1HD2 LEU 18 -4.848 1.708 -3.241 167 HD22 LEU 18 2HD2 LEU 18 -3.834 2.271 -4.570 168 HD23 LEU 18 3HD2 LEU 18 -3.621 2.941 -2.952 169 H THR 19 H THR 19 -2.690 4.248 -4.128 170 HA THR 19 HA THR 19 -0.860 6.447 -3.776 171 HB THR 19 HB THR 19 -3.732 6.946 -3.317 172 HG1 THR 19 HG1 THR 19 -4.289 5.697 -4.946 173 HG21 THR 19 1HG2 THR 19 -2.725 8.933 -3.705 174 HG22 THR 19 2HG2 THR 19 -2.966 8.498 -5.397 175 HG23 THR 19 3HG2 THR 19 -1.409 8.205 -4.623 176 H ASP 20 H ASP 20 -1.675 8.159 -2.056 177 HA ASP 20 HA ASP 20 -2.026 6.752 0.509 178 HB2 ASP 20 2HB ASP 20 -0.651 8.914 1.305 179 HB3 ASP 20 3HB ASP 20 0.134 7.410 0.828 180 H ASP 21 H ASP 21 -3.402 8.833 -1.609 181 HA ASP 21 HA ASP 21 -4.534 10.643 0.379 182 HB2 ASP 21 2HB ASP 21 -5.023 10.524 -2.605 183 HB3 ASP 21 3HB ASP 21 -5.526 11.812 -1.514 184 H ASN 22 H ASN 22 -5.643 8.245 -2.001 185 HA ASN 22 HA ASN 22 -8.147 8.016 -0.462 186 HB2 ASN 22 2HB ASN 22 -7.642 8.222 -3.358 187 HB3 ASN 22 3HB ASN 22 -8.777 6.957 -2.899 188 HD21 ASN 22 1HD2 ASN 22 -10.284 7.845 -1.013 189 HD22 ASN 22 2HD2 ASN 22 -11.073 9.329 -1.412 190 H THR 23 H THR 23 -5.941 6.205 -2.591 191 HA THR 23 HA THR 23 -5.248 4.037 -2.575 192 HB THR 23 HB THR 23 -6.193 4.138 0.295 193 HG1 THR 23 HG1 THR 23 -4.254 5.401 -0.710 194 HG21 THR 23 1HG2 THR 23 -4.184 2.203 -0.019 195 HG22 THR 23 2HG2 THR 23 -5.343 1.910 -1.316 196 HG23 THR 23 3HG2 THR 23 -5.884 1.932 0.362 197 H ILE 24 H ILE 24 -7.842 3.484 -0.250 198 HA ILE 24 HA ILE 24 -8.905 1.288 -1.628 199 HB ILE 24 HB ILE 24 -10.240 3.064 0.418 200 HG12 ILE 24 2HG1 ILE 24 -9.674 0.755 1.700 201 HG13 ILE 24 3HG1 ILE 24 -8.339 0.795 0.553 202 HG21 ILE 24 1HG2 ILE 24 -11.708 1.084 0.796 203 HG22 ILE 24 2HG2 ILE 24 -11.936 1.866 -0.768 204 HG23 ILE 24 3HG2 ILE 24 -11.022 0.362 -0.660 205 HD11 ILE 24 1HD1 ILE 24 -8.209 1.917 2.953 206 HD12 ILE 24 2HD1 ILE 24 -7.359 2.570 1.552 207 HD13 ILE 24 3HD1 ILE 24 -8.892 3.276 2.060 208 H ALA 25 H ALA 25 -10.404 4.502 -1.202 209 HA ALA 25 HA ALA 25 -12.510 4.176 -2.963 210 HB1 ALA 25 1HB ALA 25 -11.632 6.200 -1.375 211 HB2 ALA 25 2HB ALA 25 -11.341 6.865 -2.983 212 HB3 ALA 25 3HB ALA 25 -12.959 6.331 -2.530 213 H GLU 26 H GLU 26 -9.185 5.153 -3.624 214 HA GLU 26 HA GLU 26 -9.606 5.829 -6.349 215 HB2 GLU 26 2HB GLU 26 -7.590 6.300 -4.679 216 HB3 GLU 26 3HB GLU 26 -6.949 4.844 -5.428 217 HG2 GLU 26 2HG GLU 26 -6.056 6.436 -6.789 218 HG3 GLU 26 3HG GLU 26 -7.556 6.092 -7.649 219 H LEU 27 H LEU 27 -8.656 2.869 -4.687 220 HA LEU 27 HA LEU 27 -8.015 1.378 -7.005 221 HB2 LEU 27 2HB LEU 27 -8.169 0.943 -4.180 222 HB3 LEU 27 3HB LEU 27 -8.971 -0.382 -5.021 223 HG LEU 27 HG LEU 27 -6.562 -0.775 -4.472 224 HD11 LEU 27 1HD1 LEU 27 -7.741 -2.002 -6.246 225 HD12 LEU 27 2HD1 LEU 27 -6.031 -1.776 -6.610 226 HD13 LEU 27 3HD1 LEU 27 -7.242 -0.774 -7.409 227 HD21 LEU 27 1HD2 LEU 27 -6.018 1.688 -5.117 228 HD22 LEU 27 2HD2 LEU 27 -5.874 1.035 -6.749 229 HD23 LEU 27 3HD2 LEU 27 -4.846 0.414 -5.456 230 H LYS 28 H LYS 28 -10.951 1.485 -4.996 231 HA LYS 28 HA LYS 28 -12.444 -0.306 -6.593 232 HB2 LYS 28 2HB LYS 28 -14.396 0.535 -5.364 233 HB3 LYS 28 3HB LYS 28 -13.056 0.182 -4.280 234 HG2 LYS 28 2HG LYS 28 -12.493 2.627 -4.341 235 HG3 LYS 28 3HG LYS 28 -14.014 2.879 -5.201 236 HD2 LYS 28 2HD LYS 28 -13.701 1.663 -2.456 237 HD3 LYS 28 3HD LYS 28 -14.288 3.289 -2.814 238 HE2 LYS 28 2HE LYS 28 -15.981 1.885 -4.330 239 HE3 LYS 28 3HE LYS 28 -15.635 0.665 -3.104 240 HZ1 LYS 28 1HZ LYS 28 -17.508 1.885 -2.376 241 HZ2 LYS 28 2HZ LYS 28 -16.767 3.373 -2.686 242 HZ3 LYS 28 3HZ LYS 28 -16.210 2.400 -1.420 243 H GLY 29 H GLY 29 -12.192 3.228 -6.554 244 HA2 GLY 29 2HA GLY 29 -14.191 3.686 -8.515 245 HA3 GLY 29 3HA GLY 29 -12.941 4.822 -8.030 246 H LYS 30 H LYS 30 -10.746 3.041 -8.712 247 HA LYS 30 HA LYS 30 -10.505 3.744 -11.472 248 HB2 LYS 30 2HB LYS 30 -8.763 2.354 -9.472 249 HB3 LYS 30 3HB LYS 30 -8.350 2.271 -11.180 250 HG2 LYS 30 2HG LYS 30 -8.956 4.976 -10.307 251 HG3 LYS 30 3HG LYS 30 -7.612 4.251 -9.421 252 HD2 LYS 30 2HD LYS 30 -6.940 3.517 -11.909 253 HD3 LYS 30 3HD LYS 30 -7.829 4.997 -12.277 254 HE2 LYS 30 2HE LYS 30 -6.356 6.327 -11.050 255 HE3 LYS 30 3HE LYS 30 -5.720 4.952 -10.148 256 HZ1 LYS 30 1HZ LYS 30 -4.041 5.115 -11.602 257 HZ2 LYS 30 2HZ LYS 30 -4.949 5.976 -12.741 258 HZ3 LYS 30 3HZ LYS 30 -5.074 4.291 -12.659 259 H LEU 31 H LEU 31 -11.292 0.835 -9.706 260 HA LEU 31 HA LEU 31 -10.919 -0.994 -11.844 261 HB2 LEU 31 2HB LEU 31 -11.181 -1.404 -9.292 262 HB3 LEU 31 3HB LEU 31 -12.907 -1.420 -9.649 263 HG LEU 31 HG LEU 31 -10.986 -3.234 -11.078 264 HD11 LEU 31 1HD1 LEU 31 -10.607 -4.329 -9.184 265 HD12 LEU 31 2HD1 LEU 31 -12.321 -4.741 -9.160 266 HD13 LEU 31 3HD1 LEU 31 -11.744 -3.317 -8.295 267 HD21 LEU 31 1HD2 LEU 31 -13.225 -4.592 -11.015 268 HD22 LEU 31 2HD2 LEU 31 -12.983 -3.314 -12.207 269 HD23 LEU 31 3HD2 LEU 31 -13.941 -3.001 -10.758 270 H GLU 32 H GLU 32 -13.747 0.753 -10.609 271 HA GLU 32 HA GLU 32 -15.596 -0.397 -12.428 272 HB2 GLU 32 2HB GLU 32 -17.069 1.493 -11.757 273 HB3 GLU 32 3HB GLU 32 -16.401 0.608 -10.393 274 HG2 GLU 32 2HG GLU 32 -14.679 2.365 -10.150 275 HG3 GLU 32 3HG GLU 32 -15.468 3.269 -11.441 276 H GLU 33 H GLU 33 -13.742 2.624 -12.443 277 HA GLU 33 HA GLU 33 -14.837 3.609 -14.867 278 HB2 GLU 33 2HB GLU 33 -13.455 4.804 -12.969 279 HB3 GLU 33 3HB GLU 33 -12.084 4.355 -13.974 280 HG2 GLU 33 2HG GLU 33 -14.012 5.488 -15.684 281 HG3 GLU 33 3HG GLU 33 -13.898 6.533 -14.269 282 H SER 34 H SER 34 -12.132 1.525 -14.094 283 HA SER 34 HA SER 34 -10.815 1.621 -16.581 284 HB2 SER 34 2HB SER 34 -9.656 0.699 -14.695 285 HB3 SER 34 3HB SER 34 -10.908 -0.517 -14.445 286 HG SER 34 HG SER 34 -8.786 -0.509 -16.185 287 H GLU 35 H GLU 35 -13.381 -0.480 -15.345 288 HA GLU 35 HA GLU 35 -13.504 -2.032 -17.767 289 HB2 GLU 35 2HB GLU 35 -15.184 -1.925 -15.271 290 HB3 GLU 35 3HB GLU 35 -15.646 -2.906 -16.655 291 HG2 GLU 35 2HG GLU 35 -12.893 -3.228 -15.617 292 HG3 GLU 35 3HG GLU 35 -14.215 -3.861 -14.638 293 H GLY 36 H GLY 36 -14.803 0.931 -16.683 294 HA2 GLY 36 2HA GLY 36 -15.911 2.459 -18.099 295 HA3 GLY 36 3HA GLY 36 -16.397 1.119 -19.127 296 H ILE 37 H ILE 37 -17.385 -0.480 -16.885 297 HA ILE 37 HA ILE 37 -19.652 1.121 -15.945 298 HB ILE 37 HB ILE 37 -20.445 0.026 -17.975 299 HG12 ILE 37 2HG1 ILE 37 -21.511 -1.159 -15.406 300 HG13 ILE 37 3HG1 ILE 37 -22.062 0.310 -16.204 301 HG21 ILE 37 1HG2 ILE 37 -20.385 -2.704 -16.985 302 HG22 ILE 37 2HG2 ILE 37 -19.930 -2.062 -18.563 303 HG23 ILE 37 3HG2 ILE 37 -18.771 -2.038 -17.234 304 HD11 ILE 37 1HD1 ILE 37 -22.434 -2.532 -17.084 305 HD12 ILE 37 2HD1 ILE 37 -23.665 -1.334 -16.684 306 HD13 ILE 37 3HD1 ILE 37 -22.709 -1.159 -18.155 307 HA PRO 38 HA PRO 38 -18.692 -0.990 -12.181 308 HB2 PRO 38 2HB PRO 38 -20.913 -0.268 -10.795 309 HB3 PRO 38 3HB PRO 38 -19.578 0.845 -11.118 310 HG2 PRO 38 2HG PRO 38 -22.198 0.567 -12.539 311 HG3 PRO 38 3HG PRO 38 -21.338 2.041 -12.056 312 HD2 PRO 38 2HD PRO 38 -21.280 1.085 -14.588 313 HD3 PRO 38 3HD PRO 38 -19.911 1.952 -13.863 314 H GLY 39 H GLY 39 -18.982 -3.040 -11.548 315 HA2 GLY 39 2HA GLY 39 -20.658 -4.839 -12.815 316 HA3 GLY 39 3HA GLY 39 -19.938 -5.105 -11.234 317 H ASN 40 H ASN 40 -21.195 -3.205 -9.704 318 HA ASN 40 HA ASN 40 -23.924 -2.882 -9.969 319 HB2 ASN 40 2HB ASN 40 -23.265 -5.606 -9.479 320 HB3 ASN 40 3HB ASN 40 -24.023 -4.971 -8.021 321 HD21 ASN 40 1HD2 ASN 40 -26.164 -4.559 -8.009 322 HD22 ASN 40 2HD2 ASN 40 -27.216 -4.851 -9.349 323 H MET 41 H MET 41 -22.120 -4.324 -7.255 324 HA MET 41 HA MET 41 -22.787 -1.953 -5.658 325 HB2 MET 41 2HB MET 41 -22.464 -4.815 -5.073 326 HB3 MET 41 3HB MET 41 -21.712 -3.749 -3.893 327 HG2 MET 41 2HG MET 41 -23.838 -2.594 -3.575 328 HG3 MET 41 3HG MET 41 -24.592 -3.658 -4.760 329 HE1 MET 41 1HE MET 41 -25.770 -4.471 -0.956 330 HE2 MET 41 2HE MET 41 -25.418 -2.960 -1.795 331 HE3 MET 41 3HE MET 41 -26.474 -4.159 -2.543 332 H ILE 42 H ILE 42 -20.096 -3.966 -6.708 333 HA ILE 42 HA ILE 42 -17.834 -3.697 -6.595 334 HB ILE 42 HB ILE 42 -18.342 -0.733 -6.575 335 HG12 ILE 42 2HG1 ILE 42 -18.191 -1.349 -9.221 336 HG13 ILE 42 3HG1 ILE 42 -19.081 -2.740 -8.611 337 HG21 ILE 42 1HG2 ILE 42 -16.264 -2.325 -8.058 338 HG22 ILE 42 2HG2 ILE 42 -16.307 -0.584 -7.783 339 HG23 ILE 42 3HG2 ILE 42 -16.014 -1.683 -6.435 340 HD11 ILE 42 1HD1 ILE 42 -20.891 -1.478 -8.862 341 HD12 ILE 42 2HD1 ILE 42 -20.353 -0.626 -7.414 342 HD13 ILE 42 3HD1 ILE 42 -19.944 0.002 -9.010 343 H ARG 43 H ARG 43 -18.660 -4.298 -4.162 344 HA ARG 43 HA ARG 43 -17.278 -2.392 -2.388 345 HB2 ARG 43 2HB ARG 43 -19.893 -3.529 -2.191 346 HB3 ARG 43 3HB ARG 43 -18.916 -4.141 -0.863 347 HG2 ARG 43 2HG ARG 43 -18.676 -2.081 0.096 348 HG3 ARG 43 3HG ARG 43 -18.859 -1.225 -1.437 349 HD2 ARG 43 2HD ARG 43 -21.212 -2.754 -0.547 350 HD3 ARG 43 3HD ARG 43 -20.777 -1.379 0.466 351 HE ARG 43 HE ARG 43 -21.957 -1.286 -2.121 352 HH11 ARG 43 1HH1 ARG 43 -19.754 0.382 -0.003 353 HH12 ARG 43 2HH1 ARG 43 -20.027 1.933 -0.726 354 HH21 ARG 43 1HH2 ARG 43 -22.325 0.750 -3.081 355 HH22 ARG 43 2HH2 ARG 43 -21.490 2.141 -2.476 356 H LEU 44 H LEU 44 -15.467 -3.113 -1.492 357 HA LEU 44 HA LEU 44 -14.947 -6.005 -1.514 358 HB2 LEU 44 2HB LEU 44 -12.575 -5.393 -1.336 359 HB3 LEU 44 3HB LEU 44 -13.345 -4.729 -2.776 360 HG LEU 44 HG LEU 44 -13.590 -2.663 -1.005 361 HD11 LEU 44 1HD1 LEU 44 -11.700 -4.384 0.152 362 HD12 LEU 44 2HD1 LEU 44 -12.078 -2.724 0.613 363 HD13 LEU 44 3HD1 LEU 44 -10.789 -3.045 -0.547 364 HD21 LEU 44 1HD2 LEU 44 -12.066 -1.545 -2.380 365 HD22 LEU 44 2HD2 LEU 44 -12.752 -2.794 -3.420 366 HD23 LEU 44 3HD2 LEU 44 -11.150 -3.014 -2.716 367 H VAL 45 H VAL 45 -13.831 -6.950 0.303 368 HA VAL 45 HA VAL 45 -14.464 -5.577 2.833 369 HB VAL 45 HB VAL 45 -14.207 -8.551 2.375 370 HG11 VAL 45 1HG1 VAL 45 -15.142 -8.756 4.616 371 HG12 VAL 45 2HG1 VAL 45 -13.641 -7.828 4.647 372 HG13 VAL 45 3HG1 VAL 45 -15.195 -7.000 4.767 373 HG21 VAL 45 1HG2 VAL 45 -16.177 -8.033 1.275 374 HG22 VAL 45 2HG2 VAL 45 -16.742 -8.390 2.907 375 HG23 VAL 45 3HG2 VAL 45 -16.570 -6.716 2.380 376 H TYR 46 H TYR 46 -12.847 -5.106 4.179 377 HA TYR 46 HA TYR 46 -10.187 -6.203 3.574 378 HB2 TYR 46 2HB TYR 46 -10.908 -3.596 3.730 379 HB3 TYR 46 3HB TYR 46 -10.410 -3.883 5.393 380 HD1 TYR 46 HD1 TYR 46 -9.098 -5.017 2.077 381 HD2 TYR 46 HD2 TYR 46 -8.293 -3.052 5.764 382 HE1 TYR 46 HE1 TYR 46 -6.746 -4.745 1.412 383 HE2 TYR 46 HE2 TYR 46 -5.939 -2.774 5.109 384 HH TYR 46 HH TYR 46 -4.837 -3.343 1.926 385 H GLN 47 H GLN 47 -9.551 -7.777 4.877 386 HA GLN 47 HA GLN 47 -9.276 -9.101 6.708 387 HB2 GLN 47 2HB GLN 47 -8.532 -6.553 7.417 388 HB3 GLN 47 3HB GLN 47 -9.677 -6.972 8.684 389 HG2 GLN 47 2HG GLN 47 -8.398 -8.937 9.247 390 HG3 GLN 47 3HG GLN 47 -7.292 -8.634 7.908 391 HE21 GLN 47 1HE2 GLN 47 -5.780 -6.992 8.075 392 HE22 GLN 47 2HE2 GLN 47 -5.395 -6.236 9.580 393 H GLY 48 H GLY 48 -11.951 -8.806 5.710 394 HA2 GLY 48 2HA GLY 48 -13.995 -9.692 6.331 395 HA3 GLY 48 3HA GLY 48 -13.365 -9.905 7.958 396 H LYS 49 H LYS 49 -12.863 -6.762 6.911 397 HA LYS 49 HA LYS 49 -15.316 -5.855 8.272 398 HB2 LYS 49 2HB LYS 49 -12.587 -5.324 8.876 399 HB3 LYS 49 3HB LYS 49 -13.308 -3.825 8.304 400 HG2 LYS 49 2HG LYS 49 -14.146 -3.521 10.328 401 HG3 LYS 49 3HG LYS 49 -15.169 -4.937 10.076 402 HD2 LYS 49 2HD LYS 49 -12.341 -5.091 11.103 403 HD3 LYS 49 3HD LYS 49 -13.755 -4.988 12.155 404 HE2 LYS 49 2HE LYS 49 -13.557 -7.098 10.036 405 HE3 LYS 49 3HE LYS 49 -12.775 -7.313 11.601 406 HZ1 LYS 49 1HZ LYS 49 -14.717 -7.711 12.590 407 HZ2 LYS 49 2HZ LYS 49 -15.340 -7.950 11.036 408 HZ3 LYS 49 3HZ LYS 49 -15.510 -6.447 11.793 409 H GLN 50 H GLN 50 -16.040 -3.659 7.630 410 HA GLN 50 HA GLN 50 -15.516 -3.180 4.770 411 HB2 GLN 50 2HB GLN 50 -18.078 -2.778 6.323 412 HB3 GLN 50 3HB GLN 50 -17.838 -2.300 4.648 413 HG2 GLN 50 2HG GLN 50 -18.363 -4.327 3.946 414 HG3 GLN 50 3HG GLN 50 -17.113 -5.044 4.961 415 HE21 GLN 50 1HE2 GLN 50 -17.754 -5.137 7.345 416 HE22 GLN 50 2HE2 GLN 50 -19.353 -5.705 7.673 417 H LEU 51 H LEU 51 -16.239 -0.861 4.147 418 HA LEU 51 HA LEU 51 -15.867 1.378 4.279 419 HB2 LEU 51 2HB LEU 51 -15.868 1.218 7.264 420 HB3 LEU 51 3HB LEU 51 -16.466 2.504 6.216 421 HG LEU 51 HG LEU 51 -18.089 0.336 5.615 422 HD11 LEU 51 1HD1 LEU 51 -17.155 0.210 8.415 423 HD12 LEU 51 2HD1 LEU 51 -17.760 -1.066 7.358 424 HD13 LEU 51 3HD1 LEU 51 -18.890 0.034 8.147 425 HD21 LEU 51 1HD2 LEU 51 -19.786 1.642 6.917 426 HD22 LEU 51 2HD2 LEU 51 -18.889 2.576 5.719 427 HD23 LEU 51 3HD2 LEU 51 -18.478 2.708 7.430 428 H GLU 52 H GLU 52 -13.773 1.321 3.481 429 HA GLU 52 HA GLU 52 -11.659 1.562 5.519 430 HB2 GLU 52 2HB GLU 52 -11.421 0.330 2.768 431 HB3 GLU 52 3HB GLU 52 -10.088 0.578 3.887 432 HG2 GLU 52 2HG GLU 52 -12.374 -1.340 4.083 433 HG3 GLU 52 3HG GLU 52 -10.642 -1.663 4.146 434 H ASP 53 H ASP 53 -13.412 3.176 3.268 435 HA ASP 53 HA ASP 53 -11.601 4.647 1.761 436 HB2 ASP 53 2HB ASP 53 -14.192 4.617 1.700 437 HB3 ASP 53 3HB ASP 53 -14.084 5.899 2.904 438 H GLU 54 H GLU 54 -12.639 5.070 5.091 439 HA GLU 54 HA GLU 54 -11.444 7.621 5.468 440 HB2 GLU 54 2HB GLU 54 -13.092 5.931 6.955 441 HB3 GLU 54 3HB GLU 54 -11.607 6.030 7.890 442 HG2 GLU 54 2HG GLU 54 -12.536 7.865 8.756 443 HG3 GLU 54 3HG GLU 54 -11.992 8.635 7.266 444 H LYS 55 H LYS 55 -10.202 4.438 5.330 445 HA LYS 55 HA LYS 55 -7.720 5.223 6.684 446 HB2 LYS 55 2HB LYS 55 -8.907 2.563 5.934 447 HB3 LYS 55 3HB LYS 55 -7.203 2.715 6.342 448 HG2 LYS 55 2HG LYS 55 -8.200 2.086 8.341 449 HG3 LYS 55 3HG LYS 55 -8.020 3.835 8.499 450 HD2 LYS 55 2HD LYS 55 -10.294 4.220 8.175 451 HD3 LYS 55 3HD LYS 55 -10.550 2.647 7.417 452 HE2 LYS 55 2HE LYS 55 -11.046 1.725 9.378 453 HE3 LYS 55 3HE LYS 55 -9.540 2.308 10.084 454 HZ1 LYS 55 1HZ LYS 55 -11.782 3.080 11.065 455 HZ2 LYS 55 2HZ LYS 55 -11.814 4.148 9.754 456 HZ3 LYS 55 3HZ LYS 55 -10.540 4.212 10.865 457 H ARG 56 H ARG 56 -8.322 6.332 4.134 458 HA ARG 56 HA ARG 56 -7.284 5.082 1.919 459 HB2 ARG 56 2HB ARG 56 -6.499 7.515 1.320 460 HB3 ARG 56 3HB ARG 56 -8.212 7.132 1.428 461 HG2 ARG 56 2HG ARG 56 -7.218 7.926 3.999 462 HG3 ARG 56 3HG ARG 56 -6.817 9.140 2.783 463 HD2 ARG 56 2HD ARG 56 -9.411 8.498 2.163 464 HD3 ARG 56 3HD ARG 56 -9.402 8.401 3.923 465 HE ARG 56 HE ARG 56 -9.250 10.766 2.338 466 HH11 ARG 56 1HH1 ARG 56 -8.234 9.340 5.347 467 HH12 ARG 56 2HH1 ARG 56 -8.077 10.860 6.164 468 HH21 ARG 56 1HH2 ARG 56 -9.047 12.773 3.403 469 HH22 ARG 56 2HH2 ARG 56 -8.540 12.812 5.057 470 H LEU 57 H LEU 57 -5.402 7.436 3.827 471 HA LEU 57 HA LEU 57 -2.920 6.532 2.777 472 HB2 LEU 57 2HB LEU 57 -3.614 8.819 3.839 473 HB3 LEU 57 3HB LEU 57 -3.122 8.044 5.343 474 HG LEU 57 HG LEU 57 -1.243 8.112 3.016 475 HD11 LEU 57 1HD1 LEU 57 -0.408 10.242 3.625 476 HD12 LEU 57 2HD1 LEU 57 -1.451 10.324 5.044 477 HD13 LEU 57 3HD1 LEU 57 -2.151 10.423 3.428 478 HD21 LEU 57 1HD2 LEU 57 -1.161 7.129 5.635 479 HD22 LEU 57 2HD2 LEU 57 -0.149 8.574 5.634 480 HD23 LEU 57 3HD2 LEU 57 0.178 7.265 4.496 481 H LYS 58 H LYS 58 -4.742 5.844 5.697 482 HA LYS 58 HA LYS 58 -2.763 4.552 7.185 483 HB2 LYS 58 2HB LYS 58 -5.597 4.902 7.319 484 HB3 LYS 58 3HB LYS 58 -5.229 3.209 7.621 485 HG2 LYS 58 2HG LYS 58 -3.434 4.946 9.069 486 HG3 LYS 58 3HG LYS 58 -5.123 5.296 9.445 487 HD2 LYS 58 2HD LYS 58 -5.502 2.945 9.976 488 HD3 LYS 58 3HD LYS 58 -3.826 2.572 9.565 489 HE2 LYS 58 2HE LYS 58 -3.071 4.066 11.364 490 HE3 LYS 58 3HE LYS 58 -4.751 4.398 11.782 491 HZ1 LYS 58 1HZ LYS 58 -3.236 2.438 12.857 492 HZ2 LYS 58 2HZ LYS 58 -4.118 1.594 11.687 493 HZ3 LYS 58 3HZ LYS 58 -4.927 2.480 12.880 494 H ASP 59 H ASP 59 -4.587 3.498 4.427 495 HA ASP 59 HA ASP 59 -3.919 0.706 4.770 496 HB2 ASP 59 2HB ASP 59 -5.531 2.309 2.868 497 HB3 ASP 59 3HB ASP 59 -4.814 0.832 2.229 498 H TYR 60 H TYR 60 -2.448 3.468 3.429 499 HA TYR 60 HA TYR 60 -0.876 2.105 1.446 500 HB2 TYR 60 2HB TYR 60 -1.425 4.458 1.143 501 HB3 TYR 60 3HB TYR 60 -0.606 4.869 2.646 502 HD1 TYR 60 HD1 TYR 60 0.174 3.054 -0.534 503 HD2 TYR 60 HD2 TYR 60 1.486 5.802 2.438 504 HE1 TYR 60 HE1 TYR 60 2.272 3.386 -1.775 505 HE2 TYR 60 HE2 TYR 60 3.586 6.142 1.204 506 HH TYR 60 HH TYR 60 4.970 4.685 -0.511 507 H GLN 61 H GLN 61 -0.653 2.654 4.823 508 HA GLN 61 HA GLN 61 2.211 2.347 4.979 509 HB2 GLN 61 2HB GLN 61 0.074 2.364 7.114 510 HB3 GLN 61 3HB GLN 61 1.800 2.277 7.440 511 HG2 GLN 61 2HG GLN 61 2.169 4.451 6.615 512 HG3 GLN 61 3HG GLN 61 0.569 4.523 5.878 513 HE21 GLN 61 1HE2 GLN 61 -1.096 3.751 7.811 514 HE22 GLN 61 2HE2 GLN 61 -1.010 4.812 9.171 515 H MET 62 H MET 62 -0.368 0.261 4.539 516 HA MET 62 HA MET 62 0.676 -1.965 6.046 517 HB2 MET 62 2HB MET 62 -1.402 -2.131 3.875 518 HB3 MET 62 3HB MET 62 -1.190 -3.188 5.264 519 HG2 MET 62 2HG MET 62 -2.013 -0.302 5.450 520 HG3 MET 62 3HG MET 62 -3.139 -1.657 5.415 521 HE1 MET 62 1HE MET 62 -4.292 -1.848 7.083 522 HE2 MET 62 2HE MET 62 -3.728 -2.815 8.445 523 HE3 MET 62 3HE MET 62 -3.995 -1.083 8.645 524 H SER 63 H SER 63 0.164 -1.365 2.564 525 HA SER 63 HA SER 63 1.171 -2.234 0.713 526 HB2 SER 63 2HB SER 63 3.673 -2.387 2.395 527 HB3 SER 63 3HB SER 63 3.546 -2.110 0.658 528 HG SER 63 HG SER 63 3.788 -0.274 2.410 529 H ALA 64 H ALA 64 -0.087 -4.117 2.484 530 HA ALA 64 HA ALA 64 0.750 -6.526 1.332 531 HB1 ALA 64 1HB ALA 64 2.165 -7.514 2.775 532 HB2 ALA 64 2HB ALA 64 2.537 -5.854 3.243 533 HB3 ALA 64 3HB ALA 64 1.389 -6.800 4.190 534 H GLY 65 H GLY 65 -1.691 -5.305 1.654 535 HA2 GLY 65 2HA GLY 65 -3.037 -7.071 3.606 536 HA3 GLY 65 3HA GLY 65 -3.601 -5.450 3.229 537 H ALA 66 H ALA 66 -4.093 -8.663 2.637 538 HA ALA 66 HA ALA 66 -4.716 -8.745 -0.102 539 HB1 ALA 66 1HB ALA 66 -6.439 -10.551 1.078 540 HB2 ALA 66 2HB ALA 66 -4.795 -10.880 0.531 541 HB3 ALA 66 3HB ALA 66 -5.095 -10.451 2.215 542 H THR 67 H THR 67 -6.487 -8.202 -1.255 543 HA THR 67 HA THR 67 -8.779 -7.079 0.221 544 HB THR 67 HB THR 67 -8.640 -5.946 -2.399 545 HG1 THR 67 HG1 THR 67 -6.349 -5.254 -0.899 546 HG21 THR 67 1HG2 THR 67 -9.401 -5.183 0.110 547 HG22 THR 67 2HG2 THR 67 -9.250 -4.096 -1.271 548 HG23 THR 67 3HG2 THR 67 -7.925 -4.246 -0.117 549 H PHE 68 H PHE 68 -10.806 -7.603 -0.478 550 HA PHE 68 HA PHE 68 -11.014 -9.327 -2.852 551 HB2 PHE 68 2HB PHE 68 -11.121 -10.840 -1.010 552 HB3 PHE 68 3HB PHE 68 -12.213 -9.784 -0.121 553 HD1 PHE 68 HD1 PHE 68 -11.993 -11.791 -3.243 554 HD2 PHE 68 HD2 PHE 68 -14.497 -10.130 -0.229 555 HE1 PHE 68 HE1 PHE 68 -13.918 -13.002 -4.181 556 HE2 PHE 68 HE2 PHE 68 -16.427 -11.339 -1.161 557 HZ PHE 68 HZ PHE 68 -16.139 -12.778 -3.139 558 H HIS 69 H HIS 69 -12.243 -8.324 -4.291 559 HA HIS 69 HA HIS 69 -14.234 -6.386 -3.436 560 HB2 HIS 69 2HB HIS 69 -13.259 -7.194 -6.181 561 HB3 HIS 69 3HB HIS 69 -14.468 -5.948 -5.887 562 HD1 HIS 69 HD1 HIS 69 -13.303 -3.826 -6.429 563 HD2 HIS 69 HD2 HIS 69 -10.961 -6.336 -4.088 564 HE1 HIS 69 HE1 HIS 69 -11.242 -2.496 -5.871 565 H MET 70 H MET 70 -16.429 -6.528 -3.829 566 HA MET 70 HA MET 70 -17.416 -9.124 -4.805 567 HB2 MET 70 2HB MET 70 -17.589 -9.084 -2.370 568 HB3 MET 70 3HB MET 70 -18.461 -7.559 -2.439 569 HG2 MET 70 2HG MET 70 -20.388 -8.610 -2.686 570 HG3 MET 70 3HG MET 70 -19.777 -9.495 -4.082 571 HE1 MET 70 1HE MET 70 -21.484 -11.618 -3.247 572 HE2 MET 70 2HE MET 70 -21.508 -12.075 -1.543 573 HE3 MET 70 3HE MET 70 -21.947 -10.435 -2.024 574 H VAL 71 H VAL 71 -19.011 -9.031 -6.275 575 HA VAL 71 HA VAL 71 -20.494 -6.517 -6.599 576 HB VAL 71 HB VAL 71 -20.326 -6.877 -9.113 577 HG11 VAL 71 1HG1 VAL 71 -19.200 -5.035 -8.082 578 HG12 VAL 71 2HG1 VAL 71 -17.901 -6.083 -7.509 579 HG13 VAL 71 3HG1 VAL 71 -18.090 -5.775 -9.235 580 HG21 VAL 71 1HG2 VAL 71 -19.032 -9.198 -8.360 581 HG22 VAL 71 2HG2 VAL 71 -19.065 -8.503 -9.981 582 HG23 VAL 71 3HG2 VAL 71 -17.721 -8.147 -8.895 583 H VAL 72 H VAL 72 -22.541 -7.066 -6.232 584 HA VAL 72 HA VAL 72 -23.520 -9.673 -7.154 585 HB VAL 72 HB VAL 72 -23.990 -9.299 -4.842 586 HG11 VAL 72 1HG1 VAL 72 -24.158 -7.230 -4.053 587 HG12 VAL 72 2HG1 VAL 72 -24.351 -6.583 -5.684 588 HG13 VAL 72 3HG1 VAL 72 -25.763 -7.122 -4.775 589 HG21 VAL 72 1HG2 VAL 72 -26.550 -8.715 -6.318 590 HG22 VAL 72 2HG2 VAL 72 -25.779 -10.301 -6.286 591 HG23 VAL 72 3HG2 VAL 72 -26.359 -9.572 -4.789 592 H ALA 73 H ALA 73 -24.235 -9.568 -9.193 593 HA ALA 73 HA ALA 73 -26.022 -7.336 -9.914 594 HB1 ALA 73 1HB ALA 73 -24.304 -8.937 -11.803 595 HB2 ALA 73 2HB ALA 73 -25.286 -7.525 -12.194 596 HB3 ALA 73 3HB ALA 73 -23.874 -7.355 -11.152 597 H LEU 74 H LEU 74 -28.003 -8.197 -9.535 598 HA LEU 74 HA LEU 74 -28.621 -10.793 -10.778 599 HB2 LEU 74 2HB LEU 74 -29.371 -9.545 -8.254 600 HB3 LEU 74 3HB LEU 74 -30.754 -10.169 -9.151 601 HG LEU 74 HG LEU 74 -29.545 -12.380 -9.255 602 HD11 LEU 74 1HD1 LEU 74 -27.477 -10.806 -8.087 603 HD12 LEU 74 2HD1 LEU 74 -27.439 -12.499 -8.580 604 HD13 LEU 74 3HD1 LEU 74 -27.948 -12.068 -6.947 605 HD21 LEU 74 1HD2 LEU 74 -29.978 -11.621 -6.401 606 HD22 LEU 74 2HD2 LEU 74 -30.474 -13.075 -7.267 607 HD23 LEU 74 3HD2 LEU 74 -31.328 -11.554 -7.534 608 H ARG 75 H ARG 75 -29.434 -7.420 -10.658 609 HA ARG 75 HA ARG 75 -31.892 -7.688 -12.129 610 HB2 ARG 75 2HB ARG 75 -30.641 -5.665 -10.621 611 HB3 ARG 75 3HB ARG 75 -30.767 -5.040 -12.260 612 HG2 ARG 75 2HG ARG 75 -32.752 -4.346 -11.342 613 HG3 ARG 75 3HG ARG 75 -33.228 -5.870 -12.096 614 HD2 ARG 75 2HD ARG 75 -32.691 -6.920 -9.808 615 HD3 ARG 75 3HD ARG 75 -32.752 -5.267 -9.197 616 HE ARG 75 HE ARG 75 -35.078 -5.506 -10.551 617 HH11 ARG 75 1HH1 ARG 75 -33.540 -7.427 -8.089 618 HH12 ARG 75 2HH1 ARG 75 -35.033 -7.988 -7.410 619 HH21 ARG 75 1HH2 ARG 75 -37.050 -6.237 -9.667 620 HH22 ARG 75 2HH2 ARG 75 -37.028 -7.311 -8.309 621 H ALA 76 H ALA 76 -28.728 -6.221 -12.886 622 HA ALA 76 HA ALA 76 -28.683 -7.342 -15.510 623 HB1 ALA 76 1HB ALA 76 -30.345 -5.516 -15.802 624 HB2 ALA 76 2HB ALA 76 -29.086 -4.359 -15.368 625 HB3 ALA 76 3HB ALA 76 -28.913 -5.346 -16.819 626 H GLY 77 H GLY 77 -26.745 -6.731 -16.714 627 HA2 GLY 77 2HA GLY 77 -24.743 -5.102 -15.457 628 HA3 GLY 77 3HA GLY 77 -24.422 -6.820 -15.274 629 H CYS 78 H CYS 78 -25.878 -5.171 -18.044 630 HA CYS 78 HA CYS 78 -23.442 -5.526 -19.598 631 HB2 CYS 78 2HB CYS 78 -26.036 -6.946 -20.172 632 HB3 CYS 78 3HB CYS 78 -24.861 -6.621 -21.441 633 HG CYS 78 HG CYS 78 -24.491 -8.658 -18.728 Start of MODEL 16 1 H MET 1 H MET 1 1.707 0.041 0.791 2 HA MET 1 HA MET 1 1.904 0.985 -1.807 3 HB2 MET 1 2HB MET 1 3.731 0.343 -0.029 4 HB3 MET 1 3HB MET 1 3.729 -1.197 -0.878 5 HG2 MET 1 2HG MET 1 4.684 -0.333 -2.743 6 HG3 MET 1 3HG MET 1 3.947 1.252 -2.522 7 HE1 MET 1 1HE MET 1 6.994 -0.547 0.126 8 HE2 MET 1 2HE MET 1 6.222 -1.313 -1.262 9 HE3 MET 1 3HE MET 1 7.781 -0.511 -1.452 10 H LEU 2 H LEU 2 2.160 -2.457 -0.894 11 HA LEU 2 HA LEU 2 1.149 -3.152 -3.562 12 HB2 LEU 2 2HB LEU 2 3.186 -4.217 -3.298 13 HB3 LEU 2 3HB LEU 2 2.908 -4.540 -1.588 14 HG LEU 2 HG LEU 2 1.162 -5.925 -3.552 15 HD11 LEU 2 1HD1 LEU 2 4.070 -6.145 -3.524 16 HD12 LEU 2 2HD1 LEU 2 2.898 -6.723 -4.707 17 HD13 LEU 2 3HD1 LEU 2 3.243 -7.682 -3.268 18 HD21 LEU 2 1HD2 LEU 2 0.592 -6.623 -1.472 19 HD22 LEU 2 2HD2 LEU 2 2.194 -6.306 -0.804 20 HD23 LEU 2 3HD2 LEU 2 1.909 -7.759 -1.763 21 H LEU 3 H LEU 3 -0.807 -4.019 -3.789 22 HA LEU 3 HA LEU 3 -2.043 -5.403 -1.524 23 HB2 LEU 3 2HB LEU 3 -3.971 -4.140 -1.503 24 HB3 LEU 3 3HB LEU 3 -2.721 -2.921 -1.743 25 HG LEU 3 HG LEU 3 -4.457 -4.072 -3.926 26 HD11 LEU 3 1HD1 LEU 3 -5.088 -2.166 -1.949 27 HD12 LEU 3 2HD1 LEU 3 -6.017 -2.595 -3.385 28 HD13 LEU 3 3HD1 LEU 3 -4.840 -1.283 -3.456 29 HD21 LEU 3 1HD2 LEU 3 -2.432 -1.839 -3.899 30 HD22 LEU 3 2HD2 LEU 3 -3.555 -2.154 -5.222 31 HD23 LEU 3 3HD2 LEU 3 -2.336 -3.356 -4.795 32 H LYS 4 H LYS 4 -3.601 -6.944 -2.087 33 HA LYS 4 HA LYS 4 -3.682 -7.609 -4.958 34 HB2 LYS 4 2HB LYS 4 -2.419 -9.270 -3.730 35 HB3 LYS 4 3HB LYS 4 -3.716 -9.441 -2.554 36 HG2 LYS 4 2HG LYS 4 -5.063 -10.620 -4.015 37 HG3 LYS 4 3HG LYS 4 -4.229 -10.004 -5.443 38 HD2 LYS 4 2HD LYS 4 -3.683 -12.350 -5.062 39 HD3 LYS 4 3HD LYS 4 -2.255 -11.333 -4.857 40 HE2 LYS 4 2HE LYS 4 -1.968 -12.157 -2.817 41 HE3 LYS 4 3HE LYS 4 -3.544 -11.525 -2.342 42 HZ1 LYS 4 1HZ LYS 4 -3.738 -13.773 -1.932 43 HZ2 LYS 4 2HZ LYS 4 -2.844 -14.223 -3.295 44 HZ3 LYS 4 3HZ LYS 4 -4.424 -13.646 -3.473 45 H VAL 5 H VAL 5 -5.606 -7.168 -5.796 46 HA VAL 5 HA VAL 5 -7.996 -7.450 -4.106 47 HB VAL 5 HB VAL 5 -9.144 -6.059 -5.800 48 HG11 VAL 5 1HG1 VAL 5 -7.617 -3.967 -5.369 49 HG12 VAL 5 2HG1 VAL 5 -8.465 -4.754 -4.036 50 HG13 VAL 5 3HG1 VAL 5 -6.754 -5.082 -4.311 51 HG21 VAL 5 1HG2 VAL 5 -6.749 -6.606 -7.288 52 HG22 VAL 5 2HG2 VAL 5 -8.260 -5.880 -7.833 53 HG23 VAL 5 3HG2 VAL 5 -6.992 -4.866 -7.144 54 H LYS 6 H LYS 6 -9.377 -9.054 -4.473 55 HA LYS 6 HA LYS 6 -9.317 -10.390 -7.098 56 HB2 LYS 6 2HB LYS 6 -9.971 -12.483 -5.764 57 HB3 LYS 6 3HB LYS 6 -8.296 -11.953 -5.678 58 HG2 LYS 6 2HG LYS 6 -8.698 -10.931 -3.520 59 HG3 LYS 6 3HG LYS 6 -10.406 -11.365 -3.611 60 HD2 LYS 6 2HD LYS 6 -8.105 -13.318 -3.583 61 HD3 LYS 6 3HD LYS 6 -9.120 -12.916 -2.196 62 HE2 LYS 6 2HE LYS 6 -10.507 -14.535 -2.824 63 HE3 LYS 6 3HE LYS 6 -10.888 -13.585 -4.260 64 HZ1 LYS 6 1HZ LYS 6 -8.836 -14.666 -5.259 65 HZ2 LYS 6 2HZ LYS 6 -10.202 -15.645 -5.068 66 HZ3 LYS 6 3HZ LYS 6 -8.915 -15.768 -3.977 67 H THR 7 H THR 7 -11.190 -10.260 -8.126 68 HA THR 7 HA THR 7 -13.589 -9.477 -6.692 69 HB THR 7 HB THR 7 -14.602 -9.116 -8.833 70 HG1 THR 7 HG1 THR 7 -12.545 -10.802 -9.705 71 HG21 THR 7 1HG2 THR 7 -12.044 -8.134 -9.751 72 HG22 THR 7 2HG2 THR 7 -12.251 -7.847 -8.023 73 HG23 THR 7 3HG2 THR 7 -13.445 -7.237 -9.168 74 H VAL 8 H VAL 8 -15.689 -10.562 -7.440 75 HA VAL 8 HA VAL 8 -15.588 -13.295 -6.677 76 HB VAL 8 HB VAL 8 -17.524 -11.793 -6.227 77 HG11 VAL 8 1HG1 VAL 8 -18.426 -12.279 -9.040 78 HG12 VAL 8 2HG1 VAL 8 -19.001 -11.088 -7.873 79 HG13 VAL 8 3HG1 VAL 8 -17.429 -10.880 -8.644 80 HG21 VAL 8 1HG2 VAL 8 -19.016 -13.526 -6.179 81 HG22 VAL 8 2HG2 VAL 8 -18.615 -14.064 -7.810 82 HG23 VAL 8 3HG2 VAL 8 -17.526 -14.423 -6.471 83 H SER 9 H SER 9 -15.017 -11.785 -9.617 84 HA SER 9 HA SER 9 -16.020 -13.940 -11.282 85 HB2 SER 9 2HB SER 9 -15.117 -11.208 -11.693 86 HB3 SER 9 3HB SER 9 -14.389 -12.313 -12.859 87 HG SER 9 HG SER 9 -16.422 -12.944 -13.507 88 H ASN 10 H ASN 10 -13.656 -14.007 -9.236 89 HA ASN 10 HA ASN 10 -11.772 -15.263 -9.005 90 HB2 ASN 10 2HB ASN 10 -13.228 -16.579 -10.973 91 HB3 ASN 10 3HB ASN 10 -11.629 -16.392 -11.687 92 HD21 ASN 10 1HD2 ASN 10 -13.531 -18.273 -9.728 93 HD22 ASN 10 2HD2 ASN 10 -12.295 -19.203 -8.958 94 H LYS 11 H LYS 11 -11.736 -12.562 -10.112 95 HA LYS 11 HA LYS 11 -9.311 -12.677 -11.774 96 HB2 LYS 11 2HB LYS 11 -11.349 -10.479 -11.396 97 HB3 LYS 11 3HB LYS 11 -9.849 -10.278 -12.293 98 HG2 LYS 11 2HG LYS 11 -10.557 -12.047 -13.842 99 HG3 LYS 11 3HG LYS 11 -12.078 -12.191 -12.958 100 HD2 LYS 11 2HD LYS 11 -12.950 -10.480 -14.082 101 HD3 LYS 11 3HD LYS 11 -11.591 -9.443 -13.640 102 HE2 LYS 11 2HE LYS 11 -10.314 -10.642 -15.507 103 HE3 LYS 11 3HE LYS 11 -11.889 -11.232 -16.035 104 HZ1 LYS 11 1HZ LYS 11 -10.779 -8.541 -16.154 105 HZ2 LYS 11 2HZ LYS 11 -12.431 -8.662 -15.814 106 HZ3 LYS 11 3HZ LYS 11 -11.810 -9.336 -17.235 107 H VAL 12 H VAL 12 -7.596 -12.690 -10.441 108 HA VAL 12 HA VAL 12 -7.557 -10.800 -8.188 109 HB VAL 12 HB VAL 12 -5.671 -13.109 -8.657 110 HG11 VAL 12 1HG1 VAL 12 -5.345 -12.802 -6.157 111 HG12 VAL 12 2HG1 VAL 12 -4.667 -11.551 -7.202 112 HG13 VAL 12 3HG1 VAL 12 -6.180 -11.260 -6.343 113 HG21 VAL 12 1HG2 VAL 12 -8.407 -13.088 -7.695 114 HG22 VAL 12 2HG2 VAL 12 -7.372 -14.451 -8.121 115 HG23 VAL 12 3HG2 VAL 12 -7.288 -13.752 -6.504 116 H ILE 13 H ILE 13 -6.314 -9.052 -8.302 117 HA ILE 13 HA ILE 13 -4.066 -9.043 -10.205 118 HB ILE 13 HB ILE 13 -5.949 -6.751 -9.638 119 HG12 ILE 13 2HG1 ILE 13 -6.948 -8.406 -11.116 120 HG13 ILE 13 3HG1 ILE 13 -6.520 -6.970 -12.039 121 HG21 ILE 13 1HG2 ILE 13 -4.299 -5.409 -10.272 122 HG22 ILE 13 2HG2 ILE 13 -3.245 -6.787 -10.581 123 HG23 ILE 13 3HG2 ILE 13 -4.315 -6.195 -11.851 124 HD11 ILE 13 1HD1 ILE 13 -4.296 -8.676 -12.156 125 HD12 ILE 13 2HD1 ILE 13 -5.720 -9.678 -12.437 126 HD13 ILE 13 3HD1 ILE 13 -5.422 -8.265 -13.449 127 H GLN 14 H GLN 14 -2.212 -8.846 -9.152 128 HA GLN 14 HA GLN 14 -2.176 -7.374 -6.606 129 HB2 GLN 14 2HB GLN 14 -1.465 -9.653 -6.330 130 HB3 GLN 14 3HB GLN 14 -0.352 -9.525 -7.685 131 HG2 GLN 14 2HG GLN 14 0.291 -7.503 -5.792 132 HG3 GLN 14 3HG GLN 14 0.143 -9.043 -4.949 133 HE21 GLN 14 1HE2 GLN 14 1.251 -8.317 -8.227 134 HE22 GLN 14 2HE2 GLN 14 2.831 -8.987 -8.032 135 H ILE 15 H ILE 15 -1.425 -5.374 -6.745 136 HA ILE 15 HA ILE 15 0.752 -4.821 -8.655 137 HB ILE 15 HB ILE 15 -0.096 -2.477 -8.739 138 HG12 ILE 15 2HG1 ILE 15 -1.475 -2.949 -6.540 139 HG13 ILE 15 3HG1 ILE 15 -2.065 -1.804 -7.740 140 HG21 ILE 15 1HG2 ILE 15 -0.623 -3.764 -10.611 141 HG22 ILE 15 2HG2 ILE 15 -1.766 -4.766 -9.717 142 HG23 ILE 15 3HG2 ILE 15 -2.177 -3.097 -10.111 143 HD11 ILE 15 1HD1 ILE 15 -3.773 -3.159 -8.390 144 HD12 ILE 15 2HD1 ILE 15 -2.909 -4.639 -7.973 145 HD13 ILE 15 3HD1 ILE 15 -3.623 -3.647 -6.702 146 H THR 16 H THR 16 2.323 -3.270 -8.023 147 HA THR 16 HA THR 16 2.511 -2.913 -5.103 148 HB THR 16 HB THR 16 4.913 -2.991 -5.279 149 HG1 THR 16 HG1 THR 16 5.713 -2.361 -7.133 150 HG21 THR 16 1HG2 THR 16 4.799 -5.212 -5.165 151 HG22 THR 16 2HG2 THR 16 4.676 -5.310 -6.922 152 HG23 THR 16 3HG2 THR 16 3.217 -5.164 -5.942 153 H SER 17 H SER 17 1.098 -0.980 -6.039 154 HA SER 17 HA SER 17 2.701 1.351 -5.732 155 HB2 SER 17 2HB SER 17 3.301 1.226 -7.994 156 HB3 SER 17 3HB SER 17 1.715 0.629 -8.480 157 HG SER 17 HG SER 17 1.655 2.717 -9.049 158 H LEU 18 H LEU 18 1.141 1.526 -4.036 159 HA LEU 18 HA LEU 18 -1.564 2.266 -4.921 160 HB2 LEU 18 2HB LEU 18 -0.630 0.648 -2.808 161 HB3 LEU 18 3HB LEU 18 -1.321 2.094 -2.075 162 HG LEU 18 HG LEU 18 -2.719 0.138 -3.896 163 HD11 LEU 18 1HD1 LEU 18 -2.777 -0.872 -1.847 164 HD12 LEU 18 2HD1 LEU 18 -4.208 0.152 -1.728 165 HD13 LEU 18 3HD1 LEU 18 -2.699 0.654 -0.966 166 HD21 LEU 18 1HD2 LEU 18 -4.734 1.566 -3.303 167 HD22 LEU 18 2HD2 LEU 18 -3.603 2.241 -4.477 168 HD23 LEU 18 3HD2 LEU 18 -3.580 2.803 -2.805 169 H THR 19 H THR 19 -2.562 4.140 -4.051 170 HA THR 19 HA THR 19 -0.723 6.334 -3.698 171 HB THR 19 HB THR 19 -3.601 6.845 -3.288 172 HG1 THR 19 HG1 THR 19 -2.572 5.668 -5.653 173 HG21 THR 19 1HG2 THR 19 -1.261 8.194 -4.243 174 HG22 THR 19 2HG2 THR 19 -2.845 8.864 -3.850 175 HG23 THR 19 3HG2 THR 19 -2.520 8.261 -5.475 176 H ASP 20 H ASP 20 -1.511 8.059 -2.000 177 HA ASP 20 HA ASP 20 -1.947 6.680 0.567 178 HB2 ASP 20 2HB ASP 20 -0.518 8.781 1.392 179 HB3 ASP 20 3HB ASP 20 0.236 7.269 0.896 180 H ASP 21 H ASP 21 -3.214 8.796 -1.589 181 HA ASP 21 HA ASP 21 -4.330 10.644 0.373 182 HB2 ASP 21 2HB ASP 21 -4.705 10.535 -2.628 183 HB3 ASP 21 3HB ASP 21 -5.268 11.820 -1.564 184 H ASN 22 H ASN 22 -5.439 8.249 -2.003 185 HA ASN 22 HA ASN 22 -7.985 8.102 -0.527 186 HB2 ASN 22 2HB ASN 22 -7.426 8.289 -3.423 187 HB3 ASN 22 3HB ASN 22 -8.648 7.107 -2.964 188 HD21 ASN 22 1HD2 ASN 22 -10.108 8.109 -1.101 189 HD22 ASN 22 2HD2 ASN 22 -10.790 9.641 -1.516 190 H THR 23 H THR 23 -5.784 6.258 -2.629 191 HA THR 23 HA THR 23 -5.154 4.070 -2.629 192 HB THR 23 HB THR 23 -6.189 4.141 0.211 193 HG1 THR 23 HG1 THR 23 -3.953 4.359 0.685 194 HG21 THR 23 1HG2 THR 23 -4.196 2.177 -0.101 195 HG22 THR 23 2HG2 THR 23 -5.350 1.928 -1.412 196 HG23 THR 23 3HG2 THR 23 -5.904 1.932 0.263 197 H ILE 24 H ILE 24 -7.827 3.546 -0.390 198 HA ILE 24 HA ILE 24 -8.912 1.413 -1.848 199 HB ILE 24 HB ILE 24 -10.243 3.172 0.215 200 HG12 ILE 24 2HG1 ILE 24 -9.783 0.811 1.443 201 HG13 ILE 24 3HG1 ILE 24 -8.422 0.836 0.326 202 HG21 ILE 24 1HG2 ILE 24 -11.107 0.615 -1.096 203 HG22 ILE 24 2HG2 ILE 24 -11.699 1.088 0.495 204 HG23 ILE 24 3HG2 ILE 24 -12.009 2.118 -0.902 205 HD11 ILE 24 1HD1 ILE 24 -8.622 2.094 2.811 206 HD12 ILE 24 2HD1 ILE 24 -7.329 2.252 1.621 207 HD13 ILE 24 3HD1 ILE 24 -8.682 3.383 1.610 208 H ALA 25 H ALA 25 -10.332 4.655 -1.374 209 HA ALA 25 HA ALA 25 -12.405 4.434 -3.191 210 HB1 ALA 25 1HB ALA 25 -11.676 6.347 -1.506 211 HB2 ALA 25 2HB ALA 25 -11.042 7.062 -2.989 212 HB3 ALA 25 3HB ALA 25 -12.755 6.660 -2.866 213 H GLU 26 H GLU 26 -9.039 5.336 -3.751 214 HA GLU 26 HA GLU 26 -9.376 6.091 -6.466 215 HB2 GLU 26 2HB GLU 26 -7.385 6.450 -4.735 216 HB3 GLU 26 3HB GLU 26 -6.770 5.002 -5.519 217 HG2 GLU 26 2HG GLU 26 -6.166 6.120 -7.341 218 HG3 GLU 26 3HG GLU 26 -7.701 6.982 -7.424 219 H LEU 27 H LEU 27 -8.522 3.064 -4.866 220 HA LEU 27 HA LEU 27 -7.890 1.618 -7.213 221 HB2 LEU 27 2HB LEU 27 -8.146 1.100 -4.394 222 HB3 LEU 27 3HB LEU 27 -8.892 -0.196 -5.327 223 HG LEU 27 HG LEU 27 -6.514 -0.601 -4.686 224 HD11 LEU 27 1HD1 LEU 27 -6.510 -0.469 -7.642 225 HD12 LEU 27 2HD1 LEU 27 -7.822 -1.367 -6.879 226 HD13 LEU 27 3HD1 LEU 27 -6.146 -1.816 -6.562 227 HD21 LEU 27 1HD2 LEU 27 -5.727 1.344 -6.815 228 HD22 LEU 27 2HD2 LEU 27 -4.758 0.649 -5.515 229 HD23 LEU 27 3HD2 LEU 27 -5.955 1.894 -5.154 230 H LYS 28 H LYS 28 -10.852 1.750 -5.244 231 HA LYS 28 HA LYS 28 -12.365 0.040 -6.910 232 HB2 LYS 28 2HB LYS 28 -14.309 0.871 -5.678 233 HB3 LYS 28 3HB LYS 28 -12.984 0.495 -4.584 234 HG2 LYS 28 2HG LYS 28 -12.406 2.932 -4.594 235 HG3 LYS 28 3HG LYS 28 -13.904 3.213 -5.485 236 HD2 LYS 28 2HD LYS 28 -13.678 1.940 -2.757 237 HD3 LYS 28 3HD LYS 28 -14.212 3.590 -3.089 238 HE2 LYS 28 2HE LYS 28 -16.280 2.753 -3.161 239 HE3 LYS 28 3HE LYS 28 -15.826 2.057 -4.716 240 HZ1 LYS 28 1HZ LYS 28 -14.891 0.183 -3.139 241 HZ2 LYS 28 2HZ LYS 28 -16.503 0.191 -3.651 242 HZ3 LYS 28 3HZ LYS 28 -16.102 0.765 -2.111 243 H GLY 29 H GLY 29 -11.978 3.554 -6.796 244 HA2 GLY 29 2HA GLY 29 -13.960 4.148 -8.734 245 HA3 GLY 29 3HA GLY 29 -12.647 5.208 -8.244 246 H LYS 30 H LYS 30 -10.559 3.317 -8.976 247 HA LYS 30 HA LYS 30 -10.266 4.073 -11.707 248 HB2 LYS 30 2HB LYS 30 -8.660 2.547 -9.719 249 HB3 LYS 30 3HB LYS 30 -8.287 2.304 -11.421 250 HG2 LYS 30 2HG LYS 30 -8.554 5.113 -10.726 251 HG3 LYS 30 3HG LYS 30 -7.292 4.293 -9.803 252 HD2 LYS 30 2HD LYS 30 -6.156 3.627 -11.770 253 HD3 LYS 30 3HD LYS 30 -7.526 4.061 -12.795 254 HE2 LYS 30 2HE LYS 30 -5.711 5.708 -12.935 255 HE3 LYS 30 3HE LYS 30 -7.193 6.410 -12.287 256 HZ1 LYS 30 1HZ LYS 30 -4.865 6.809 -11.160 257 HZ2 LYS 30 2HZ LYS 30 -5.243 5.356 -10.381 258 HZ3 LYS 30 3HZ LYS 30 -6.281 6.685 -10.242 259 H LEU 31 H LEU 31 -11.211 1.125 -10.053 260 HA LEU 31 HA LEU 31 -11.071 -0.580 -12.319 261 HB2 LEU 31 2HB LEU 31 -11.237 -1.114 -9.766 262 HB3 LEU 31 3HB LEU 31 -12.973 -1.057 -10.066 263 HG LEU 31 HG LEU 31 -12.111 -3.346 -10.106 264 HD11 LEU 31 1HD1 LEU 31 -13.945 -2.348 -11.713 265 HD12 LEU 31 2HD1 LEU 31 -13.403 -4.019 -11.862 266 HD13 LEU 31 3HD1 LEU 31 -12.767 -2.786 -12.950 267 HD21 LEU 31 1HD2 LEU 31 -10.478 -4.108 -11.575 268 HD22 LEU 31 2HD2 LEU 31 -9.840 -2.554 -11.035 269 HD23 LEU 31 3HD2 LEU 31 -10.612 -2.690 -12.616 270 H GLU 32 H GLU 32 -13.702 1.258 -10.814 271 HA GLU 32 HA GLU 32 -15.727 0.338 -12.574 272 HB2 GLU 32 2HB GLU 32 -17.032 2.266 -11.710 273 HB3 GLU 32 3HB GLU 32 -16.330 1.278 -10.436 274 HG2 GLU 32 2HG GLU 32 -14.503 2.917 -10.213 275 HG3 GLU 32 3HG GLU 32 -15.292 3.923 -11.426 276 H GLU 33 H GLU 33 -13.628 3.186 -12.567 277 HA GLU 33 HA GLU 33 -14.806 4.424 -14.830 278 HB2 GLU 33 2HB GLU 33 -13.244 5.436 -13.034 279 HB3 GLU 33 3HB GLU 33 -11.936 4.800 -14.021 280 HG2 GLU 33 2HG GLU 33 -12.145 6.410 -15.548 281 HG3 GLU 33 3HG GLU 33 -13.905 6.318 -15.542 282 H SER 34 H SER 34 -12.259 2.054 -14.414 283 HA SER 34 HA SER 34 -11.161 2.181 -17.004 284 HB2 SER 34 2HB SER 34 -10.054 1.047 -15.105 285 HB3 SER 34 3HB SER 34 -11.299 -0.202 -15.140 286 HG SER 34 HG SER 34 -9.535 0.425 -17.276 287 H GLU 35 H GLU 35 -13.746 0.176 -15.635 288 HA GLU 35 HA GLU 35 -14.260 -1.084 -18.191 289 HB2 GLU 35 2HB GLU 35 -15.454 -1.330 -15.445 290 HB3 GLU 35 3HB GLU 35 -16.250 -2.046 -16.839 291 HG2 GLU 35 2HG GLU 35 -13.397 -2.625 -16.099 292 HG3 GLU 35 3HG GLU 35 -14.763 -3.576 -15.519 293 H GLY 36 H GLY 36 -15.021 1.844 -16.853 294 HA2 GLY 36 2HA GLY 36 -16.328 3.492 -17.899 295 HA3 GLY 36 3HA GLY 36 -17.185 2.228 -18.769 296 H ILE 37 H ILE 37 -17.989 0.609 -16.663 297 HA ILE 37 HA ILE 37 -19.556 2.362 -14.913 298 HB ILE 37 HB ILE 37 -21.546 0.833 -15.314 299 HG12 ILE 37 2HG1 ILE 37 -20.506 0.284 -18.034 300 HG13 ILE 37 3HG1 ILE 37 -19.826 -0.687 -16.733 301 HG21 ILE 37 1HG2 ILE 37 -22.382 2.462 -16.594 302 HG22 ILE 37 2HG2 ILE 37 -20.778 3.186 -16.492 303 HG23 ILE 37 3HG2 ILE 37 -21.205 2.180 -17.876 304 HD11 ILE 37 1HD1 ILE 37 -22.376 -0.988 -16.119 305 HD12 ILE 37 2HD1 ILE 37 -22.572 -0.644 -17.837 306 HD13 ILE 37 3HD1 ILE 37 -21.576 -2.003 -17.318 307 HA PRO 38 HA PRO 38 -18.646 -0.568 -11.772 308 HB2 PRO 38 2HB PRO 38 -20.854 -0.368 -10.206 309 HB3 PRO 38 3HB PRO 38 -19.620 0.894 -10.292 310 HG2 PRO 38 2HG PRO 38 -22.268 0.739 -11.678 311 HG3 PRO 38 3HG PRO 38 -21.501 2.126 -10.884 312 HD2 PRO 38 2HD PRO 38 -21.477 1.788 -13.571 313 HD3 PRO 38 3HD PRO 38 -20.147 2.573 -12.695 314 H GLY 39 H GLY 39 -18.812 -2.722 -11.497 315 HA2 GLY 39 2HA GLY 39 -20.273 -4.366 -13.152 316 HA3 GLY 39 3HA GLY 39 -19.642 -4.865 -11.589 317 H ASN 40 H ASN 40 -21.140 -3.363 -9.852 318 HA ASN 40 HA ASN 40 -23.877 -3.219 -10.309 319 HB2 ASN 40 2HB ASN 40 -22.994 -5.904 -10.146 320 HB3 ASN 40 3HB ASN 40 -23.844 -5.558 -8.643 321 HD21 ASN 40 1HD2 ASN 40 -26.026 -4.940 -8.726 322 HD22 ASN 40 2HD2 ASN 40 -27.008 -5.291 -10.104 323 H MET 41 H MET 41 -22.087 -4.810 -7.667 324 HA MET 41 HA MET 41 -23.119 -2.756 -5.841 325 HB2 MET 41 2HB MET 41 -23.707 -4.862 -5.006 326 HB3 MET 41 3HB MET 41 -22.162 -5.575 -5.450 327 HG2 MET 41 2HG MET 41 -22.318 -5.335 -3.056 328 HG3 MET 41 3HG MET 41 -21.063 -4.276 -3.695 329 HE1 MET 41 1HE MET 41 -23.588 -4.325 -0.963 330 HE2 MET 41 2HE MET 41 -24.817 -3.147 -1.425 331 HE3 MET 41 3HE MET 41 -24.619 -4.629 -2.362 332 H ILE 42 H ILE 42 -20.146 -4.350 -6.878 333 HA ILE 42 HA ILE 42 -17.941 -3.873 -6.521 334 HB ILE 42 HB ILE 42 -18.873 -1.005 -6.465 335 HG12 ILE 42 2HG1 ILE 42 -19.896 -2.114 -8.375 336 HG13 ILE 42 3HG1 ILE 42 -18.604 -1.054 -8.927 337 HG21 ILE 42 1HG2 ILE 42 -16.278 -2.369 -6.756 338 HG22 ILE 42 2HG2 ILE 42 -16.570 -1.025 -7.859 339 HG23 ILE 42 3HG2 ILE 42 -16.657 -0.770 -6.117 340 HD11 ILE 42 1HD1 ILE 42 -17.536 -3.653 -8.454 341 HD12 ILE 42 2HD1 ILE 42 -18.966 -3.782 -9.478 342 HD13 ILE 42 3HD1 ILE 42 -17.627 -2.741 -9.960 343 H ARG 43 H ARG 43 -18.797 -4.735 -4.221 344 HA ARG 43 HA ARG 43 -17.810 -2.797 -2.233 345 HB2 ARG 43 2HB ARG 43 -20.251 -3.284 -2.030 346 HB3 ARG 43 3HB ARG 43 -19.850 -4.973 -1.750 347 HG2 ARG 43 2HG ARG 43 -19.379 -4.609 0.393 348 HG3 ARG 43 3HG ARG 43 -18.405 -3.185 0.021 349 HD2 ARG 43 2HD ARG 43 -21.266 -2.764 -0.362 350 HD3 ARG 43 3HD ARG 43 -20.839 -3.186 1.296 351 HE ARG 43 HE ARG 43 -19.117 -1.172 0.278 352 HH11 ARG 43 1HH1 ARG 43 -22.325 -1.700 1.523 353 HH12 ARG 43 2HH1 ARG 43 -22.505 -0.080 2.112 354 HH21 ARG 43 1HH2 ARG 43 -19.342 0.964 1.048 355 HH22 ARG 43 2HH2 ARG 43 -20.807 1.434 1.840 356 H LEU 44 H LEU 44 -15.875 -3.384 -1.526 357 HA LEU 44 HA LEU 44 -15.205 -6.244 -1.417 358 HB2 LEU 44 2HB LEU 44 -12.874 -5.536 -1.394 359 HB3 LEU 44 3HB LEU 44 -13.730 -4.900 -2.797 360 HG LEU 44 HG LEU 44 -13.974 -2.806 -1.127 361 HD11 LEU 44 1HD1 LEU 44 -11.997 -4.489 0.084 362 HD12 LEU 44 2HD1 LEU 44 -12.642 -2.945 0.639 363 HD13 LEU 44 3HD1 LEU 44 -11.257 -2.981 -0.452 364 HD21 LEU 44 1HD2 LEU 44 -12.333 -1.739 -2.435 365 HD22 LEU 44 2HD2 LEU 44 -13.032 -2.978 -3.477 366 HD23 LEU 44 3HD2 LEU 44 -11.462 -3.246 -2.718 367 H VAL 45 H VAL 45 -13.990 -7.036 0.407 368 HA VAL 45 HA VAL 45 -14.537 -5.524 2.879 369 HB VAL 45 HB VAL 45 -15.904 -7.560 2.710 370 HG11 VAL 45 1HG1 VAL 45 -13.696 -8.680 1.529 371 HG12 VAL 45 2HG1 VAL 45 -13.703 -9.430 3.127 372 HG13 VAL 45 3HG1 VAL 45 -15.121 -9.559 2.084 373 HG21 VAL 45 1HG2 VAL 45 -15.367 -6.861 4.915 374 HG22 VAL 45 2HG2 VAL 45 -15.146 -8.610 4.871 375 HG23 VAL 45 3HG2 VAL 45 -13.744 -7.543 4.808 376 H TYR 46 H TYR 46 -12.853 -5.036 4.133 377 HA TYR 46 HA TYR 46 -10.252 -6.233 3.472 378 HB2 TYR 46 2HB TYR 46 -10.972 -3.582 3.673 379 HB3 TYR 46 3HB TYR 46 -10.228 -3.896 5.237 380 HD1 TYR 46 HD1 TYR 46 -7.927 -5.224 5.088 381 HD2 TYR 46 HD2 TYR 46 -9.605 -2.899 1.945 382 HE1 TYR 46 HE1 TYR 46 -5.696 -4.989 4.079 383 HE2 TYR 46 HE2 TYR 46 -7.379 -2.658 0.927 384 HH TYR 46 HH TYR 46 -5.213 -3.853 0.933 385 H GLN 47 H GLN 47 -9.595 -7.778 4.799 386 HA GLN 47 HA GLN 47 -9.269 -9.047 6.660 387 HB2 GLN 47 2HB GLN 47 -8.456 -6.495 7.261 388 HB3 GLN 47 3HB GLN 47 -9.565 -6.848 8.580 389 HG2 GLN 47 2HG GLN 47 -8.301 -8.734 9.255 390 HG3 GLN 47 3HG GLN 47 -7.317 -8.678 7.794 391 HE21 GLN 47 1HE2 GLN 47 -6.473 -6.209 7.554 392 HE22 GLN 47 2HE2 GLN 47 -5.582 -5.685 8.938 393 H GLY 48 H GLY 48 -11.976 -8.732 5.751 394 HA2 GLY 48 2HA GLY 48 -14.005 -9.576 6.476 395 HA3 GLY 48 3HA GLY 48 -13.323 -9.732 8.088 396 H LYS 49 H LYS 49 -12.805 -6.641 6.922 397 HA LYS 49 HA LYS 49 -15.190 -5.646 8.341 398 HB2 LYS 49 2HB LYS 49 -12.416 -5.090 8.733 399 HB3 LYS 49 3HB LYS 49 -13.201 -3.619 8.171 400 HG2 LYS 49 2HG LYS 49 -13.220 -3.661 10.568 401 HG3 LYS 49 3HG LYS 49 -14.870 -3.863 9.975 402 HD2 LYS 49 2HD LYS 49 -14.485 -5.404 11.788 403 HD3 LYS 49 3HD LYS 49 -14.632 -6.311 10.281 404 HE2 LYS 49 2HE LYS 49 -12.219 -6.514 10.139 405 HE3 LYS 49 3HE LYS 49 -12.028 -5.528 11.588 406 HZ1 LYS 49 1HZ LYS 49 -13.696 -7.911 11.811 407 HZ2 LYS 49 2HZ LYS 49 -12.637 -7.223 12.936 408 HZ3 LYS 49 3HZ LYS 49 -12.029 -8.156 11.662 409 H GLN 50 H GLN 50 -15.943 -3.485 7.628 410 HA GLN 50 HA GLN 50 -15.558 -3.137 4.727 411 HB2 GLN 50 2HB GLN 50 -18.064 -2.688 6.356 412 HB3 GLN 50 3HB GLN 50 -17.893 -2.313 4.647 413 HG2 GLN 50 2HG GLN 50 -17.105 -4.978 4.902 414 HG3 GLN 50 3HG GLN 50 -18.533 -4.806 5.921 415 HE21 GLN 50 1HE2 GLN 50 -20.064 -5.767 4.739 416 HE22 GLN 50 2HE2 GLN 50 -20.509 -5.312 3.134 417 H LEU 51 H LEU 51 -16.234 -0.878 3.996 418 HA LEU 51 HA LEU 51 -15.865 1.365 4.004 419 HB2 LEU 51 2HB LEU 51 -15.943 1.381 6.992 420 HB3 LEU 51 3HB LEU 51 -16.519 2.599 5.855 421 HG LEU 51 HG LEU 51 -17.837 -0.063 6.392 422 HD11 LEU 51 1HD1 LEU 51 -19.640 1.480 7.315 423 HD12 LEU 51 2HD1 LEU 51 -18.390 2.723 7.363 424 HD13 LEU 51 3HD1 LEU 51 -18.198 1.244 8.303 425 HD21 LEU 51 1HD2 LEU 51 -18.762 0.286 4.391 426 HD22 LEU 51 2HD2 LEU 51 -18.150 1.937 4.298 427 HD23 LEU 51 3HD2 LEU 51 -19.650 1.600 5.163 428 H GLU 52 H GLU 52 -13.762 1.336 3.268 429 HA GLU 52 HA GLU 52 -11.692 1.642 5.342 430 HB2 GLU 52 2HB GLU 52 -11.354 0.398 2.607 431 HB3 GLU 52 3HB GLU 52 -10.080 0.629 3.795 432 HG2 GLU 52 2HG GLU 52 -12.430 -0.877 4.725 433 HG3 GLU 52 3HG GLU 52 -11.455 -1.659 3.481 434 H ASP 53 H ASP 53 -13.418 3.201 3.033 435 HA ASP 53 HA ASP 53 -11.592 4.669 1.540 436 HB2 ASP 53 2HB ASP 53 -14.180 4.608 1.424 437 HB3 ASP 53 3HB ASP 53 -14.114 5.908 2.611 438 H GLU 54 H GLU 54 -12.690 5.118 4.845 439 HA GLU 54 HA GLU 54 -11.528 7.692 5.202 440 HB2 GLU 54 2HB GLU 54 -13.221 6.044 6.668 441 HB3 GLU 54 3HB GLU 54 -11.759 6.124 7.641 442 HG2 GLU 54 2HG GLU 54 -12.487 8.733 6.665 443 HG3 GLU 54 3HG GLU 54 -13.823 7.984 7.537 444 H LYS 55 H LYS 55 -10.266 4.517 5.143 445 HA LYS 55 HA LYS 55 -7.833 5.322 6.570 446 HB2 LYS 55 2HB LYS 55 -8.936 2.643 5.744 447 HB3 LYS 55 3HB LYS 55 -7.274 2.836 6.288 448 HG2 LYS 55 2HG LYS 55 -8.317 2.231 8.234 449 HG3 LYS 55 3HG LYS 55 -8.382 3.991 8.348 450 HD2 LYS 55 2HD LYS 55 -10.677 3.408 6.972 451 HD3 LYS 55 3HD LYS 55 -10.546 2.040 8.080 452 HE2 LYS 55 2HE LYS 55 -10.220 4.864 9.038 453 HE3 LYS 55 3HE LYS 55 -11.817 4.137 8.863 454 HZ1 LYS 55 1HZ LYS 55 -10.368 3.979 11.083 455 HZ2 LYS 55 2HZ LYS 55 -9.859 2.560 10.316 456 HZ3 LYS 55 3HZ LYS 55 -11.502 2.807 10.632 457 H ARG 56 H ARG 56 -8.370 6.423 3.995 458 HA ARG 56 HA ARG 56 -7.234 5.180 1.822 459 HB2 ARG 56 2HB ARG 56 -6.481 7.624 1.233 460 HB3 ARG 56 3HB ARG 56 -8.189 7.208 1.289 461 HG2 ARG 56 2HG ARG 56 -7.299 8.036 3.886 462 HG3 ARG 56 3HG ARG 56 -6.873 9.249 2.677 463 HD2 ARG 56 2HD ARG 56 -9.437 8.550 1.974 464 HD3 ARG 56 3HD ARG 56 -9.482 8.487 3.736 465 HE ARG 56 HE ARG 56 -9.270 10.827 2.097 466 HH11 ARG 56 1HH1 ARG 56 -8.507 9.463 5.209 467 HH12 ARG 56 2HH1 ARG 56 -8.442 10.998 6.010 468 HH21 ARG 56 1HH2 ARG 56 -9.187 12.853 3.142 469 HH22 ARG 56 2HH2 ARG 56 -8.830 12.925 4.834 470 H LEU 57 H LEU 57 -5.470 7.577 3.789 471 HA LEU 57 HA LEU 57 -2.934 6.731 2.827 472 HB2 LEU 57 2HB LEU 57 -3.695 9.002 3.846 473 HB3 LEU 57 3HB LEU 57 -3.289 8.241 5.383 474 HG LEU 57 HG LEU 57 -1.277 8.339 3.166 475 HD11 LEU 57 1HD1 LEU 57 -0.683 10.494 3.540 476 HD12 LEU 57 2HD1 LEU 57 -1.245 10.479 5.211 477 HD13 LEU 57 3HD1 LEU 57 -2.405 10.640 3.893 478 HD21 LEU 57 1HD2 LEU 57 -0.080 7.296 4.716 479 HD22 LEU 57 2HD2 LEU 57 -1.365 7.490 5.909 480 HD23 LEU 57 3HD2 LEU 57 -0.156 8.758 5.699 481 H LYS 58 H LYS 58 -4.840 5.996 5.683 482 HA LYS 58 HA LYS 58 -2.884 4.742 7.233 483 HB2 LYS 58 2HB LYS 58 -5.707 5.072 7.305 484 HB3 LYS 58 3HB LYS 58 -5.368 3.363 7.545 485 HG2 LYS 58 2HG LYS 58 -3.605 5.030 9.118 486 HG3 LYS 58 3HG LYS 58 -5.304 5.355 9.465 487 HD2 LYS 58 2HD LYS 58 -5.587 2.836 9.664 488 HD3 LYS 58 3HD LYS 58 -3.824 2.744 9.671 489 HE2 LYS 58 2HE LYS 58 -4.146 2.891 11.910 490 HE3 LYS 58 3HE LYS 58 -4.150 4.615 11.545 491 HZ1 LYS 58 1HZ LYS 58 -6.320 2.903 12.406 492 HZ2 LYS 58 2HZ LYS 58 -6.722 3.993 11.178 493 HZ3 LYS 58 3HZ LYS 58 -6.091 4.563 12.640 494 H ASP 59 H ASP 59 -4.610 3.650 4.423 495 HA ASP 59 HA ASP 59 -3.862 0.878 4.784 496 HB2 ASP 59 2HB ASP 59 -5.528 2.419 2.885 497 HB3 ASP 59 3HB ASP 59 -4.736 0.991 2.225 498 H TYR 60 H TYR 60 -2.427 3.675 3.531 499 HA TYR 60 HA TYR 60 -0.835 2.422 1.498 500 HB2 TYR 60 2HB TYR 60 -1.381 4.791 1.331 501 HB3 TYR 60 3HB TYR 60 -0.566 5.112 2.858 502 HD1 TYR 60 HD1 TYR 60 1.675 5.740 2.859 503 HD2 TYR 60 HD2 TYR 60 0.074 3.796 -0.570 504 HE1 TYR 60 HE1 TYR 60 3.780 6.145 1.655 505 HE2 TYR 60 HE2 TYR 60 2.176 4.194 -1.784 506 HH TYR 60 HH TYR 60 4.681 6.234 -0.500 507 H GLN 61 H GLN 61 -0.609 2.843 4.907 508 HA GLN 61 HA GLN 61 2.253 2.409 5.006 509 HB2 GLN 61 2HB GLN 61 2.124 2.850 7.281 510 HB3 GLN 61 3HB GLN 61 0.808 3.824 6.639 511 HG2 GLN 61 2HG GLN 61 -0.667 1.779 7.159 512 HG3 GLN 61 3HG GLN 61 0.678 1.265 8.177 513 HE21 GLN 61 1HE2 GLN 61 -0.916 4.367 7.510 514 HE22 GLN 61 2HE2 GLN 61 -1.190 4.776 9.166 515 H MET 62 H MET 62 -0.401 0.473 4.563 516 HA MET 62 HA MET 62 0.454 -1.778 6.150 517 HB2 MET 62 2HB MET 62 -1.563 -1.812 3.908 518 HB3 MET 62 3HB MET 62 -1.434 -2.928 5.261 519 HG2 MET 62 2HG MET 62 -1.970 -0.029 5.738 520 HG3 MET 62 3HG MET 62 -3.273 -1.119 5.272 521 HE1 MET 62 1HE MET 62 -0.419 -0.379 7.424 522 HE2 MET 62 2HE MET 62 -1.377 -0.004 8.856 523 HE3 MET 62 3HE MET 62 -0.478 -1.519 8.768 524 H SER 63 H SER 63 0.114 -1.220 2.640 525 HA SER 63 HA SER 63 1.135 -2.189 0.848 526 HB2 SER 63 2HB SER 63 3.575 -2.462 2.597 527 HB3 SER 63 3HB SER 63 3.500 -2.152 0.863 528 HG SER 63 HG SER 63 3.377 -0.402 2.957 529 H ALA 64 H ALA 64 -0.283 -3.962 2.610 530 HA ALA 64 HA ALA 64 0.468 -6.438 1.544 531 HB1 ALA 64 1HB ALA 64 2.216 -5.811 3.507 532 HB2 ALA 64 2HB ALA 64 0.987 -6.677 4.429 533 HB3 ALA 64 3HB ALA 64 1.778 -7.460 3.061 534 H GLY 65 H GLY 65 -1.916 -5.082 1.750 535 HA2 GLY 65 2HA GLY 65 -3.420 -6.679 3.731 536 HA3 GLY 65 3HA GLY 65 -3.909 -5.080 3.191 537 H ALA 66 H ALA 66 -4.329 -8.374 2.765 538 HA ALA 66 HA ALA 66 -4.902 -8.571 0.021 539 HB1 ALA 66 1HB ALA 66 -4.783 -10.339 2.068 540 HB2 ALA 66 2HB ALA 66 -6.526 -10.246 1.808 541 HB3 ALA 66 3HB ALA 66 -5.459 -10.701 0.479 542 H THR 67 H THR 67 -6.657 -8.098 -1.179 543 HA THR 67 HA THR 67 -9.023 -7.032 0.219 544 HB THR 67 HB THR 67 -8.899 -5.918 -2.392 545 HG1 THR 67 HG1 THR 67 -6.449 -6.009 -1.025 546 HG21 THR 67 1HG2 THR 67 -8.318 -3.865 -0.690 547 HG22 THR 67 2HG2 THR 67 -9.045 -5.042 0.404 548 HG23 THR 67 3HG2 THR 67 -9.939 -4.480 -1.008 549 H PHE 68 H PHE 68 -11.011 -7.641 -0.521 550 HA PHE 68 HA PHE 68 -11.096 -9.405 -2.874 551 HB2 PHE 68 2HB PHE 68 -11.187 -10.883 -0.992 552 HB3 PHE 68 3HB PHE 68 -12.368 -9.865 -0.174 553 HD1 PHE 68 HD1 PHE 68 -14.698 -9.836 -0.895 554 HD2 PHE 68 HD2 PHE 68 -11.841 -12.414 -2.713 555 HE1 PHE 68 HE1 PHE 68 -16.524 -11.158 -1.881 556 HE2 PHE 68 HE2 PHE 68 -13.662 -13.740 -3.702 557 HZ PHE 68 HZ PHE 68 -16.007 -13.113 -3.288 558 H HIS 69 H HIS 69 -12.315 -8.451 -4.355 559 HA HIS 69 HA HIS 69 -14.413 -6.597 -3.568 560 HB2 HIS 69 2HB HIS 69 -13.329 -7.354 -6.289 561 HB3 HIS 69 3HB HIS 69 -14.571 -6.136 -6.011 562 HD1 HIS 69 HD1 HIS 69 -13.464 -3.966 -6.456 563 HD2 HIS 69 HD2 HIS 69 -11.075 -6.489 -4.179 564 HE1 HIS 69 HE1 HIS 69 -11.439 -2.605 -5.846 565 H MET 70 H MET 70 -16.581 -6.855 -3.983 566 HA MET 70 HA MET 70 -17.423 -9.465 -5.053 567 HB2 MET 70 2HB MET 70 -17.637 -9.521 -2.625 568 HB3 MET 70 3HB MET 70 -18.569 -8.030 -2.651 569 HG2 MET 70 2HG MET 70 -20.446 -9.154 -2.948 570 HG3 MET 70 3HG MET 70 -19.794 -9.942 -4.382 571 HE1 MET 70 1HE MET 70 -20.539 -12.651 -4.150 572 HE2 MET 70 2HE MET 70 -18.944 -12.058 -4.615 573 HE3 MET 70 3HE MET 70 -19.090 -13.397 -3.475 574 H VAL 71 H VAL 71 -19.015 -9.411 -6.530 575 HA VAL 71 HA VAL 71 -20.484 -6.881 -6.889 576 HB VAL 71 HB VAL 71 -19.556 -8.654 -9.149 577 HG11 VAL 71 1HG1 VAL 71 -20.732 -5.876 -9.145 578 HG12 VAL 71 2HG1 VAL 71 -20.229 -6.793 -10.566 579 HG13 VAL 71 3HG1 VAL 71 -21.586 -7.354 -9.590 580 HG21 VAL 71 1HG2 VAL 71 -18.112 -6.495 -9.568 581 HG22 VAL 71 2HG2 VAL 71 -18.270 -6.318 -7.820 582 HG23 VAL 71 3HG2 VAL 71 -17.541 -7.775 -8.497 583 H VAL 72 H VAL 72 -22.530 -7.285 -6.365 584 HA VAL 72 HA VAL 72 -23.695 -9.896 -7.033 585 HB VAL 72 HB VAL 72 -23.977 -9.335 -4.721 586 HG11 VAL 72 1HG1 VAL 72 -25.676 -7.081 -4.740 587 HG12 VAL 72 2HG1 VAL 72 -24.052 -7.216 -4.062 588 HG13 VAL 72 3HG1 VAL 72 -24.271 -6.679 -5.728 589 HG21 VAL 72 1HG2 VAL 72 -25.872 -10.424 -5.830 590 HG22 VAL 72 2HG2 VAL 72 -26.405 -9.381 -4.512 591 HG23 VAL 72 3HG2 VAL 72 -26.571 -8.844 -6.183 592 H ALA 73 H ALA 73 -24.727 -9.975 -8.913 593 HA ALA 73 HA ALA 73 -26.314 -7.632 -9.742 594 HB1 ALA 73 1HB ALA 73 -25.125 -9.627 -11.650 595 HB2 ALA 73 2HB ALA 73 -25.790 -8.031 -12.002 596 HB3 ALA 73 3HB ALA 73 -24.262 -8.178 -11.134 597 H LEU 74 H LEU 74 -28.323 -8.202 -9.077 598 HA LEU 74 HA LEU 74 -29.347 -10.828 -9.925 599 HB2 LEU 74 2HB LEU 74 -29.709 -9.202 -7.521 600 HB3 LEU 74 3HB LEU 74 -31.215 -9.826 -8.192 601 HG LEU 74 HG LEU 74 -30.303 -11.269 -6.428 602 HD11 LEU 74 1HD1 LEU 74 -30.003 -13.332 -8.137 603 HD12 LEU 74 2HD1 LEU 74 -30.775 -12.152 -9.195 604 HD13 LEU 74 3HD1 LEU 74 -31.562 -12.638 -7.694 605 HD21 LEU 74 1HD2 LEU 74 -28.233 -12.318 -6.543 606 HD22 LEU 74 2HD2 LEU 74 -27.884 -10.683 -7.105 607 HD23 LEU 74 3HD2 LEU 74 -28.055 -11.999 -8.268 608 H ARG 75 H ARG 75 -29.772 -7.391 -10.143 609 HA ARG 75 HA ARG 75 -32.392 -7.536 -11.336 610 HB2 ARG 75 2HB ARG 75 -31.078 -5.566 -10.029 611 HB3 ARG 75 3HB ARG 75 -30.767 -5.091 -11.693 612 HG2 ARG 75 2HG ARG 75 -32.730 -4.054 -11.610 613 HG3 ARG 75 3HG ARG 75 -33.458 -5.659 -11.701 614 HD2 ARG 75 2HD ARG 75 -32.796 -5.334 -9.019 615 HD3 ARG 75 3HD ARG 75 -33.424 -3.763 -9.516 616 HE ARG 75 HE ARG 75 -35.063 -5.968 -10.351 617 HH11 ARG 75 1HH1 ARG 75 -34.348 -3.763 -7.753 618 HH12 ARG 75 2HH1 ARG 75 -35.916 -3.903 -7.030 619 HH21 ARG 75 1HH2 ARG 75 -37.131 -6.160 -9.408 620 HH22 ARG 75 2HH2 ARG 75 -37.498 -5.267 -7.971 621 H ALA 76 H ALA 76 -29.178 -6.534 -12.521 622 HA ALA 76 HA ALA 76 -29.571 -7.870 -15.025 623 HB1 ALA 76 1HB ALA 76 -29.247 -4.924 -15.351 624 HB2 ALA 76 2HB ALA 76 -29.903 -6.117 -16.472 625 HB3 ALA 76 3HB ALA 76 -30.858 -5.590 -15.086 626 H GLY 77 H GLY 77 -27.688 -7.785 -16.395 627 HA2 GLY 77 2HA GLY 77 -25.413 -6.563 -16.483 628 HA3 GLY 77 3HA GLY 77 -25.264 -7.175 -14.842 629 H CYS 78 H CYS 78 -25.621 -8.145 -18.220 630 HA CYS 78 HA CYS 78 -24.883 -9.964 -19.365 631 HB2 CYS 78 2HB CYS 78 -22.838 -9.311 -17.634 632 HB3 CYS 78 3HB CYS 78 -23.097 -11.019 -17.299 633 HG CYS 78 HG CYS 78 -22.863 -10.146 -20.550 Start of MODEL 17 1 H MET 1 H MET 1 1.425 0.523 0.869 2 HA MET 1 HA MET 1 1.390 1.078 -1.645 3 HB2 MET 1 2HB MET 1 3.489 0.826 -0.318 4 HB3 MET 1 3HB MET 1 3.471 -0.894 -0.686 5 HG2 MET 1 2HG MET 1 3.355 -0.023 -3.163 6 HG3 MET 1 3HG MET 1 4.067 1.421 -2.448 7 HE1 MET 1 1HE MET 1 7.620 0.702 -2.765 8 HE2 MET 1 2HE MET 1 6.232 1.708 -3.178 9 HE3 MET 1 3HE MET 1 6.681 1.475 -1.488 10 H LEU 2 H LEU 2 2.202 -2.334 -1.010 11 HA LEU 2 HA LEU 2 1.006 -3.048 -3.577 12 HB2 LEU 2 2HB LEU 2 3.185 -3.923 -3.265 13 HB3 LEU 2 3HB LEU 2 2.790 -4.514 -1.653 14 HG LEU 2 HG LEU 2 1.242 -5.661 -3.901 15 HD11 LEU 2 1HD1 LEU 2 3.489 -7.282 -3.761 16 HD12 LEU 2 2HD1 LEU 2 4.133 -5.645 -3.877 17 HD13 LEU 2 3HD1 LEU 2 3.017 -6.242 -5.105 18 HD21 LEU 2 1HD2 LEU 2 1.493 -6.179 -1.233 19 HD22 LEU 2 2HD2 LEU 2 2.577 -7.377 -1.941 20 HD23 LEU 2 3HD2 LEU 2 0.884 -7.316 -2.435 21 H LEU 3 H LEU 3 -0.933 -3.956 -3.735 22 HA LEU 3 HA LEU 3 -2.002 -5.480 -1.474 23 HB2 LEU 3 2HB LEU 3 -3.989 -4.308 -1.331 24 HB3 LEU 3 3HB LEU 3 -2.791 -3.032 -1.537 25 HG LEU 3 HG LEU 3 -4.524 -4.125 -3.752 26 HD11 LEU 3 1HD1 LEU 3 -5.060 -1.405 -3.045 27 HD12 LEU 3 2HD1 LEU 3 -5.250 -2.436 -1.628 28 HD13 LEU 3 3HD1 LEU 3 -6.160 -2.782 -3.098 29 HD21 LEU 3 1HD2 LEU 3 -2.912 -3.159 -4.981 30 HD22 LEU 3 2HD2 LEU 3 -2.280 -2.237 -3.617 31 HD23 LEU 3 3HD2 LEU 3 -3.691 -1.652 -4.500 32 H LYS 4 H LYS 4 -3.529 -7.058 -2.027 33 HA LYS 4 HA LYS 4 -3.685 -7.637 -4.912 34 HB2 LYS 4 2HB LYS 4 -2.390 -9.335 -3.842 35 HB3 LYS 4 3HB LYS 4 -3.556 -9.490 -2.534 36 HG2 LYS 4 2HG LYS 4 -5.150 -10.518 -3.973 37 HG3 LYS 4 3HG LYS 4 -4.173 -10.163 -5.400 38 HD2 LYS 4 2HD LYS 4 -3.945 -12.502 -4.752 39 HD3 LYS 4 3HD LYS 4 -2.413 -11.646 -4.561 40 HE2 LYS 4 2HE LYS 4 -2.347 -12.110 -2.384 41 HE3 LYS 4 3HE LYS 4 -3.986 -11.504 -2.146 42 HZ1 LYS 4 1HZ LYS 4 -4.896 -13.584 -2.531 43 HZ2 LYS 4 2HZ LYS 4 -3.508 -13.950 -1.638 44 HZ3 LYS 4 3HZ LYS 4 -3.517 -14.173 -3.315 45 H VAL 5 H VAL 5 -5.634 -7.221 -5.705 46 HA VAL 5 HA VAL 5 -7.983 -7.539 -3.969 47 HB VAL 5 HB VAL 5 -9.189 -6.150 -5.574 48 HG11 VAL 5 1HG1 VAL 5 -6.559 -4.985 -4.669 49 HG12 VAL 5 2HG1 VAL 5 -7.939 -4.037 -5.228 50 HG13 VAL 5 3HG1 VAL 5 -8.073 -5.015 -3.766 51 HG21 VAL 5 1HG2 VAL 5 -6.906 -6.762 -7.239 52 HG22 VAL 5 2HG2 VAL 5 -8.490 -6.132 -7.690 53 HG23 VAL 5 3HG2 VAL 5 -7.215 -5.027 -7.178 54 H LYS 6 H LYS 6 -9.486 -9.045 -4.366 55 HA LYS 6 HA LYS 6 -9.403 -10.461 -6.945 56 HB2 LYS 6 2HB LYS 6 -9.843 -12.573 -5.768 57 HB3 LYS 6 3HB LYS 6 -8.314 -11.861 -5.271 58 HG2 LYS 6 2HG LYS 6 -9.593 -10.884 -3.301 59 HG3 LYS 6 3HG LYS 6 -10.895 -11.990 -3.748 60 HD2 LYS 6 2HD LYS 6 -8.057 -12.815 -3.136 61 HD3 LYS 6 3HD LYS 6 -9.403 -12.905 -1.998 62 HE2 LYS 6 2HE LYS 6 -10.504 -14.249 -4.007 63 HE3 LYS 6 3HE LYS 6 -8.813 -14.562 -4.393 64 HZ1 LYS 6 1HZ LYS 6 -9.299 -14.944 -1.626 65 HZ2 LYS 6 2HZ LYS 6 -8.695 -16.039 -2.764 66 HZ3 LYS 6 3HZ LYS 6 -10.365 -15.886 -2.541 67 H THR 7 H THR 7 -11.287 -10.380 -7.959 68 HA THR 7 HA THR 7 -13.669 -9.533 -6.536 69 HB THR 7 HB THR 7 -13.966 -10.266 -9.368 70 HG1 THR 7 HG1 THR 7 -12.746 -8.352 -10.004 71 HG21 THR 7 1HG2 THR 7 -15.326 -8.721 -7.600 72 HG22 THR 7 2HG2 THR 7 -15.450 -8.564 -9.353 73 HG23 THR 7 3HG2 THR 7 -14.375 -7.500 -8.446 74 H VAL 8 H VAL 8 -15.782 -10.640 -7.217 75 HA VAL 8 HA VAL 8 -15.681 -13.339 -6.333 76 HB VAL 8 HB VAL 8 -17.604 -11.803 -5.926 77 HG11 VAL 8 1HG1 VAL 8 -18.616 -12.434 -8.661 78 HG12 VAL 8 2HG1 VAL 8 -19.060 -11.119 -7.571 79 HG13 VAL 8 3HG1 VAL 8 -17.523 -11.069 -8.435 80 HG21 VAL 8 1HG2 VAL 8 -17.604 -14.459 -6.084 81 HG22 VAL 8 2HG2 VAL 8 -19.065 -13.538 -5.727 82 HG23 VAL 8 3HG2 VAL 8 -18.768 -14.120 -7.365 83 H SER 9 H SER 9 -15.141 -11.960 -9.341 84 HA SER 9 HA SER 9 -16.177 -14.178 -10.900 85 HB2 SER 9 2HB SER 9 -15.096 -11.493 -11.465 86 HB3 SER 9 3HB SER 9 -14.674 -12.725 -12.655 87 HG SER 9 HG SER 9 -16.640 -11.758 -13.202 88 H ASN 10 H ASN 10 -13.787 -14.171 -8.884 89 HA ASN 10 HA ASN 10 -11.907 -15.430 -8.625 90 HB2 ASN 10 2HB ASN 10 -13.393 -16.818 -10.514 91 HB3 ASN 10 3HB ASN 10 -11.809 -16.661 -11.266 92 HD21 ASN 10 1HD2 ASN 10 -13.604 -17.982 -8.607 93 HD22 ASN 10 2HD2 ASN 10 -12.380 -19.069 -8.056 94 H LYS 11 H LYS 11 -11.869 -12.775 -9.834 95 HA LYS 11 HA LYS 11 -9.466 -12.968 -11.520 96 HB2 LYS 11 2HB LYS 11 -11.477 -10.736 -11.199 97 HB3 LYS 11 3HB LYS 11 -9.995 -10.594 -12.134 98 HG2 LYS 11 2HG LYS 11 -10.745 -12.370 -13.620 99 HG3 LYS 11 3HG LYS 11 -12.223 -12.549 -12.671 100 HD2 LYS 11 2HD LYS 11 -13.127 -10.597 -13.458 101 HD3 LYS 11 3HD LYS 11 -11.550 -9.852 -13.734 102 HE2 LYS 11 2HE LYS 11 -11.816 -12.146 -15.418 103 HE3 LYS 11 3HE LYS 11 -13.239 -11.122 -15.609 104 HZ1 LYS 11 1HZ LYS 11 -11.580 -9.233 -15.859 105 HZ2 LYS 11 2HZ LYS 11 -11.710 -10.316 -17.151 106 HZ3 LYS 11 3HZ LYS 11 -10.405 -10.430 -16.081 107 H VAL 12 H VAL 12 -7.738 -12.945 -10.204 108 HA VAL 12 HA VAL 12 -7.662 -10.985 -8.015 109 HB VAL 12 HB VAL 12 -5.776 -13.299 -8.462 110 HG11 VAL 12 1HG1 VAL 12 -5.685 -12.798 -5.833 111 HG12 VAL 12 2HG1 VAL 12 -4.615 -12.017 -6.999 112 HG13 VAL 12 3HG1 VAL 12 -6.056 -11.178 -6.422 113 HG21 VAL 12 1HG2 VAL 12 -8.490 -13.283 -7.492 114 HG22 VAL 12 2HG2 VAL 12 -7.416 -14.648 -7.798 115 HG23 VAL 12 3HG2 VAL 12 -7.376 -13.828 -6.237 116 H ILE 13 H ILE 13 -6.447 -9.226 -8.212 117 HA ILE 13 HA ILE 13 -4.145 -9.278 -10.038 118 HB ILE 13 HB ILE 13 -6.189 -7.059 -9.887 119 HG12 ILE 13 2HG1 ILE 13 -6.982 -8.950 -11.202 120 HG13 ILE 13 3HG1 ILE 13 -6.581 -7.609 -12.269 121 HG21 ILE 13 1HG2 ILE 13 -4.067 -6.047 -10.169 122 HG22 ILE 13 2HG2 ILE 13 -3.561 -7.270 -11.334 123 HG23 ILE 13 3HG2 ILE 13 -4.808 -6.102 -11.769 124 HD11 ILE 13 1HD1 ILE 13 -5.303 -8.979 -13.436 125 HD12 ILE 13 2HD1 ILE 13 -4.257 -9.171 -12.029 126 HD13 ILE 13 3HD1 ILE 13 -5.601 -10.283 -12.287 127 H GLN 14 H GLN 14 -2.385 -8.834 -8.904 128 HA GLN 14 HA GLN 14 -2.611 -7.064 -6.566 129 HB2 GLN 14 2HB GLN 14 -0.205 -8.144 -6.198 130 HB3 GLN 14 3HB GLN 14 -1.679 -8.943 -5.668 131 HG2 GLN 14 2HG GLN 14 -0.306 -10.556 -6.749 132 HG3 GLN 14 3HG GLN 14 -1.682 -10.219 -7.798 133 HE21 GLN 14 1HE2 GLN 14 1.453 -8.653 -7.231 134 HE22 GLN 14 2HE2 GLN 14 1.932 -8.626 -8.891 135 H ILE 15 H ILE 15 -1.668 -5.131 -6.602 136 HA ILE 15 HA ILE 15 0.360 -4.607 -8.677 137 HB ILE 15 HB ILE 15 -0.463 -2.215 -8.604 138 HG12 ILE 15 2HG1 ILE 15 -2.899 -3.483 -7.339 139 HG13 ILE 15 3HG1 ILE 15 -1.732 -2.500 -6.463 140 HG21 ILE 15 1HG2 ILE 15 -1.304 -4.403 -10.088 141 HG22 ILE 15 2HG2 ILE 15 -2.795 -3.578 -9.639 142 HG23 ILE 15 3HG2 ILE 15 -1.527 -2.703 -10.497 143 HD11 ILE 15 1HD1 ILE 15 -2.282 -0.582 -7.818 144 HD12 ILE 15 2HD1 ILE 15 -3.381 -1.557 -8.794 145 HD13 ILE 15 3HD1 ILE 15 -3.744 -1.253 -7.095 146 H THR 16 H THR 16 1.996 -3.075 -8.164 147 HA THR 16 HA THR 16 2.417 -2.744 -5.265 148 HB THR 16 HB THR 16 4.086 -4.234 -6.142 149 HG1 THR 16 HG1 THR 16 5.502 -1.802 -6.057 150 HG21 THR 16 1HG2 THR 16 5.672 -2.873 -7.905 151 HG22 THR 16 2HG2 THR 16 4.057 -2.363 -8.398 152 HG23 THR 16 3HG2 THR 16 4.465 -4.078 -8.353 153 H SER 17 H SER 17 0.970 -0.782 -6.008 154 HA SER 17 HA SER 17 2.585 1.528 -5.793 155 HB2 SER 17 2HB SER 17 3.097 1.390 -8.088 156 HB3 SER 17 3HB SER 17 1.466 0.872 -8.511 157 HG SER 17 HG SER 17 1.208 2.918 -8.940 158 H LEU 18 H LEU 18 1.091 1.699 -4.042 159 HA LEU 18 HA LEU 18 -1.642 2.457 -4.817 160 HB2 LEU 18 2HB LEU 18 -0.450 1.213 -2.407 161 HB3 LEU 18 3HB LEU 18 -1.812 2.303 -2.158 162 HG LEU 18 HG LEU 18 -1.833 -0.176 -3.880 163 HD11 LEU 18 1HD1 LEU 18 -3.676 -0.504 -1.885 164 HD12 LEU 18 2HD1 LEU 18 -2.346 0.295 -1.047 165 HD13 LEU 18 3HD1 LEU 18 -2.062 -1.213 -1.916 166 HD21 LEU 18 1HD2 LEU 18 -4.302 0.247 -3.879 167 HD22 LEU 18 2HD2 LEU 18 -3.351 1.415 -4.797 168 HD23 LEU 18 3HD2 LEU 18 -3.966 1.839 -3.199 169 H THR 19 H THR 19 -2.598 4.331 -3.900 170 HA THR 19 HA THR 19 -0.717 6.503 -3.564 171 HB THR 19 HB THR 19 -3.583 7.071 -3.165 172 HG1 THR 19 HG1 THR 19 -2.650 6.233 -5.723 173 HG21 THR 19 1HG2 THR 19 -2.776 9.068 -3.735 174 HG22 THR 19 2HG2 THR 19 -2.482 8.453 -5.361 175 HG23 THR 19 3HG2 THR 19 -1.214 8.358 -4.140 176 H ASP 20 H ASP 20 -1.556 8.242 -1.870 177 HA ASP 20 HA ASP 20 -1.972 6.850 0.694 178 HB2 ASP 20 2HB ASP 20 -0.583 8.958 1.542 179 HB3 ASP 20 3HB ASP 20 0.209 7.479 1.005 180 H ASP 21 H ASP 21 -3.269 8.951 -1.462 181 HA ASP 21 HA ASP 21 -4.435 10.763 0.508 182 HB2 ASP 21 2HB ASP 21 -4.810 10.687 -2.494 183 HB3 ASP 21 3HB ASP 21 -5.348 11.965 -1.408 184 H ASN 22 H ASN 22 -5.500 8.421 -1.948 185 HA ASN 22 HA ASN 22 -8.052 8.198 -0.489 186 HB2 ASN 22 2HB ASN 22 -7.464 8.472 -3.364 187 HB3 ASN 22 3HB ASN 22 -8.632 7.214 -2.969 188 HD21 ASN 22 1HD2 ASN 22 -10.206 8.052 -1.143 189 HD22 ASN 22 2HD2 ASN 22 -10.948 9.569 -1.508 190 H THR 23 H THR 23 -5.824 6.407 -2.613 191 HA THR 23 HA THR 23 -5.159 4.229 -2.632 192 HB THR 23 HB THR 23 -6.198 4.257 0.208 193 HG1 THR 23 HG1 THR 23 -3.501 4.299 -0.682 194 HG21 THR 23 1HG2 THR 23 -4.953 2.132 -1.443 195 HG22 THR 23 2HG2 THR 23 -6.085 2.004 -0.096 196 HG23 THR 23 3HG2 THR 23 -4.375 2.300 0.214 197 H ILE 24 H ILE 24 -7.833 3.651 -0.406 198 HA ILE 24 HA ILE 24 -8.886 1.517 -1.886 199 HB ILE 24 HB ILE 24 -10.238 3.242 0.191 200 HG12 ILE 24 2HG1 ILE 24 -9.775 0.880 1.400 201 HG13 ILE 24 3HG1 ILE 24 -8.421 0.897 0.276 202 HG21 ILE 24 1HG2 ILE 24 -12.002 2.203 -0.929 203 HG22 ILE 24 2HG2 ILE 24 -11.093 0.712 -1.171 204 HG23 ILE 24 3HG2 ILE 24 -11.680 1.135 0.437 205 HD11 ILE 24 1HD1 ILE 24 -8.756 3.419 1.678 206 HD12 ILE 24 2HD1 ILE 24 -8.473 2.053 2.757 207 HD13 ILE 24 3HD1 ILE 24 -7.322 2.414 1.470 208 H ALA 25 H ALA 25 -10.348 4.737 -1.391 209 HA ALA 25 HA ALA 25 -12.408 4.501 -3.224 210 HB1 ALA 25 1HB ALA 25 -11.572 6.448 -1.531 211 HB2 ALA 25 2HB ALA 25 -11.198 7.172 -3.095 212 HB3 ALA 25 3HB ALA 25 -12.844 6.650 -2.737 213 H GLU 26 H GLU 26 -9.046 5.413 -3.747 214 HA GLU 26 HA GLU 26 -9.361 6.233 -6.446 215 HB2 GLU 26 2HB GLU 26 -7.381 6.551 -4.702 216 HB3 GLU 26 3HB GLU 26 -6.771 5.107 -5.497 217 HG2 GLU 26 2HG GLU 26 -5.775 6.821 -6.681 218 HG3 GLU 26 3HG GLU 26 -7.162 6.399 -7.683 219 H LEU 27 H LEU 27 -8.486 3.170 -4.917 220 HA LEU 27 HA LEU 27 -7.885 1.781 -7.308 221 HB2 LEU 27 2HB LEU 27 -7.937 1.233 -4.532 222 HB3 LEU 27 3HB LEU 27 -8.911 0.000 -5.330 223 HG LEU 27 HG LEU 27 -6.530 -0.635 -4.970 224 HD11 LEU 27 1HD1 LEU 27 -6.509 -0.719 -7.827 225 HD12 LEU 27 2HD1 LEU 27 -8.153 -0.971 -7.242 226 HD13 LEU 27 3HD1 LEU 27 -6.847 -2.012 -6.677 227 HD21 LEU 27 1HD2 LEU 27 -5.899 1.337 -7.151 228 HD22 LEU 27 2HD2 LEU 27 -4.778 0.381 -6.182 229 HD23 LEU 27 3HD2 LEU 27 -5.679 1.703 -5.440 230 H LYS 28 H LYS 28 -10.812 1.851 -5.285 231 HA LYS 28 HA LYS 28 -12.345 0.165 -6.955 232 HB2 LYS 28 2HB LYS 28 -14.265 0.936 -5.670 233 HB3 LYS 28 3HB LYS 28 -12.911 0.600 -4.600 234 HG2 LYS 28 2HG LYS 28 -12.402 3.039 -4.590 235 HG3 LYS 28 3HG LYS 28 -13.891 3.298 -5.501 236 HD2 LYS 28 2HD LYS 28 -13.683 2.026 -2.772 237 HD3 LYS 28 3HD LYS 28 -14.238 3.667 -3.109 238 HE2 LYS 28 2HE LYS 28 -15.544 1.095 -3.989 239 HE3 LYS 28 3HE LYS 28 -16.142 2.220 -2.771 240 HZ1 LYS 28 1HZ LYS 28 -17.343 2.886 -4.567 241 HZ2 LYS 28 2HZ LYS 28 -16.148 2.463 -5.688 242 HZ3 LYS 28 3HZ LYS 28 -15.990 3.880 -4.777 243 H GLY 29 H GLY 29 -11.948 3.673 -6.804 244 HA2 GLY 29 2HA GLY 29 -13.975 4.298 -8.688 245 HA3 GLY 29 3HA GLY 29 -12.650 5.349 -8.211 246 H LYS 30 H LYS 30 -10.578 3.475 -9.014 247 HA LYS 30 HA LYS 30 -10.384 4.246 -11.759 248 HB2 LYS 30 2HB LYS 30 -8.661 2.738 -9.839 249 HB3 LYS 30 3HB LYS 30 -8.313 2.620 -11.559 250 HG2 LYS 30 2HG LYS 30 -8.715 5.356 -10.601 251 HG3 LYS 30 3HG LYS 30 -7.330 4.526 -9.888 252 HD2 LYS 30 2HD LYS 30 -6.361 4.127 -12.015 253 HD3 LYS 30 3HD LYS 30 -7.840 4.600 -12.854 254 HE2 LYS 30 2HE LYS 30 -6.225 6.379 -13.027 255 HE3 LYS 30 3HE LYS 30 -7.550 6.897 -11.986 256 HZ1 LYS 30 1HZ LYS 30 -5.683 5.735 -10.320 257 HZ2 LYS 30 2HZ LYS 30 -6.030 7.384 -10.469 258 HZ3 LYS 30 3HZ LYS 30 -4.788 6.695 -11.388 259 H LEU 31 H LEU 31 -11.230 1.312 -10.049 260 HA LEU 31 HA LEU 31 -11.051 -0.446 -12.271 261 HB2 LEU 31 2HB LEU 31 -11.213 -0.918 -9.705 262 HB3 LEU 31 3HB LEU 31 -12.949 -0.905 -10.011 263 HG LEU 31 HG LEU 31 -12.037 -3.176 -9.990 264 HD11 LEU 31 1HD1 LEU 31 -13.269 -3.935 -11.776 265 HD12 LEU 31 2HD1 LEU 31 -12.725 -2.640 -12.843 266 HD13 LEU 31 3HD1 LEU 31 -13.913 -2.304 -11.583 267 HD21 LEU 31 1HD2 LEU 31 -9.779 -2.410 -10.900 268 HD22 LEU 31 2HD2 LEU 31 -10.527 -2.494 -12.495 269 HD23 LEU 31 3HD2 LEU 31 -10.414 -3.944 -11.497 270 H GLU 32 H GLU 32 -13.720 1.382 -10.823 271 HA GLU 32 HA GLU 32 -15.726 0.373 -12.554 272 HB2 GLU 32 2HB GLU 32 -17.061 2.312 -11.757 273 HB3 GLU 32 3HB GLU 32 -16.351 1.372 -10.452 274 HG2 GLU 32 2HG GLU 32 -14.554 3.038 -10.259 275 HG3 GLU 32 3HG GLU 32 -15.330 3.994 -11.521 276 H GLU 33 H GLU 33 -13.658 3.240 -12.649 277 HA GLU 33 HA GLU 33 -14.858 4.397 -14.942 278 HB2 GLU 33 2HB GLU 33 -13.110 5.309 -13.119 279 HB3 GLU 33 3HB GLU 33 -11.983 4.903 -14.406 280 HG2 GLU 33 2HG GLU 33 -12.447 6.821 -15.391 281 HG3 GLU 33 3HG GLU 33 -14.115 6.295 -15.605 282 H SER 34 H SER 34 -12.278 2.070 -14.468 283 HA SER 34 HA SER 34 -11.209 2.120 -17.073 284 HB2 SER 34 2HB SER 34 -9.881 1.050 -15.447 285 HB3 SER 34 3HB SER 34 -11.221 0.050 -14.884 286 HG SER 34 HG SER 34 -9.644 -0.220 -17.196 287 H GLU 35 H GLU 35 -13.750 0.127 -15.607 288 HA GLU 35 HA GLU 35 -14.267 -1.253 -18.092 289 HB2 GLU 35 2HB GLU 35 -15.463 -1.343 -15.339 290 HB3 GLU 35 3HB GLU 35 -16.278 -2.118 -16.690 291 HG2 GLU 35 2HG GLU 35 -13.405 -2.708 -16.132 292 HG3 GLU 35 3HG GLU 35 -14.677 -3.494 -15.199 293 H GLY 36 H GLY 36 -15.021 1.751 -16.943 294 HA2 GLY 36 2HA GLY 36 -16.316 3.332 -18.109 295 HA3 GLY 36 3HA GLY 36 -17.190 2.016 -18.877 296 H ILE 37 H ILE 37 -18.036 0.559 -16.702 297 HA ILE 37 HA ILE 37 -19.538 2.442 -15.031 298 HB ILE 37 HB ILE 37 -21.581 0.969 -15.352 299 HG12 ILE 37 2HG1 ILE 37 -20.106 0.146 -17.861 300 HG13 ILE 37 3HG1 ILE 37 -20.323 -0.891 -16.455 301 HG21 ILE 37 1HG2 ILE 37 -20.562 2.632 -17.650 302 HG22 ILE 37 2HG2 ILE 37 -22.236 2.118 -17.449 303 HG23 ILE 37 3HG2 ILE 37 -21.496 3.194 -16.264 304 HD11 ILE 37 1HD1 ILE 37 -22.115 -1.621 -17.570 305 HD12 ILE 37 2HD1 ILE 37 -22.879 -0.152 -16.961 306 HD13 ILE 37 3HD1 ILE 37 -22.197 -0.182 -18.587 307 HA PRO 38 HA PRO 38 -18.702 -0.365 -11.761 308 HB2 PRO 38 2HB PRO 38 -20.889 -0.013 -10.192 309 HB3 PRO 38 3HB PRO 38 -19.612 1.199 -10.345 310 HG2 PRO 38 2HG PRO 38 -22.276 1.071 -11.706 311 HG3 PRO 38 3HG PRO 38 -21.454 2.467 -10.984 312 HD2 PRO 38 2HD PRO 38 -21.463 2.001 -13.652 313 HD3 PRO 38 3HD PRO 38 -20.100 2.779 -12.823 314 H GLY 39 H GLY 39 -18.924 -2.500 -11.420 315 HA2 GLY 39 2HA GLY 39 -20.511 -4.141 -12.976 316 HA3 GLY 39 3HA GLY 39 -19.805 -4.622 -11.440 317 H ASN 40 H ASN 40 -21.168 -3.000 -9.675 318 HA ASN 40 HA ASN 40 -23.918 -2.803 -9.975 319 HB2 ASN 40 2HB ASN 40 -23.068 -5.516 -9.726 320 HB3 ASN 40 3HB ASN 40 -23.923 -5.072 -8.252 321 HD21 ASN 40 1HD2 ASN 40 -26.093 -4.662 -8.320 322 HD22 ASN 40 2HD2 ASN 40 -27.069 -4.958 -9.715 323 H MET 41 H MET 41 -22.077 -4.403 -7.379 324 HA MET 41 HA MET 41 -22.898 -2.236 -5.576 325 HB2 MET 41 2HB MET 41 -22.337 -5.128 -5.226 326 HB3 MET 41 3HB MET 41 -21.870 -4.071 -3.900 327 HG2 MET 41 2HG MET 41 -24.260 -3.147 -4.071 328 HG3 MET 41 3HG MET 41 -24.595 -4.597 -5.015 329 HE1 MET 41 1HE MET 41 -26.431 -5.177 -3.472 330 HE2 MET 41 2HE MET 41 -26.266 -5.786 -1.825 331 HE3 MET 41 3HE MET 41 -26.216 -4.050 -2.132 332 H ILE 42 H ILE 42 -20.090 -4.053 -6.695 333 HA ILE 42 HA ILE 42 -17.844 -3.727 -6.435 334 HB ILE 42 HB ILE 42 -18.547 -0.795 -6.413 335 HG12 ILE 42 2HG1 ILE 42 -19.786 -1.849 -8.223 336 HG13 ILE 42 3HG1 ILE 42 -18.446 -0.919 -8.886 337 HG21 ILE 42 1HG2 ILE 42 -16.336 -0.570 -6.405 338 HG22 ILE 42 2HG2 ILE 42 -16.100 -2.307 -6.586 339 HG23 ILE 42 3HG2 ILE 42 -16.319 -1.294 -8.012 340 HD11 ILE 42 1HD1 ILE 42 -17.584 -3.595 -8.411 341 HD12 ILE 42 2HD1 ILE 42 -19.082 -3.614 -9.341 342 HD13 ILE 42 3HD1 ILE 42 -17.689 -2.708 -9.931 343 H ARG 43 H ARG 43 -18.666 -4.460 -4.076 344 HA ARG 43 HA ARG 43 -17.468 -2.540 -2.189 345 HB2 ARG 43 2HB ARG 43 -19.726 -4.491 -1.713 346 HB3 ARG 43 3HB ARG 43 -18.926 -3.574 -0.444 347 HG2 ARG 43 2HG ARG 43 -19.591 -1.501 -1.808 348 HG3 ARG 43 3HG ARG 43 -20.706 -2.589 -2.637 349 HD2 ARG 43 2HD ARG 43 -22.060 -2.792 -0.834 350 HD3 ARG 43 3HD ARG 43 -20.722 -2.707 0.312 351 HE ARG 43 HE ARG 43 -22.374 -0.559 -0.530 352 HH11 ARG 43 1HH1 ARG 43 -19.106 -1.344 0.376 353 HH12 ARG 43 2HH1 ARG 43 -18.739 0.253 0.937 354 HH21 ARG 43 1HH2 ARG 43 -21.903 1.549 0.205 355 HH22 ARG 43 2HH2 ARG 43 -20.331 1.898 0.840 356 H LEU 44 H LEU 44 -15.601 -3.222 -1.394 357 HA LEU 44 HA LEU 44 -15.052 -6.109 -1.344 358 HB2 LEU 44 2HB LEU 44 -12.684 -5.471 -1.236 359 HB3 LEU 44 3HB LEU 44 -13.490 -4.849 -2.674 360 HG LEU 44 HG LEU 44 -13.266 -3.052 -0.315 361 HD11 LEU 44 1HD1 LEU 44 -11.054 -3.347 -0.188 362 HD12 LEU 44 2HD1 LEU 44 -10.994 -2.469 -1.715 363 HD13 LEU 44 3HD1 LEU 44 -10.988 -4.232 -1.712 364 HD21 LEU 44 1HD2 LEU 44 -13.899 -1.548 -1.818 365 HD22 LEU 44 2HD2 LEU 44 -14.070 -2.851 -2.995 366 HD23 LEU 44 3HD2 LEU 44 -12.548 -1.966 -2.871 367 H VAL 45 H VAL 45 -13.898 -6.993 0.477 368 HA VAL 45 HA VAL 45 -14.461 -5.536 2.978 369 HB VAL 45 HB VAL 45 -15.811 -7.565 2.755 370 HG11 VAL 45 1HG1 VAL 45 -13.625 -9.462 3.082 371 HG12 VAL 45 2HG1 VAL 45 -15.034 -9.528 2.022 372 HG13 VAL 45 3HG1 VAL 45 -13.596 -8.636 1.524 373 HG21 VAL 45 1HG2 VAL 45 -15.081 -8.688 4.867 374 HG22 VAL 45 2HG2 VAL 45 -13.630 -7.686 4.833 375 HG23 VAL 45 3HG2 VAL 45 -15.218 -6.933 4.984 376 H TYR 46 H TYR 46 -12.792 -5.037 4.242 377 HA TYR 46 HA TYR 46 -10.180 -6.239 3.626 378 HB2 TYR 46 2HB TYR 46 -10.849 -3.600 3.712 379 HB3 TYR 46 3HB TYR 46 -10.257 -3.848 5.351 380 HD1 TYR 46 HD1 TYR 46 -9.222 -2.501 2.494 381 HD2 TYR 46 HD2 TYR 46 -8.060 -5.682 5.070 382 HE1 TYR 46 HE1 TYR 46 -6.909 -2.307 1.681 383 HE2 TYR 46 HE2 TYR 46 -5.744 -5.496 4.265 384 HH TYR 46 HH TYR 46 -4.671 -2.858 2.347 385 H GLN 47 H GLN 47 -9.545 -7.765 4.985 386 HA GLN 47 HA GLN 47 -9.249 -9.008 6.868 387 HB2 GLN 47 2HB GLN 47 -8.449 -6.449 7.451 388 HB3 GLN 47 3HB GLN 47 -9.583 -6.784 8.752 389 HG2 GLN 47 2HG GLN 47 -7.594 -7.489 9.655 390 HG3 GLN 47 3HG GLN 47 -8.253 -8.991 9.007 391 HE21 GLN 47 1HE2 GLN 47 -6.175 -6.274 8.079 392 HE22 GLN 47 2HE2 GLN 47 -5.053 -7.219 7.166 393 H GLY 48 H GLY 48 -11.938 -8.715 5.906 394 HA2 GLY 48 2HA GLY 48 -13.977 -9.558 6.608 395 HA3 GLY 48 3HA GLY 48 -13.326 -9.680 8.235 396 H LYS 49 H LYS 49 -12.790 -6.609 7.037 397 HA LYS 49 HA LYS 49 -15.200 -5.598 8.398 398 HB2 LYS 49 2HB LYS 49 -12.429 -5.003 8.779 399 HB3 LYS 49 3HB LYS 49 -13.235 -3.555 8.191 400 HG2 LYS 49 2HG LYS 49 -13.266 -3.532 10.579 401 HG3 LYS 49 3HG LYS 49 -14.910 -3.814 10.002 402 HD2 LYS 49 2HD LYS 49 -14.447 -5.286 11.859 403 HD3 LYS 49 3HD LYS 49 -14.583 -6.238 10.379 404 HE2 LYS 49 2HE LYS 49 -12.240 -6.526 10.240 405 HE3 LYS 49 3HE LYS 49 -11.942 -5.289 11.460 406 HZ1 LYS 49 1HZ LYS 49 -13.497 -7.688 12.158 407 HZ2 LYS 49 2HZ LYS 49 -12.570 -6.687 13.157 408 HZ3 LYS 49 3HZ LYS 49 -11.808 -7.771 12.105 409 H GLN 50 H GLN 50 -15.966 -3.461 7.625 410 HA GLN 50 HA GLN 50 -15.571 -3.188 4.718 411 HB2 GLN 50 2HB GLN 50 -18.089 -2.632 6.296 412 HB3 GLN 50 3HB GLN 50 -17.897 -2.440 4.559 413 HG2 GLN 50 2HG GLN 50 -18.303 -4.588 4.182 414 HG3 GLN 50 3HG GLN 50 -17.172 -5.100 5.433 415 HE21 GLN 50 1HE2 GLN 50 -18.008 -4.771 7.708 416 HE22 GLN 50 2HE2 GLN 50 -19.654 -5.212 7.995 417 H LEU 51 H LEU 51 -16.212 -0.961 3.911 418 HA LEU 51 HA LEU 51 -15.850 1.283 3.857 419 HB2 LEU 51 2HB LEU 51 -15.989 1.392 6.841 420 HB3 LEU 51 3HB LEU 51 -16.543 2.573 5.656 421 HG LEU 51 HG LEU 51 -17.870 -0.078 6.221 422 HD11 LEU 51 1HD1 LEU 51 -19.133 2.536 6.839 423 HD12 LEU 51 2HD1 LEU 51 -17.897 1.931 7.942 424 HD13 LEU 51 3HD1 LEU 51 -19.337 0.966 7.615 425 HD21 LEU 51 1HD2 LEU 51 -18.088 1.789 4.050 426 HD22 LEU 51 2HD2 LEU 51 -19.606 1.713 4.945 427 HD23 LEU 51 3HD2 LEU 51 -18.899 0.240 4.280 428 H GLU 52 H GLU 52 -13.733 1.234 3.165 429 HA GLU 52 HA GLU 52 -11.697 1.553 5.272 430 HB2 GLU 52 2HB GLU 52 -11.376 0.323 2.529 431 HB3 GLU 52 3HB GLU 52 -10.060 0.623 3.655 432 HG2 GLU 52 2HG GLU 52 -12.292 -1.358 3.861 433 HG3 GLU 52 3HG GLU 52 -10.553 -1.634 3.923 434 H ASP 53 H ASP 53 -13.406 3.152 2.978 435 HA ASP 53 HA ASP 53 -11.587 4.662 1.528 436 HB2 ASP 53 2HB ASP 53 -14.177 4.604 1.421 437 HB3 ASP 53 3HB ASP 53 -14.103 5.878 2.635 438 H GLU 54 H GLU 54 -12.777 5.125 4.818 439 HA GLU 54 HA GLU 54 -11.575 7.655 5.236 440 HB2 GLU 54 2HB GLU 54 -13.257 5.951 6.677 441 HB3 GLU 54 3HB GLU 54 -11.805 6.078 7.658 442 HG2 GLU 54 2HG GLU 54 -11.991 8.471 7.722 443 HG3 GLU 54 3HG GLU 54 -13.347 8.433 6.597 444 H LYS 55 H LYS 55 -10.324 4.470 5.152 445 HA LYS 55 HA LYS 55 -7.891 5.258 6.587 446 HB2 LYS 55 2HB LYS 55 -9.041 2.601 5.773 447 HB3 LYS 55 3HB LYS 55 -7.352 2.755 6.240 448 HG2 LYS 55 2HG LYS 55 -8.411 2.106 8.199 449 HG3 LYS 55 3HG LYS 55 -8.248 3.854 8.377 450 HD2 LYS 55 2HD LYS 55 -10.509 4.230 8.005 451 HD3 LYS 55 3HD LYS 55 -10.732 2.683 7.186 452 HE2 LYS 55 2HE LYS 55 -11.453 1.826 9.104 453 HE3 LYS 55 3HE LYS 55 -9.844 2.076 9.780 454 HZ1 LYS 55 1HZ LYS 55 -10.873 4.520 10.015 455 HZ2 LYS 55 2HZ LYS 55 -10.971 3.347 11.230 456 HZ3 LYS 55 3HZ LYS 55 -12.280 3.596 10.188 457 H ARG 56 H ARG 56 -8.390 6.401 4.040 458 HA ARG 56 HA ARG 56 -7.296 5.190 1.836 459 HB2 ARG 56 2HB ARG 56 -6.442 7.618 1.321 460 HB3 ARG 56 3HB ARG 56 -8.165 7.272 1.368 461 HG2 ARG 56 2HG ARG 56 -7.252 7.977 3.989 462 HG3 ARG 56 3HG ARG 56 -6.755 9.206 2.825 463 HD2 ARG 56 2HD ARG 56 -9.464 8.363 2.328 464 HD3 ARG 56 3HD ARG 56 -9.274 8.892 3.999 465 HE ARG 56 HE ARG 56 -8.103 10.711 2.129 466 HH11 ARG 56 1HH1 ARG 56 -11.088 9.737 3.632 467 HH12 ARG 56 2HH1 ARG 56 -11.845 11.283 3.432 468 HH21 ARG 56 1HH2 ARG 56 -9.088 12.751 1.859 469 HH22 ARG 56 2HH2 ARG 56 -10.707 12.996 2.422 470 H LEU 57 H LEU 57 -5.428 7.454 3.864 471 HA LEU 57 HA LEU 57 -2.933 6.519 2.872 472 HB2 LEU 57 2HB LEU 57 -3.621 8.796 3.972 473 HB3 LEU 57 3HB LEU 57 -3.173 7.975 5.465 474 HG LEU 57 HG LEU 57 -1.241 8.055 3.186 475 HD11 LEU 57 1HD1 LEU 57 -0.854 10.184 5.117 476 HD12 LEU 57 2HD1 LEU 57 -2.339 10.382 4.188 477 HD13 LEU 57 3HD1 LEU 57 -0.792 10.228 3.355 478 HD21 LEU 57 1HD2 LEU 57 -1.109 7.794 6.172 479 HD22 LEU 57 2HD2 LEU 57 0.312 8.219 5.217 480 HD23 LEU 57 3HD2 LEU 57 -0.515 6.686 4.935 481 H LYS 58 H LYS 58 -4.863 5.812 5.718 482 HA LYS 58 HA LYS 58 -2.959 4.441 7.235 483 HB2 LYS 58 2HB LYS 58 -5.783 4.870 7.303 484 HB3 LYS 58 3HB LYS 58 -5.475 3.159 7.570 485 HG2 LYS 58 2HG LYS 58 -3.650 4.742 9.119 486 HG3 LYS 58 3HG LYS 58 -5.316 5.236 9.433 487 HD2 LYS 58 2HD LYS 58 -5.898 3.201 10.310 488 HD3 LYS 58 3HD LYS 58 -4.696 2.326 9.358 489 HE2 LYS 58 2HE LYS 58 -3.270 2.378 11.059 490 HE3 LYS 58 3HE LYS 58 -3.358 4.137 11.113 491 HZ1 LYS 58 1HZ LYS 58 -5.684 3.003 12.256 492 HZ2 LYS 58 2HZ LYS 58 -4.543 4.031 12.965 493 HZ3 LYS 58 3HZ LYS 58 -4.308 2.356 12.999 494 H ASP 59 H ASP 59 -4.695 3.507 4.388 495 HA ASP 59 HA ASP 59 -4.155 0.685 4.694 496 HB2 ASP 59 2HB ASP 59 -5.633 2.393 2.796 497 HB3 ASP 59 3HB ASP 59 -4.885 0.965 2.087 498 H TYR 60 H TYR 60 -2.512 3.417 3.482 499 HA TYR 60 HA TYR 60 -0.864 1.986 1.599 500 HB2 TYR 60 2HB TYR 60 -1.442 4.389 1.311 501 HB3 TYR 60 3HB TYR 60 -0.486 4.761 2.741 502 HD1 TYR 60 HD1 TYR 60 -0.003 2.776 -0.398 503 HD2 TYR 60 HD2 TYR 60 1.575 5.672 2.290 504 HE1 TYR 60 HE1 TYR 60 2.007 2.973 -1.801 505 HE2 TYR 60 HE2 TYR 60 3.589 5.878 0.893 506 HH TYR 60 HH TYR 60 4.827 4.508 -0.765 507 H GLN 61 H GLN 61 -0.842 2.598 4.964 508 HA GLN 61 HA GLN 61 2.000 2.330 5.324 509 HB2 GLN 61 2HB GLN 61 0.647 3.647 6.893 510 HB3 GLN 61 3HB GLN 61 -0.252 2.202 7.337 511 HG2 GLN 61 2HG GLN 61 2.537 1.703 7.664 512 HG3 GLN 61 3HG GLN 61 2.112 3.206 8.482 513 HE21 GLN 61 1HE2 GLN 61 0.146 0.322 7.972 514 HE22 GLN 61 2HE2 GLN 61 -0.074 -0.044 9.645 515 H MET 62 H MET 62 -0.571 0.193 4.811 516 HA MET 62 HA MET 62 0.523 -2.025 6.295 517 HB2 MET 62 2HB MET 62 -1.547 -2.271 4.132 518 HB3 MET 62 3HB MET 62 -1.339 -3.255 5.575 519 HG2 MET 62 2HG MET 62 -2.255 -0.388 5.545 520 HG3 MET 62 3HG MET 62 -3.304 -1.796 5.694 521 HE1 MET 62 1HE MET 62 -4.430 -1.654 7.444 522 HE2 MET 62 2HE MET 62 -3.772 -2.771 8.640 523 HE3 MET 62 3HE MET 62 -4.004 -1.072 9.054 524 H SER 63 H SER 63 -0.022 -1.406 2.822 525 HA SER 63 HA SER 63 0.990 -2.236 0.957 526 HB2 SER 63 2HB SER 63 3.495 -2.371 2.639 527 HB3 SER 63 3HB SER 63 3.371 -2.103 0.901 528 HG SER 63 HG SER 63 3.749 -0.159 2.058 529 H ALA 64 H ALA 64 -0.245 -4.155 2.700 530 HA ALA 64 HA ALA 64 0.618 -6.540 1.518 531 HB1 ALA 64 1HB ALA 64 2.535 -6.684 2.791 532 HB2 ALA 64 2HB ALA 64 1.779 -5.950 4.206 533 HB3 ALA 64 3HB ALA 64 1.391 -7.612 3.761 534 H GLY 65 H GLY 65 -1.836 -5.354 1.853 535 HA2 GLY 65 2HA GLY 65 -3.162 -7.152 3.789 536 HA3 GLY 65 3HA GLY 65 -3.746 -5.536 3.423 537 H ALA 66 H ALA 66 -4.222 -8.742 2.824 538 HA ALA 66 HA ALA 66 -4.824 -8.834 0.081 539 HB1 ALA 66 1HB ALA 66 -4.681 -10.700 1.969 540 HB2 ALA 66 2HB ALA 66 -6.432 -10.488 1.942 541 HB3 ALA 66 3HB ALA 66 -5.576 -10.943 0.469 542 H THR 67 H THR 67 -6.591 -8.305 -1.089 543 HA THR 67 HA THR 67 -8.890 -7.166 0.363 544 HB THR 67 HB THR 67 -8.835 -6.011 -2.206 545 HG1 THR 67 HG1 THR 67 -6.339 -5.611 -0.907 546 HG21 THR 67 1HG2 THR 67 -9.601 -5.099 0.049 547 HG22 THR 67 2HG2 THR 67 -8.787 -3.966 -1.030 548 HG23 THR 67 3HG2 THR 67 -7.913 -4.675 0.327 549 H PHE 68 H PHE 68 -10.912 -7.699 -0.338 550 HA PHE 68 HA PHE 68 -11.106 -9.451 -2.695 551 HB2 PHE 68 2HB PHE 68 -11.242 -10.539 -0.298 552 HB3 PHE 68 3HB PHE 68 -12.887 -9.912 -0.335 553 HD1 PHE 68 HD1 PHE 68 -13.886 -10.342 -2.926 554 HD2 PHE 68 HD2 PHE 68 -11.192 -12.786 -0.716 555 HE1 PHE 68 HE1 PHE 68 -14.605 -12.303 -4.226 556 HE2 PHE 68 HE2 PHE 68 -11.905 -14.751 -2.013 557 HZ PHE 68 HZ PHE 68 -13.613 -14.512 -3.771 558 H HIS 69 H HIS 69 -12.301 -8.445 -4.160 559 HA HIS 69 HA HIS 69 -14.323 -6.518 -3.339 560 HB2 HIS 69 2HB HIS 69 -13.168 -7.256 -6.029 561 HB3 HIS 69 3HB HIS 69 -14.494 -6.113 -5.835 562 HD1 HIS 69 HD1 HIS 69 -11.283 -6.379 -3.818 563 HD2 HIS 69 HD2 HIS 69 -13.305 -3.719 -6.286 564 HE1 HIS 69 HE1 HIS 69 -9.941 -4.253 -3.757 565 H MET 70 H MET 70 -16.501 -6.681 -3.784 566 HA MET 70 HA MET 70 -17.433 -9.261 -4.852 567 HB2 MET 70 2HB MET 70 -17.677 -9.286 -2.425 568 HB3 MET 70 3HB MET 70 -18.555 -7.763 -2.478 569 HG2 MET 70 2HG MET 70 -20.466 -8.824 -2.784 570 HG3 MET 70 3HG MET 70 -19.827 -9.641 -4.208 571 HE1 MET 70 1HE MET 70 -21.444 -10.696 -0.710 572 HE2 MET 70 2HE MET 70 -19.919 -11.049 0.103 573 HE3 MET 70 3HE MET 70 -20.216 -9.439 -0.556 574 H VAL 71 H VAL 71 -18.887 -9.112 -6.438 575 HA VAL 71 HA VAL 71 -20.416 -6.616 -6.726 576 HB VAL 71 HB VAL 71 -18.659 -6.414 -8.336 577 HG11 VAL 71 1HG1 VAL 71 -17.623 -8.221 -9.102 578 HG12 VAL 71 2HG1 VAL 71 -18.913 -9.262 -8.496 579 HG13 VAL 71 3HG1 VAL 71 -19.027 -8.563 -10.112 580 HG21 VAL 71 1HG2 VAL 71 -20.906 -5.768 -9.079 581 HG22 VAL 71 2HG2 VAL 71 -19.914 -6.336 -10.421 582 HG23 VAL 71 3HG2 VAL 71 -21.151 -7.387 -9.733 583 H VAL 72 H VAL 72 -22.474 -7.172 -6.449 584 HA VAL 72 HA VAL 72 -23.410 -9.763 -7.467 585 HB VAL 72 HB VAL 72 -23.932 -9.470 -5.152 586 HG11 VAL 72 1HG1 VAL 72 -24.300 -6.733 -5.912 587 HG12 VAL 72 2HG1 VAL 72 -25.732 -7.313 -5.059 588 HG13 VAL 72 3HG1 VAL 72 -24.145 -7.430 -4.300 589 HG21 VAL 72 1HG2 VAL 72 -25.723 -10.255 -6.903 590 HG22 VAL 72 2HG2 VAL 72 -26.157 -10.036 -5.208 591 HG23 VAL 72 3HG2 VAL 72 -26.557 -8.789 -6.389 592 H ALA 73 H ALA 73 -24.160 -9.641 -9.482 593 HA ALA 73 HA ALA 73 -25.888 -7.358 -10.188 594 HB1 ALA 73 1HB ALA 73 -24.022 -8.931 -11.956 595 HB2 ALA 73 2HB ALA 73 -25.180 -7.735 -12.539 596 HB3 ALA 73 3HB ALA 73 -23.864 -7.242 -11.474 597 H LEU 74 H LEU 74 -27.888 -8.182 -9.833 598 HA LEU 74 HA LEU 74 -28.553 -10.750 -11.110 599 HB2 LEU 74 2HB LEU 74 -29.388 -9.445 -8.611 600 HB3 LEU 74 3HB LEU 74 -30.685 -10.210 -9.525 601 HG LEU 74 HG LEU 74 -29.838 -11.719 -7.831 602 HD11 LEU 74 1HD1 LEU 74 -30.168 -13.435 -9.199 603 HD12 LEU 74 2HD1 LEU 74 -28.646 -13.138 -10.039 604 HD13 LEU 74 3HD1 LEU 74 -30.111 -12.294 -10.543 605 HD21 LEU 74 1HD2 LEU 74 -27.613 -12.372 -7.614 606 HD22 LEU 74 2HD2 LEU 74 -27.506 -10.635 -7.905 607 HD23 LEU 74 3HD2 LEU 74 -27.179 -11.771 -9.215 608 H ARG 75 H ARG 75 -29.261 -7.361 -10.996 609 HA ARG 75 HA ARG 75 -31.713 -7.578 -12.505 610 HB2 ARG 75 2HB ARG 75 -30.167 -5.418 -11.218 611 HB3 ARG 75 3HB ARG 75 -31.047 -4.951 -12.667 612 HG2 ARG 75 2HG ARG 75 -32.818 -4.674 -11.361 613 HG3 ARG 75 3HG ARG 75 -32.882 -6.432 -11.220 614 HD2 ARG 75 2HD ARG 75 -31.142 -6.078 -9.323 615 HD3 ARG 75 3HD ARG 75 -31.734 -4.417 -9.331 616 HE ARG 75 HE ARG 75 -33.886 -6.260 -9.200 617 HH11 ARG 75 1HH1 ARG 75 -31.356 -4.830 -7.283 618 HH12 ARG 75 2HH1 ARG 75 -32.211 -5.006 -5.787 619 HH21 ARG 75 1HH2 ARG 75 -35.022 -6.497 -7.236 620 HH22 ARG 75 2HH2 ARG 75 -34.296 -5.955 -5.761 621 H ALA 76 H ALA 76 -28.517 -6.119 -13.132 622 HA ALA 76 HA ALA 76 -28.509 -7.113 -15.832 623 HB1 ALA 76 1HB ALA 76 -28.160 -4.668 -16.686 624 HB2 ALA 76 2HB ALA 76 -29.788 -5.316 -16.484 625 HB3 ALA 76 3HB ALA 76 -29.107 -4.247 -15.258 626 H GLY 77 H GLY 77 -26.495 -6.627 -16.961 627 HA2 GLY 77 2HA GLY 77 -24.273 -5.667 -16.918 628 HA3 GLY 77 3HA GLY 77 -24.341 -5.719 -15.163 629 H CYS 78 H CYS 78 -25.313 -8.325 -17.321 630 HA CYS 78 HA CYS 78 -23.386 -10.070 -16.004 631 HB2 CYS 78 2HB CYS 78 -25.708 -10.617 -17.856 632 HB3 CYS 78 3HB CYS 78 -24.614 -11.872 -17.288 633 HG CYS 78 HG CYS 78 -27.146 -11.791 -15.897 Start of MODEL 18 1 H MET 1 H MET 1 1.707 0.159 0.849 2 HA MET 1 HA MET 1 1.822 1.073 -1.739 3 HB2 MET 1 2HB MET 1 3.714 0.496 -0.043 4 HB3 MET 1 3HB MET 1 3.704 -1.078 -0.829 5 HG2 MET 1 2HG MET 1 5.242 -0.122 -2.151 6 HG3 MET 1 3HG MET 1 3.824 0.505 -2.989 7 HE1 MET 1 1HE MET 1 6.974 3.003 -2.654 8 HE2 MET 1 2HE MET 1 6.521 1.440 -3.334 9 HE3 MET 1 3HE MET 1 5.703 2.907 -3.873 10 H LEU 2 H LEU 2 2.218 -2.373 -0.904 11 HA LEU 2 HA LEU 2 1.163 -3.057 -3.555 12 HB2 LEU 2 2HB LEU 2 3.227 -4.086 -3.298 13 HB3 LEU 2 3HB LEU 2 2.940 -4.457 -1.600 14 HG LEU 2 HG LEU 2 1.227 -5.812 -3.613 15 HD11 LEU 2 1HD1 LEU 2 2.946 -6.628 -4.764 16 HD12 LEU 2 2HD1 LEU 2 3.384 -7.519 -3.307 17 HD13 LEU 2 3HD1 LEU 2 4.120 -5.951 -3.635 18 HD21 LEU 2 1HD2 LEU 2 2.298 -6.300 -0.883 19 HD22 LEU 2 2HD2 LEU 2 1.921 -7.695 -1.895 20 HD23 LEU 2 3HD2 LEU 2 0.666 -6.515 -1.515 21 H LEU 3 H LEU 3 -0.781 -3.953 -3.776 22 HA LEU 3 HA LEU 3 -1.984 -5.367 -1.512 23 HB2 LEU 3 2HB LEU 3 -3.940 -4.140 -1.490 24 HB3 LEU 3 3HB LEU 3 -2.703 -2.902 -1.700 25 HG LEU 3 HG LEU 3 -4.386 -4.042 -3.930 26 HD11 LEU 3 1HD1 LEU 3 -5.966 -2.838 -2.810 27 HD12 LEU 3 2HD1 LEU 3 -5.242 -1.551 -3.773 28 HD13 LEU 3 3HD1 LEU 3 -4.785 -1.749 -2.082 29 HD21 LEU 3 1HD2 LEU 3 -2.381 -1.800 -3.785 30 HD22 LEU 3 2HD2 LEU 3 -3.536 -1.985 -5.106 31 HD23 LEU 3 3HD2 LEU 3 -2.332 -3.239 -4.805 32 H LYS 4 H LYS 4 -3.524 -6.928 -2.075 33 HA LYS 4 HA LYS 4 -3.615 -7.576 -4.949 34 HB2 LYS 4 2HB LYS 4 -2.324 -9.250 -3.837 35 HB3 LYS 4 3HB LYS 4 -3.503 -9.389 -2.539 36 HG2 LYS 4 2HG LYS 4 -5.114 -10.354 -4.086 37 HG3 LYS 4 3HG LYS 4 -3.957 -10.185 -5.409 38 HD2 LYS 4 2HD LYS 4 -3.126 -11.676 -2.967 39 HD3 LYS 4 3HD LYS 4 -4.226 -12.461 -4.103 40 HE2 LYS 4 2HE LYS 4 -2.641 -12.110 -5.911 41 HE3 LYS 4 3HE LYS 4 -1.556 -11.253 -4.817 42 HZ1 LYS 4 1HZ LYS 4 -2.323 -13.910 -3.959 43 HZ2 LYS 4 2HZ LYS 4 -0.808 -13.158 -3.934 44 HZ3 LYS 4 3HZ LYS 4 -1.379 -13.861 -5.362 45 H VAL 5 H VAL 5 -5.557 -7.196 -5.774 46 HA VAL 5 HA VAL 5 -7.923 -7.516 -4.057 47 HB VAL 5 HB VAL 5 -9.117 -6.146 -5.722 48 HG11 VAL 5 1HG1 VAL 5 -6.705 -5.138 -4.301 49 HG12 VAL 5 2HG1 VAL 5 -7.578 -4.037 -5.369 50 HG13 VAL 5 3HG1 VAL 5 -8.411 -4.797 -4.013 51 HG21 VAL 5 1HG2 VAL 5 -8.291 -6.040 -7.787 52 HG22 VAL 5 2HG2 VAL 5 -7.074 -4.925 -7.165 53 HG23 VAL 5 3HG2 VAL 5 -6.723 -6.651 -7.259 54 H LYS 6 H LYS 6 -9.318 -9.112 -4.425 55 HA LYS 6 HA LYS 6 -9.256 -10.462 -7.041 56 HB2 LYS 6 2HB LYS 6 -9.805 -12.580 -5.726 57 HB3 LYS 6 3HB LYS 6 -8.153 -11.986 -5.624 58 HG2 LYS 6 2HG LYS 6 -9.684 -10.803 -3.532 59 HG3 LYS 6 3HG LYS 6 -9.943 -12.549 -3.521 60 HD2 LYS 6 2HD LYS 6 -7.269 -12.455 -3.882 61 HD3 LYS 6 3HD LYS 6 -7.512 -10.983 -2.939 62 HE2 LYS 6 2HE LYS 6 -8.862 -13.464 -2.020 63 HE3 LYS 6 3HE LYS 6 -7.117 -13.347 -1.797 64 HZ1 LYS 6 1HZ LYS 6 -8.788 -11.086 -0.967 65 HZ2 LYS 6 2HZ LYS 6 -7.327 -11.639 -0.320 66 HZ3 LYS 6 3HZ LYS 6 -8.764 -12.467 0.011 67 H THR 7 H THR 7 -11.157 -10.413 -8.026 68 HA THR 7 HA THR 7 -13.543 -9.690 -6.532 69 HB THR 7 HB THR 7 -14.609 -9.316 -8.636 70 HG1 THR 7 HG1 THR 7 -12.537 -10.949 -9.599 71 HG21 THR 7 1HG2 THR 7 -12.108 -8.299 -9.647 72 HG22 THR 7 2HG2 THR 7 -12.224 -8.043 -7.906 73 HG23 THR 7 3HG2 THR 7 -13.481 -7.422 -8.975 74 H VAL 8 H VAL 8 -15.627 -10.826 -7.219 75 HA VAL 8 HA VAL 8 -15.427 -13.566 -6.501 76 HB VAL 8 HB VAL 8 -17.388 -12.109 -5.979 77 HG11 VAL 8 1HG1 VAL 8 -18.880 -11.372 -7.557 78 HG12 VAL 8 2HG1 VAL 8 -17.375 -11.280 -8.474 79 HG13 VAL 8 3HG1 VAL 8 -18.466 -12.647 -8.703 80 HG21 VAL 8 1HG2 VAL 8 -17.391 -14.650 -5.992 81 HG22 VAL 8 2HG2 VAL 8 -18.964 -13.858 -6.077 82 HG23 VAL 8 3HG2 VAL 8 -18.240 -14.537 -7.534 83 H SER 9 H SER 9 -14.992 -11.999 -9.435 84 HA SER 9 HA SER 9 -15.983 -14.162 -11.097 85 HB2 SER 9 2HB SER 9 -14.860 -11.443 -11.579 86 HB3 SER 9 3HB SER 9 -14.701 -12.636 -12.868 87 HG SER 9 HG SER 9 -16.638 -11.502 -13.098 88 H ASN 10 H ASN 10 -13.554 -14.183 -9.133 89 HA ASN 10 HA ASN 10 -11.626 -15.386 -8.983 90 HB2 ASN 10 2HB ASN 10 -13.097 -16.718 -10.917 91 HB3 ASN 10 3HB ASN 10 -11.546 -16.442 -11.704 92 HD21 ASN 10 1HD2 ASN 10 -13.201 -18.020 -9.098 93 HD22 ASN 10 2HD2 ASN 10 -11.912 -19.079 -8.648 94 H LYS 11 H LYS 11 -11.708 -12.662 -10.025 95 HA LYS 11 HA LYS 11 -9.331 -12.661 -11.759 96 HB2 LYS 11 2HB LYS 11 -11.405 -10.519 -11.264 97 HB3 LYS 11 3HB LYS 11 -9.956 -10.285 -12.233 98 HG2 LYS 11 2HG LYS 11 -10.712 -12.049 -13.763 99 HG3 LYS 11 3HG LYS 11 -12.183 -12.231 -12.804 100 HD2 LYS 11 2HD LYS 11 -12.925 -10.051 -13.367 101 HD3 LYS 11 3HD LYS 11 -11.354 -9.614 -14.042 102 HE2 LYS 11 2HE LYS 11 -11.936 -11.745 -15.572 103 HE3 LYS 11 3HE LYS 11 -13.568 -11.176 -15.221 104 HZ1 LYS 11 1HZ LYS 11 -11.549 -10.021 -16.912 105 HZ2 LYS 11 2HZ LYS 11 -12.258 -8.901 -15.863 106 HZ3 LYS 11 3HZ LYS 11 -13.226 -9.797 -16.923 107 H VAL 12 H VAL 12 -7.579 -12.648 -10.477 108 HA VAL 12 HA VAL 12 -7.528 -10.782 -8.201 109 HB VAL 12 HB VAL 12 -5.629 -13.071 -8.713 110 HG11 VAL 12 1HG1 VAL 12 -5.347 -10.913 -7.061 111 HG12 VAL 12 2HG1 VAL 12 -6.060 -12.115 -5.984 112 HG13 VAL 12 3HG1 VAL 12 -4.559 -12.475 -6.838 113 HG21 VAL 12 1HG2 VAL 12 -8.343 -13.071 -7.679 114 HG22 VAL 12 2HG2 VAL 12 -7.316 -14.423 -8.155 115 HG23 VAL 12 3HG2 VAL 12 -7.185 -13.745 -6.533 116 H ILE 13 H ILE 13 -6.265 -9.043 -8.288 117 HA ILE 13 HA ILE 13 -4.049 -9.001 -10.224 118 HB ILE 13 HB ILE 13 -5.975 -6.737 -9.690 119 HG12 ILE 13 2HG1 ILE 13 -6.943 -8.432 -11.143 120 HG13 ILE 13 3HG1 ILE 13 -6.542 -7.001 -12.087 121 HG21 ILE 13 1HG2 ILE 13 -4.000 -5.622 -10.062 122 HG22 ILE 13 2HG2 ILE 13 -3.362 -6.884 -11.116 123 HG23 ILE 13 3HG2 ILE 13 -4.610 -5.788 -11.709 124 HD11 ILE 13 1HD1 ILE 13 -4.287 -8.668 -12.179 125 HD12 ILE 13 2HD1 ILE 13 -5.693 -9.698 -12.449 126 HD13 ILE 13 3HD1 ILE 13 -5.418 -8.293 -13.478 127 H GLN 14 H GLN 14 -2.199 -8.749 -9.177 128 HA GLN 14 HA GLN 14 -2.193 -7.267 -6.639 129 HB2 GLN 14 2HB GLN 14 -1.352 -9.416 -6.225 130 HB3 GLN 14 3HB GLN 14 -0.450 -9.454 -7.734 131 HG2 GLN 14 2HG GLN 14 0.267 -7.450 -5.649 132 HG3 GLN 14 3HG GLN 14 0.779 -9.126 -5.462 133 HE21 GLN 14 1HE2 GLN 14 1.378 -9.880 -7.976 134 HE22 GLN 14 2HE2 GLN 14 2.684 -8.937 -8.600 135 H ILE 15 H ILE 15 -1.407 -5.278 -6.674 136 HA ILE 15 HA ILE 15 0.642 -4.609 -8.686 137 HB ILE 15 HB ILE 15 -0.235 -2.261 -8.567 138 HG12 ILE 15 2HG1 ILE 15 -2.550 -3.614 -7.163 139 HG13 ILE 15 3HG1 ILE 15 -1.439 -2.459 -6.436 140 HG21 ILE 15 1HG2 ILE 15 -1.803 -2.608 -10.247 141 HG22 ILE 15 2HG2 ILE 15 -0.821 -4.072 -10.305 142 HG23 ILE 15 3HG2 ILE 15 -2.399 -4.099 -9.518 143 HD11 ILE 15 1HD1 ILE 15 -3.831 -1.990 -7.942 144 HD12 ILE 15 2HD1 ILE 15 -2.846 -0.858 -7.015 145 HD13 ILE 15 3HD1 ILE 15 -2.457 -1.189 -8.703 146 H THR 16 H THR 16 2.234 -3.070 -8.076 147 HA THR 16 HA THR 16 2.571 -2.805 -5.159 148 HB THR 16 HB THR 16 4.961 -2.942 -5.434 149 HG1 THR 16 HG1 THR 16 4.391 -3.106 -8.223 150 HG21 THR 16 1HG2 THR 16 4.787 -5.160 -5.349 151 HG22 THR 16 2HG2 THR 16 4.606 -5.223 -7.102 152 HG23 THR 16 3HG2 THR 16 3.183 -5.059 -6.074 153 H SER 17 H SER 17 1.168 -0.825 -6.024 154 HA SER 17 HA SER 17 2.780 1.470 -5.672 155 HB2 SER 17 2HB SER 17 3.479 1.316 -7.921 156 HB3 SER 17 3HB SER 17 1.876 0.838 -8.477 157 HG SER 17 HG SER 17 2.835 3.377 -7.764 158 H LEU 18 H LEU 18 1.135 1.627 -4.051 159 HA LEU 18 HA LEU 18 -1.504 2.446 -5.059 160 HB2 LEU 18 2HB LEU 18 -0.879 0.625 -3.121 161 HB3 LEU 18 3HB LEU 18 -1.190 2.076 -2.170 162 HG LEU 18 HG LEU 18 -3.429 2.235 -3.091 163 HD11 LEU 18 1HD1 LEU 18 -3.672 1.428 -5.165 164 HD12 LEU 18 2HD1 LEU 18 -3.986 -0.109 -4.360 165 HD13 LEU 18 3HD1 LEU 18 -2.371 0.253 -4.969 166 HD21 LEU 18 1HD2 LEU 18 -4.388 0.215 -2.098 167 HD22 LEU 18 2HD2 LEU 18 -3.104 0.884 -1.090 168 HD23 LEU 18 3HD2 LEU 18 -2.793 -0.538 -2.087 169 H THR 19 H THR 19 -2.531 4.292 -4.114 170 HA THR 19 HA THR 19 -0.668 6.444 -3.619 171 HB THR 19 HB THR 19 -3.548 7.005 -3.321 172 HG1 THR 19 HG1 THR 19 -3.885 5.607 -4.959 173 HG21 THR 19 1HG2 THR 19 -2.916 9.020 -4.075 174 HG22 THR 19 2HG2 THR 19 -2.033 8.328 -5.436 175 HG23 THR 19 3HG2 THR 19 -1.264 8.444 -3.854 176 H ASP 20 H ASP 20 -1.558 8.129 -1.904 177 HA ASP 20 HA ASP 20 -2.084 6.658 0.594 178 HB2 ASP 20 2HB ASP 20 -0.736 8.851 1.468 179 HB3 ASP 20 3HB ASP 20 0.017 7.292 1.145 180 H ASP 21 H ASP 21 -3.329 8.788 -1.543 181 HA ASP 21 HA ASP 21 -4.539 10.583 0.411 182 HB2 ASP 21 2HB ASP 21 -4.881 10.493 -2.594 183 HB3 ASP 21 3HB ASP 21 -5.447 11.769 -1.520 184 H ASN 22 H ASN 22 -5.552 8.203 -2.028 185 HA ASN 22 HA ASN 22 -8.129 7.991 -0.614 186 HB2 ASN 22 2HB ASN 22 -7.470 8.124 -3.499 187 HB3 ASN 22 3HB ASN 22 -8.709 6.957 -3.044 188 HD21 ASN 22 1HD2 ASN 22 -7.957 10.113 -1.647 189 HD22 ASN 22 2HD2 ASN 22 -9.499 10.820 -1.971 190 H THR 23 H THR 23 -5.841 6.164 -2.640 191 HA THR 23 HA THR 23 -5.169 3.989 -2.599 192 HB THR 23 HB THR 23 -6.225 4.103 0.232 193 HG1 THR 23 HG1 THR 23 -4.269 5.378 -0.643 194 HG21 THR 23 1HG2 THR 23 -5.931 1.895 0.325 195 HG22 THR 23 2HG2 THR 23 -4.219 2.149 -0.014 196 HG23 THR 23 3HG2 THR 23 -5.348 1.863 -1.338 197 H ILE 24 H ILE 24 -7.825 3.409 -0.362 198 HA ILE 24 HA ILE 24 -8.862 1.253 -1.825 199 HB ILE 24 HB ILE 24 -10.254 2.957 0.244 200 HG12 ILE 24 2HG1 ILE 24 -9.642 0.619 1.476 201 HG13 ILE 24 3HG1 ILE 24 -8.276 0.763 0.375 202 HG21 ILE 24 1HG2 ILE 24 -12.063 1.824 -0.438 203 HG22 ILE 24 2HG2 ILE 24 -11.106 0.633 -1.317 204 HG23 ILE 24 3HG2 ILE 24 -11.340 0.465 0.423 205 HD11 ILE 24 1HD1 ILE 24 -8.722 3.277 1.641 206 HD12 ILE 24 2HD1 ILE 24 -8.640 2.008 2.864 207 HD13 ILE 24 3HD1 ILE 24 -7.312 2.220 1.722 208 H ALA 25 H ALA 25 -10.381 4.442 -1.304 209 HA ALA 25 HA ALA 25 -12.454 4.174 -3.115 210 HB1 ALA 25 1HB ALA 25 -12.083 6.023 -1.427 211 HB2 ALA 25 2HB ALA 25 -11.030 6.776 -2.625 212 HB3 ALA 25 3HB ALA 25 -12.735 6.513 -2.991 213 H GLU 26 H GLU 26 -9.113 5.133 -3.677 214 HA GLU 26 HA GLU 26 -9.465 5.970 -6.364 215 HB2 GLU 26 2HB GLU 26 -7.506 6.492 -4.825 216 HB3 GLU 26 3HB GLU 26 -6.917 4.875 -5.181 217 HG2 GLU 26 2HG GLU 26 -5.758 6.227 -6.664 218 HG3 GLU 26 3HG GLU 26 -7.067 5.562 -7.639 219 H LEU 27 H LEU 27 -8.560 2.892 -4.879 220 HA LEU 27 HA LEU 27 -7.996 1.530 -7.294 221 HB2 LEU 27 2HB LEU 27 -7.887 0.969 -4.562 222 HB3 LEU 27 3HB LEU 27 -9.022 -0.204 -5.227 223 HG LEU 27 HG LEU 27 -6.691 -1.034 -5.084 224 HD11 LEU 27 1HD1 LEU 27 -7.843 -0.769 -7.856 225 HD12 LEU 27 2HD1 LEU 27 -8.220 -2.022 -6.675 226 HD13 LEU 27 3HD1 LEU 27 -6.604 -1.928 -7.374 227 HD21 LEU 27 1HD2 LEU 27 -4.944 -0.143 -6.341 228 HD22 LEU 27 2HD2 LEU 27 -5.749 1.281 -5.681 229 HD23 LEU 27 3HD2 LEU 27 -6.030 0.805 -7.357 230 H LYS 28 H LYS 28 -10.887 1.560 -5.218 231 HA LYS 28 HA LYS 28 -12.440 -0.103 -6.899 232 HB2 LYS 28 2HB LYS 28 -14.343 0.635 -5.557 233 HB3 LYS 28 3HB LYS 28 -12.969 0.248 -4.528 234 HG2 LYS 28 2HG LYS 28 -12.444 2.691 -4.453 235 HG3 LYS 28 3HG LYS 28 -13.969 2.980 -5.295 236 HD2 LYS 28 2HD LYS 28 -13.653 1.603 -2.627 237 HD3 LYS 28 3HD LYS 28 -14.216 3.257 -2.876 238 HE2 LYS 28 2HE LYS 28 -15.563 0.731 -3.825 239 HE3 LYS 28 3HE LYS 28 -16.102 1.781 -2.515 240 HZ1 LYS 28 1HZ LYS 28 -17.360 2.665 -4.134 241 HZ2 LYS 28 2HZ LYS 28 -16.360 2.118 -5.384 242 HZ3 LYS 28 3HZ LYS 28 -15.953 3.519 -4.528 243 H GLY 29 H GLY 29 -12.122 3.413 -6.622 244 HA2 GLY 29 2HA GLY 29 -14.170 4.044 -8.482 245 HA3 GLY 29 3HA GLY 29 -12.882 5.120 -7.961 246 H LYS 30 H LYS 30 -10.745 3.355 -8.833 247 HA LYS 30 HA LYS 30 -10.597 4.226 -11.557 248 HB2 LYS 30 2HB LYS 30 -8.781 2.710 -9.715 249 HB3 LYS 30 3HB LYS 30 -8.427 2.776 -11.436 250 HG2 LYS 30 2HG LYS 30 -8.855 5.230 -9.754 251 HG3 LYS 30 3HG LYS 30 -7.272 4.492 -10.013 252 HD2 LYS 30 2HD LYS 30 -7.543 4.785 -12.435 253 HD3 LYS 30 3HD LYS 30 -9.113 5.543 -12.162 254 HE2 LYS 30 2HE LYS 30 -7.683 7.358 -12.408 255 HE3 LYS 30 3HE LYS 30 -7.813 7.183 -10.658 256 HZ1 LYS 30 1HZ LYS 30 -5.642 6.851 -10.515 257 HZ2 LYS 30 2HZ LYS 30 -5.501 7.213 -12.162 258 HZ3 LYS 30 3HZ LYS 30 -5.683 5.607 -11.661 259 H LEU 31 H LEU 31 -11.214 1.185 -9.921 260 HA LEU 31 HA LEU 31 -10.959 -0.494 -12.187 261 HB2 LEU 31 2HB LEU 31 -11.220 -0.937 -9.552 262 HB3 LEU 31 3HB LEU 31 -12.877 -1.244 -10.067 263 HG LEU 31 HG LEU 31 -11.579 -3.307 -9.924 264 HD11 LEU 31 1HD1 LEU 31 -13.341 -2.728 -11.785 265 HD12 LEU 31 2HD1 LEU 31 -12.437 -4.241 -11.827 266 HD13 LEU 31 3HD1 LEU 31 -11.943 -2.891 -12.848 267 HD21 LEU 31 1HD2 LEU 31 -9.903 -2.331 -12.214 268 HD22 LEU 31 2HD2 LEU 31 -9.651 -3.735 -11.176 269 HD23 LEU 31 3HD2 LEU 31 -9.401 -2.109 -10.538 270 H GLU 32 H GLU 32 -13.725 1.145 -10.699 271 HA GLU 32 HA GLU 32 -15.676 0.060 -12.445 272 HB2 GLU 32 2HB GLU 32 -17.115 1.906 -11.611 273 HB3 GLU 32 3HB GLU 32 -16.348 0.987 -10.323 274 HG2 GLU 32 2HG GLU 32 -14.644 2.751 -10.115 275 HG3 GLU 32 3HG GLU 32 -15.488 3.682 -11.351 276 H GLU 33 H GLU 33 -13.777 3.043 -12.490 277 HA GLU 33 HA GLU 33 -15.043 4.166 -14.764 278 HB2 GLU 33 2HB GLU 33 -13.392 5.180 -12.933 279 HB3 GLU 33 3HB GLU 33 -12.198 4.812 -14.169 280 HG2 GLU 33 2HG GLU 33 -12.834 7.049 -14.511 281 HG3 GLU 33 3HG GLU 33 -13.626 6.115 -15.779 282 H SER 34 H SER 34 -12.337 1.982 -14.327 283 HA SER 34 HA SER 34 -11.267 2.140 -16.927 284 HB2 SER 34 2HB SER 34 -10.004 0.214 -16.375 285 HB3 SER 34 3HB SER 34 -10.225 1.065 -14.847 286 HG SER 34 HG SER 34 -11.147 -1.392 -15.639 287 H GLU 35 H GLU 35 -13.694 -0.020 -15.505 288 HA GLU 35 HA GLU 35 -14.126 -1.389 -18.010 289 HB2 GLU 35 2HB GLU 35 -15.351 -1.569 -15.273 290 HB3 GLU 35 3HB GLU 35 -16.091 -2.384 -16.644 291 HG2 GLU 35 2HG GLU 35 -13.197 -2.818 -16.168 292 HG3 GLU 35 3HG GLU 35 -14.345 -3.584 -15.072 293 H GLY 36 H GLY 36 -15.046 1.558 -16.829 294 HA2 GLY 36 2HA GLY 36 -16.412 3.086 -17.981 295 HA3 GLY 36 3HA GLY 36 -17.205 1.738 -18.784 296 H ILE 37 H ILE 37 -17.980 0.202 -16.625 297 HA ILE 37 HA ILE 37 -19.616 1.974 -14.959 298 HB ILE 37 HB ILE 37 -21.557 0.375 -15.314 299 HG12 ILE 37 2HG1 ILE 37 -20.694 -0.285 -18.017 300 HG13 ILE 37 3HG1 ILE 37 -19.671 -1.031 -16.795 301 HG21 ILE 37 1HG2 ILE 37 -21.137 2.717 -16.358 302 HG22 ILE 37 2HG2 ILE 37 -20.912 1.810 -17.853 303 HG23 ILE 37 3HG2 ILE 37 -22.441 1.707 -16.982 304 HD11 ILE 37 1HD1 ILE 37 -22.182 -1.521 -15.836 305 HD12 ILE 37 2HD1 ILE 37 -22.402 -1.646 -17.582 306 HD13 ILE 37 3HD1 ILE 37 -21.198 -2.646 -16.771 307 HA PRO 38 HA PRO 38 -18.643 -0.800 -11.698 308 HB2 PRO 38 2HB PRO 38 -20.868 -0.602 -10.155 309 HB3 PRO 38 3HB PRO 38 -19.670 0.691 -10.283 310 HG2 PRO 38 2HG PRO 38 -22.303 0.403 -11.679 311 HG3 PRO 38 3HG PRO 38 -21.581 1.843 -10.937 312 HD2 PRO 38 2HD PRO 38 -21.528 1.398 -13.607 313 HD3 PRO 38 3HD PRO 38 -20.227 2.256 -12.756 314 H GLY 39 H GLY 39 -18.747 -2.946 -11.344 315 HA2 GLY 39 2HA GLY 39 -20.144 -4.697 -12.938 316 HA3 GLY 39 3HA GLY 39 -19.517 -5.113 -11.350 317 H ASN 40 H ASN 40 -21.074 -3.592 -9.688 318 HA ASN 40 HA ASN 40 -23.808 -3.537 -10.173 319 HB2 ASN 40 2HB ASN 40 -22.857 -6.192 -9.910 320 HB3 ASN 40 3HB ASN 40 -23.738 -5.817 -8.432 321 HD21 ASN 40 1HD2 ASN 40 -25.933 -5.187 -8.589 322 HD22 ASN 40 2HD2 ASN 40 -26.885 -5.637 -9.958 323 H MET 41 H MET 41 -22.005 -4.994 -7.464 324 HA MET 41 HA MET 41 -23.099 -2.901 -5.720 325 HB2 MET 41 2HB MET 41 -23.659 -5.039 -4.881 326 HB3 MET 41 3HB MET 41 -22.044 -5.668 -5.178 327 HG2 MET 41 2HG MET 41 -22.280 -5.364 -2.839 328 HG3 MET 41 3HG MET 41 -21.194 -4.110 -3.432 329 HE1 MET 41 1HE MET 41 -24.962 -4.180 -1.342 330 HE2 MET 41 2HE MET 41 -23.436 -5.054 -1.214 331 HE3 MET 41 3HE MET 41 -23.646 -3.518 -0.373 332 H ILE 42 H ILE 42 -20.091 -4.475 -6.678 333 HA ILE 42 HA ILE 42 -17.900 -3.932 -6.359 334 HB ILE 42 HB ILE 42 -18.894 -1.087 -6.235 335 HG12 ILE 42 2HG1 ILE 42 -19.903 -2.183 -8.163 336 HG13 ILE 42 3HG1 ILE 42 -18.643 -1.076 -8.698 337 HG21 ILE 42 1HG2 ILE 42 -16.488 -1.461 -7.718 338 HG22 ILE 42 2HG2 ILE 42 -16.749 -0.527 -6.247 339 HG23 ILE 42 3HG2 ILE 42 -16.317 -2.233 -6.142 340 HD11 ILE 42 1HD1 ILE 42 -18.937 -3.799 -9.311 341 HD12 ILE 42 2HD1 ILE 42 -17.625 -2.714 -9.771 342 HD13 ILE 42 3HD1 ILE 42 -17.508 -3.660 -8.288 343 H ARG 43 H ARG 43 -18.707 -4.867 -4.075 344 HA ARG 43 HA ARG 43 -17.745 -2.952 -2.053 345 HB2 ARG 43 2HB ARG 43 -20.047 -4.851 -1.990 346 HB3 ARG 43 3HB ARG 43 -19.169 -4.549 -0.496 347 HG2 ARG 43 2HG ARG 43 -20.348 -2.373 -2.205 348 HG3 ARG 43 3HG ARG 43 -21.186 -3.122 -0.845 349 HD2 ARG 43 2HD ARG 43 -19.141 -2.487 0.542 350 HD3 ARG 43 3HD ARG 43 -18.683 -1.461 -0.817 351 HE ARG 43 HE ARG 43 -20.731 -0.950 1.112 352 HH11 ARG 43 1HH1 ARG 43 -19.743 -0.383 -2.178 353 HH12 ARG 43 2HH1 ARG 43 -20.644 1.088 -2.333 354 HH21 ARG 43 1HH2 ARG 43 -21.922 0.986 0.920 355 HH22 ARG 43 2HH2 ARG 43 -21.883 1.867 -0.570 356 H LEU 44 H LEU 44 -15.804 -3.529 -1.353 357 HA LEU 44 HA LEU 44 -15.093 -6.381 -1.318 358 HB2 LEU 44 2HB LEU 44 -12.760 -5.596 -1.219 359 HB3 LEU 44 3HB LEU 44 -13.614 -5.055 -2.663 360 HG LEU 44 HG LEU 44 -13.497 -3.203 -0.340 361 HD11 LEU 44 1HD1 LEU 44 -11.155 -4.090 -1.949 362 HD12 LEU 44 2HD1 LEU 44 -11.249 -3.630 -0.250 363 HD13 LEU 44 3HD1 LEU 44 -11.290 -2.389 -1.502 364 HD21 LEU 44 1HD2 LEU 44 -14.360 -3.095 -2.988 365 HD22 LEU 44 2HD2 LEU 44 -12.863 -2.163 -2.954 366 HD23 LEU 44 3HD2 LEU 44 -14.188 -1.744 -1.867 367 H VAL 45 H VAL 45 -13.866 -7.202 0.486 368 HA VAL 45 HA VAL 45 -14.447 -5.768 2.996 369 HB VAL 45 HB VAL 45 -14.276 -8.752 2.551 370 HG11 VAL 45 1HG1 VAL 45 -15.429 -8.160 5.041 371 HG12 VAL 45 2HG1 VAL 45 -13.865 -8.915 4.728 372 HG13 VAL 45 3HG1 VAL 45 -13.978 -7.165 4.922 373 HG21 VAL 45 1HG2 VAL 45 -16.625 -6.961 3.160 374 HG22 VAL 45 2HG2 VAL 45 -16.328 -7.829 1.654 375 HG23 VAL 45 3HG2 VAL 45 -16.674 -8.723 3.134 376 H TYR 46 H TYR 46 -12.729 -5.103 4.089 377 HA TYR 46 HA TYR 46 -10.117 -6.294 3.481 378 HB2 TYR 46 2HB TYR 46 -10.868 -3.666 3.575 379 HB3 TYR 46 3HB TYR 46 -10.186 -3.894 5.181 380 HD1 TYR 46 HD1 TYR 46 -9.291 -2.410 2.412 381 HD2 TYR 46 HD2 TYR 46 -8.005 -5.793 4.649 382 HE1 TYR 46 HE1 TYR 46 -7.029 -2.159 1.480 383 HE2 TYR 46 HE2 TYR 46 -5.739 -5.550 3.724 384 HH TYR 46 HH TYR 46 -5.040 -3.409 1.114 385 H GLN 47 H GLN 47 -9.402 -7.780 4.845 386 HA GLN 47 HA GLN 47 -9.027 -8.989 6.736 387 HB2 GLN 47 2HB GLN 47 -8.302 -6.395 7.273 388 HB3 GLN 47 3HB GLN 47 -9.392 -6.758 8.604 389 HG2 GLN 47 2HG GLN 47 -7.188 -7.275 9.310 390 HG3 GLN 47 3HG GLN 47 -8.041 -8.797 9.063 391 HE21 GLN 47 1HE2 GLN 47 -5.441 -6.786 8.070 392 HE22 GLN 47 2HE2 GLN 47 -4.741 -7.877 6.929 393 H GLY 48 H GLY 48 -11.742 -8.797 5.828 394 HA2 GLY 48 2HA GLY 48 -13.748 -9.672 6.573 395 HA3 GLY 48 3HA GLY 48 -13.051 -9.795 8.181 396 H LYS 49 H LYS 49 -12.638 -6.701 6.966 397 HA LYS 49 HA LYS 49 -15.043 -5.761 8.388 398 HB2 LYS 49 2HB LYS 49 -12.285 -5.135 8.791 399 HB3 LYS 49 3HB LYS 49 -13.104 -3.686 8.222 400 HG2 LYS 49 2HG LYS 49 -13.112 -3.754 10.633 401 HG3 LYS 49 3HG LYS 49 -14.758 -3.931 10.020 402 HD2 LYS 49 2HD LYS 49 -14.358 -5.490 11.842 403 HD3 LYS 49 3HD LYS 49 -14.594 -6.364 10.326 404 HE2 LYS 49 2HE LYS 49 -12.259 -6.773 10.109 405 HE3 LYS 49 3HE LYS 49 -11.880 -5.668 11.429 406 HZ1 LYS 49 1HZ LYS 49 -11.794 -8.065 12.026 407 HZ2 LYS 49 2HZ LYS 49 -13.464 -8.153 11.773 408 HZ3 LYS 49 3HZ LYS 49 -12.845 -7.155 12.991 409 H GLN 50 H GLN 50 -15.909 -3.683 7.647 410 HA GLN 50 HA GLN 50 -15.523 -3.337 4.747 411 HB2 GLN 50 2HB GLN 50 -18.010 -2.756 6.363 412 HB3 GLN 50 3HB GLN 50 -17.843 -2.609 4.618 413 HG2 GLN 50 2HG GLN 50 -17.463 -5.026 4.463 414 HG3 GLN 50 3HG GLN 50 -17.676 -5.159 6.208 415 HE21 GLN 50 1HE2 GLN 50 -19.716 -4.978 7.087 416 HE22 GLN 50 2HE2 GLN 50 -21.153 -5.027 6.130 417 H LEU 51 H LEU 51 -16.389 -1.060 4.058 418 HA LEU 51 HA LEU 51 -15.952 1.171 3.995 419 HB2 LEU 51 2HB LEU 51 -16.037 1.237 6.982 420 HB3 LEU 51 3HB LEU 51 -16.621 2.430 5.823 421 HG LEU 51 HG LEU 51 -17.915 -0.220 6.467 422 HD11 LEU 51 1HD1 LEU 51 -19.221 0.847 7.927 423 HD12 LEU 51 2HD1 LEU 51 -19.422 2.241 6.866 424 HD13 LEU 51 3HD1 LEU 51 -17.998 2.118 7.899 425 HD21 LEU 51 1HD2 LEU 51 -18.820 -0.046 4.438 426 HD22 LEU 51 2HD2 LEU 51 -18.187 1.585 4.207 427 HD23 LEU 51 3HD2 LEU 51 -19.709 1.342 5.066 428 H GLU 52 H GLU 52 -13.847 1.147 3.264 429 HA GLU 52 HA GLU 52 -11.785 1.508 5.338 430 HB2 GLU 52 2HB GLU 52 -11.262 0.344 2.606 431 HB3 GLU 52 3HB GLU 52 -10.182 0.372 3.993 432 HG2 GLU 52 2HG GLU 52 -10.868 -1.694 4.406 433 HG3 GLU 52 3HG GLU 52 -12.390 -0.979 4.934 434 H ASP 53 H ASP 53 -13.519 3.012 3.000 435 HA ASP 53 HA ASP 53 -11.717 4.465 1.472 436 HB2 ASP 53 2HB ASP 53 -14.291 4.406 1.360 437 HB3 ASP 53 3HB ASP 53 -14.240 5.687 2.567 438 H GLU 54 H GLU 54 -12.814 5.003 4.773 439 HA GLU 54 HA GLU 54 -11.618 7.566 5.071 440 HB2 GLU 54 2HB GLU 54 -13.391 6.983 6.557 441 HB3 GLU 54 3HB GLU 54 -12.571 5.513 7.063 442 HG2 GLU 54 2HG GLU 54 -11.190 6.604 8.495 443 HG3 GLU 54 3HG GLU 54 -11.177 8.082 7.535 444 H LYS 55 H LYS 55 -10.402 4.361 5.133 445 HA LYS 55 HA LYS 55 -7.969 5.157 6.549 446 HB2 LYS 55 2HB LYS 55 -9.067 2.492 5.673 447 HB3 LYS 55 3HB LYS 55 -7.415 2.675 6.249 448 HG2 LYS 55 2HG LYS 55 -8.388 2.127 8.211 449 HG3 LYS 55 3HG LYS 55 -8.680 3.867 8.267 450 HD2 LYS 55 2HD LYS 55 -10.915 3.520 7.330 451 HD3 LYS 55 3HD LYS 55 -10.621 1.780 7.269 452 HE2 LYS 55 2HE LYS 55 -11.418 1.633 9.337 453 HE3 LYS 55 3HE LYS 55 -10.027 2.563 9.892 454 HZ1 LYS 55 1HZ LYS 55 -11.460 4.119 10.507 455 HZ2 LYS 55 2HZ LYS 55 -12.755 3.333 9.755 456 HZ3 LYS 55 3HZ LYS 55 -11.794 4.410 8.874 457 H ARG 56 H ARG 56 -8.496 6.270 3.961 458 HA ARG 56 HA ARG 56 -7.318 5.046 1.802 459 HB2 ARG 56 2HB ARG 56 -6.578 7.501 1.233 460 HB3 ARG 56 3HB ARG 56 -8.282 7.067 1.261 461 HG2 ARG 56 2HG ARG 56 -7.436 7.895 3.874 462 HG3 ARG 56 3HG ARG 56 -7.013 9.118 2.674 463 HD2 ARG 56 2HD ARG 56 -9.555 8.397 1.933 464 HD3 ARG 56 3HD ARG 56 -9.627 8.308 3.692 465 HE ARG 56 HE ARG 56 -9.489 10.667 2.107 466 HH11 ARG 56 1HH1 ARG 56 -8.502 9.292 5.149 467 HH12 ARG 56 2HH1 ARG 56 -8.411 10.820 5.960 468 HH21 ARG 56 1HH2 ARG 56 -9.372 12.686 3.163 469 HH22 ARG 56 2HH2 ARG 56 -8.907 12.750 4.829 470 H LEU 57 H LEU 57 -5.601 7.455 3.796 471 HA LEU 57 HA LEU 57 -3.045 6.634 2.865 472 HB2 LEU 57 2HB LEU 57 -3.848 8.893 3.891 473 HB3 LEU 57 3HB LEU 57 -3.436 8.128 5.424 474 HG LEU 57 HG LEU 57 -1.413 8.247 3.223 475 HD11 LEU 57 1HD1 LEU 57 -0.824 10.414 3.608 476 HD12 LEU 57 2HD1 LEU 57 -1.487 10.423 5.242 477 HD13 LEU 57 3HD1 LEU 57 -2.567 10.540 3.853 478 HD21 LEU 57 1HD2 LEU 57 -1.464 7.226 5.812 479 HD22 LEU 57 2HD2 LEU 57 -0.537 8.722 5.932 480 HD23 LEU 57 3HD2 LEU 57 -0.045 7.468 4.792 481 H LYS 58 H LYS 58 -4.981 5.873 5.694 482 HA LYS 58 HA LYS 58 -3.033 4.629 7.263 483 HB2 LYS 58 2HB LYS 58 -5.870 4.919 7.289 484 HB3 LYS 58 3HB LYS 58 -5.493 3.224 7.566 485 HG2 LYS 58 2HG LYS 58 -3.788 4.958 9.129 486 HG3 LYS 58 3HG LYS 58 -5.498 5.259 9.446 487 HD2 LYS 58 2HD LYS 58 -5.873 3.016 10.086 488 HD3 LYS 58 3HD LYS 58 -4.323 2.489 9.426 489 HE2 LYS 58 2HE LYS 58 -3.261 2.968 11.326 490 HE3 LYS 58 3HE LYS 58 -3.986 4.573 11.404 491 HZ1 LYS 58 1HZ LYS 58 -4.643 3.339 13.321 492 HZ2 LYS 58 2HZ LYS 58 -5.171 2.035 12.383 493 HZ3 LYS 58 3HZ LYS 58 -6.002 3.507 12.327 494 H ASP 59 H ASP 59 -4.698 3.544 4.420 495 HA ASP 59 HA ASP 59 -3.963 0.770 4.782 496 HB2 ASP 59 2HB ASP 59 -5.581 2.326 2.861 497 HB3 ASP 59 3HB ASP 59 -4.759 0.919 2.192 498 H TYR 60 H TYR 60 -2.490 3.572 3.580 499 HA TYR 60 HA TYR 60 -0.835 2.314 1.599 500 HB2 TYR 60 2HB TYR 60 -1.379 4.673 1.384 501 HB3 TYR 60 3HB TYR 60 -0.637 5.017 2.942 502 HD1 TYR 60 HD1 TYR 60 0.143 3.742 -0.467 503 HD2 TYR 60 HD2 TYR 60 1.623 5.595 3.065 504 HE1 TYR 60 HE1 TYR 60 2.293 4.149 -1.589 505 HE2 TYR 60 HE2 TYR 60 3.777 6.009 1.952 506 HH TYR 60 HH TYR 60 4.357 4.935 -1.385 507 H GLN 61 H GLN 61 -0.719 2.749 5.008 508 HA GLN 61 HA GLN 61 2.138 2.384 5.225 509 HB2 GLN 61 2HB GLN 61 1.892 2.766 7.495 510 HB3 GLN 61 3HB GLN 61 0.547 3.684 6.829 511 HG2 GLN 61 2HG GLN 61 -0.839 1.566 7.243 512 HG3 GLN 61 3HG GLN 61 0.501 1.064 8.273 513 HE21 GLN 61 1HE2 GLN 61 -1.200 4.128 7.698 514 HE22 GLN 61 2HE2 GLN 61 -1.535 4.450 9.362 515 H MET 62 H MET 62 -0.480 0.371 4.699 516 HA MET 62 HA MET 62 0.468 -1.898 6.206 517 HB2 MET 62 2HB MET 62 -1.560 -1.982 3.983 518 HB3 MET 62 3HB MET 62 -1.407 -3.065 5.360 519 HG2 MET 62 2HG MET 62 -2.159 -0.162 5.577 520 HG3 MET 62 3HG MET 62 -3.320 -1.484 5.488 521 HE1 MET 62 1HE MET 62 -3.928 -2.702 8.620 522 HE2 MET 62 2HE MET 62 -3.771 -3.085 6.906 523 HE3 MET 62 3HE MET 62 -2.606 -3.729 8.064 524 H SER 63 H SER 63 0.054 -1.253 2.719 525 HA SER 63 HA SER 63 1.080 -2.133 0.884 526 HB2 SER 63 2HB SER 63 3.537 -2.329 2.629 527 HB3 SER 63 3HB SER 63 3.464 -2.070 0.887 528 HG SER 63 HG SER 63 3.640 -0.229 2.686 529 H ALA 64 H ALA 64 -0.249 -4.002 2.619 530 HA ALA 64 HA ALA 64 0.557 -6.420 1.467 531 HB1 ALA 64 1HB ALA 64 2.480 -6.494 2.802 532 HB2 ALA 64 2HB ALA 64 1.618 -5.918 4.230 533 HB3 ALA 64 3HB ALA 64 1.328 -7.549 3.623 534 H GLY 65 H GLY 65 -1.863 -5.152 1.769 535 HA2 GLY 65 2HA GLY 65 -3.264 -6.855 3.737 536 HA3 GLY 65 3HA GLY 65 -3.818 -5.257 3.258 537 H ALA 66 H ALA 66 -4.217 -8.525 2.784 538 HA ALA 66 HA ALA 66 -4.809 -8.705 0.043 539 HB1 ALA 66 1HB ALA 66 -5.612 -10.816 0.483 540 HB2 ALA 66 2HB ALA 66 -4.548 -10.553 1.866 541 HB3 ALA 66 3HB ALA 66 -6.291 -10.350 2.043 542 H THR 67 H THR 67 -6.571 -8.224 -1.142 543 HA THR 67 HA THR 67 -8.931 -7.176 0.280 544 HB THR 67 HB THR 67 -8.849 -6.023 -2.305 545 HG1 THR 67 HG1 THR 67 -6.395 -5.788 -0.871 546 HG21 THR 67 1HG2 THR 67 -8.929 -3.963 -1.118 547 HG22 THR 67 2HG2 THR 67 -8.170 -4.677 0.305 548 HG23 THR 67 3HG2 THR 67 -9.812 -5.137 -0.143 549 H PHE 68 H PHE 68 -10.918 -7.795 -0.443 550 HA PHE 68 HA PHE 68 -11.018 -9.520 -2.825 551 HB2 PHE 68 2HB PHE 68 -11.070 -11.030 -0.966 552 HB3 PHE 68 3HB PHE 68 -12.253 -10.039 -0.119 553 HD1 PHE 68 HD1 PHE 68 -11.834 -11.953 -3.287 554 HD2 PHE 68 HD2 PHE 68 -14.481 -10.610 -0.236 555 HE1 PHE 68 HE1 PHE 68 -13.650 -13.281 -4.283 556 HE2 PHE 68 HE2 PHE 68 -16.301 -11.937 -1.227 557 HZ PHE 68 HZ PHE 68 -15.887 -13.275 -3.252 558 H HIS 69 H HIS 69 -12.265 -8.553 -4.273 559 HA HIS 69 HA HIS 69 -14.364 -6.726 -3.429 560 HB2 HIS 69 2HB HIS 69 -13.311 -7.442 -6.172 561 HB3 HIS 69 3HB HIS 69 -14.569 -6.248 -5.870 562 HD1 HIS 69 HD1 HIS 69 -13.536 -4.035 -6.243 563 HD2 HIS 69 HD2 HIS 69 -11.012 -6.582 -4.146 564 HE1 HIS 69 HE1 HIS 69 -11.517 -2.652 -5.662 565 H MET 70 H MET 70 -16.539 -6.985 -3.831 566 HA MET 70 HA MET 70 -17.381 -9.593 -4.904 567 HB2 MET 70 2HB MET 70 -17.566 -9.666 -2.474 568 HB3 MET 70 3HB MET 70 -18.504 -8.178 -2.479 569 HG2 MET 70 2HG MET 70 -20.379 -9.310 -2.753 570 HG3 MET 70 3HG MET 70 -19.747 -10.076 -4.208 571 HE1 MET 70 1HE MET 70 -20.694 -10.699 -0.394 572 HE2 MET 70 2HE MET 70 -19.327 -11.712 0.069 573 HE3 MET 70 3HE MET 70 -19.058 -10.042 -0.433 574 H VAL 71 H VAL 71 -18.997 -9.540 -6.357 575 HA VAL 71 HA VAL 71 -20.486 -7.019 -6.679 576 HB VAL 71 HB VAL 71 -20.508 -7.625 -9.180 577 HG11 VAL 71 1HG1 VAL 71 -19.362 -5.702 -8.880 578 HG12 VAL 71 2HG1 VAL 71 -18.374 -6.366 -7.577 579 HG13 VAL 71 3HG1 VAL 71 -17.977 -6.726 -9.258 580 HG21 VAL 71 1HG2 VAL 71 -18.519 -8.853 -9.952 581 HG22 VAL 71 2HG2 VAL 71 -18.116 -9.228 -8.277 582 HG23 VAL 71 3HG2 VAL 71 -19.597 -9.866 -8.992 583 H VAL 72 H VAL 72 -22.525 -7.449 -6.148 584 HA VAL 72 HA VAL 72 -23.662 -10.075 -6.775 585 HB VAL 72 HB VAL 72 -23.997 -9.415 -4.494 586 HG11 VAL 72 1HG1 VAL 72 -25.731 -7.188 -4.668 587 HG12 VAL 72 2HG1 VAL 72 -24.133 -7.274 -3.924 588 HG13 VAL 72 3HG1 VAL 72 -24.294 -6.813 -5.619 589 HG21 VAL 72 1HG2 VAL 72 -25.895 -10.462 -5.877 590 HG22 VAL 72 2HG2 VAL 72 -26.295 -9.773 -4.303 591 HG23 VAL 72 3HG2 VAL 72 -26.653 -8.872 -5.777 592 H ALA 73 H ALA 73 -24.645 -10.243 -8.674 593 HA ALA 73 HA ALA 73 -26.206 -7.941 -9.656 594 HB1 ALA 73 1HB ALA 73 -25.151 -10.062 -11.482 595 HB2 ALA 73 2HB ALA 73 -25.592 -8.393 -11.842 596 HB3 ALA 73 3HB ALA 73 -24.110 -8.741 -10.953 597 H LEU 74 H LEU 74 -28.231 -8.430 -8.972 598 HA LEU 74 HA LEU 74 -29.286 -11.106 -9.570 599 HB2 LEU 74 2HB LEU 74 -31.078 -10.568 -7.999 600 HB3 LEU 74 3HB LEU 74 -29.486 -10.442 -7.252 601 HG LEU 74 HG LEU 74 -30.593 -7.925 -8.315 602 HD11 LEU 74 1HD1 LEU 74 -31.784 -9.228 -5.871 603 HD12 LEU 74 2HD1 LEU 74 -32.614 -8.974 -7.406 604 HD13 LEU 74 3HD1 LEU 74 -32.099 -7.589 -6.442 605 HD21 LEU 74 1HD2 LEU 74 -29.477 -6.985 -6.503 606 HD22 LEU 74 2HD2 LEU 74 -28.448 -8.346 -6.952 607 HD23 LEU 74 3HD2 LEU 74 -29.533 -8.480 -5.567 608 H ARG 75 H ARG 75 -29.587 -7.742 -10.331 609 HA ARG 75 HA ARG 75 -32.154 -7.985 -11.613 610 HB2 ARG 75 2HB ARG 75 -30.390 -5.856 -10.838 611 HB3 ARG 75 3HB ARG 75 -30.824 -5.664 -12.532 612 HG2 ARG 75 2HG ARG 75 -32.818 -4.885 -11.978 613 HG3 ARG 75 3HG ARG 75 -33.159 -6.325 -11.017 614 HD2 ARG 75 2HD ARG 75 -33.277 -4.736 -9.382 615 HD3 ARG 75 3HD ARG 75 -31.559 -5.124 -9.295 616 HE ARG 75 HE ARG 75 -31.084 -3.014 -10.037 617 HH11 ARG 75 1HH1 ARG 75 -34.432 -3.719 -10.683 618 HH12 ARG 75 2HH1 ARG 75 -34.808 -2.107 -11.194 619 HH21 ARG 75 1HH2 ARG 75 -31.567 -0.888 -10.708 620 HH22 ARG 75 2HH2 ARG 75 -33.178 -0.498 -11.209 621 H ALA 76 H ALA 76 -28.855 -7.317 -12.797 622 HA ALA 76 HA ALA 76 -29.206 -9.037 -15.061 623 HB1 ALA 76 1HB ALA 76 -29.485 -6.085 -15.378 624 HB2 ALA 76 2HB ALA 76 -28.704 -7.021 -16.653 625 HB3 ALA 76 3HB ALA 76 -30.361 -7.393 -16.175 626 H GLY 77 H GLY 77 -27.268 -9.083 -16.453 627 HA2 GLY 77 2HA GLY 77 -24.888 -7.778 -15.410 628 HA3 GLY 77 3HA GLY 77 -24.933 -9.525 -15.227 629 H CYS 78 H CYS 78 -26.024 -7.438 -17.890 630 HA CYS 78 HA CYS 78 -24.776 -9.175 -19.814 631 HB2 CYS 78 2HB CYS 78 -26.137 -6.506 -20.234 632 HB3 CYS 78 3HB CYS 78 -25.732 -7.672 -21.487 633 HG CYS 78 HG CYS 78 -27.458 -9.653 -20.242 Start of MODEL 19 1 H MET 1 H MET 1 1.644 0.200 0.838 2 HA MET 1 HA MET 1 1.801 1.089 -1.732 3 HB2 MET 1 2HB MET 1 3.652 0.389 0.011 4 HB3 MET 1 3HB MET 1 3.660 -1.105 -0.917 5 HG2 MET 1 2HG MET 1 4.776 -0.180 -2.602 6 HG3 MET 1 3HG MET 1 3.761 1.261 -2.598 7 HE1 MET 1 1HE MET 1 7.136 0.699 0.464 8 HE2 MET 1 2HE MET 1 5.802 -0.407 0.137 9 HE3 MET 1 3HE MET 1 7.165 -0.314 -0.979 10 H LEU 2 H LEU 2 2.086 -2.376 -0.923 11 HA LEU 2 HA LEU 2 1.012 -2.994 -3.589 12 HB2 LEU 2 2HB LEU 2 3.184 -3.918 -3.289 13 HB3 LEU 2 3HB LEU 2 2.755 -4.567 -1.708 14 HG LEU 2 HG LEU 2 1.209 -5.573 -4.025 15 HD11 LEU 2 1HD1 LEU 2 4.046 -5.540 -4.093 16 HD12 LEU 2 2HD1 LEU 2 2.924 -6.324 -5.206 17 HD13 LEU 2 3HD1 LEU 2 3.520 -7.197 -3.794 18 HD21 LEU 2 1HD2 LEU 2 0.564 -6.759 -2.224 19 HD22 LEU 2 2HD2 LEU 2 2.055 -6.433 -1.340 20 HD23 LEU 2 3HD2 LEU 2 2.016 -7.700 -2.567 21 H LEU 3 H LEU 3 -0.927 -3.907 -3.770 22 HA LEU 3 HA LEU 3 -2.030 -5.408 -1.509 23 HB2 LEU 3 2HB LEU 3 -4.001 -4.211 -1.384 24 HB3 LEU 3 3HB LEU 3 -2.790 -2.949 -1.599 25 HG LEU 3 HG LEU 3 -4.567 -4.044 -3.779 26 HD11 LEU 3 1HD1 LEU 3 -5.118 -1.356 -3.364 27 HD12 LEU 3 2HD1 LEU 3 -5.012 -2.042 -1.743 28 HD13 LEU 3 3HD1 LEU 3 -6.135 -2.726 -2.918 29 HD21 LEU 3 1HD2 LEU 3 -2.550 -1.807 -3.722 30 HD22 LEU 3 2HD2 LEU 3 -3.736 -2.035 -5.008 31 HD23 LEU 3 3HD2 LEU 3 -2.509 -3.267 -4.710 32 H LYS 4 H LYS 4 -3.569 -6.972 -2.065 33 HA LYS 4 HA LYS 4 -3.706 -7.568 -4.948 34 HB2 LYS 4 2HB LYS 4 -2.435 -9.261 -3.804 35 HB3 LYS 4 3HB LYS 4 -3.674 -9.425 -2.566 36 HG2 LYS 4 2HG LYS 4 -5.231 -10.256 -4.310 37 HG3 LYS 4 3HG LYS 4 -3.895 -10.212 -5.463 38 HD2 LYS 4 2HD LYS 4 -3.729 -11.737 -2.877 39 HD3 LYS 4 3HD LYS 4 -4.396 -12.450 -4.347 40 HE2 LYS 4 2HE LYS 4 -2.354 -12.868 -5.114 41 HE3 LYS 4 3HE LYS 4 -1.911 -11.170 -4.954 42 HZ1 LYS 4 1HZ LYS 4 -1.574 -11.736 -2.502 43 HZ2 LYS 4 2HZ LYS 4 -0.408 -12.279 -3.600 44 HZ3 LYS 4 3HZ LYS 4 -1.567 -13.353 -2.998 45 H VAL 5 H VAL 5 -5.640 -7.119 -5.761 46 HA VAL 5 HA VAL 5 -8.012 -7.415 -4.051 47 HB VAL 5 HB VAL 5 -9.180 -6.009 -5.692 48 HG11 VAL 5 1HG1 VAL 5 -6.603 -4.886 -4.606 49 HG12 VAL 5 2HG1 VAL 5 -7.916 -3.903 -5.260 50 HG13 VAL 5 3HG1 VAL 5 -8.184 -4.892 -3.824 51 HG21 VAL 5 1HG2 VAL 5 -8.382 -5.964 -7.772 52 HG22 VAL 5 2HG2 VAL 5 -7.160 -4.837 -7.184 53 HG23 VAL 5 3HG2 VAL 5 -6.805 -6.563 -7.258 54 H LYS 6 H LYS 6 -9.434 -8.986 -4.422 55 HA LYS 6 HA LYS 6 -9.384 -10.339 -7.038 56 HB2 LYS 6 2HB LYS 6 -10.037 -12.427 -5.692 57 HB3 LYS 6 3HB LYS 6 -8.359 -11.906 -5.626 58 HG2 LYS 6 2HG LYS 6 -8.740 -10.867 -3.468 59 HG3 LYS 6 3HG LYS 6 -10.446 -11.313 -3.537 60 HD2 LYS 6 2HD LYS 6 -8.128 -13.246 -3.522 61 HD3 LYS 6 3HD LYS 6 -9.143 -12.853 -2.132 62 HE2 LYS 6 2HE LYS 6 -10.911 -13.544 -4.188 63 HE3 LYS 6 3HE LYS 6 -9.605 -14.725 -4.274 64 HZ1 LYS 6 1HZ LYS 6 -10.470 -15.752 -2.534 65 HZ2 LYS 6 2HZ LYS 6 -11.720 -14.616 -2.447 66 HZ3 LYS 6 3HZ LYS 6 -10.286 -14.364 -1.585 67 H THR 7 H THR 7 -11.265 -10.212 -8.051 68 HA THR 7 HA THR 7 -13.650 -9.409 -6.606 69 HB THR 7 HB THR 7 -14.684 -9.089 -8.752 70 HG1 THR 7 HG1 THR 7 -13.422 -9.662 -10.672 71 HG21 THR 7 1HG2 THR 7 -12.439 -7.726 -7.915 72 HG22 THR 7 2HG2 THR 7 -13.541 -7.212 -9.193 73 HG23 THR 7 3HG2 THR 7 -12.074 -8.102 -9.598 74 H VAL 8 H VAL 8 -15.762 -10.494 -7.361 75 HA VAL 8 HA VAL 8 -15.674 -13.214 -6.548 76 HB VAL 8 HB VAL 8 -17.606 -11.693 -6.134 77 HG11 VAL 8 1HG1 VAL 8 -18.172 -12.146 -9.062 78 HG12 VAL 8 2HG1 VAL 8 -19.233 -11.327 -7.914 79 HG13 VAL 8 3HG1 VAL 8 -17.672 -10.621 -8.332 80 HG21 VAL 8 1HG2 VAL 8 -17.581 -14.393 -6.552 81 HG22 VAL 8 2HG2 VAL 8 -18.934 -13.482 -5.882 82 HG23 VAL 8 3HG2 VAL 8 -18.897 -13.868 -7.602 83 H SER 9 H SER 9 -15.085 -11.756 -9.510 84 HA SER 9 HA SER 9 -16.086 -13.938 -11.141 85 HB2 SER 9 2HB SER 9 -14.855 -11.273 -11.665 86 HB3 SER 9 3HB SER 9 -14.697 -12.510 -12.911 87 HG SER 9 HG SER 9 -16.588 -11.277 -13.205 88 H ASN 10 H ASN 10 -13.726 -13.966 -9.090 89 HA ASN 10 HA ASN 10 -11.836 -15.209 -8.834 90 HB2 ASN 10 2HB ASN 10 -13.293 -16.563 -10.788 91 HB3 ASN 10 3HB ASN 10 -11.679 -16.412 -11.475 92 HD21 ASN 10 1HD2 ASN 10 -13.199 -17.171 -8.358 93 HD22 ASN 10 2HD2 ASN 10 -12.158 -18.498 -7.983 94 H LYS 11 H LYS 11 -11.805 -12.536 -10.006 95 HA LYS 11 HA LYS 11 -9.386 -12.690 -11.674 96 HB2 LYS 11 2HB LYS 11 -11.419 -10.480 -11.335 97 HB3 LYS 11 3HB LYS 11 -9.925 -10.304 -12.247 98 HG2 LYS 11 2HG LYS 11 -10.643 -12.091 -13.759 99 HG3 LYS 11 3HG LYS 11 -12.150 -12.242 -12.851 100 HD2 LYS 11 2HD LYS 11 -13.055 -10.602 -14.048 101 HD3 LYS 11 3HD LYS 11 -11.771 -9.502 -13.541 102 HE2 LYS 11 2HE LYS 11 -10.551 -9.831 -15.445 103 HE3 LYS 11 3HE LYS 11 -11.159 -11.468 -15.683 104 HZ1 LYS 11 1HZ LYS 11 -11.996 -9.187 -16.977 105 HZ2 LYS 11 2HZ LYS 11 -13.252 -9.564 -15.909 106 HZ3 LYS 11 3HZ LYS 11 -12.726 -10.712 -17.035 107 H VAL 12 H VAL 12 -7.663 -12.670 -10.354 108 HA VAL 12 HA VAL 12 -7.616 -10.743 -8.133 109 HB VAL 12 HB VAL 12 -5.700 -13.030 -8.586 110 HG11 VAL 12 1HG1 VAL 12 -5.609 -12.630 -5.977 111 HG12 VAL 12 2HG1 VAL 12 -4.625 -11.678 -7.090 112 HG13 VAL 12 3HG1 VAL 12 -6.125 -11.010 -6.446 113 HG21 VAL 12 1HG2 VAL 12 -7.224 -13.798 -6.476 114 HG22 VAL 12 2HG2 VAL 12 -8.426 -13.002 -7.491 115 HG23 VAL 12 3HG2 VAL 12 -7.474 -14.339 -8.136 116 H ILE 13 H ILE 13 -6.398 -8.982 -8.289 117 HA ILE 13 HA ILE 13 -4.193 -8.966 -10.244 118 HB ILE 13 HB ILE 13 -6.096 -6.714 -9.596 119 HG12 ILE 13 2HG1 ILE 13 -6.999 -8.371 -11.159 120 HG13 ILE 13 3HG1 ILE 13 -6.664 -6.854 -11.986 121 HG21 ILE 13 1HG2 ILE 13 -3.551 -6.750 -11.197 122 HG22 ILE 13 2HG2 ILE 13 -4.782 -5.501 -11.382 123 HG23 ILE 13 3HG2 ILE 13 -3.968 -5.714 -9.832 124 HD11 ILE 13 1HD1 ILE 13 -5.441 -7.947 -13.461 125 HD12 ILE 13 2HD1 ILE 13 -4.347 -8.462 -12.175 126 HD13 ILE 13 3HD1 ILE 13 -5.738 -9.459 -12.602 127 H GLN 14 H GLN 14 -2.306 -8.805 -9.244 128 HA GLN 14 HA GLN 14 -2.174 -7.437 -6.651 129 HB2 GLN 14 2HB GLN 14 0.096 -8.578 -6.523 130 HB3 GLN 14 3HB GLN 14 -1.314 -9.627 -6.455 131 HG2 GLN 14 2HG GLN 14 -0.538 -10.792 -8.159 132 HG3 GLN 14 3HG GLN 14 -0.576 -9.351 -9.173 133 HE21 GLN 14 1HE2 GLN 14 1.350 -7.793 -8.121 134 HE22 GLN 14 2HE2 GLN 14 2.892 -8.560 -8.250 135 H ILE 15 H ILE 15 -1.482 -5.413 -6.664 136 HA ILE 15 HA ILE 15 0.517 -4.623 -8.682 137 HB ILE 15 HB ILE 15 -0.419 -2.310 -8.489 138 HG12 ILE 15 2HG1 ILE 15 -2.663 -3.743 -7.051 139 HG13 ILE 15 3HG1 ILE 15 -1.554 -2.582 -6.329 140 HG21 ILE 15 1HG2 ILE 15 -1.171 -4.361 -10.095 141 HG22 ILE 15 2HG2 ILE 15 -2.724 -3.866 -9.424 142 HG23 ILE 15 3HG2 ILE 15 -1.720 -2.696 -10.279 143 HD11 ILE 15 1HD1 ILE 15 -2.552 -1.143 -8.396 144 HD12 ILE 15 2HD1 ILE 15 -3.936 -2.149 -7.966 145 HD13 ILE 15 3HD1 ILE 15 -3.184 -1.117 -6.750 146 H THR 16 H THR 16 2.075 -3.058 -8.046 147 HA THR 16 HA THR 16 2.428 -2.841 -5.126 148 HB THR 16 HB THR 16 4.100 -4.357 -5.965 149 HG1 THR 16 HG1 THR 16 4.946 -2.991 -4.426 150 HG21 THR 16 1HG2 THR 16 4.764 -4.203 -8.088 151 HG22 THR 16 2HG2 THR 16 5.734 -2.803 -7.631 152 HG23 THR 16 3HG2 THR 16 4.091 -2.580 -8.231 153 H SER 17 H SER 17 1.037 -0.850 -5.969 154 HA SER 17 HA SER 17 2.674 1.434 -5.632 155 HB2 SER 17 2HB SER 17 3.308 1.227 -7.915 156 HB3 SER 17 3HB SER 17 1.656 0.865 -8.417 157 HG SER 17 HG SER 17 2.078 3.000 -8.901 158 H LEU 18 H LEU 18 1.074 1.611 -3.974 159 HA LEU 18 HA LEU 18 -1.591 2.424 -4.912 160 HB2 LEU 18 2HB LEU 18 -0.684 0.824 -2.724 161 HB3 LEU 18 3HB LEU 18 -1.535 2.233 -2.095 162 HG LEU 18 HG LEU 18 -2.635 0.170 -4.002 163 HD11 LEU 18 1HD1 LEU 18 -2.773 -0.862 -1.968 164 HD12 LEU 18 2HD1 LEU 18 -4.278 0.056 -1.951 165 HD13 LEU 18 3HD1 LEU 18 -2.870 0.657 -1.077 166 HD21 LEU 18 1HD2 LEU 18 -3.724 2.087 -4.681 167 HD22 LEU 18 2HD2 LEU 18 -3.667 2.817 -3.076 168 HD23 LEU 18 3HD2 LEU 18 -4.793 1.499 -3.407 169 H THR 19 H THR 19 -2.575 4.302 -4.026 170 HA THR 19 HA THR 19 -0.708 6.458 -3.615 171 HB THR 19 HB THR 19 -3.573 7.018 -3.202 172 HG1 THR 19 HG1 THR 19 -4.250 6.089 -4.970 173 HG21 THR 19 1HG2 THR 19 -2.391 8.953 -3.511 174 HG22 THR 19 2HG2 THR 19 -2.839 8.620 -5.184 175 HG23 THR 19 3HG2 THR 19 -1.229 8.197 -4.601 176 H ASP 20 H ASP 20 -1.550 8.173 -1.895 177 HA ASP 20 HA ASP 20 -1.949 6.744 0.651 178 HB2 ASP 20 2HB ASP 20 -0.582 8.885 1.498 179 HB3 ASP 20 3HB ASP 20 0.212 7.394 0.999 180 H ASP 21 H ASP 21 -3.277 8.858 -1.473 181 HA ASP 21 HA ASP 21 -4.450 10.637 0.521 182 HB2 ASP 21 2HB ASP 21 -4.855 10.582 -2.477 183 HB3 ASP 21 3HB ASP 21 -5.386 11.849 -1.374 184 H ASN 22 H ASN 22 -5.505 8.297 -1.939 185 HA ASN 22 HA ASN 22 -8.045 8.039 -0.467 186 HB2 ASN 22 2HB ASN 22 -7.464 8.235 -3.370 187 HB3 ASN 22 3HB ASN 22 -8.709 7.083 -2.896 188 HD21 ASN 22 1HD2 ASN 22 -7.836 10.221 -1.519 189 HD22 ASN 22 2HD2 ASN 22 -9.382 10.953 -1.762 190 H THR 23 H THR 23 -5.813 6.280 -2.614 191 HA THR 23 HA THR 23 -5.125 4.110 -2.645 192 HB THR 23 HB THR 23 -6.147 4.101 0.201 193 HG1 THR 23 HG1 THR 23 -4.428 5.388 0.282 194 HG21 THR 23 1HG2 THR 23 -4.076 2.220 -0.179 195 HG22 THR 23 2HG2 THR 23 -5.256 1.948 -1.462 196 HG23 THR 23 3HG2 THR 23 -5.763 1.907 0.227 197 H ILE 24 H ILE 24 -7.746 3.453 -0.388 198 HA ILE 24 HA ILE 24 -8.796 1.333 -1.888 199 HB ILE 24 HB ILE 24 -10.157 2.996 0.234 200 HG12 ILE 24 2HG1 ILE 24 -9.577 0.625 1.401 201 HG13 ILE 24 3HG1 ILE 24 -8.228 0.750 0.277 202 HG21 ILE 24 1HG2 ILE 24 -11.798 1.808 -1.089 203 HG22 ILE 24 2HG2 ILE 24 -10.893 0.306 -0.910 204 HG23 ILE 24 3HG2 ILE 24 -11.649 1.052 0.497 205 HD11 ILE 24 1HD1 ILE 24 -8.196 1.762 2.751 206 HD12 ILE 24 2HD1 ILE 24 -7.272 2.443 1.411 207 HD13 ILE 24 3HD1 ILE 24 -8.818 3.157 1.869 208 H ALA 25 H ALA 25 -10.323 4.506 -1.290 209 HA ALA 25 HA ALA 25 -12.401 4.266 -3.102 210 HB1 ALA 25 1HB ALA 25 -11.561 6.198 -1.373 211 HB2 ALA 25 2HB ALA 25 -11.287 6.968 -2.936 212 HB3 ALA 25 3HB ALA 25 -12.893 6.372 -2.516 213 H GLU 26 H GLU 26 -9.071 5.278 -3.642 214 HA GLU 26 HA GLU 26 -9.444 6.169 -6.312 215 HB2 GLU 26 2HB GLU 26 -7.498 6.712 -4.766 216 HB3 GLU 26 3HB GLU 26 -6.872 5.113 -5.143 217 HG2 GLU 26 2HG GLU 26 -5.810 6.082 -6.831 218 HG3 GLU 26 3HG GLU 26 -7.381 6.175 -7.624 219 H LEU 27 H LEU 27 -8.470 3.085 -4.886 220 HA LEU 27 HA LEU 27 -7.869 1.782 -7.324 221 HB2 LEU 27 2HB LEU 27 -7.956 1.131 -4.542 222 HB3 LEU 27 3HB LEU 27 -8.784 -0.128 -5.457 223 HG LEU 27 HG LEU 27 -6.367 -0.569 -5.005 224 HD11 LEU 27 1HD1 LEU 27 -6.298 -1.820 -6.854 225 HD12 LEU 27 2HD1 LEU 27 -6.417 -0.421 -7.920 226 HD13 LEU 27 3HD1 LEU 27 -7.876 -1.120 -7.218 227 HD21 LEU 27 1HD2 LEU 27 -5.802 1.920 -5.430 228 HD22 LEU 27 2HD2 LEU 27 -5.748 1.448 -7.129 229 HD23 LEU 27 3HD2 LEU 27 -4.666 0.681 -5.965 230 H LYS 28 H LYS 28 -10.768 1.717 -5.260 231 HA LYS 28 HA LYS 28 -12.281 0.044 -6.963 232 HB2 LYS 28 2HB LYS 28 -14.202 0.725 -5.627 233 HB3 LYS 28 3HB LYS 28 -12.824 0.387 -4.588 234 HG2 LYS 28 2HG LYS 28 -12.375 2.839 -4.510 235 HG3 LYS 28 3HG LYS 28 -13.890 3.086 -5.382 236 HD2 LYS 28 2HD LYS 28 -13.590 1.733 -2.700 237 HD3 LYS 28 3HD LYS 28 -14.196 3.369 -2.972 238 HE2 LYS 28 2HE LYS 28 -15.451 0.779 -3.870 239 HE3 LYS 28 3HE LYS 28 -16.065 1.897 -2.653 240 HZ1 LYS 28 1HZ LYS 28 -15.857 2.360 -5.575 241 HZ2 LYS 28 2HZ LYS 28 -16.223 3.580 -4.463 242 HZ3 LYS 28 3HZ LYS 28 -17.269 2.264 -4.647 243 H GLY 29 H GLY 29 -11.976 3.556 -6.701 244 HA2 GLY 29 2HA GLY 29 -14.045 4.185 -8.538 245 HA3 GLY 29 3HA GLY 29 -12.743 5.257 -8.043 246 H LYS 30 H LYS 30 -10.630 3.471 -8.933 247 HA LYS 30 HA LYS 30 -10.501 4.332 -11.657 248 HB2 LYS 30 2HB LYS 30 -8.698 2.843 -9.798 249 HB3 LYS 30 3HB LYS 30 -8.374 2.766 -11.525 250 HG2 LYS 30 2HG LYS 30 -8.852 5.482 -10.710 251 HG3 LYS 30 3HG LYS 30 -7.577 4.748 -9.734 252 HD2 LYS 30 2HD LYS 30 -7.616 4.551 -12.734 253 HD3 LYS 30 3HD LYS 30 -6.868 5.908 -11.891 254 HE2 LYS 30 2HE LYS 30 -5.089 4.690 -11.276 255 HE3 LYS 30 3HE LYS 30 -6.077 3.294 -10.851 256 HZ1 LYS 30 1HZ LYS 30 -4.823 2.558 -12.634 257 HZ2 LYS 30 2HZ LYS 30 -4.944 4.020 -13.475 258 HZ3 LYS 30 3HZ LYS 30 -6.283 2.992 -13.372 259 H LEU 31 H LEU 31 -11.212 1.320 -10.020 260 HA LEU 31 HA LEU 31 -11.007 -0.364 -12.296 261 HB2 LEU 31 2HB LEU 31 -11.091 -0.933 -9.756 262 HB3 LEU 31 3HB LEU 31 -12.836 -0.943 -10.003 263 HG LEU 31 HG LEU 31 -11.163 -2.602 -11.818 264 HD11 LEU 31 1HD1 LEU 31 -11.074 -4.426 -10.239 265 HD12 LEU 31 2HD1 LEU 31 -11.850 -3.436 -9.004 266 HD13 LEU 31 3HD1 LEU 31 -10.233 -3.025 -9.574 267 HD21 LEU 31 1HD2 LEU 31 -13.134 -3.502 -12.318 268 HD22 LEU 31 2HD2 LEU 31 -13.877 -2.224 -11.355 269 HD23 LEU 31 3HD2 LEU 31 -13.512 -3.785 -10.618 270 H GLU 32 H GLU 32 -13.713 1.325 -10.754 271 HA GLU 32 HA GLU 32 -15.714 0.292 -12.475 272 HB2 GLU 32 2HB GLU 32 -17.101 2.162 -11.606 273 HB3 GLU 32 3HB GLU 32 -16.333 1.217 -10.337 274 HG2 GLU 32 2HG GLU 32 -14.592 2.941 -10.136 275 HG3 GLU 32 3HG GLU 32 -15.425 3.898 -11.360 276 H GLU 33 H GLU 33 -13.744 3.227 -12.536 277 HA GLU 33 HA GLU 33 -15.026 4.401 -14.776 278 HB2 GLU 33 2HB GLU 33 -13.325 5.368 -12.976 279 HB3 GLU 33 3HB GLU 33 -12.152 4.957 -14.219 280 HG2 GLU 33 2HG GLU 33 -12.614 7.113 -14.784 281 HG3 GLU 33 3HG GLU 33 -13.801 6.266 -15.775 282 H SER 34 H SER 34 -12.366 2.146 -14.411 283 HA SER 34 HA SER 34 -11.352 2.294 -17.034 284 HB2 SER 34 2HB SER 34 -10.132 0.324 -16.525 285 HB3 SER 34 3HB SER 34 -10.281 1.185 -14.993 286 HG SER 34 HG SER 34 -10.778 -1.032 -14.769 287 H GLU 35 H GLU 35 -13.798 0.185 -15.569 288 HA GLU 35 HA GLU 35 -14.317 -1.168 -18.064 289 HB2 GLU 35 2HB GLU 35 -15.490 -1.309 -15.304 290 HB3 GLU 35 3HB GLU 35 -16.295 -2.092 -16.656 291 HG2 GLU 35 2HG GLU 35 -13.405 -2.625 -16.178 292 HG3 GLU 35 3HG GLU 35 -14.613 -3.408 -15.160 293 H GLY 36 H GLY 36 -15.132 1.807 -16.872 294 HA2 GLY 36 2HA GLY 36 -16.468 3.371 -18.014 295 HA3 GLY 36 3HA GLY 36 -17.320 2.043 -18.790 296 H ILE 37 H ILE 37 -18.110 0.546 -16.616 297 HA ILE 37 HA ILE 37 -19.644 2.379 -14.920 298 HB ILE 37 HB ILE 37 -21.651 0.852 -15.236 299 HG12 ILE 37 2HG1 ILE 37 -20.584 0.183 -17.933 300 HG13 ILE 37 3HG1 ILE 37 -20.001 -0.772 -16.574 301 HG21 ILE 37 1HG2 ILE 37 -22.485 2.128 -17.048 302 HG22 ILE 37 2HG2 ILE 37 -21.344 3.163 -16.193 303 HG23 ILE 37 3HG2 ILE 37 -20.868 2.386 -17.702 304 HD11 ILE 37 1HD1 ILE 37 -21.836 -1.993 -16.643 305 HD12 ILE 37 2HD1 ILE 37 -22.822 -0.557 -16.366 306 HD13 ILE 37 3HD1 ILE 37 -22.413 -1.042 -18.011 307 HA PRO 38 HA PRO 38 -18.716 -0.432 -11.678 308 HB2 PRO 38 2HB PRO 38 -20.902 -0.153 -10.093 309 HB3 PRO 38 3HB PRO 38 -19.659 1.095 -10.244 310 HG2 PRO 38 2HG PRO 38 -22.327 0.906 -11.589 311 HG3 PRO 38 3HG PRO 38 -21.538 2.318 -10.861 312 HD2 PRO 38 2HD PRO 38 -21.552 1.874 -13.532 313 HD3 PRO 38 3HD PRO 38 -20.204 2.682 -12.705 314 H GLY 39 H GLY 39 -18.915 -2.568 -11.272 315 HA2 GLY 39 2HA GLY 39 -20.416 -4.261 -12.858 316 HA3 GLY 39 3HA GLY 39 -19.749 -4.709 -11.295 317 H ASN 40 H ASN 40 -21.202 -3.097 -9.594 318 HA ASN 40 HA ASN 40 -23.940 -2.948 -9.973 319 HB2 ASN 40 2HB ASN 40 -23.040 -5.656 -9.655 320 HB3 ASN 40 3HB ASN 40 -24.024 -5.205 -8.266 321 HD21 ASN 40 1HD2 ASN 40 -26.131 -4.204 -8.760 322 HD22 ASN 40 2HD2 ASN 40 -27.001 -4.782 -10.136 323 H MET 41 H MET 41 -22.191 -4.551 -7.318 324 HA MET 41 HA MET 41 -23.078 -2.391 -5.539 325 HB2 MET 41 2HB MET 41 -22.487 -5.281 -5.166 326 HB3 MET 41 3HB MET 41 -22.137 -4.208 -3.817 327 HG2 MET 41 2HG MET 41 -24.549 -3.348 -4.199 328 HG3 MET 41 3HG MET 41 -24.760 -4.859 -5.082 329 HE1 MET 41 1HE MET 41 -26.215 -3.799 -1.999 330 HE2 MET 41 2HE MET 41 -25.081 -4.182 -0.703 331 HE3 MET 41 3HE MET 41 -24.643 -3.002 -1.940 332 H ILE 42 H ILE 42 -20.230 -4.174 -6.595 333 HA ILE 42 HA ILE 42 -17.995 -3.834 -6.279 334 HB ILE 42 HB ILE 42 -18.723 -0.911 -6.151 335 HG12 ILE 42 2HG1 ILE 42 -19.900 -1.901 -8.038 336 HG13 ILE 42 3HG1 ILE 42 -18.554 -0.929 -8.622 337 HG21 ILE 42 1HG2 ILE 42 -16.491 -0.810 -5.921 338 HG22 ILE 42 2HG2 ILE 42 -16.253 -2.452 -6.517 339 HG23 ILE 42 3HG2 ILE 42 -16.476 -1.125 -7.656 340 HD11 ILE 42 1HD1 ILE 42 -19.144 -3.609 -9.210 341 HD12 ILE 42 2HD1 ILE 42 -17.745 -2.664 -9.720 342 HD13 ILE 42 3HD1 ILE 42 -17.674 -3.614 -8.236 343 H ARG 43 H ARG 43 -18.867 -4.674 -3.975 344 HA ARG 43 HA ARG 43 -17.784 -2.807 -1.968 345 HB2 ARG 43 2HB ARG 43 -19.946 -4.896 -1.679 346 HB3 ARG 43 3HB ARG 43 -19.204 -4.065 -0.318 347 HG2 ARG 43 2HG ARG 43 -20.264 -2.321 -2.435 348 HG3 ARG 43 3HG ARG 43 -21.463 -3.256 -1.540 349 HD2 ARG 43 2HD ARG 43 -21.345 -1.439 -0.177 350 HD3 ARG 43 3HD ARG 43 -20.036 -2.392 0.523 351 HE ARG 43 HE ARG 43 -19.049 -0.729 -1.540 352 HH11 ARG 43 1HH1 ARG 43 -20.213 -0.625 1.739 353 HH12 ARG 43 2HH1 ARG 43 -19.292 0.781 2.159 354 HH21 ARG 43 1HH2 ARG 43 -17.832 1.123 -0.999 355 HH22 ARG 43 2HH2 ARG 43 -17.939 1.775 0.601 356 H LEU 44 H LEU 44 -15.864 -3.414 -1.242 357 HA LEU 44 HA LEU 44 -15.165 -6.268 -1.282 358 HB2 LEU 44 2HB LEU 44 -12.830 -5.500 -1.147 359 HB3 LEU 44 3HB LEU 44 -13.672 -4.906 -2.577 360 HG LEU 44 HG LEU 44 -13.557 -3.133 -0.192 361 HD11 LEU 44 1HD1 LEU 44 -11.210 -4.054 -1.740 362 HD12 LEU 44 2HD1 LEU 44 -11.320 -3.473 -0.079 363 HD13 LEU 44 3HD1 LEU 44 -11.333 -2.324 -1.418 364 HD21 LEU 44 1HD2 LEU 44 -12.913 -1.803 -2.562 365 HD22 LEU 44 2HD2 LEU 44 -14.460 -1.793 -1.716 366 HD23 LEU 44 3HD2 LEU 44 -14.165 -2.964 -3.002 367 H VAL 45 H VAL 45 -13.955 -7.146 0.506 368 HA VAL 45 HA VAL 45 -14.532 -5.773 3.052 369 HB VAL 45 HB VAL 45 -14.425 -8.748 2.530 370 HG11 VAL 45 1HG1 VAL 45 -14.073 -7.249 4.935 371 HG12 VAL 45 2HG1 VAL 45 -15.584 -8.156 5.032 372 HG13 VAL 45 3HG1 VAL 45 -14.068 -8.997 4.706 373 HG21 VAL 45 1HG2 VAL 45 -16.638 -6.776 2.752 374 HG22 VAL 45 2HG2 VAL 45 -16.492 -8.200 1.723 375 HG23 VAL 45 3HG2 VAL 45 -16.883 -8.384 3.433 376 H TYR 46 H TYR 46 -12.805 -5.176 4.169 377 HA TYR 46 HA TYR 46 -10.218 -6.407 3.543 378 HB2 TYR 46 2HB TYR 46 -10.936 -3.758 3.747 379 HB3 TYR 46 3HB TYR 46 -10.201 -4.072 5.315 380 HD1 TYR 46 HD1 TYR 46 -8.086 -5.995 4.613 381 HD2 TYR 46 HD2 TYR 46 -9.371 -2.478 2.592 382 HE1 TYR 46 HE1 TYR 46 -5.851 -5.760 3.615 383 HE2 TYR 46 HE2 TYR 46 -7.139 -2.234 1.587 384 HH TYR 46 HH TYR 46 -4.513 -3.456 2.623 385 H GLN 47 H GLN 47 -9.562 -7.959 4.863 386 HA GLN 47 HA GLN 47 -9.236 -9.235 6.719 387 HB2 GLN 47 2HB GLN 47 -8.408 -6.687 7.322 388 HB3 GLN 47 3HB GLN 47 -9.509 -7.042 8.646 389 HG2 GLN 47 2HG GLN 47 -7.535 -7.796 9.508 390 HG3 GLN 47 3HG GLN 47 -8.166 -9.273 8.783 391 HE21 GLN 47 1HE2 GLN 47 -5.723 -6.851 8.679 392 HE22 GLN 47 2HE2 GLN 47 -4.747 -7.579 7.454 393 H GLY 48 H GLY 48 -11.944 -8.910 5.825 394 HA2 GLY 48 2HA GLY 48 -13.975 -9.741 6.558 395 HA3 GLY 48 3HA GLY 48 -13.284 -9.907 8.166 396 H LYS 49 H LYS 49 -12.762 -6.815 6.999 397 HA LYS 49 HA LYS 49 -15.136 -5.812 8.430 398 HB2 LYS 49 2HB LYS 49 -12.371 -5.298 8.864 399 HB3 LYS 49 3HB LYS 49 -13.102 -3.814 8.267 400 HG2 LYS 49 2HG LYS 49 -13.655 -3.446 10.393 401 HG3 LYS 49 3HG LYS 49 -14.924 -4.644 10.128 402 HD2 LYS 49 2HD LYS 49 -12.150 -5.283 11.128 403 HD3 LYS 49 3HD LYS 49 -13.561 -5.064 12.165 404 HE2 LYS 49 2HE LYS 49 -13.263 -7.141 9.997 405 HE3 LYS 49 3HE LYS 49 -13.119 -7.431 11.730 406 HZ1 LYS 49 1HZ LYS 49 -15.282 -7.949 11.523 407 HZ2 LYS 49 2HZ LYS 49 -15.493 -7.048 10.108 408 HZ3 LYS 49 3HZ LYS 49 -15.513 -6.276 11.613 409 H GLN 50 H GLN 50 -15.865 -3.636 7.733 410 HA GLN 50 HA GLN 50 -15.488 -3.286 4.831 411 HB2 GLN 50 2HB GLN 50 -17.961 -2.739 6.482 412 HB3 GLN 50 3HB GLN 50 -17.796 -2.413 4.762 413 HG2 GLN 50 2HG GLN 50 -17.664 -4.718 4.243 414 HG3 GLN 50 3HG GLN 50 -17.481 -5.156 5.941 415 HE21 GLN 50 1HE2 GLN 50 -19.241 -5.654 7.062 416 HE22 GLN 50 2HE2 GLN 50 -20.868 -5.414 6.533 417 H LEU 51 H LEU 51 -16.170 -0.995 4.130 418 HA LEU 51 HA LEU 51 -15.757 1.241 4.142 419 HB2 LEU 51 2HB LEU 51 -15.672 1.228 7.129 420 HB3 LEU 51 3HB LEU 51 -16.282 2.470 6.037 421 HG LEU 51 HG LEU 51 -17.629 -0.171 6.602 422 HD11 LEU 51 1HD1 LEU 51 -17.904 2.552 7.777 423 HD12 LEU 51 2HD1 LEU 51 -17.982 0.973 8.556 424 HD13 LEU 51 3HD1 LEU 51 -19.341 1.547 7.590 425 HD21 LEU 51 1HD2 LEU 51 -18.178 2.081 4.740 426 HD22 LEU 51 2HD2 LEU 51 -19.547 1.289 5.523 427 HD23 LEU 51 3HD2 LEU 51 -18.433 0.348 4.529 428 H GLU 52 H GLU 52 -13.698 1.173 3.292 429 HA GLU 52 HA GLU 52 -11.507 1.367 5.253 430 HB2 GLU 52 2HB GLU 52 -11.279 0.320 2.428 431 HB3 GLU 52 3HB GLU 52 -10.015 0.346 3.650 432 HG2 GLU 52 2HG GLU 52 -12.568 -1.172 4.049 433 HG3 GLU 52 3HG GLU 52 -11.186 -1.868 3.203 434 H ASP 53 H ASP 53 -13.307 3.007 3.001 435 HA ASP 53 HA ASP 53 -11.492 4.540 1.562 436 HB2 ASP 53 2HB ASP 53 -14.078 4.456 1.432 437 HB3 ASP 53 3HB ASP 53 -14.032 5.715 2.663 438 H GLU 54 H GLU 54 -12.599 4.868 4.878 439 HA GLU 54 HA GLU 54 -11.469 7.444 5.320 440 HB2 GLU 54 2HB GLU 54 -13.152 5.743 6.725 441 HB3 GLU 54 3HB GLU 54 -11.690 5.779 7.701 442 HG2 GLU 54 2HG GLU 54 -12.920 7.516 8.576 443 HG3 GLU 54 3HG GLU 54 -11.855 8.341 7.439 444 H LYS 55 H LYS 55 -10.168 4.289 5.157 445 HA LYS 55 HA LYS 55 -7.746 5.078 6.610 446 HB2 LYS 55 2HB LYS 55 -8.738 2.392 5.652 447 HB3 LYS 55 3HB LYS 55 -7.144 2.640 6.354 448 HG2 LYS 55 2HG LYS 55 -8.061 2.248 8.331 449 HG3 LYS 55 3HG LYS 55 -8.892 3.797 8.175 450 HD2 LYS 55 2HD LYS 55 -10.759 2.645 7.041 451 HD3 LYS 55 3HD LYS 55 -9.934 1.105 7.293 452 HE2 LYS 55 2HE LYS 55 -10.339 2.808 9.679 453 HE3 LYS 55 3HE LYS 55 -11.781 2.078 8.975 454 HZ1 LYS 55 1HZ LYS 55 -11.250 0.210 10.008 455 HZ2 LYS 55 2HZ LYS 55 -9.805 0.875 10.583 456 HZ3 LYS 55 3HZ LYS 55 -9.838 0.097 9.082 457 H ARG 56 H ARG 56 -8.328 6.219 4.044 458 HA ARG 56 HA ARG 56 -7.159 5.049 1.851 459 HB2 ARG 56 2HB ARG 56 -6.469 7.514 1.298 460 HB3 ARG 56 3HB ARG 56 -8.169 7.068 1.371 461 HG2 ARG 56 2HG ARG 56 -7.292 7.859 3.971 462 HG3 ARG 56 3HG ARG 56 -6.843 9.095 2.795 463 HD2 ARG 56 2HD ARG 56 -9.419 8.385 2.072 464 HD3 ARG 56 3HD ARG 56 -9.456 8.372 3.834 465 HE ARG 56 HE ARG 56 -8.211 10.715 2.743 466 HH11 ARG 56 1HH1 ARG 56 -11.244 9.240 3.606 467 HH12 ARG 56 2HH1 ARG 56 -12.066 10.750 3.822 468 HH21 ARG 56 1HH2 ARG 56 -9.282 12.709 3.023 469 HH22 ARG 56 2HH2 ARG 56 -10.949 12.723 3.489 470 H LEU 57 H LEU 57 -5.452 7.443 3.873 471 HA LEU 57 HA LEU 57 -2.896 6.673 2.893 472 HB2 LEU 57 2HB LEU 57 -3.735 8.903 3.980 473 HB3 LEU 57 3HB LEU 57 -3.246 8.119 5.480 474 HG LEU 57 HG LEU 57 -1.285 8.260 3.242 475 HD11 LEU 57 1HD1 LEU 57 -0.886 10.517 4.888 476 HD12 LEU 57 2HD1 LEU 57 -2.558 10.565 4.332 477 HD13 LEU 57 3HD1 LEU 57 -1.243 10.473 3.161 478 HD21 LEU 57 1HD2 LEU 57 0.284 8.449 5.110 479 HD22 LEU 57 2HD2 LEU 57 -0.743 7.024 5.270 480 HD23 LEU 57 3HD2 LEU 57 -1.066 8.459 6.244 481 H LYS 58 H LYS 58 -4.792 5.838 5.726 482 HA LYS 58 HA LYS 58 -2.819 4.614 7.272 483 HB2 LYS 58 2HB LYS 58 -5.667 4.815 7.286 484 HB3 LYS 58 3HB LYS 58 -5.232 3.132 7.552 485 HG2 LYS 58 2HG LYS 58 -3.554 4.807 9.149 486 HG3 LYS 58 3HG LYS 58 -5.245 5.236 9.413 487 HD2 LYS 58 2HD LYS 58 -5.710 2.790 9.748 488 HD3 LYS 58 3HD LYS 58 -3.965 2.524 9.719 489 HE2 LYS 58 2HE LYS 58 -4.055 4.470 11.539 490 HE3 LYS 58 3HE LYS 58 -5.668 3.803 11.783 491 HZ1 LYS 58 1HZ LYS 58 -4.749 1.680 12.264 492 HZ2 LYS 58 2HZ LYS 58 -3.913 2.808 13.208 493 HZ3 LYS 58 3HZ LYS 58 -3.192 2.169 11.817 494 H ASP 59 H ASP 59 -4.431 3.540 4.398 495 HA ASP 59 HA ASP 59 -3.650 0.775 4.714 496 HB2 ASP 59 2HB ASP 59 -5.246 2.347 2.787 497 HB3 ASP 59 3HB ASP 59 -4.386 0.968 2.109 498 H TYR 60 H TYR 60 -2.187 3.623 3.618 499 HA TYR 60 HA TYR 60 -0.480 2.461 1.630 500 HB2 TYR 60 2HB TYR 60 -1.067 4.851 1.593 501 HB3 TYR 60 3HB TYR 60 -0.224 5.082 3.121 502 HD1 TYR 60 HD1 TYR 60 1.910 5.942 3.017 503 HD2 TYR 60 HD2 TYR 60 0.460 3.677 -0.279 504 HE1 TYR 60 HE1 TYR 60 4.002 6.384 1.802 505 HE2 TYR 60 HE2 TYR 60 2.548 4.111 -1.504 506 HH TYR 60 HH TYR 60 5.006 6.287 -0.231 507 H GLN 61 H GLN 61 -0.432 2.733 5.060 508 HA GLN 61 HA GLN 61 2.425 2.307 5.289 509 HB2 GLN 61 2HB GLN 61 0.176 2.647 7.245 510 HB3 GLN 61 3HB GLN 61 1.730 2.024 7.784 511 HG2 GLN 61 2HG GLN 61 1.927 4.279 8.194 512 HG3 GLN 61 3HG GLN 61 2.706 4.112 6.622 513 HE21 GLN 61 1HE2 GLN 61 -0.689 4.315 7.626 514 HE22 GLN 61 2HE2 GLN 61 -1.084 5.664 6.622 515 H MET 62 H MET 62 -0.284 0.394 4.768 516 HA MET 62 HA MET 62 0.613 -1.928 6.224 517 HB2 MET 62 2HB MET 62 -1.463 -1.894 4.042 518 HB3 MET 62 3HB MET 62 -1.315 -3.022 5.383 519 HG2 MET 62 2HG MET 62 -1.917 -0.103 5.756 520 HG3 MET 62 3HG MET 62 -3.165 -1.331 5.553 521 HE1 MET 62 1HE MET 62 -4.032 -2.649 6.908 522 HE2 MET 62 2HE MET 62 -3.230 -3.525 8.212 523 HE3 MET 62 3HE MET 62 -4.202 -2.099 8.575 524 H SER 63 H SER 63 0.142 -1.235 2.753 525 HA SER 63 HA SER 63 1.092 -2.140 0.888 526 HB2 SER 63 2HB SER 63 3.604 -2.408 2.538 527 HB3 SER 63 3HB SER 63 3.464 -2.086 0.810 528 HG SER 63 HG SER 63 3.586 -0.338 2.813 529 H ALA 64 H ALA 64 -0.226 -3.988 2.642 530 HA ALA 64 HA ALA 64 0.524 -6.418 1.474 531 HB1 ALA 64 1HB ALA 64 2.454 -6.555 2.776 532 HB2 ALA 64 2HB ALA 64 1.646 -5.918 4.209 533 HB3 ALA 64 3HB ALA 64 1.286 -7.550 3.647 534 H GLY 65 H GLY 65 -1.880 -5.221 1.704 535 HA2 GLY 65 2HA GLY 65 -3.284 -6.864 3.721 536 HA3 GLY 65 3HA GLY 65 -3.822 -5.259 3.251 537 H ALA 66 H ALA 66 -4.261 -8.522 2.769 538 HA ALA 66 HA ALA 66 -4.878 -8.686 0.033 539 HB1 ALA 66 1HB ALA 66 -6.461 -10.584 0.973 540 HB2 ALA 66 2HB ALA 66 -4.706 -10.767 0.952 541 HB3 ALA 66 3HB ALA 66 -5.526 -10.299 2.442 542 H THR 67 H THR 67 -6.636 -8.166 -1.137 543 HA THR 67 HA THR 67 -8.979 -7.107 0.307 544 HB THR 67 HB THR 67 -8.884 -5.930 -2.271 545 HG1 THR 67 HG1 THR 67 -6.404 -6.062 -0.948 546 HG21 THR 67 1HG2 THR 67 -9.890 -5.021 -0.180 547 HG22 THR 67 2HG2 THR 67 -8.875 -3.862 -1.038 548 HG23 THR 67 3HG2 THR 67 -8.262 -4.675 0.402 549 H PHE 68 H PHE 68 -10.975 -7.696 -0.416 550 HA PHE 68 HA PHE 68 -11.105 -9.387 -2.819 551 HB2 PHE 68 2HB PHE 68 -11.169 -10.945 -1.019 552 HB3 PHE 68 3HB PHE 68 -12.285 -9.942 -0.099 553 HD1 PHE 68 HD1 PHE 68 -11.939 -12.378 -2.778 554 HD2 PHE 68 HD2 PHE 68 -14.647 -9.844 -0.691 555 HE1 PHE 68 HE1 PHE 68 -13.834 -13.624 -3.732 556 HE2 PHE 68 HE2 PHE 68 -16.547 -11.086 -1.640 557 HZ PHE 68 HZ PHE 68 -16.142 -12.980 -3.162 558 H HIS 69 H HIS 69 -12.344 -8.371 -4.242 559 HA HIS 69 HA HIS 69 -14.443 -6.565 -3.345 560 HB2 HIS 69 2HB HIS 69 -13.293 -7.165 -6.073 561 HB3 HIS 69 3HB HIS 69 -14.644 -6.066 -5.814 562 HD1 HIS 69 HD1 HIS 69 -11.329 -6.361 -3.963 563 HD2 HIS 69 HD2 HIS 69 -13.591 -3.592 -6.078 564 HE1 HIS 69 HE1 HIS 69 -10.057 -4.197 -3.810 565 H MET 70 H MET 70 -16.617 -6.796 -3.808 566 HA MET 70 HA MET 70 -17.444 -9.382 -4.945 567 HB2 MET 70 2HB MET 70 -17.692 -9.497 -2.527 568 HB3 MET 70 3HB MET 70 -18.609 -7.997 -2.524 569 HG2 MET 70 2HG MET 70 -20.492 -9.101 -2.850 570 HG3 MET 70 3HG MET 70 -19.845 -9.838 -4.315 571 HE1 MET 70 1HE MET 70 -21.550 -12.122 -3.555 572 HE2 MET 70 2HE MET 70 -20.145 -12.060 -4.620 573 HE3 MET 70 3HE MET 70 -20.285 -13.343 -3.417 574 H VAL 71 H VAL 71 -18.973 -9.280 -6.475 575 HA VAL 71 HA VAL 71 -20.428 -6.737 -6.807 576 HB VAL 71 HB VAL 71 -19.485 -8.536 -9.043 577 HG11 VAL 71 1HG1 VAL 71 -21.570 -7.261 -9.466 578 HG12 VAL 71 2HG1 VAL 71 -20.680 -5.769 -9.154 579 HG13 VAL 71 3HG1 VAL 71 -20.238 -6.793 -10.522 580 HG21 VAL 71 1HG2 VAL 71 -18.145 -6.262 -9.458 581 HG22 VAL 71 2HG2 VAL 71 -18.238 -6.213 -7.697 582 HG23 VAL 71 3HG2 VAL 71 -17.492 -7.593 -8.503 583 H VAL 72 H VAL 72 -22.489 -7.086 -6.308 584 HA VAL 72 HA VAL 72 -23.696 -9.698 -6.771 585 HB VAL 72 HB VAL 72 -25.171 -7.362 -5.610 586 HG11 VAL 72 1HG1 VAL 72 -26.322 -9.506 -6.120 587 HG12 VAL 72 2HG1 VAL 72 -25.258 -10.304 -4.960 588 HG13 VAL 72 3HG1 VAL 72 -26.381 -9.057 -4.416 589 HG21 VAL 72 1HG2 VAL 72 -23.173 -9.094 -4.161 590 HG22 VAL 72 2HG2 VAL 72 -23.076 -7.352 -4.414 591 HG23 VAL 72 3HG2 VAL 72 -24.333 -8.024 -3.374 592 H ALA 73 H ALA 73 -24.320 -9.990 -8.828 593 HA ALA 73 HA ALA 73 -26.008 -7.904 -10.047 594 HB1 ALA 73 1HB ALA 73 -24.222 -9.781 -11.580 595 HB2 ALA 73 2HB ALA 73 -25.117 -8.394 -12.200 596 HB3 ALA 73 3HB ALA 73 -23.752 -8.147 -11.111 597 H LEU 74 H LEU 74 -28.005 -8.717 -9.658 598 HA LEU 74 HA LEU 74 -28.537 -11.478 -10.536 599 HB2 LEU 74 2HB LEU 74 -30.569 -11.293 -9.062 600 HB3 LEU 74 3HB LEU 74 -29.013 -11.342 -8.235 601 HG LEU 74 HG LEU 74 -30.189 -8.673 -8.796 602 HD11 LEU 74 1HD1 LEU 74 -32.125 -9.906 -8.007 603 HD12 LEU 74 2HD1 LEU 74 -31.558 -8.790 -6.766 604 HD13 LEU 74 3HD1 LEU 74 -31.202 -10.512 -6.632 605 HD21 LEU 74 1HD2 LEU 74 -28.238 -9.916 -7.011 606 HD22 LEU 74 2HD2 LEU 74 -29.316 -8.776 -6.204 607 HD23 LEU 74 3HD2 LEU 74 -28.354 -8.253 -7.587 608 H ARG 75 H ARG 75 -29.427 -8.131 -10.837 609 HA ARG 75 HA ARG 75 -31.806 -8.675 -12.384 610 HB2 ARG 75 2HB ARG 75 -30.743 -6.448 -10.994 611 HB3 ARG 75 3HB ARG 75 -30.886 -5.976 -12.682 612 HG2 ARG 75 2HG ARG 75 -33.107 -5.850 -12.569 613 HG3 ARG 75 3HG ARG 75 -33.236 -7.378 -11.697 614 HD2 ARG 75 2HD ARG 75 -33.298 -6.370 -9.683 615 HD3 ARG 75 3HD ARG 75 -32.113 -5.149 -10.146 616 HE ARG 75 HE ARG 75 -34.588 -4.702 -11.454 617 HH11 ARG 75 1HH1 ARG 75 -33.001 -4.386 -8.372 618 HH12 ARG 75 2HH1 ARG 75 -33.993 -3.065 -7.850 619 HH21 ARG 75 1HH2 ARG 75 -35.900 -2.963 -10.779 620 HH22 ARG 75 2HH2 ARG 75 -35.642 -2.256 -9.219 621 H ALA 76 H ALA 76 -28.688 -7.079 -13.067 622 HA ALA 76 HA ALA 76 -28.571 -8.323 -15.671 623 HB1 ALA 76 1HB ALA 76 -29.954 -6.514 -16.311 624 HB2 ALA 76 2HB ALA 76 -28.997 -5.359 -15.382 625 HB3 ALA 76 3HB ALA 76 -28.322 -6.097 -16.835 626 H GLY 77 H GLY 77 -26.536 -7.798 -16.814 627 HA2 GLY 77 2HA GLY 77 -24.327 -6.838 -16.764 628 HA3 GLY 77 3HA GLY 77 -24.440 -6.779 -15.011 629 H CYS 78 H CYS 78 -24.707 -9.247 -17.575 630 HA CYS 78 HA CYS 78 -23.833 -11.377 -15.961 631 HB2 CYS 78 2HB CYS 78 -25.027 -11.394 -18.274 632 HB3 CYS 78 3HB CYS 78 -23.397 -11.327 -18.932 633 HG CYS 78 HG CYS 78 -25.056 -13.899 -17.634 Start of MODEL 20 1 H MET 1 H MET 1 1.755 0.059 0.845 2 HA MET 1 HA MET 1 1.869 0.922 -1.725 3 HB2 MET 1 2HB MET 1 3.758 0.268 -0.025 4 HB3 MET 1 3HB MET 1 3.756 -1.254 -0.905 5 HG2 MET 1 2HG MET 1 4.881 -0.381 -2.603 6 HG3 MET 1 3HG MET 1 3.808 1.014 -2.694 7 HE1 MET 1 1HE MET 1 6.700 2.017 -3.435 8 HE2 MET 1 2HE MET 1 5.140 2.809 -3.212 9 HE3 MET 1 3HE MET 1 6.568 3.422 -2.377 10 H LEU 2 H LEU 2 2.229 -2.541 -0.939 11 HA LEU 2 HA LEU 2 1.110 -3.165 -3.585 12 HB2 LEU 2 2HB LEU 2 3.324 -4.037 -3.272 13 HB3 LEU 2 3HB LEU 2 2.867 -4.767 -1.735 14 HG LEU 2 HG LEU 2 1.399 -5.666 -4.150 15 HD11 LEU 2 1HD1 LEU 2 4.241 -5.645 -4.082 16 HD12 LEU 2 2HD1 LEU 2 3.168 -6.352 -5.290 17 HD13 LEU 2 3HD1 LEU 2 3.687 -7.310 -3.904 18 HD21 LEU 2 1HD2 LEU 2 0.692 -6.805 -2.293 19 HD22 LEU 2 2HD2 LEU 2 2.277 -6.751 -1.519 20 HD23 LEU 2 3HD2 LEU 2 1.981 -7.874 -2.847 21 H LEU 3 H LEU 3 -0.824 -4.091 -3.731 22 HA LEU 3 HA LEU 3 -1.863 -5.629 -1.466 23 HB2 LEU 3 2HB LEU 3 -3.860 -4.463 -1.304 24 HB3 LEU 3 3HB LEU 3 -2.652 -3.191 -1.476 25 HG LEU 3 HG LEU 3 -4.385 -4.217 -3.723 26 HD11 LEU 3 1HD1 LEU 3 -5.252 -1.728 -3.331 27 HD12 LEU 3 2HD1 LEU 3 -4.811 -2.128 -1.672 28 HD13 LEU 3 3HD1 LEU 3 -5.978 -3.127 -2.538 29 HD21 LEU 3 1HD2 LEU 3 -3.625 -2.065 -4.778 30 HD22 LEU 3 2HD2 LEU 3 -2.378 -3.299 -4.597 31 HD23 LEU 3 3HD2 LEU 3 -2.437 -1.935 -3.480 32 H LYS 4 H LYS 4 -3.388 -7.208 -2.008 33 HA LYS 4 HA LYS 4 -3.564 -7.781 -4.892 34 HB2 LYS 4 2HB LYS 4 -2.291 -9.461 -3.670 35 HB3 LYS 4 3HB LYS 4 -3.619 -9.677 -2.537 36 HG2 LYS 4 2HG LYS 4 -4.907 -10.833 -4.056 37 HG3 LYS 4 3HG LYS 4 -4.079 -10.133 -5.449 38 HD2 LYS 4 2HD LYS 4 -3.486 -12.482 -5.172 39 HD3 LYS 4 3HD LYS 4 -2.081 -11.445 -4.919 40 HE2 LYS 4 2HE LYS 4 -1.785 -12.312 -2.897 41 HE3 LYS 4 3HE LYS 4 -3.405 -11.803 -2.424 42 HZ1 LYS 4 1HZ LYS 4 -3.980 -13.925 -2.363 43 HZ2 LYS 4 2HZ LYS 4 -2.455 -14.406 -2.914 44 HZ3 LYS 4 3HZ LYS 4 -3.684 -14.060 -4.024 45 H VAL 5 H VAL 5 -5.496 -7.291 -5.689 46 HA VAL 5 HA VAL 5 -7.864 -7.559 -3.973 47 HB VAL 5 HB VAL 5 -9.026 -6.169 -5.631 48 HG11 VAL 5 1HG1 VAL 5 -6.434 -5.073 -4.559 49 HG12 VAL 5 2HG1 VAL 5 -7.704 -4.071 -5.263 50 HG13 VAL 5 3HG1 VAL 5 -8.026 -5.010 -3.805 51 HG21 VAL 5 1HG2 VAL 5 -7.013 -5.047 -7.162 52 HG22 VAL 5 2HG2 VAL 5 -6.661 -6.774 -7.200 53 HG23 VAL 5 3HG2 VAL 5 -8.240 -6.185 -7.719 54 H LYS 6 H LYS 6 -9.335 -9.093 -4.328 55 HA LYS 6 HA LYS 6 -9.323 -10.485 -6.921 56 HB2 LYS 6 2HB LYS 6 -9.881 -12.584 -5.613 57 HB3 LYS 6 3HB LYS 6 -8.229 -12.001 -5.465 58 HG2 LYS 6 2HG LYS 6 -9.704 -10.778 -3.403 59 HG3 LYS 6 3HG LYS 6 -10.160 -12.483 -3.422 60 HD2 LYS 6 2HD LYS 6 -7.274 -11.849 -3.668 61 HD3 LYS 6 3HD LYS 6 -8.028 -11.573 -2.096 62 HE2 LYS 6 2HE LYS 6 -8.687 -13.842 -1.915 63 HE3 LYS 6 3HE LYS 6 -8.306 -14.161 -3.606 64 HZ1 LYS 6 1HZ LYS 6 -6.049 -13.180 -2.154 65 HZ2 LYS 6 2HZ LYS 6 -6.195 -14.572 -3.103 66 HZ3 LYS 6 3HZ LYS 6 -6.662 -14.605 -1.477 67 H THR 7 H THR 7 -11.231 -10.369 -7.884 68 HA THR 7 HA THR 7 -13.579 -9.573 -6.371 69 HB THR 7 HB THR 7 -13.936 -10.189 -9.225 70 HG1 THR 7 HG1 THR 7 -12.549 -8.703 -9.994 71 HG21 THR 7 1HG2 THR 7 -15.284 -8.748 -7.377 72 HG22 THR 7 2HG2 THR 7 -15.421 -8.486 -9.116 73 HG23 THR 7 3HG2 THR 7 -14.346 -7.473 -8.153 74 H VAL 8 H VAL 8 -15.706 -10.659 -7.074 75 HA VAL 8 HA VAL 8 -15.587 -13.386 -6.288 76 HB VAL 8 HB VAL 8 -17.511 -11.876 -5.805 77 HG11 VAL 8 1HG1 VAL 8 -17.425 -11.186 -8.400 78 HG12 VAL 8 2HG1 VAL 8 -18.707 -12.398 -8.451 79 HG13 VAL 8 3HG1 VAL 8 -18.858 -10.996 -7.390 80 HG21 VAL 8 1HG2 VAL 8 -18.550 -14.217 -7.345 81 HG22 VAL 8 2HG2 VAL 8 -17.541 -14.474 -5.922 82 HG23 VAL 8 3HG2 VAL 8 -19.061 -13.593 -5.777 83 H SER 9 H SER 9 -15.082 -11.901 -9.251 84 HA SER 9 HA SER 9 -16.130 -14.064 -10.877 85 HB2 SER 9 2HB SER 9 -15.004 -11.372 -11.370 86 HB3 SER 9 3HB SER 9 -14.681 -12.576 -12.617 87 HG SER 9 HG SER 9 -16.685 -11.340 -12.842 88 H ASN 10 H ASN 10 -13.720 -14.124 -8.884 89 HA ASN 10 HA ASN 10 -11.833 -15.383 -8.686 90 HB2 ASN 10 2HB ASN 10 -13.345 -16.709 -10.614 91 HB3 ASN 10 3HB ASN 10 -11.750 -16.555 -11.346 92 HD21 ASN 10 1HD2 ASN 10 -13.529 -17.784 -8.597 93 HD22 ASN 10 2HD2 ASN 10 -12.349 -18.949 -8.111 94 H LYS 11 H LYS 11 -11.820 -12.697 -9.839 95 HA LYS 11 HA LYS 11 -9.435 -12.848 -11.555 96 HB2 LYS 11 2HB LYS 11 -11.456 -10.636 -11.167 97 HB3 LYS 11 3HB LYS 11 -9.979 -10.457 -12.103 98 HG2 LYS 11 2HG LYS 11 -10.734 -12.266 -13.594 99 HG3 LYS 11 3HG LYS 11 -12.241 -12.359 -12.680 100 HD2 LYS 11 2HD LYS 11 -12.751 -11.011 -14.531 101 HD3 LYS 11 3HD LYS 11 -12.508 -9.872 -13.205 102 HE2 LYS 11 2HE LYS 11 -10.071 -9.766 -14.040 103 HE3 LYS 11 3HE LYS 11 -10.703 -10.492 -15.517 104 HZ1 LYS 11 1HZ LYS 11 -10.778 -8.208 -15.894 105 HZ2 LYS 11 2HZ LYS 11 -11.355 -7.860 -14.343 106 HZ3 LYS 11 3HZ LYS 11 -12.372 -8.595 -15.478 107 H VAL 12 H VAL 12 -7.689 -12.843 -10.264 108 HA VAL 12 HA VAL 12 -7.589 -10.906 -8.052 109 HB VAL 12 HB VAL 12 -5.737 -13.246 -8.501 110 HG11 VAL 12 1HG1 VAL 12 -4.595 -11.885 -7.059 111 HG12 VAL 12 2HG1 VAL 12 -6.066 -11.187 -6.378 112 HG13 VAL 12 3HG1 VAL 12 -5.561 -12.811 -5.910 113 HG21 VAL 12 1HG2 VAL 12 -8.429 -13.106 -7.315 114 HG22 VAL 12 2HG2 VAL 12 -7.564 -14.476 -8.011 115 HG23 VAL 12 3HG2 VAL 12 -7.218 -13.963 -6.360 116 H ILE 13 H ILE 13 -6.293 -9.195 -8.192 117 HA ILE 13 HA ILE 13 -4.085 -9.253 -10.139 118 HB ILE 13 HB ILE 13 -6.000 -6.970 -9.653 119 HG12 ILE 13 2HG1 ILE 13 -6.865 -8.699 -11.157 120 HG13 ILE 13 3HG1 ILE 13 -6.503 -7.225 -12.050 121 HG21 ILE 13 1HG2 ILE 13 -4.580 -5.962 -11.581 122 HG22 ILE 13 2HG2 ILE 13 -3.990 -5.864 -9.923 123 HG23 ILE 13 3HG2 ILE 13 -3.344 -7.087 -11.017 124 HD11 ILE 13 1HD1 ILE 13 -4.184 -8.832 -12.103 125 HD12 ILE 13 2HD1 ILE 13 -5.560 -9.861 -12.502 126 HD13 ILE 13 3HD1 ILE 13 -5.252 -8.398 -13.437 127 H GLN 14 H GLN 14 -2.226 -9.047 -9.097 128 HA GLN 14 HA GLN 14 -2.160 -7.552 -6.573 129 HB2 GLN 14 2HB GLN 14 0.103 -8.690 -6.326 130 HB3 GLN 14 3HB GLN 14 -1.313 -9.731 -6.244 131 HG2 GLN 14 2HG GLN 14 -0.492 -10.982 -7.864 132 HG3 GLN 14 3HG GLN 14 -0.504 -9.595 -8.952 133 HE21 GLN 14 1HE2 GLN 14 1.397 -7.986 -7.909 134 HE22 GLN 14 2HE2 GLN 14 2.941 -8.757 -7.969 135 H ILE 15 H ILE 15 -1.446 -5.537 -6.656 136 HA ILE 15 HA ILE 15 0.600 -4.850 -8.665 137 HB ILE 15 HB ILE 15 -0.316 -2.551 -8.666 138 HG12 ILE 15 2HG1 ILE 15 -1.477 -3.045 -6.354 139 HG13 ILE 15 3HG1 ILE 15 -2.198 -1.910 -7.490 140 HG21 ILE 15 1HG2 ILE 15 -2.455 -3.142 -9.891 141 HG22 ILE 15 2HG2 ILE 15 -0.979 -3.910 -10.472 142 HG23 ILE 15 3HG2 ILE 15 -2.112 -4.820 -9.474 143 HD11 ILE 15 1HD1 ILE 15 -3.940 -3.287 -7.970 144 HD12 ILE 15 2HD1 ILE 15 -3.013 -4.755 -7.659 145 HD13 ILE 15 3HD1 ILE 15 -3.613 -3.789 -6.311 146 H THR 16 H THR 16 2.156 -3.270 -8.066 147 HA THR 16 HA THR 16 2.465 -2.952 -5.151 148 HB THR 16 HB THR 16 4.171 -4.456 -5.942 149 HG1 THR 16 HG1 THR 16 5.741 -3.415 -4.925 150 HG21 THR 16 1HG2 THR 16 4.686 -4.302 -8.125 151 HG22 THR 16 2HG2 THR 16 5.848 -3.078 -7.614 152 HG23 THR 16 3HG2 THR 16 4.257 -2.594 -8.199 153 H SER 17 H SER 17 1.043 -1.008 -6.060 154 HA SER 17 HA SER 17 2.655 1.310 -5.779 155 HB2 SER 17 2HB SER 17 3.245 1.053 -8.073 156 HB3 SER 17 3HB SER 17 1.585 0.669 -8.530 157 HG SER 17 HG SER 17 2.598 2.964 -8.755 158 H LEU 18 H LEU 18 1.080 1.486 -4.092 159 HA LEU 18 HA LEU 18 -1.609 2.258 -4.999 160 HB2 LEU 18 2HB LEU 18 -0.691 0.639 -2.860 161 HB3 LEU 18 3HB LEU 18 -1.442 2.074 -2.163 162 HG LEU 18 HG LEU 18 -2.723 0.060 -4.005 163 HD11 LEU 18 1HD1 LEU 18 -4.284 -0.091 -1.995 164 HD12 LEU 18 2HD1 LEU 18 -3.017 0.743 -1.097 165 HD13 LEU 18 3HD1 LEU 18 -2.688 -0.824 -1.837 166 HD21 LEU 18 1HD2 LEU 18 -3.685 2.061 -4.695 167 HD22 LEU 18 2HD2 LEU 18 -3.626 2.763 -3.078 168 HD23 LEU 18 3HD2 LEU 18 -4.792 1.491 -3.446 169 H THR 19 H THR 19 -2.597 4.135 -4.124 170 HA THR 19 HA THR 19 -0.745 6.310 -3.746 171 HB THR 19 HB THR 19 -3.616 6.843 -3.325 172 HG1 THR 19 HG1 THR 19 -4.165 6.436 -5.466 173 HG21 THR 19 1HG2 THR 19 -1.342 8.267 -4.061 174 HG22 THR 19 2HG2 THR 19 -3.004 8.855 -4.080 175 HG23 THR 19 3HG2 THR 19 -2.296 8.164 -5.540 176 H ASP 20 H ASP 20 -1.558 8.031 -2.035 177 HA ASP 20 HA ASP 20 -1.968 6.628 0.523 178 HB2 ASP 20 2HB ASP 20 -0.561 8.739 1.361 179 HB3 ASP 20 3HB ASP 20 0.210 7.241 0.847 180 H ASP 21 H ASP 21 -3.264 8.747 -1.613 181 HA ASP 21 HA ASP 21 -4.401 10.562 0.369 182 HB2 ASP 21 2HB ASP 21 -4.792 10.486 -2.631 183 HB3 ASP 21 3HB ASP 21 -5.338 11.761 -1.546 184 H ASN 22 H ASN 22 -5.500 8.215 -2.065 185 HA ASN 22 HA ASN 22 -8.039 8.011 -0.582 186 HB2 ASN 22 2HB ASN 22 -7.474 8.206 -3.485 187 HB3 ASN 22 3HB ASN 22 -8.720 7.053 -3.013 188 HD21 ASN 22 1HD2 ASN 22 -10.185 8.068 -1.193 189 HD22 ASN 22 2HD2 ASN 22 -10.820 9.624 -1.595 190 H THR 23 H THR 23 -5.832 6.213 -2.719 191 HA THR 23 HA THR 23 -5.179 4.032 -2.747 192 HB THR 23 HB THR 23 -6.205 4.057 0.098 193 HG1 THR 23 HG1 THR 23 -4.326 5.417 -0.597 194 HG21 THR 23 1HG2 THR 23 -5.905 1.849 0.116 195 HG22 THR 23 2HG2 THR 23 -4.199 2.113 -0.244 196 HG23 THR 23 3HG2 THR 23 -5.350 1.873 -1.557 197 H ILE 24 H ILE 24 -7.833 3.444 -0.503 198 HA ILE 24 HA ILE 24 -8.908 1.331 -2.003 199 HB ILE 24 HB ILE 24 -10.252 3.017 0.112 200 HG12 ILE 24 2HG1 ILE 24 -9.703 0.642 1.288 201 HG13 ILE 24 3HG1 ILE 24 -8.348 0.749 0.170 202 HG21 ILE 24 1HG2 ILE 24 -11.392 0.532 0.215 203 HG22 ILE 24 2HG2 ILE 24 -12.101 1.949 -0.557 204 HG23 ILE 24 3HG2 ILE 24 -11.192 0.784 -1.519 205 HD11 ILE 24 1HD1 ILE 24 -8.693 3.255 1.500 206 HD12 ILE 24 2HD1 ILE 24 -8.605 1.950 2.684 207 HD13 ILE 24 3HD1 ILE 24 -7.308 2.163 1.508 208 H ALA 25 H ALA 25 -10.305 4.571 -1.454 209 HA ALA 25 HA ALA 25 -12.422 4.373 -3.232 210 HB1 ALA 25 1HB ALA 25 -11.482 6.306 -1.555 211 HB2 ALA 25 2HB ALA 25 -11.198 7.030 -3.139 212 HB3 ALA 25 3HB ALA 25 -12.821 6.508 -2.686 213 H GLU 26 H GLU 26 -9.069 5.300 -3.829 214 HA GLU 26 HA GLU 26 -9.453 6.103 -6.524 215 HB2 GLU 26 2HB GLU 26 -7.439 6.451 -4.824 216 HB3 GLU 26 3HB GLU 26 -6.828 5.013 -5.629 217 HG2 GLU 26 2HG GLU 26 -5.883 6.665 -6.894 218 HG3 GLU 26 3HG GLU 26 -7.359 6.346 -7.803 219 H LEU 27 H LEU 27 -8.575 3.051 -4.991 220 HA LEU 27 HA LEU 27 -7.959 1.649 -7.369 221 HB2 LEU 27 2HB LEU 27 -8.178 1.083 -4.561 222 HB3 LEU 27 3HB LEU 27 -8.955 -0.192 -5.497 223 HG LEU 27 HG LEU 27 -6.568 -0.626 -4.904 224 HD11 LEU 27 1HD1 LEU 27 -6.154 -0.728 -7.677 225 HD12 LEU 27 2HD1 LEU 27 -7.889 -0.918 -7.429 226 HD13 LEU 27 3HD1 LEU 27 -6.759 -2.008 -6.626 227 HD21 LEU 27 1HD2 LEU 27 -5.879 1.410 -7.000 228 HD22 LEU 27 2HD2 LEU 27 -4.809 0.584 -5.866 229 HD23 LEU 27 3HD2 LEU 27 -5.928 1.818 -5.284 230 H LYS 28 H LYS 28 -10.908 1.747 -5.379 231 HA LYS 28 HA LYS 28 -12.432 0.062 -7.060 232 HB2 LYS 28 2HB LYS 28 -14.370 0.885 -5.806 233 HB3 LYS 28 3HB LYS 28 -13.042 0.480 -4.727 234 HG2 LYS 28 2HG LYS 28 -12.448 2.914 -4.696 235 HG3 LYS 28 3HG LYS 28 -13.951 3.219 -5.570 236 HD2 LYS 28 2HD LYS 28 -13.706 1.900 -2.866 237 HD3 LYS 28 3HD LYS 28 -14.243 3.554 -3.168 238 HE2 LYS 28 2HE LYS 28 -15.939 2.230 -4.772 239 HE3 LYS 28 3HE LYS 28 -15.663 0.988 -3.551 240 HZ1 LYS 28 1HZ LYS 28 -16.119 2.974 -1.941 241 HZ2 LYS 28 2HZ LYS 28 -17.401 2.116 -2.633 242 HZ3 LYS 28 3HZ LYS 28 -16.941 3.612 -3.275 243 H GLY 29 H GLY 29 -12.038 3.574 -6.901 244 HA2 GLY 29 2HA GLY 29 -14.034 4.198 -8.817 245 HA3 GLY 29 3HA GLY 29 -12.715 5.248 -8.322 246 H LYS 30 H LYS 30 -10.644 3.343 -9.095 247 HA LYS 30 HA LYS 30 -10.417 4.115 -11.844 248 HB2 LYS 30 2HB LYS 30 -8.701 2.644 -9.889 249 HB3 LYS 30 3HB LYS 30 -8.334 2.510 -11.604 250 HG2 LYS 30 2HG LYS 30 -8.615 5.144 -10.184 251 HG3 LYS 30 3HG LYS 30 -7.081 4.289 -10.355 252 HD2 LYS 30 2HD LYS 30 -7.391 4.326 -12.816 253 HD3 LYS 30 3HD LYS 30 -8.851 5.292 -12.585 254 HE2 LYS 30 2HE LYS 30 -7.154 6.844 -13.069 255 HE3 LYS 30 3HE LYS 30 -7.375 6.933 -11.322 256 HZ1 LYS 30 1HZ LYS 30 -5.142 6.751 -11.364 257 HZ2 LYS 30 2HZ LYS 30 -5.104 5.958 -12.858 258 HZ3 LYS 30 3HZ LYS 30 -5.480 5.095 -11.452 259 H LEU 31 H LEU 31 -11.122 1.134 -10.114 260 HA LEU 31 HA LEU 31 -10.977 -0.581 -12.372 261 HB2 LEU 31 2HB LEU 31 -11.177 -0.953 -9.689 262 HB3 LEU 31 3HB LEU 31 -12.815 -1.343 -10.210 263 HG LEU 31 HG LEU 31 -10.450 -2.636 -11.520 264 HD11 LEU 31 1HD1 LEU 31 -11.824 -3.947 -9.224 265 HD12 LEU 31 2HD1 LEU 31 -10.513 -2.810 -8.912 266 HD13 LEU 31 3HD1 LEU 31 -10.221 -4.242 -9.898 267 HD21 LEU 31 1HD2 LEU 31 -12.040 -3.705 -12.635 268 HD22 LEU 31 2HD2 LEU 31 -13.269 -2.775 -11.778 269 HD23 LEU 31 3HD2 LEU 31 -12.709 -4.314 -11.122 270 H GLU 32 H GLU 32 -13.658 1.074 -10.744 271 HA GLU 32 HA GLU 32 -15.689 0.016 -12.419 272 HB2 GLU 32 2HB GLU 32 -17.089 1.841 -11.483 273 HB3 GLU 32 3HB GLU 32 -16.263 0.899 -10.250 274 HG2 GLU 32 2HG GLU 32 -15.854 2.974 -9.447 275 HG3 GLU 32 3HG GLU 32 -14.458 2.812 -10.511 276 H GLU 33 H GLU 33 -13.762 2.975 -12.505 277 HA GLU 33 HA GLU 33 -15.137 4.168 -14.679 278 HB2 GLU 33 2HB GLU 33 -13.581 5.301 -13.002 279 HB3 GLU 33 3HB GLU 33 -12.252 4.660 -13.959 280 HG2 GLU 33 2HG GLU 33 -12.539 6.831 -14.742 281 HG3 GLU 33 3HG GLU 33 -13.340 5.823 -15.945 282 H SER 34 H SER 34 -12.398 1.979 -14.442 283 HA SER 34 HA SER 34 -11.515 2.168 -17.109 284 HB2 SER 34 2HB SER 34 -10.249 0.183 -16.676 285 HB3 SER 34 3HB SER 34 -10.270 1.110 -15.176 286 HG SER 34 HG SER 34 -10.726 -1.103 -14.820 287 H GLU 35 H GLU 35 -13.866 0.035 -15.543 288 HA GLU 35 HA GLU 35 -14.424 -1.405 -17.973 289 HB2 GLU 35 2HB GLU 35 -15.556 -1.424 -15.195 290 HB3 GLU 35 3HB GLU 35 -16.405 -2.241 -16.499 291 HG2 GLU 35 2HG GLU 35 -13.527 -2.838 -16.207 292 HG3 GLU 35 3HG GLU 35 -14.604 -3.446 -14.950 293 H GLY 36 H GLY 36 -15.230 1.621 -16.899 294 HA2 GLY 36 2HA GLY 36 -16.569 3.136 -18.105 295 HA3 GLY 36 3HA GLY 36 -17.429 1.778 -18.814 296 H ILE 37 H ILE 37 -18.238 0.379 -16.604 297 HA ILE 37 HA ILE 37 -19.729 2.285 -14.950 298 HB ILE 37 HB ILE 37 -21.768 0.801 -15.214 299 HG12 ILE 37 2HG1 ILE 37 -20.519 -0.025 -17.823 300 HG13 ILE 37 3HG1 ILE 37 -20.322 -1.006 -16.375 301 HG21 ILE 37 1HG2 ILE 37 -22.223 1.811 -17.586 302 HG22 ILE 37 2HG2 ILE 37 -22.031 2.866 -16.186 303 HG23 ILE 37 3HG2 ILE 37 -20.688 2.631 -17.304 304 HD11 ILE 37 1HD1 ILE 37 -22.705 -0.558 -18.057 305 HD12 ILE 37 2HD1 ILE 37 -22.158 -2.010 -17.218 306 HD13 ILE 37 3HD1 ILE 37 -22.967 -0.725 -16.321 307 HA PRO 38 HA PRO 38 -18.828 -0.454 -11.639 308 HB2 PRO 38 2HB PRO 38 -20.992 -0.079 -10.044 309 HB3 PRO 38 3HB PRO 38 -19.722 1.134 -10.241 310 HG2 PRO 38 2HG PRO 38 -22.406 0.970 -11.557 311 HG3 PRO 38 3HG PRO 38 -21.579 2.383 -10.875 312 HD2 PRO 38 2HD PRO 38 -21.628 1.864 -13.533 313 HD3 PRO 38 3HD PRO 38 -20.254 2.664 -12.741 314 H GLY 39 H GLY 39 -19.031 -2.585 -11.269 315 HA2 GLY 39 2HA GLY 39 -20.645 -4.257 -12.762 316 HA3 GLY 39 3HA GLY 39 -19.901 -4.711 -11.236 317 H ASN 40 H ASN 40 -21.230 -3.072 -9.463 318 HA ASN 40 HA ASN 40 -23.986 -2.884 -9.699 319 HB2 ASN 40 2HB ASN 40 -23.129 -5.593 -9.450 320 HB3 ASN 40 3HB ASN 40 -23.943 -5.140 -7.955 321 HD21 ASN 40 1HD2 ASN 40 -26.113 -4.764 -7.959 322 HD22 ASN 40 2HD2 ASN 40 -27.127 -5.059 -9.327 323 H MET 41 H MET 41 -22.078 -4.457 -7.133 324 HA MET 41 HA MET 41 -22.862 -2.277 -5.330 325 HB2 MET 41 2HB MET 41 -22.362 -5.164 -4.990 326 HB3 MET 41 3HB MET 41 -21.739 -4.142 -3.702 327 HG2 MET 41 2HG MET 41 -24.013 -3.138 -3.503 328 HG3 MET 41 3HG MET 41 -24.583 -4.346 -4.653 329 HE1 MET 41 1HE MET 41 -26.295 -4.587 -3.015 330 HE2 MET 41 2HE MET 41 -26.186 -6.345 -2.926 331 HE3 MET 41 3HE MET 41 -26.193 -5.386 -1.445 332 H ILE 42 H ILE 42 -20.078 -4.090 -6.509 333 HA ILE 42 HA ILE 42 -17.828 -3.754 -6.311 334 HB ILE 42 HB ILE 42 -18.545 -0.826 -6.275 335 HG12 ILE 42 2HG1 ILE 42 -19.817 -1.891 -8.056 336 HG13 ILE 42 3HG1 ILE 42 -18.498 -0.954 -8.749 337 HG21 ILE 42 1HG2 ILE 42 -16.310 -1.584 -7.914 338 HG22 ILE 42 2HG2 ILE 42 -16.374 -0.459 -6.559 339 HG23 ILE 42 3HG2 ILE 42 -16.096 -2.176 -6.267 340 HD11 ILE 42 1HD1 ILE 42 -17.604 -3.620 -8.290 341 HD12 ILE 42 2HD1 ILE 42 -19.125 -3.655 -9.182 342 HD13 ILE 42 3HD1 ILE 42 -17.755 -2.740 -9.810 343 H ARG 43 H ARG 43 -18.582 -4.489 -3.931 344 HA ARG 43 HA ARG 43 -17.337 -2.565 -2.079 345 HB2 ARG 43 2HB ARG 43 -19.892 -3.174 -1.871 346 HB3 ARG 43 3HB ARG 43 -19.268 -4.628 -1.103 347 HG2 ARG 43 2HG ARG 43 -18.681 -3.542 0.769 348 HG3 ARG 43 3HG ARG 43 -18.116 -2.120 -0.110 349 HD2 ARG 43 2HD ARG 43 -21.040 -2.722 0.061 350 HD3 ARG 43 3HD ARG 43 -20.216 -1.949 1.415 351 HE ARG 43 HE ARG 43 -19.728 -0.664 -1.106 352 HH11 ARG 43 1HH1 ARG 43 -21.894 -0.894 1.610 353 HH12 ARG 43 2HH1 ARG 43 -22.542 0.699 1.395 354 HH21 ARG 43 1HH2 ARG 43 -20.573 1.434 -1.399 355 HH22 ARG 43 2HH2 ARG 43 -21.790 2.022 -0.318 356 H LEU 44 H LEU 44 -15.484 -3.247 -1.248 357 HA LEU 44 HA LEU 44 -14.902 -6.128 -1.274 358 HB2 LEU 44 2HB LEU 44 -12.532 -5.426 -1.078 359 HB3 LEU 44 3HB LEU 44 -13.326 -4.876 -2.553 360 HG LEU 44 HG LEU 44 -13.393 -2.925 -0.370 361 HD11 LEU 44 1HD1 LEU 44 -10.739 -3.594 -1.630 362 HD12 LEU 44 2HD1 LEU 44 -11.191 -3.997 0.026 363 HD13 LEU 44 3HD1 LEU 44 -11.076 -2.309 -0.470 364 HD21 LEU 44 1HD2 LEU 44 -13.748 -2.913 -3.073 365 HD22 LEU 44 2HD2 LEU 44 -12.109 -2.279 -2.922 366 HD23 LEU 44 3HD2 LEU 44 -13.444 -1.484 -2.086 367 H VAL 45 H VAL 45 -13.746 -7.048 0.530 368 HA VAL 45 HA VAL 45 -14.376 -5.687 3.067 369 HB VAL 45 HB VAL 45 -14.033 -8.656 2.640 370 HG11 VAL 45 1HG1 VAL 45 -14.866 -8.910 4.858 371 HG12 VAL 45 2HG1 VAL 45 -13.566 -7.718 4.920 372 HG13 VAL 45 3HG1 VAL 45 -15.249 -7.192 4.975 373 HG21 VAL 45 1HG2 VAL 45 -15.988 -8.067 1.448 374 HG22 VAL 45 2HG2 VAL 45 -16.537 -8.690 3.004 375 HG23 VAL 45 3HG2 VAL 45 -16.511 -6.951 2.709 376 H TYR 46 H TYR 46 -12.705 -5.023 4.232 377 HA TYR 46 HA TYR 46 -10.054 -6.153 3.671 378 HB2 TYR 46 2HB TYR 46 -10.741 -3.571 3.638 379 HB3 TYR 46 3HB TYR 46 -10.366 -3.716 5.352 380 HD1 TYR 46 HD1 TYR 46 -8.805 -5.093 2.242 381 HD2 TYR 46 HD2 TYR 46 -8.287 -2.839 5.813 382 HE1 TYR 46 HE1 TYR 46 -6.411 -4.848 1.733 383 HE2 TYR 46 HE2 TYR 46 -5.892 -2.587 5.314 384 HH TYR 46 HH TYR 46 -4.534 -2.786 2.664 385 H GLN 47 H GLN 47 -9.364 -7.646 5.039 386 HA GLN 47 HA GLN 47 -9.034 -8.871 6.929 387 HB2 GLN 47 2HB GLN 47 -8.330 -6.278 7.500 388 HB3 GLN 47 3HB GLN 47 -9.448 -6.655 8.804 389 HG2 GLN 47 2HG GLN 47 -7.930 -7.879 9.850 390 HG3 GLN 47 3HG GLN 47 -7.600 -8.820 8.397 391 HE21 GLN 47 1HE2 GLN 47 -5.715 -8.545 7.401 392 HE22 GLN 47 2HE2 GLN 47 -4.568 -7.303 7.757 393 H GLY 48 H GLY 48 -11.730 -8.675 5.960 394 HA2 GLY 48 2HA GLY 48 -13.745 -9.571 6.657 395 HA3 GLY 48 3HA GLY 48 -13.087 -9.689 8.282 396 H LYS 49 H LYS 49 -12.674 -6.594 7.057 397 HA LYS 49 HA LYS 49 -15.117 -5.668 8.421 398 HB2 LYS 49 2HB LYS 49 -12.392 -5.048 8.939 399 HB3 LYS 49 3HB LYS 49 -13.148 -3.599 8.290 400 HG2 LYS 49 2HG LYS 49 -13.965 -3.184 10.302 401 HG3 LYS 49 3HG LYS 49 -14.958 -4.637 10.161 402 HD2 LYS 49 2HD LYS 49 -12.105 -4.690 11.121 403 HD3 LYS 49 3HD LYS 49 -13.479 -4.492 12.210 404 HE2 LYS 49 2HE LYS 49 -13.317 -6.779 10.272 405 HE3 LYS 49 3HE LYS 49 -12.551 -6.856 11.858 406 HZ1 LYS 49 1HZ LYS 49 -14.785 -6.291 12.800 407 HZ2 LYS 49 2HZ LYS 49 -14.682 -7.815 12.073 408 HZ3 LYS 49 3HZ LYS 49 -15.436 -6.538 11.258 409 H GLN 50 H GLN 50 -15.908 -3.530 7.676 410 HA GLN 50 HA GLN 50 -15.502 -3.235 4.773 411 HB2 GLN 50 2HB GLN 50 -17.971 -2.497 6.349 412 HB3 GLN 50 3HB GLN 50 -17.788 -2.472 4.600 413 HG2 GLN 50 2HG GLN 50 -18.754 -4.478 4.672 414 HG3 GLN 50 3HG GLN 50 -17.165 -5.054 5.171 415 HE21 GLN 50 1HE2 GLN 50 -17.815 -6.705 6.454 416 HE22 GLN 50 2HE2 GLN 50 -18.716 -6.497 7.914 417 H LEU 51 H LEU 51 -16.379 -0.919 4.096 418 HA LEU 51 HA LEU 51 -15.883 1.299 4.010 419 HB2 LEU 51 2HB LEU 51 -15.816 1.367 6.997 420 HB3 LEU 51 3HB LEU 51 -16.425 2.576 5.867 421 HG LEU 51 HG LEU 51 -17.766 -0.059 6.470 422 HD11 LEU 51 1HD1 LEU 51 -18.840 0.892 8.170 423 HD12 LEU 51 2HD1 LEU 51 -19.163 2.358 7.247 424 HD13 LEU 51 3HD1 LEU 51 -17.629 2.173 8.096 425 HD21 LEU 51 1HD2 LEU 51 -18.408 0.575 4.306 426 HD22 LEU 51 2HD2 LEU 51 -18.477 2.285 4.733 427 HD23 LEU 51 3HD2 LEU 51 -19.699 1.173 5.349 428 H GLU 52 H GLU 52 -13.819 1.220 3.174 429 HA GLU 52 HA GLU 52 -11.638 1.460 5.142 430 HB2 GLU 52 2HB GLU 52 -11.383 0.392 2.328 431 HB3 GLU 52 3HB GLU 52 -10.136 0.422 3.566 432 HG2 GLU 52 2HG GLU 52 -10.741 -1.617 4.154 433 HG3 GLU 52 3HG GLU 52 -12.287 -0.965 4.692 434 H ASP 53 H ASP 53 -13.451 3.095 2.921 435 HA ASP 53 HA ASP 53 -11.657 4.611 1.437 436 HB2 ASP 53 2HB ASP 53 -14.245 4.542 1.360 437 HB3 ASP 53 3HB ASP 53 -14.166 5.805 2.586 438 H GLU 54 H GLU 54 -12.686 4.950 4.775 439 HA GLU 54 HA GLU 54 -11.510 7.520 5.174 440 HB2 GLU 54 2HB GLU 54 -13.220 5.863 6.614 441 HB3 GLU 54 3HB GLU 54 -11.754 5.910 7.584 442 HG2 GLU 54 2HG GLU 54 -13.398 7.635 8.207 443 HG3 GLU 54 3HG GLU 54 -11.842 8.300 7.713 444 H LYS 55 H LYS 55 -10.289 4.332 5.046 445 HA LYS 55 HA LYS 55 -7.843 5.075 6.483 446 HB2 LYS 55 2HB LYS 55 -8.994 2.432 5.615 447 HB3 LYS 55 3HB LYS 55 -7.321 2.584 6.134 448 HG2 LYS 55 2HG LYS 55 -8.372 1.939 8.074 449 HG3 LYS 55 3HG LYS 55 -8.344 3.695 8.243 450 HD2 LYS 55 2HD LYS 55 -10.547 3.589 8.568 451 HD3 LYS 55 3HD LYS 55 -10.695 3.174 6.859 452 HE2 LYS 55 2HE LYS 55 -11.879 1.544 8.183 453 HE3 LYS 55 3HE LYS 55 -10.461 0.788 7.458 454 HZ1 LYS 55 1HZ LYS 55 -9.308 0.921 9.525 455 HZ2 LYS 55 2HZ LYS 55 -10.813 0.208 9.822 456 HZ3 LYS 55 3HZ LYS 55 -10.547 1.827 10.236 457 H ARG 56 H ARG 56 -8.367 6.240 3.937 458 HA ARG 56 HA ARG 56 -7.258 5.028 1.733 459 HB2 ARG 56 2HB ARG 56 -6.463 7.475 1.201 460 HB3 ARG 56 3HB ARG 56 -8.177 7.083 1.246 461 HG2 ARG 56 2HG ARG 56 -7.267 7.838 3.861 462 HG3 ARG 56 3HG ARG 56 -6.840 9.075 2.677 463 HD2 ARG 56 2HD ARG 56 -9.408 8.429 1.968 464 HD3 ARG 56 3HD ARG 56 -9.453 8.294 3.725 465 HE ARG 56 HE ARG 56 -8.182 10.681 3.162 466 HH11 ARG 56 1HH1 ARG 56 -11.299 9.246 2.579 467 HH12 ARG 56 2HH1 ARG 56 -12.142 10.760 2.580 468 HH21 ARG 56 1HH2 ARG 56 -9.279 12.681 3.165 469 HH22 ARG 56 2HH2 ARG 56 -10.991 12.713 2.912 470 H LEU 57 H LEU 57 -5.447 7.355 3.741 471 HA LEU 57 HA LEU 57 -2.929 6.474 2.756 472 HB2 LEU 57 2HB LEU 57 -3.661 8.745 3.822 473 HB3 LEU 57 3HB LEU 57 -3.223 7.954 5.334 474 HG LEU 57 HG LEU 57 -1.259 8.043 3.081 475 HD11 LEU 57 1HD1 LEU 57 -2.333 10.340 4.490 476 HD12 LEU 57 2HD1 LEU 57 -1.265 10.269 3.090 477 HD13 LEU 57 3HD1 LEU 57 -0.593 10.164 4.717 478 HD21 LEU 57 1HD2 LEU 57 -0.437 8.463 5.861 479 HD22 LEU 57 2HD2 LEU 57 0.215 7.377 4.633 480 HD23 LEU 57 3HD2 LEU 57 -1.213 6.908 5.557 481 H LYS 58 H LYS 58 -4.841 5.744 5.609 482 HA LYS 58 HA LYS 58 -2.905 4.436 7.140 483 HB2 LYS 58 2HB LYS 58 -5.730 4.805 7.212 484 HB3 LYS 58 3HB LYS 58 -5.400 3.095 7.462 485 HG2 LYS 58 2HG LYS 58 -3.597 4.686 9.029 486 HG3 LYS 58 3HG LYS 58 -5.269 5.157 9.345 487 HD2 LYS 58 2HD LYS 58 -5.719 2.632 9.548 488 HD3 LYS 58 3HD LYS 58 -3.967 2.475 9.693 489 HE2 LYS 58 2HE LYS 58 -3.949 3.299 11.781 490 HE3 LYS 58 3HE LYS 58 -5.132 4.550 11.399 491 HZ1 LYS 58 1HZ LYS 58 -6.822 2.684 11.437 492 HZ2 LYS 58 2HZ LYS 58 -6.180 3.152 12.930 493 HZ3 LYS 58 3HZ LYS 58 -5.629 1.740 12.178 494 H ASP 59 H ASP 59 -4.636 3.419 4.311 495 HA ASP 59 HA ASP 59 -3.983 0.622 4.641 496 HB2 ASP 59 2HB ASP 59 -5.520 2.252 2.696 497 HB3 ASP 59 3HB ASP 59 -4.795 0.771 2.078 498 H TYR 60 H TYR 60 -2.422 3.386 3.462 499 HA TYR 60 HA TYR 60 -0.788 2.035 1.502 500 HB2 TYR 60 2HB TYR 60 -1.386 4.407 1.224 501 HB3 TYR 60 3HB TYR 60 -0.516 4.800 2.703 502 HD1 TYR 60 HD1 TYR 60 0.054 3.152 -0.603 503 HD2 TYR 60 HD2 TYR 60 1.668 5.537 2.529 504 HE1 TYR 60 HE1 TYR 60 2.117 3.458 -1.907 505 HE2 TYR 60 HE2 TYR 60 3.735 5.851 1.233 506 HH TYR 60 HH TYR 60 4.780 5.466 -0.687 507 H GLN 61 H GLN 61 -0.718 2.558 4.880 508 HA GLN 61 HA GLN 61 2.146 2.291 5.151 509 HB2 GLN 61 2HB GLN 61 -0.076 2.311 7.199 510 HB3 GLN 61 3HB GLN 61 1.635 2.229 7.596 511 HG2 GLN 61 2HG GLN 61 2.035 4.399 6.769 512 HG3 GLN 61 3HG GLN 61 0.462 4.466 5.977 513 HE21 GLN 61 1HE2 GLN 61 -1.265 3.692 7.860 514 HE22 GLN 61 2HE2 GLN 61 -1.228 4.762 9.216 515 H MET 62 H MET 62 -0.422 0.190 4.656 516 HA MET 62 HA MET 62 0.602 -2.023 6.198 517 HB2 MET 62 2HB MET 62 -1.433 -2.219 3.990 518 HB3 MET 62 3HB MET 62 -1.246 -3.255 5.398 519 HG2 MET 62 2HG MET 62 -2.091 -0.371 5.515 520 HG3 MET 62 3HG MET 62 -3.202 -1.739 5.499 521 HE1 MET 62 1HE MET 62 -3.840 -3.047 7.065 522 HE2 MET 62 2HE MET 62 -2.605 -3.821 8.059 523 HE3 MET 62 3HE MET 62 -3.754 -2.701 8.793 524 H SER 63 H SER 63 0.147 -1.452 2.703 525 HA SER 63 HA SER 63 1.188 -2.333 0.877 526 HB2 SER 63 2HB SER 63 3.668 -2.455 2.592 527 HB3 SER 63 3HB SER 63 3.559 -2.181 0.854 528 HG SER 63 HG SER 63 2.566 -0.419 2.847 529 H ALA 64 H ALA 64 -0.078 -4.208 2.655 530 HA ALA 64 HA ALA 64 0.784 -6.622 1.536 531 HB1 ALA 64 1HB ALA 64 1.895 -6.006 4.247 532 HB2 ALA 64 2HB ALA 64 1.570 -7.670 3.758 533 HB3 ALA 64 3HB ALA 64 2.707 -6.685 2.836 534 H GLY 65 H GLY 65 -1.668 -5.423 1.830 535 HA2 GLY 65 2HA GLY 65 -3.009 -7.188 3.787 536 HA3 GLY 65 3HA GLY 65 -3.578 -5.567 3.415 537 H ALA 66 H ALA 66 -4.073 -8.775 2.821 538 HA ALA 66 HA ALA 66 -4.685 -8.862 0.080 539 HB1 ALA 66 1HB ALA 66 -4.710 -10.989 0.775 540 HB2 ALA 66 2HB ALA 66 -5.160 -10.546 2.423 541 HB3 ALA 66 3HB ALA 66 -6.400 -10.681 1.176 542 H THR 67 H THR 67 -6.457 -8.329 -1.081 543 HA THR 67 HA THR 67 -8.747 -7.186 0.383 544 HB THR 67 HB THR 67 -8.660 -6.046 -2.210 545 HG1 THR 67 HG1 THR 67 -6.545 -6.091 -2.520 546 HG21 THR 67 1HG2 THR 67 -9.434 -5.205 0.150 547 HG22 THR 67 2HG2 THR 67 -8.878 -4.054 -1.066 548 HG23 THR 67 3HG2 THR 67 -7.796 -4.559 0.232 549 H PHE 68 H PHE 68 -10.772 -7.719 -0.305 550 HA PHE 68 HA PHE 68 -10.987 -9.447 -2.677 551 HB2 PHE 68 2HB PHE 68 -11.083 -10.964 -0.841 552 HB3 PHE 68 3HB PHE 68 -12.162 -9.908 0.064 553 HD1 PHE 68 HD1 PHE 68 -14.418 -10.355 0.059 554 HD2 PHE 68 HD2 PHE 68 -12.013 -11.804 -3.140 555 HE1 PHE 68 HE1 PHE 68 -16.361 -11.558 -0.853 556 HE2 PHE 68 HE2 PHE 68 -13.952 -13.008 -4.057 557 HZ PHE 68 HZ PHE 68 -16.130 -12.886 -2.914 558 H HIS 69 H HIS 69 -12.211 -8.424 -4.107 559 HA HIS 69 HA HIS 69 -14.226 -6.518 -3.229 560 HB2 HIS 69 2HB HIS 69 -13.129 -7.238 -5.948 561 HB3 HIS 69 3HB HIS 69 -14.456 -6.103 -5.720 562 HD1 HIS 69 HD1 HIS 69 -11.200 -6.363 -3.775 563 HD2 HIS 69 HD2 HIS 69 -13.289 -3.700 -6.185 564 HE1 HIS 69 HE1 HIS 69 -9.867 -4.231 -3.734 565 H MET 70 H MET 70 -16.415 -6.678 -3.648 566 HA MET 70 HA MET 70 -17.361 -9.262 -4.692 567 HB2 MET 70 2HB MET 70 -17.563 -9.278 -2.259 568 HB3 MET 70 3HB MET 70 -18.449 -7.759 -2.305 569 HG2 MET 70 2HG MET 70 -20.362 -8.822 -2.598 570 HG3 MET 70 3HG MET 70 -19.727 -9.672 -4.004 571 HE1 MET 70 1HE MET 70 -21.217 -11.535 -3.638 572 HE2 MET 70 2HE MET 70 -21.057 -12.790 -2.410 573 HE3 MET 70 3HE MET 70 -21.914 -11.294 -2.035 574 H VAL 71 H VAL 71 -18.848 -9.122 -6.249 575 HA VAL 71 HA VAL 71 -20.417 -6.650 -6.500 576 HB VAL 71 HB VAL 71 -19.042 -8.035 -8.807 577 HG11 VAL 71 1HG1 VAL 71 -20.061 -5.412 -9.372 578 HG12 VAL 71 2HG1 VAL 71 -20.417 -6.945 -10.170 579 HG13 VAL 71 3HG1 VAL 71 -21.352 -6.445 -8.760 580 HG21 VAL 71 1HG2 VAL 71 -18.413 -5.537 -7.273 581 HG22 VAL 71 2HG2 VAL 71 -17.342 -6.867 -7.716 582 HG23 VAL 71 3HG2 VAL 71 -17.898 -5.734 -8.948 583 H VAL 72 H VAL 72 -22.457 -7.275 -6.237 584 HA VAL 72 HA VAL 72 -23.317 -9.863 -7.324 585 HB VAL 72 HB VAL 72 -23.852 -9.646 -5.004 586 HG11 VAL 72 1HG1 VAL 72 -24.292 -6.901 -5.692 587 HG12 VAL 72 2HG1 VAL 72 -25.710 -7.541 -4.858 588 HG13 VAL 72 3HG1 VAL 72 -24.120 -7.637 -4.099 589 HG21 VAL 72 1HG2 VAL 72 -26.535 -9.002 -6.022 590 HG22 VAL 72 2HG2 VAL 72 -25.681 -10.271 -6.900 591 HG23 VAL 72 3HG2 VAL 72 -25.957 -10.431 -5.165 592 H ALA 73 H ALA 73 -24.043 -9.694 -9.348 593 HA ALA 73 HA ALA 73 -25.850 -7.455 -9.992 594 HB1 ALA 73 1HB ALA 73 -24.234 -8.945 -12.038 595 HB2 ALA 73 2HB ALA 73 -25.031 -7.378 -12.188 596 HB3 ALA 73 3HB ALA 73 -23.594 -7.543 -11.179 597 H LEU 74 H LEU 74 -27.822 -8.360 -9.676 598 HA LEU 74 HA LEU 74 -28.394 -10.887 -11.077 599 HB2 LEU 74 2HB LEU 74 -29.134 -9.851 -8.457 600 HB3 LEU 74 3HB LEU 74 -30.517 -10.433 -9.381 601 HG LEU 74 HG LEU 74 -29.423 -12.622 -9.612 602 HD11 LEU 74 1HD1 LEU 74 -27.469 -12.674 -7.689 603 HD12 LEU 74 2HD1 LEU 74 -27.171 -11.140 -8.506 604 HD13 LEU 74 3HD1 LEU 74 -27.199 -12.640 -9.432 605 HD21 LEU 74 1HD2 LEU 74 -29.501 -13.220 -7.149 606 HD22 LEU 74 2HD2 LEU 74 -30.945 -12.462 -7.821 607 HD23 LEU 74 3HD2 LEU 74 -29.822 -11.512 -6.847 608 H ARG 75 H ARG 75 -29.268 -7.551 -10.702 609 HA ARG 75 HA ARG 75 -31.697 -7.817 -12.266 610 HB2 ARG 75 2HB ARG 75 -30.910 -6.049 -10.328 611 HB3 ARG 75 3HB ARG 75 -30.650 -5.113 -11.794 612 HG2 ARG 75 2HG ARG 75 -32.802 -4.580 -11.671 613 HG3 ARG 75 3HG ARG 75 -33.137 -6.234 -12.186 614 HD2 ARG 75 2HD ARG 75 -33.762 -6.898 -10.109 615 HD3 ARG 75 3HD ARG 75 -32.624 -5.819 -9.304 616 HE ARG 75 HE ARG 75 -34.292 -4.274 -9.137 617 HH11 ARG 75 1HH1 ARG 75 -35.131 -6.553 -11.632 618 HH12 ARG 75 2HH1 ARG 75 -36.711 -5.890 -11.888 619 HH21 ARG 75 1HH2 ARG 75 -36.371 -3.393 -9.464 620 HH22 ARG 75 2HH2 ARG 75 -37.415 -4.093 -10.654 621 H ALA 76 H ALA 76 -28.626 -6.031 -12.595 622 HA ALA 76 HA ALA 76 -28.374 -6.695 -15.355 623 HB1 ALA 76 1HB ALA 76 -30.170 -4.964 -15.434 624 HB2 ALA 76 2HB ALA 76 -29.009 -3.806 -14.782 625 HB3 ALA 76 3HB ALA 76 -28.722 -4.553 -16.354 626 H GLY 77 H GLY 77 -26.465 -5.654 -16.352 627 HA2 GLY 77 2HA GLY 77 -24.572 -4.064 -15.752 628 HA3 GLY 77 3HA GLY 77 -24.478 -5.002 -14.269 629 H CYS 78 H CYS 78 -25.051 -6.234 -17.529 630 HA CYS 78 HA CYS 78 -22.816 -8.059 -17.201 631 HB2 CYS 78 2HB CYS 78 -25.176 -7.875 -19.000 632 HB3 CYS 78 3HB CYS 78 -23.752 -8.694 -19.629 633 HG CYS 78 HG CYS 78 -25.970 -9.721 -17.356
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