NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
640885 | 6nnb | 30559 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 1H SER 1 -13.449 -10.505 1.233 2 H2 SER 1 2H SER 1 -15.071 -10.500 1.693 3 H3 SER 1 3H SER 1 -13.805 -10.698 2.833 4 HA SER 1 HA SER 1 -14.727 -8.509 2.920 5 HB2 SER 1 2HB SER 1 -11.847 -8.799 2.053 6 HB3 SER 1 1HB SER 1 -12.510 -7.480 3.031 7 HG SER 1 HG SER 1 -11.501 -9.406 4.169 8 H ASN 2 H ASN 2 -12.818 -8.994 -0.158 9 HA ASN 2 HA ASN 2 -14.799 -7.582 -1.642 10 HB2 ASN 2 2HB ASN 2 -13.525 -5.640 -2.323 11 HB3 ASN 2 1HB ASN 2 -13.603 -5.630 -0.569 12 HD21 ASN 2 1HD2 ASN 2 -11.699 -4.355 -2.451 13 HD22 ASN 2 2HD2 ASN 2 -10.148 -4.933 -1.976 14 H ALA 3 H ALA 3 -14.159 -7.395 -3.898 15 HA ALA 3 HA ALA 3 -12.252 -9.489 -4.548 16 HB1 ALA 3 1HB ALA 3 -14.249 -8.106 -6.351 17 HB2 ALA 3 2HB ALA 3 -14.474 -9.681 -5.588 18 HB3 ALA 3 3HB ALA 3 -13.217 -9.463 -6.805 19 H MET 4 H MET 4 -13.119 -6.408 -5.958 20 HA MET 4 HA MET 4 -10.267 -5.668 -6.090 21 HB2 MET 4 2HB MET 4 -12.301 -5.382 -8.294 22 HB3 MET 4 1HB MET 4 -10.681 -4.716 -8.308 23 HG2 MET 4 2HG MET 4 -9.775 -7.012 -8.223 24 HG3 MET 4 1HG MET 4 -11.421 -7.637 -8.258 25 HE1 MET 4 1HE MET 4 -9.217 -8.599 -10.317 26 HE2 MET 4 2HE MET 4 -10.127 -8.563 -11.827 27 HE3 MET 4 3HE MET 4 -10.889 -9.159 -10.353 28 H GLU 5 H GLU 5 -13.281 -4.963 -5.086 29 HA GLU 5 HA GLU 5 -13.868 -2.365 -5.666 30 HB2 GLU 5 2HB GLU 5 -14.459 -3.731 -3.042 31 HB3 GLU 5 1HB GLU 5 -15.278 -2.330 -3.688 32 HG2 GLU 5 2HG GLU 5 -16.732 -4.172 -4.018 33 HG3 GLU 5 1HG GLU 5 -16.058 -3.786 -5.599 34 H LEU 6 H LEU 6 -13.293 -0.536 -5.020 35 HA LEU 6 HA LEU 6 -11.057 -0.270 -3.165 36 HB2 LEU 6 2HB LEU 6 -12.253 1.759 -5.048 37 HB3 LEU 6 1HB LEU 6 -10.899 2.034 -3.968 38 HG LEU 6 HG LEU 6 -10.889 0.040 -6.238 39 HD11 LEU 6 1HD1 LEU 6 -11.028 2.331 -7.075 40 HD12 LEU 6 2HD1 LEU 6 -9.434 1.643 -7.379 41 HD13 LEU 6 3HD1 LEU 6 -9.661 2.792 -6.061 42 HD21 LEU 6 1HD2 LEU 6 -8.689 1.081 -4.455 43 HD22 LEU 6 2HD2 LEU 6 -8.471 0.011 -5.838 44 HD23 LEU 6 3HD2 LEU 6 -9.368 -0.549 -4.428 45 H ASP 7 H ASP 7 -12.014 -0.446 -1.230 46 HA ASP 7 HA ASP 7 -13.876 1.712 -0.456 47 HB2 ASP 7 2HB ASP 7 -14.747 -0.667 -0.256 48 HB3 ASP 7 1HB ASP 7 -13.460 -0.990 0.894 49 H LEU 8 H LEU 8 -11.107 1.522 -0.786 50 HA LEU 8 HA LEU 8 -9.699 1.343 1.732 51 HB2 LEU 8 2HB LEU 8 -8.742 2.511 -0.854 52 HB3 LEU 8 1HB LEU 8 -7.747 2.007 0.487 53 HG LEU 8 HG LEU 8 -9.369 0.158 -1.263 54 HD11 LEU 8 1HD1 LEU 8 -6.402 0.645 -1.118 55 HD12 LEU 8 2HD1 LEU 8 -7.475 1.109 -2.437 56 HD13 LEU 8 3HD1 LEU 8 -7.197 -0.596 -2.088 57 HD21 LEU 8 1HD2 LEU 8 -8.172 -1.639 -0.086 58 HD22 LEU 8 2HD2 LEU 8 -9.174 -0.698 1.014 59 HD23 LEU 8 3HD2 LEU 8 -7.429 -0.443 0.976 60 H GLN 9 H GLN 9 -9.712 2.901 3.147 61 HA GLN 9 HA GLN 9 -10.056 5.632 2.221 62 HB2 GLN 9 2HB GLN 9 -10.980 4.341 4.783 63 HB3 GLN 9 1HB GLN 9 -10.981 6.074 4.535 64 HG2 GLN 9 2HG GLN 9 -12.520 4.086 2.874 65 HG3 GLN 9 1HG GLN 9 -13.198 5.111 4.141 66 HE21 GLN 9 1HE2 GLN 9 -11.870 5.035 0.934 67 HE22 GLN 9 2HE2 GLN 9 -12.393 6.612 0.465 68 HA PRO 10 HA PRO 10 -6.153 6.584 3.935 69 HB2 PRO 10 2HB PRO 10 -7.044 9.031 5.215 70 HB3 PRO 10 1HB PRO 10 -6.050 8.826 3.790 71 HG2 PRO 10 2HG PRO 10 -8.596 9.781 3.632 72 HG3 PRO 10 1HG PRO 10 -7.743 8.979 2.304 73 HD2 PRO 10 2HD PRO 10 -9.863 7.913 4.055 74 HD3 PRO 10 1HD PRO 10 -9.473 7.517 2.389 75 H GLY 11 H GLY 11 -5.228 5.728 5.622 76 HA2 GLY 11 2HA GLY 11 -4.810 5.787 8.019 77 HA3 GLY 11 1HA GLY 11 -6.554 5.869 8.252 78 H ASP 12 H ASP 12 -6.380 3.896 5.774 79 HA ASP 12 HA ASP 12 -6.956 1.572 7.296 80 HB2 ASP 12 2HB ASP 12 -7.997 2.229 5.080 81 HB3 ASP 12 1HB ASP 12 -6.467 1.787 4.349 82 H VAL 13 H VAL 13 -5.971 -0.458 6.979 83 HA VAL 13 HA VAL 13 -3.062 -0.415 6.674 84 HB VAL 13 HB VAL 13 -3.701 -0.161 9.005 85 HG11 VAL 13 1HG1 VAL 13 -5.816 -1.198 9.158 86 HG12 VAL 13 2HG1 VAL 13 -4.738 -1.962 10.327 87 HG13 VAL 13 3HG1 VAL 13 -5.127 -2.785 8.817 88 HG21 VAL 13 1HG2 VAL 13 -2.388 -2.048 9.984 89 HG22 VAL 13 2HG2 VAL 13 -1.623 -1.218 8.636 90 HG23 VAL 13 3HG2 VAL 13 -2.388 -2.794 8.381 91 H VAL 14 H VAL 14 -2.772 -1.585 4.942 92 HA VAL 14 HA VAL 14 -4.252 -4.131 4.595 93 HB VAL 14 HB VAL 14 -4.313 -3.566 2.137 94 HG11 VAL 14 1HG1 VAL 14 -6.291 -3.423 3.574 95 HG12 VAL 14 2HG1 VAL 14 -6.298 -2.162 2.339 96 HG13 VAL 14 3HG1 VAL 14 -5.859 -1.768 4.001 97 HG21 VAL 14 1HG2 VAL 14 -3.690 -0.801 3.182 98 HG22 VAL 14 2HG2 VAL 14 -4.190 -1.180 1.537 99 HG23 VAL 14 3HG2 VAL 14 -2.646 -1.776 2.151 100 H LYS 15 H LYS 15 -3.358 -5.495 2.912 101 HA LYS 15 HA LYS 15 -0.452 -5.319 2.783 102 HB2 LYS 15 2HB LYS 15 -0.721 -7.645 1.781 103 HB3 LYS 15 1HB LYS 15 -0.977 -7.521 3.499 104 HG2 LYS 15 2HG LYS 15 -3.347 -7.628 3.201 105 HG3 LYS 15 1HG LYS 15 -3.182 -7.505 1.453 106 HD2 LYS 15 2HD LYS 15 -2.001 -9.619 1.421 107 HD3 LYS 15 1HD LYS 15 -2.141 -9.766 3.178 108 HE2 LYS 15 2HE LYS 15 -4.594 -9.792 2.955 109 HE3 LYS 15 1HE LYS 15 -4.430 -9.665 1.208 110 HZ1 LYS 15 1HZ LYS 15 -4.885 -11.877 1.960 111 HZ2 LYS 15 2HZ LYS 15 -3.473 -11.960 2.852 112 HZ3 LYS 15 3HZ LYS 15 -3.415 -11.839 1.146 113 H VAL 16 H VAL 16 0.465 -4.821 0.988 114 HA VAL 16 HA VAL 16 -1.145 -4.826 -1.425 115 HB VAL 16 HB VAL 16 -0.153 -2.751 -2.142 116 HG11 VAL 16 1HG1 VAL 16 -1.245 -2.388 0.632 117 HG12 VAL 16 2HG1 VAL 16 -2.207 -2.636 -0.811 118 HG13 VAL 16 3HG1 VAL 16 -1.229 -1.167 -0.647 119 HG21 VAL 16 1HG2 VAL 16 2.013 -2.868 -1.085 120 HG22 VAL 16 2HG2 VAL 16 1.274 -2.695 0.507 121 HG23 VAL 16 3HG2 VAL 16 1.219 -1.353 -0.640 122 H LEU 17 H LEU 17 -0.059 -5.501 -3.167 123 HA LEU 17 HA LEU 17 2.612 -6.456 -2.621 124 HB2 LEU 17 2HB LEU 17 1.175 -8.038 -3.673 125 HB3 LEU 17 1HB LEU 17 0.758 -7.002 -4.981 126 HG LEU 17 HG LEU 17 3.531 -8.195 -4.521 127 HD11 LEU 17 1HD1 LEU 17 1.886 -9.960 -4.840 128 HD12 LEU 17 2HD1 LEU 17 2.936 -9.828 -6.251 129 HD13 LEU 17 3HD1 LEU 17 1.301 -9.167 -6.302 130 HD21 LEU 17 1HD2 LEU 17 3.543 -6.233 -6.010 131 HD22 LEU 17 2HD2 LEU 17 2.315 -6.996 -7.020 132 HD23 LEU 17 3HD2 LEU 17 3.921 -7.714 -6.889 133 H GLU 18 H GLU 18 3.821 -4.932 -2.449 134 HA GLU 18 HA GLU 18 3.736 -2.426 -3.712 135 HB2 GLU 18 2HB GLU 18 4.657 -2.788 -1.508 136 HB3 GLU 18 1HB GLU 18 5.908 -3.829 -2.164 137 HG2 GLU 18 2HG GLU 18 6.848 -1.946 -3.355 138 HG3 GLU 18 1HG GLU 18 5.602 -0.889 -2.719 139 H SER 19 H SER 19 6.008 -5.082 -4.064 140 HA SER 19 HA SER 19 6.492 -4.338 -6.800 141 HB2 SER 19 2HB SER 19 8.619 -4.292 -4.649 142 HB3 SER 19 1HB SER 19 8.999 -4.263 -6.387 143 HG SER 19 HG SER 19 7.135 -2.437 -5.638 144 H ALA 20 H ALA 20 7.425 -6.073 -7.987 145 HA ALA 20 HA ALA 20 6.491 -8.592 -7.240 146 HB1 ALA 20 1HB ALA 20 8.543 -7.952 -9.351 147 HB2 ALA 20 2HB ALA 20 6.794 -7.874 -9.561 148 HB3 ALA 20 3HB ALA 20 7.577 -9.422 -9.244 149 H ALA 21 H ALA 21 9.575 -7.135 -6.629 150 HA ALA 21 HA ALA 21 10.834 -9.674 -5.992 151 HB1 ALA 21 1HB ALA 21 12.838 -8.343 -5.583 152 HB2 ALA 21 2HB ALA 21 11.899 -6.860 -5.758 153 HB3 ALA 21 3HB ALA 21 12.122 -7.930 -7.142 154 H LEU 22 H LEU 22 8.624 -8.032 -4.427 155 HA LEU 22 HA LEU 22 9.785 -8.575 -1.781 156 HB2 LEU 22 2HB LEU 22 8.090 -6.185 -2.519 157 HB3 LEU 22 1HB LEU 22 8.538 -6.621 -0.885 158 HG LEU 22 HG LEU 22 10.480 -5.806 -3.055 159 HD11 LEU 22 1HD1 LEU 22 10.723 -3.749 -1.768 160 HD12 LEU 22 2HD1 LEU 22 9.463 -4.289 -0.659 161 HD13 LEU 22 3HD1 LEU 22 9.069 -3.951 -2.345 162 HD21 LEU 22 1HD2 LEU 22 11.491 -7.321 -1.424 163 HD22 LEU 22 2HD2 LEU 22 10.896 -6.313 -0.106 164 HD23 LEU 22 3HD2 LEU 22 12.107 -5.682 -1.219 165 H GLY 23 H GLY 23 6.820 -8.014 -3.643 166 HA2 GLY 23 2HA GLY 23 5.010 -9.530 -3.680 167 HA3 GLY 23 1HA GLY 23 5.614 -10.215 -2.181 168 H TRP 24 H TRP 24 3.569 -10.060 -1.348 169 HA TRP 24 HA TRP 24 2.233 -7.605 -0.916 170 HB2 TRP 24 2HB TRP 24 1.907 -10.296 0.418 171 HB3 TRP 24 1HB TRP 24 0.809 -8.934 0.598 172 HD1 TRP 24 HD1 TRP 24 1.817 -11.663 -1.869 173 HE1 TRP 24 HE1 TRP 24 0.070 -11.740 -3.765 174 HE3 TRP 24 HE3 TRP 24 -0.832 -7.481 -0.678 175 HZ2 TRP 24 HZ2 TRP 24 -2.135 -10.215 -4.640 176 HZ3 TRP 24 HZ3 TRP 24 -2.736 -6.847 -2.092 177 HH2 TRP 24 HH2 TRP 24 -3.375 -8.185 -4.033 178 H VAL 25 H VAL 25 3.085 -6.120 0.270 179 HA VAL 25 HA VAL 25 4.327 -6.811 2.836 180 HB VAL 25 HB VAL 25 5.429 -4.616 2.777 181 HG11 VAL 25 1HG1 VAL 25 6.655 -6.444 1.773 182 HG12 VAL 25 2HG1 VAL 25 6.993 -4.940 0.915 183 HG13 VAL 25 3HG1 VAL 25 5.893 -6.128 0.214 184 HG21 VAL 25 1HG2 VAL 25 4.122 -4.243 0.079 185 HG22 VAL 25 2HG2 VAL 25 5.321 -3.160 0.790 186 HG23 VAL 25 3HG2 VAL 25 3.741 -3.350 1.551 187 H ARG 26 H ARG 26 3.893 -4.701 4.335 188 HA ARG 26 HA ARG 26 1.006 -4.412 4.096 189 HB2 ARG 26 2HB ARG 26 1.808 -5.675 6.095 190 HB3 ARG 26 1HB ARG 26 2.662 -4.232 6.629 191 HG2 ARG 26 2HG ARG 26 -0.315 -4.242 6.192 192 HG3 ARG 26 1HG ARG 26 0.396 -4.789 7.707 193 HD2 ARG 26 2HD ARG 26 0.884 -2.084 6.478 194 HD3 ARG 26 1HD ARG 26 -0.348 -2.411 7.695 195 HE ARG 26 HE ARG 26 1.558 -3.208 9.098 196 HH11 ARG 26 1HH1 ARG 26 2.134 -0.733 6.599 197 HH12 ARG 26 2HH1 ARG 26 3.352 0.055 7.502 198 HH21 ARG 26 1HH2 ARG 26 3.299 -2.058 10.304 199 HH22 ARG 26 2HH2 ARG 26 4.033 -0.726 9.548 200 H ALA 27 H ALA 27 0.202 -2.508 3.847 201 HA ALA 27 HA ALA 27 2.005 -0.214 4.067 202 HB1 ALA 27 1HB ALA 27 1.073 0.700 2.015 203 HB2 ALA 27 2HB ALA 27 0.088 -0.748 1.804 204 HB3 ALA 27 3HB ALA 27 1.847 -0.855 1.717 205 H ARG 28 H ARG 28 0.550 1.784 3.648 206 HA ARG 28 HA ARG 28 -1.875 1.587 5.301 207 HB2 ARG 28 2HB ARG 28 0.021 2.186 6.669 208 HB3 ARG 28 1HB ARG 28 0.571 3.330 5.477 209 HG2 ARG 28 2HG ARG 28 -1.315 4.786 6.014 210 HG3 ARG 28 1HG ARG 28 -1.875 3.602 7.206 211 HD2 ARG 28 2HD ARG 28 -0.505 5.438 8.210 212 HD3 ARG 28 1HD ARG 28 0.148 3.826 8.494 213 HE ARG 28 HE ARG 28 1.236 5.859 6.655 214 HH11 ARG 28 1HH1 ARG 28 1.684 2.769 8.370 215 HH12 ARG 28 2HH1 ARG 28 3.319 2.575 7.948 216 HH21 ARG 28 1HH2 ARG 28 3.621 5.620 6.129 217 HH22 ARG 28 2HH2 ARG 28 4.407 4.232 6.701 218 H VAL 29 H VAL 29 -3.493 2.651 4.355 219 HA VAL 29 HA VAL 29 -3.052 4.138 1.847 220 HB VAL 29 HB VAL 29 -5.556 3.803 3.493 221 HG11 VAL 29 1HG1 VAL 29 -5.166 4.496 0.564 222 HG12 VAL 29 2HG1 VAL 29 -5.654 5.614 1.835 223 HG13 VAL 29 3HG1 VAL 29 -6.729 4.300 1.358 224 HG21 VAL 29 1HG2 VAL 29 -6.214 1.961 2.028 225 HG22 VAL 29 2HG2 VAL 29 -4.706 1.585 2.864 226 HG23 VAL 29 3HG2 VAL 29 -4.684 2.077 1.172 227 H ILE 30 H ILE 30 -2.532 6.072 1.775 228 HA ILE 30 HA ILE 30 -2.867 7.580 4.197 229 HB ILE 30 HB ILE 30 -0.959 7.897 1.922 230 HG12 ILE 30 2HG1 ILE 30 0.684 8.347 3.740 231 HG13 ILE 30 1HG1 ILE 30 -0.616 8.211 4.910 232 HG21 ILE 30 1HG2 ILE 30 -1.669 10.256 3.662 233 HG22 ILE 30 2HG2 ILE 30 -1.907 10.117 1.920 234 HG23 ILE 30 3HG2 ILE 30 -0.275 10.175 2.583 235 HD11 ILE 30 1HD1 ILE 30 -0.929 5.900 4.282 236 HD12 ILE 30 2HD1 ILE 30 0.730 6.208 4.804 237 HD13 ILE 30 3HD1 ILE 30 0.348 6.048 3.084 238 H ARG 31 H ARG 31 -3.757 7.705 0.758 239 HA ARG 31 HA ARG 31 -5.829 9.583 1.373 240 HB2 ARG 31 2HB ARG 31 -3.914 10.955 1.204 241 HB3 ARG 31 1HB ARG 31 -3.339 9.863 -0.046 242 HG2 ARG 31 2HG ARG 31 -3.700 11.665 -1.019 243 HG3 ARG 31 1HG ARG 31 -5.025 10.622 -1.484 244 HD2 ARG 31 2HD ARG 31 -5.951 12.873 -1.130 245 HD3 ARG 31 1HD ARG 31 -6.579 11.742 0.067 246 HE ARG 31 HE ARG 31 -4.421 12.845 1.284 247 HH11 ARG 31 1HH1 ARG 31 -7.298 14.237 -0.234 248 HH12 ARG 31 2HH1 ARG 31 -7.412 15.583 0.793 249 HH21 ARG 31 1HH2 ARG 31 -4.544 14.718 2.751 250 HH22 ARG 31 2HH2 ARG 31 -5.780 15.862 2.557 251 H VAL 32 H VAL 32 -7.099 9.738 -0.409 252 HA VAL 32 HA VAL 32 -6.562 8.072 -2.777 253 HB VAL 32 HB VAL 32 -9.280 9.192 -1.919 254 HG11 VAL 32 1HG1 VAL 32 -9.081 8.918 -4.331 255 HG12 VAL 32 2HG1 VAL 32 -10.217 7.743 -3.670 256 HG13 VAL 32 3HG1 VAL 32 -8.588 7.238 -4.116 257 HG21 VAL 32 1HG2 VAL 32 -9.938 6.882 -1.376 258 HG22 VAL 32 2HG2 VAL 32 -8.598 7.434 -0.369 259 HG23 VAL 32 3HG2 VAL 32 -8.295 6.341 -1.719 260 H LYS 33 H LYS 33 -5.945 9.111 -4.440 261 HA LYS 33 HA LYS 33 -5.811 12.011 -4.315 262 HB2 LYS 33 2HB LYS 33 -4.147 10.230 -4.204 263 HB3 LYS 33 1HB LYS 33 -4.330 9.974 -5.919 264 HG2 LYS 33 2HG LYS 33 -3.242 12.047 -6.358 265 HG3 LYS 33 1HG LYS 33 -3.517 12.628 -4.695 266 HD2 LYS 33 2HD LYS 33 -2.259 10.818 -3.835 267 HD3 LYS 33 1HD LYS 33 -1.907 10.165 -5.352 268 HE2 LYS 33 2HE LYS 33 -0.556 12.244 -5.941 269 HE3 LYS 33 1HE LYS 33 -1.000 12.946 -4.392 270 HZ1 LYS 33 1HZ LYS 33 0.794 10.509 -4.695 271 HZ2 LYS 33 2HZ LYS 33 0.381 11.169 -3.261 272 HZ3 LYS 33 3HZ LYS 33 1.277 12.047 -4.315 273 H SER 34 H SER 34 -4.988 11.920 -7.133 274 HA SER 34 HA SER 34 -7.113 12.884 -8.256 275 HB2 SER 34 2HB SER 34 -4.871 11.556 -9.736 276 HB3 SER 34 1HB SER 34 -5.803 12.974 -10.232 277 HG SER 34 HG SER 34 -4.518 14.156 -9.093 278 H GLY 35 H GLY 35 -9.027 11.669 -8.339 279 HA2 GLY 35 2HA GLY 35 -10.589 10.495 -9.565 280 HA3 GLY 35 1HA GLY 35 -9.291 9.856 -10.560 281 H GLY 36 H GLY 36 -7.982 8.199 -9.608 282 HA2 GLY 36 2HA GLY 36 -9.256 6.601 -7.511 283 HA3 GLY 36 1HA GLY 36 -9.065 5.860 -9.103 284 H ARG 37 H ARG 37 -6.881 8.158 -7.806 285 HA ARG 37 HA ARG 37 -4.670 6.210 -7.902 286 HB2 ARG 37 2HB ARG 37 -4.827 8.217 -9.104 287 HB3 ARG 37 1HB ARG 37 -4.626 9.190 -7.623 288 HG2 ARG 37 2HG ARG 37 -2.683 7.282 -8.960 289 HG3 ARG 37 1HG ARG 37 -2.512 9.030 -8.816 290 HD2 ARG 37 2HD ARG 37 -2.708 8.590 -6.359 291 HD3 ARG 37 1HD ARG 37 -2.375 6.962 -6.683 292 HE ARG 37 HE ARG 37 -0.460 8.467 -8.075 293 HH11 ARG 37 1HH1 ARG 37 -1.099 7.187 -4.825 294 HH12 ARG 37 2HH1 ARG 37 0.468 7.540 -4.246 295 HH21 ARG 37 1HH2 ARG 37 1.773 8.892 -7.214 296 HH22 ARG 37 2HH2 ARG 37 2.033 8.557 -5.556 297 H VAL 38 H VAL 38 -4.888 5.170 -6.472 298 HA VAL 38 HA VAL 38 -5.419 6.134 -3.779 299 HB VAL 38 HB VAL 38 -4.388 3.404 -4.397 300 HG11 VAL 38 1HG1 VAL 38 -4.354 3.961 -2.049 301 HG12 VAL 38 2HG1 VAL 38 -5.581 2.729 -2.343 302 HG13 VAL 38 3HG1 VAL 38 -6.060 4.409 -2.101 303 HG21 VAL 38 1HG2 VAL 38 -7.281 4.277 -4.424 304 HG22 VAL 38 2HG2 VAL 38 -6.737 2.601 -4.507 305 HG23 VAL 38 3HG2 VAL 38 -6.342 3.722 -5.810 306 H VAL 39 H VAL 39 -4.053 6.655 -2.348 307 HA VAL 39 HA VAL 39 -1.186 6.513 -2.841 308 HB VAL 39 HB VAL 39 -2.798 7.982 -0.765 309 HG11 VAL 39 1HG1 VAL 39 0.060 8.360 -1.523 310 HG12 VAL 39 2HG1 VAL 39 -0.492 7.507 -0.083 311 HG13 VAL 39 3HG1 VAL 39 -0.813 9.240 -0.267 312 HG21 VAL 39 1HG2 VAL 39 -2.299 9.964 -2.032 313 HG22 VAL 39 2HG2 VAL 39 -3.284 8.795 -2.924 314 HG23 VAL 39 3HG2 VAL 39 -1.560 8.960 -3.282 315 H VAL 40 H VAL 40 -0.236 4.797 -1.833 316 HA VAL 40 HA VAL 40 -1.046 4.397 0.899 317 HB VAL 40 HB VAL 40 -0.490 1.961 0.731 318 HG11 VAL 40 1HG1 VAL 40 -2.477 1.178 -0.468 319 HG12 VAL 40 2HG1 VAL 40 -2.669 2.784 -1.174 320 HG13 VAL 40 3HG1 VAL 40 -2.815 2.562 0.570 321 HG21 VAL 40 1HG2 VAL 40 -0.308 2.469 -2.233 322 HG22 VAL 40 2HG2 VAL 40 -0.323 0.874 -1.477 323 HG23 VAL 40 3HG2 VAL 40 1.007 1.988 -1.162 324 H GLN 41 H GLN 41 0.735 3.735 2.134 325 HA GLN 41 HA GLN 41 3.334 4.134 0.884 326 HB2 GLN 41 2HB GLN 41 2.602 6.242 1.825 327 HB3 GLN 41 1HB GLN 41 2.270 5.471 3.342 328 HG2 GLN 41 2HG GLN 41 4.732 4.929 3.539 329 HG3 GLN 41 1HG GLN 41 4.964 5.929 2.109 330 HE21 GLN 41 1HE2 GLN 41 4.797 8.107 2.261 331 HE22 GLN 41 2HE2 GLN 41 4.669 8.937 3.770 332 H SER 42 H SER 42 4.622 2.678 1.505 333 HA SER 42 HA SER 42 3.900 0.779 3.576 334 HB2 SER 42 2HB SER 42 6.299 1.001 1.762 335 HB3 SER 42 1HB SER 42 5.948 -0.392 2.781 336 HG SER 42 HG SER 42 5.266 -0.619 0.626 337 H ASP 43 H ASP 43 5.831 0.184 5.134 338 HA ASP 43 HA ASP 43 6.267 2.601 6.578 339 HB2 ASP 43 2HB ASP 43 6.913 -0.254 7.247 340 HB3 ASP 43 1HB ASP 43 7.480 1.071 8.259 341 H GLN 44 H GLN 44 7.976 1.239 4.184 342 HA GLN 44 HA GLN 44 10.585 2.154 4.986 343 HB2 GLN 44 2HB GLN 44 9.653 1.809 2.119 344 HB3 GLN 44 1HB GLN 44 11.303 1.823 2.697 345 HG2 GLN 44 2HG GLN 44 10.938 -0.410 2.255 346 HG3 GLN 44 1HG GLN 44 10.600 -0.322 3.984 347 HE21 GLN 44 1HE2 GLN 44 9.223 -0.570 0.812 348 HE22 GLN 44 2HE2 GLN 44 7.702 -1.161 1.236 349 H GLY 45 H GLY 45 7.732 3.653 4.116 350 HA2 GLY 45 2HA GLY 45 7.382 5.942 4.265 351 HA3 GLY 45 1HA GLY 45 9.074 6.225 3.913 352 H ARG 46 H ARG 46 8.193 4.014 1.612 353 HA ARG 46 HA ARG 46 8.082 6.063 -0.312 354 HB2 ARG 46 2HB ARG 46 8.100 4.248 -1.886 355 HB3 ARG 46 1HB ARG 46 9.389 4.058 -0.713 356 HG2 ARG 46 2HG ARG 46 8.086 2.330 0.425 357 HG3 ARG 46 1HG ARG 46 6.763 2.567 -0.716 358 HD2 ARG 46 2HD ARG 46 9.545 1.594 -1.379 359 HD3 ARG 46 1HD ARG 46 8.080 0.614 -1.291 360 HE ARG 46 HE ARG 46 7.866 2.790 -3.135 361 HH11 ARG 46 1HH1 ARG 46 8.789 -0.625 -2.817 362 HH12 ARG 46 2HH1 ARG 46 8.866 -0.957 -4.472 363 HH21 ARG 46 1HH2 ARG 46 7.953 2.356 -5.488 364 HH22 ARG 46 2HH2 ARG 46 8.387 0.797 -6.029 365 H GLU 47 H GLU 47 6.319 6.956 -1.111 366 HA GLU 47 HA GLU 47 3.688 5.819 -0.629 367 HB2 GLU 47 2HB GLU 47 4.063 8.329 -0.558 368 HB3 GLU 47 1HB GLU 47 4.509 8.278 -2.260 369 HG2 GLU 47 2HG GLU 47 2.153 7.092 -2.474 370 HG3 GLU 47 1HG GLU 47 1.867 7.959 -0.973 371 H PHE 48 H PHE 48 2.493 4.952 -2.361 372 HA PHE 48 HA PHE 48 3.356 5.375 -5.025 373 HB2 PHE 48 2HB PHE 48 3.381 2.904 -5.632 374 HB3 PHE 48 1HB PHE 48 4.772 3.493 -4.742 375 HD1 PHE 48 HD1 PHE 48 4.933 2.986 -2.298 376 HD2 PHE 48 HD2 PHE 48 2.077 1.122 -4.839 377 HE1 PHE 48 HE1 PHE 48 4.676 1.185 -0.669 378 HE2 PHE 48 HE2 PHE 48 1.809 -0.691 -3.196 379 HZ PHE 48 HZ PHE 48 3.127 -0.646 -1.099 380 H THR 49 H THR 49 1.906 4.326 -6.581 381 HA THR 49 HA THR 49 -0.741 4.904 -5.664 382 HB THR 49 HB THR 49 -0.137 6.018 -7.690 383 HG1 THR 49 HG1 THR 49 -2.119 4.074 -7.839 384 HG21 THR 49 1HG2 THR 49 0.430 3.308 -8.912 385 HG22 THR 49 2HG2 THR 49 1.627 4.546 -8.531 386 HG23 THR 49 3HG2 THR 49 0.427 4.837 -9.790 387 H ALA 50 H ALA 50 -1.965 3.441 -4.974 388 HA ALA 50 HA ALA 50 -1.461 0.654 -5.653 389 HB1 ALA 50 1HB ALA 50 -1.648 1.237 -3.300 390 HB2 ALA 50 2HB ALA 50 -2.937 0.146 -3.800 391 HB3 ALA 50 3HB ALA 50 -3.274 1.861 -3.572 392 H ARG 51 H ARG 51 -3.280 -0.717 -6.110 393 HA ARG 51 HA ARG 51 -5.643 0.541 -7.285 394 HB2 ARG 51 2HB ARG 51 -3.892 -1.558 -8.607 395 HB3 ARG 51 1HB ARG 51 -5.539 -1.234 -9.129 396 HG2 ARG 51 2HG ARG 51 -4.128 -0.161 -10.682 397 HG3 ARG 51 1HG ARG 51 -4.697 1.135 -9.634 398 HD2 ARG 51 2HD ARG 51 -2.627 1.130 -8.422 399 HD3 ARG 51 1HD ARG 51 -2.081 -0.304 -9.284 400 HE ARG 51 HE ARG 51 -2.675 2.063 -10.836 401 HH11 ARG 51 1HH1 ARG 51 -0.263 -0.025 -9.327 402 HH12 ARG 51 2HH1 ARG 51 1.061 0.513 -10.235 403 HH21 ARG 51 1HH2 ARG 51 -0.855 2.863 -12.157 404 HH22 ARG 51 2HH2 ARG 51 0.705 2.226 -11.925 405 H GLY 52 H GLY 52 -7.400 -1.183 -7.487 406 HA2 GLY 52 2HA GLY 52 -7.537 -2.651 -5.054 407 HA3 GLY 52 1HA GLY 52 -8.719 -2.705 -6.347 408 H ASN 53 H ASN 53 -5.954 -3.448 -7.809 409 HA ASN 53 HA ASN 53 -6.371 -6.324 -7.500 410 HB2 ASN 53 2HB ASN 53 -4.706 -4.792 -9.516 411 HB3 ASN 53 1HB ASN 53 -4.923 -6.536 -9.507 412 HD21 ASN 53 1HD2 ASN 53 -7.764 -6.318 -8.765 413 HD22 ASN 53 2HD2 ASN 53 -8.563 -5.802 -10.206 414 H GLN 54 H GLN 54 -4.441 -3.893 -6.289 415 HA GLN 54 HA GLN 54 -2.174 -5.685 -5.792 416 HB2 GLN 54 2HB GLN 54 -2.385 -2.700 -5.976 417 HB3 GLN 54 1HB GLN 54 -1.022 -3.506 -5.236 418 HG2 GLN 54 2HG GLN 54 -0.519 -4.592 -7.368 419 HG3 GLN 54 1HG GLN 54 -1.910 -3.785 -8.100 420 HE21 GLN 54 1HE2 GLN 54 1.233 -3.293 -6.659 421 HE22 GLN 54 2HE2 GLN 54 1.503 -1.733 -7.322 422 H VAL 55 H VAL 55 -4.946 -4.596 -4.350 423 HA VAL 55 HA VAL 55 -3.649 -4.394 -1.730 424 HB VAL 55 HB VAL 55 -5.974 -2.658 -2.574 425 HG11 VAL 55 1HG1 VAL 55 -4.259 -2.584 -0.117 426 HG12 VAL 55 2HG1 VAL 55 -5.940 -3.099 -0.227 427 HG13 VAL 55 3HG1 VAL 55 -5.514 -1.413 -0.519 428 HG21 VAL 55 1HG2 VAL 55 -3.080 -1.829 -2.358 429 HG22 VAL 55 2HG2 VAL 55 -4.447 -0.733 -2.530 430 HG23 VAL 55 3HG2 VAL 55 -4.070 -1.879 -3.815 431 H ARG 56 H ARG 56 -4.591 -5.451 -0.185 432 HA ARG 56 HA ARG 56 -7.261 -6.503 -0.635 433 HB2 ARG 56 2HB ARG 56 -4.848 -7.872 0.356 434 HB3 ARG 56 1HB ARG 56 -6.450 -8.566 0.283 435 HG2 ARG 56 2HG ARG 56 -5.012 -7.545 -2.124 436 HG3 ARG 56 1HG ARG 56 -4.874 -9.215 -1.651 437 HD2 ARG 56 2HD ARG 56 -7.304 -7.662 -2.556 438 HD3 ARG 56 1HD ARG 56 -6.598 -9.096 -3.307 439 HE ARG 56 HE ARG 56 -7.299 -9.973 -0.842 440 HH11 ARG 56 1HH1 ARG 56 -9.186 -8.418 -3.456 441 HH12 ARG 56 2HH1 ARG 56 -10.631 -9.038 -2.791 442 HH21 ARG 56 1HH2 ARG 56 -9.173 -10.702 -0.120 443 HH22 ARG 56 2HH2 ARG 56 -10.673 -10.365 -0.847 444 H LEU 57 H LEU 57 -8.389 -6.005 1.096 445 HA LEU 57 HA LEU 57 -7.016 -5.460 3.618 446 HB2 LEU 57 2HB LEU 57 -8.957 -4.211 4.410 447 HB3 LEU 57 1HB LEU 57 -8.351 -3.533 2.921 448 HG LEU 57 HG LEU 57 -10.619 -5.422 2.942 449 HD11 LEU 57 1HD1 LEU 57 -11.187 -3.589 4.516 450 HD12 LEU 57 2HD1 LEU 57 -12.138 -3.408 3.043 451 HD13 LEU 57 3HD1 LEU 57 -10.720 -2.394 3.307 452 HD21 LEU 57 1HD2 LEU 57 -9.678 -4.899 0.767 453 HD22 LEU 57 2HD2 LEU 57 -9.833 -3.173 1.085 454 HD23 LEU 57 3HD2 LEU 57 -11.275 -4.169 0.901 455 H ILE 58 H ILE 58 -6.986 -6.861 5.073 456 HA ILE 58 HA ILE 58 -7.064 -8.959 5.726 457 HB ILE 58 HB ILE 58 -8.878 -9.300 7.278 458 HG12 ILE 58 2HG1 ILE 58 -9.717 -6.489 6.502 459 HG13 ILE 58 1HG1 ILE 58 -10.643 -7.951 6.204 460 HG21 ILE 58 1HG2 ILE 58 -8.059 -7.489 8.839 461 HG22 ILE 58 2HG2 ILE 58 -7.291 -6.727 7.447 462 HG23 ILE 58 3HG2 ILE 58 -6.770 -8.327 7.975 463 HD11 ILE 58 1HD1 ILE 58 -9.981 -6.786 8.907 464 HD12 ILE 58 2HD1 ILE 58 -10.920 -8.251 8.625 465 HD13 ILE 58 3HD1 ILE 58 -11.539 -6.690 8.087 466 H GLU 59 H GLU 59 -7.158 -9.863 3.709 467 HA GLU 59 HA GLU 59 -8.503 -12.221 3.568 468 HB2 GLU 59 2HB GLU 59 -10.537 -10.774 3.109 469 HB3 GLU 59 1HB GLU 59 -9.730 -10.169 1.677 470 HG2 GLU 59 2HG GLU 59 -9.834 -12.354 0.647 471 HG3 GLU 59 1HG GLU 59 -10.496 -13.054 2.127 Start of MODEL 2 1 H1 SER 1 1H SER 1 -12.857 -3.469 -4.159 2 H2 SER 1 2H SER 1 -11.395 -2.780 -3.667 3 H3 SER 1 3H SER 1 -12.643 -3.058 -2.563 4 HA SER 1 HA SER 1 -11.225 -5.193 -3.940 5 HB2 SER 1 2HB SER 1 -9.758 -4.087 -2.303 6 HB3 SER 1 1HB SER 1 -11.023 -4.186 -1.081 7 HG SER 1 HG SER 1 -10.800 -6.396 -1.028 8 H ASN 2 H ASN 2 -13.344 -4.378 -1.113 9 HA ASN 2 HA ASN 2 -14.416 -7.113 -1.436 10 HB2 ASN 2 2HB ASN 2 -14.263 -5.532 1.127 11 HB3 ASN 2 1HB ASN 2 -14.810 -7.191 0.945 12 HD21 ASN 2 1HD2 ASN 2 -12.731 -6.228 2.645 13 HD22 ASN 2 2HD2 ASN 2 -11.289 -7.040 2.159 14 H ALA 3 H ALA 3 -15.305 -3.935 -1.859 15 HA ALA 3 HA ALA 3 -18.017 -4.705 -1.208 16 HB1 ALA 3 1HB ALA 3 -18.616 -2.333 -1.258 17 HB2 ALA 3 2HB ALA 3 -16.967 -1.922 -1.728 18 HB3 ALA 3 3HB ALA 3 -17.282 -2.609 -0.135 19 H MET 4 H MET 4 -16.436 -2.697 -3.567 20 HA MET 4 HA MET 4 -17.294 -4.258 -5.776 21 HB2 MET 4 2HB MET 4 -18.944 -2.687 -6.821 22 HB3 MET 4 1HB MET 4 -19.527 -3.467 -5.359 23 HG2 MET 4 2HG MET 4 -19.035 -1.439 -4.086 24 HG3 MET 4 1HG MET 4 -18.443 -0.675 -5.554 25 HE1 MET 4 1HE MET 4 -20.028 1.386 -5.097 26 HE2 MET 4 2HE MET 4 -20.617 0.604 -3.632 27 HE3 MET 4 3HE MET 4 -21.763 1.247 -4.809 28 H GLU 5 H GLU 5 -15.983 -1.361 -4.646 29 HA GLU 5 HA GLU 5 -14.368 -1.189 -7.075 30 HB2 GLU 5 2HB GLU 5 -14.596 1.390 -6.924 31 HB3 GLU 5 1HB GLU 5 -15.806 0.452 -7.763 32 HG2 GLU 5 2HG GLU 5 -16.621 2.329 -6.275 33 HG3 GLU 5 1HG GLU 5 -17.412 0.781 -6.064 34 H LEU 6 H LEU 6 -14.026 1.283 -5.249 35 HA LEU 6 HA LEU 6 -11.313 0.387 -4.495 36 HB2 LEU 6 2HB LEU 6 -12.315 3.162 -5.002 37 HB3 LEU 6 1HB LEU 6 -10.740 2.640 -4.395 38 HG LEU 6 HG LEU 6 -11.846 1.923 -7.128 39 HD11 LEU 6 1HD1 LEU 6 -9.805 4.026 -6.426 40 HD12 LEU 6 2HD1 LEU 6 -11.451 4.321 -6.988 41 HD13 LEU 6 3HD1 LEU 6 -10.284 3.539 -8.053 42 HD21 LEU 6 1HD2 LEU 6 -9.077 1.615 -5.954 43 HD22 LEU 6 2HD2 LEU 6 -9.528 1.253 -7.618 44 HD23 LEU 6 3HD2 LEU 6 -10.216 0.310 -6.300 45 H ASP 7 H ASP 7 -13.376 -0.110 -3.071 46 HA ASP 7 HA ASP 7 -14.066 1.368 -0.805 47 HB2 ASP 7 2HB ASP 7 -14.693 -0.866 0.141 48 HB3 ASP 7 1HB ASP 7 -15.421 -0.410 -1.405 49 H LEU 8 H LEU 8 -11.316 1.544 -0.987 50 HA LEU 8 HA LEU 8 -10.319 0.302 1.498 51 HB2 LEU 8 2HB LEU 8 -8.796 1.738 -0.714 52 HB3 LEU 8 1HB LEU 8 -8.083 1.066 0.726 53 HG LEU 8 HG LEU 8 -7.500 -0.385 -1.010 54 HD11 LEU 8 1HD1 LEU 8 -8.143 -1.589 0.928 55 HD12 LEU 8 2HD1 LEU 8 -8.556 -2.507 -0.521 56 HD13 LEU 8 3HD1 LEU 8 -9.818 -1.663 0.377 57 HD21 LEU 8 1HD2 LEU 8 -9.032 0.350 -2.747 58 HD22 LEU 8 2HD2 LEU 8 -10.377 -0.435 -1.922 59 HD23 LEU 8 3HD2 LEU 8 -9.076 -1.409 -2.606 60 H GLN 9 H GLN 9 -9.629 1.844 3.155 61 HA GLN 9 HA GLN 9 -10.506 4.530 2.499 62 HB2 GLN 9 2HB GLN 9 -10.773 3.027 5.089 63 HB3 GLN 9 1HB GLN 9 -11.076 4.745 4.940 64 HG2 GLN 9 2HG GLN 9 -12.554 2.621 3.396 65 HG3 GLN 9 1HG GLN 9 -13.145 3.385 4.870 66 HE21 GLN 9 1HE2 GLN 9 -12.478 3.853 1.458 67 HE22 GLN 9 2HE2 GLN 9 -13.379 5.315 1.317 68 HA PRO 10 HA PRO 10 -6.507 5.873 3.722 69 HB2 PRO 10 2HB PRO 10 -7.272 8.408 4.714 70 HB3 PRO 10 1HB PRO 10 -6.746 8.020 3.082 71 HG2 PRO 10 2HG PRO 10 -9.341 8.803 3.807 72 HG3 PRO 10 1HG PRO 10 -8.792 8.216 2.231 73 HD2 PRO 10 2HD PRO 10 -10.301 6.770 4.311 74 HD3 PRO 10 1HD PRO 10 -10.156 6.428 2.592 75 H GLY 11 H GLY 11 -5.311 5.562 5.452 76 HA2 GLY 11 2HA GLY 11 -4.775 5.908 7.758 77 HA3 GLY 11 1HA GLY 11 -6.500 5.894 8.119 78 H ASP 12 H ASP 12 -6.367 3.609 5.946 79 HA ASP 12 HA ASP 12 -6.619 1.486 7.837 80 HB2 ASP 12 2HB ASP 12 -7.729 1.854 5.426 81 HB3 ASP 12 1HB ASP 12 -6.297 1.004 4.907 82 H VAL 13 H VAL 13 -5.421 -0.527 7.601 83 HA VAL 13 HA VAL 13 -2.587 -0.123 6.963 84 HB VAL 13 HB VAL 13 -3.645 -1.754 9.313 85 HG11 VAL 13 1HG1 VAL 13 -1.594 -2.658 8.376 86 HG12 VAL 13 2HG1 VAL 13 -1.295 -1.962 9.968 87 HG13 VAL 13 3HG1 VAL 13 -0.816 -1.082 8.517 88 HG21 VAL 13 1HG2 VAL 13 -2.211 0.907 9.351 89 HG22 VAL 13 2HG2 VAL 13 -2.618 -0.057 10.770 90 HG23 VAL 13 3HG2 VAL 13 -3.901 0.630 9.774 91 H VAL 14 H VAL 14 -2.549 -1.181 5.139 92 HA VAL 14 HA VAL 14 -4.016 -3.731 4.852 93 HB VAL 14 HB VAL 14 -4.209 -3.133 2.466 94 HG11 VAL 14 1HG1 VAL 14 -6.007 -2.506 4.054 95 HG12 VAL 14 2HG1 VAL 14 -5.885 -1.395 2.692 96 HG13 VAL 14 3HG1 VAL 14 -5.230 -0.940 4.265 97 HG21 VAL 14 1HG2 VAL 14 -2.224 -1.710 2.302 98 HG22 VAL 14 2HG2 VAL 14 -3.008 -0.494 3.306 99 HG23 VAL 14 3HG2 VAL 14 -3.658 -0.866 1.711 100 H LYS 15 H LYS 15 -3.137 -4.935 2.920 101 HA LYS 15 HA LYS 15 -0.226 -4.816 2.875 102 HB2 LYS 15 2HB LYS 15 -0.525 -7.200 1.961 103 HB3 LYS 15 1HB LYS 15 -0.673 -6.975 3.686 104 HG2 LYS 15 2HG LYS 15 -3.084 -7.000 3.489 105 HG3 LYS 15 1HG LYS 15 -2.970 -7.145 1.743 106 HD2 LYS 15 2HD LYS 15 -1.804 -9.248 2.019 107 HD3 LYS 15 1HD LYS 15 -1.944 -9.133 3.780 108 HE2 LYS 15 2HE LYS 15 -4.419 -9.060 3.500 109 HE3 LYS 15 1HE LYS 15 -4.192 -9.331 1.776 110 HZ1 LYS 15 1HZ LYS 15 -4.737 -11.343 2.870 111 HZ2 LYS 15 2HZ LYS 15 -3.634 -11.205 4.007 112 HZ3 LYS 15 3HZ LYS 15 -3.125 -11.542 2.395 113 H VAL 16 H VAL 16 0.639 -4.310 1.065 114 HA VAL 16 HA VAL 16 -0.975 -4.426 -1.370 115 HB VAL 16 HB VAL 16 0.905 -2.168 -0.582 116 HG11 VAL 16 1HG1 VAL 16 -0.749 -2.532 -3.079 117 HG12 VAL 16 2HG1 VAL 16 1.012 -2.587 -2.974 118 HG13 VAL 16 3HG1 VAL 16 0.149 -1.078 -2.656 119 HG21 VAL 16 1HG2 VAL 16 -1.069 -0.739 -0.580 120 HG22 VAL 16 2HG2 VAL 16 -1.253 -2.072 0.571 121 HG23 VAL 16 3HG2 VAL 16 -2.072 -2.131 -0.985 122 H LEU 17 H LEU 17 0.046 -5.310 -2.974 123 HA LEU 17 HA LEU 17 2.757 -6.173 -2.478 124 HB2 LEU 17 2HB LEU 17 1.227 -7.851 -3.324 125 HB3 LEU 17 1HB LEU 17 0.843 -6.926 -4.732 126 HG LEU 17 HG LEU 17 3.624 -8.044 -4.229 127 HD11 LEU 17 1HD1 LEU 17 1.320 -9.332 -5.692 128 HD12 LEU 17 2HD1 LEU 17 2.016 -9.879 -4.165 129 HD13 LEU 17 3HD1 LEU 17 2.977 -9.935 -5.642 130 HD21 LEU 17 1HD2 LEU 17 2.188 -7.278 -6.781 131 HD22 LEU 17 2HD2 LEU 17 3.832 -7.909 -6.664 132 HD23 LEU 17 3HD2 LEU 17 3.445 -6.327 -5.988 133 H GLU 18 H GLU 18 3.901 -4.507 -2.506 134 HA GLU 18 HA GLU 18 3.835 -2.304 -4.277 135 HB2 GLU 18 2HB GLU 18 4.784 -2.276 -1.989 136 HB3 GLU 18 1HB GLU 18 6.078 -3.331 -2.526 137 HG2 GLU 18 2HG GLU 18 6.763 -1.569 -4.120 138 HG3 GLU 18 1HG GLU 18 5.557 -0.504 -3.396 139 H SER 19 H SER 19 5.980 -5.055 -4.003 140 HA SER 19 HA SER 19 6.730 -4.735 -6.813 141 HB2 SER 19 2HB SER 19 8.543 -3.847 -5.341 142 HB3 SER 19 1HB SER 19 8.564 -5.412 -4.544 143 HG SER 19 HG SER 19 9.705 -4.661 -6.884 144 H ALA 20 H ALA 20 7.150 -6.713 -7.836 145 HA ALA 20 HA ALA 20 5.815 -8.981 -6.757 146 HB1 ALA 20 1HB ALA 20 6.553 -10.126 -8.792 147 HB2 ALA 20 2HB ALA 20 7.636 -8.783 -9.161 148 HB3 ALA 20 3HB ALA 20 5.889 -8.536 -9.171 149 H ALA 21 H ALA 21 8.981 -7.745 -6.510 150 HA ALA 21 HA ALA 21 10.165 -10.299 -5.799 151 HB1 ALA 21 1HB ALA 21 11.473 -8.710 -7.132 152 HB2 ALA 21 2HB ALA 21 12.251 -9.041 -5.584 153 HB3 ALA 21 3HB ALA 21 11.373 -7.531 -5.824 154 H LEU 22 H LEU 22 8.548 -7.723 -4.282 155 HA LEU 22 HA LEU 22 9.693 -8.450 -1.673 156 HB2 LEU 22 2HB LEU 22 8.012 -6.057 -2.427 157 HB3 LEU 22 1HB LEU 22 8.593 -6.404 -0.814 158 HG LEU 22 HG LEU 22 10.330 -5.766 -3.205 159 HD11 LEU 22 1HD1 LEU 22 9.095 -3.834 -2.407 160 HD12 LEU 22 2HD1 LEU 22 10.809 -3.693 -2.020 161 HD13 LEU 22 3HD1 LEU 22 9.655 -4.140 -0.763 162 HD21 LEU 22 1HD2 LEU 22 12.161 -5.671 -1.571 163 HD22 LEU 22 2HD2 LEU 22 11.467 -7.284 -1.675 164 HD23 LEU 22 3HD2 LEU 22 11.064 -6.238 -0.311 165 H GLY 23 H GLY 23 6.702 -8.310 -3.494 166 HA2 GLY 23 2HA GLY 23 4.888 -9.719 -3.181 167 HA3 GLY 23 1HA GLY 23 5.554 -10.173 -1.618 168 H TRP 24 H TRP 24 3.427 -9.901 -0.885 169 HA TRP 24 HA TRP 24 2.179 -7.367 -0.710 170 HB2 TRP 24 2HB TRP 24 1.759 -9.918 0.856 171 HB3 TRP 24 1HB TRP 24 0.714 -8.505 0.941 172 HD1 TRP 24 HD1 TRP 24 1.533 -11.486 -1.276 173 HE1 TRP 24 HE1 TRP 24 -0.203 -11.591 -3.183 174 HE3 TRP 24 HE3 TRP 24 -0.785 -7.030 -0.475 175 HZ2 TRP 24 HZ2 TRP 24 -2.287 -9.963 -4.216 176 HZ3 TRP 24 HZ3 TRP 24 -2.607 -6.368 -1.957 177 HH2 TRP 24 HH2 TRP 24 -3.347 -7.805 -3.790 178 H VAL 25 H VAL 25 3.218 -5.802 0.304 179 HA VAL 25 HA VAL 25 4.464 -6.404 2.876 180 HB VAL 25 HB VAL 25 5.688 -4.267 2.649 181 HG11 VAL 25 1HG1 VAL 25 7.213 -4.908 0.834 182 HG12 VAL 25 2HG1 VAL 25 6.019 -6.072 0.261 183 HG13 VAL 25 3HG1 VAL 25 6.765 -6.282 1.845 184 HG21 VAL 25 1HG2 VAL 25 4.089 -3.023 1.283 185 HG22 VAL 25 2HG2 VAL 25 4.410 -4.089 -0.085 186 HG23 VAL 25 3HG2 VAL 25 5.681 -3.027 0.521 187 H ARG 26 H ARG 26 4.198 -4.621 4.493 188 HA ARG 26 HA ARG 26 1.377 -4.079 4.647 189 HB2 ARG 26 2HB ARG 26 2.789 -4.761 6.603 190 HB3 ARG 26 1HB ARG 26 3.514 -3.153 6.566 191 HG2 ARG 26 2HG ARG 26 1.146 -2.258 6.782 192 HG3 ARG 26 1HG ARG 26 0.665 -3.911 7.157 193 HD2 ARG 26 2HD ARG 26 2.592 -2.166 8.672 194 HD3 ARG 26 1HD ARG 26 1.020 -2.734 9.206 195 HE ARG 26 HE ARG 26 1.962 -4.984 9.214 196 HH11 ARG 26 1HH1 ARG 26 4.233 -2.248 9.233 197 HH12 ARG 26 2HH1 ARG 26 5.429 -2.990 10.155 198 HH21 ARG 26 1HH2 ARG 26 3.656 -6.108 10.519 199 HH22 ARG 26 2HH2 ARG 26 5.090 -5.281 10.910 200 H ALA 27 H ALA 27 0.460 -2.291 4.109 201 HA ALA 27 HA ALA 27 2.047 0.129 3.787 202 HB1 ALA 27 1HB ALA 27 0.985 0.623 1.659 203 HB2 ALA 27 2HB ALA 27 0.100 -0.900 1.728 204 HB3 ALA 27 3HB ALA 27 1.856 -0.909 1.558 205 H ARG 28 H ARG 28 0.743 2.001 3.669 206 HA ARG 28 HA ARG 28 -1.773 1.658 5.147 207 HB2 ARG 28 2HB ARG 28 0.214 2.359 6.490 208 HB3 ARG 28 1HB ARG 28 0.336 3.775 5.474 209 HG2 ARG 28 2HG ARG 28 -1.655 4.686 6.358 210 HG3 ARG 28 1HG ARG 28 -2.093 3.154 7.127 211 HD2 ARG 28 2HD ARG 28 0.343 4.813 7.810 212 HD3 ARG 28 1HD ARG 28 -1.144 4.741 8.760 213 HE ARG 28 HE ARG 28 -0.682 2.509 9.317 214 HH11 ARG 28 1HH1 ARG 28 2.131 4.040 7.644 215 HH12 ARG 28 2HH1 ARG 28 3.159 2.730 8.084 216 HH21 ARG 28 1HH2 ARG 28 0.980 0.777 9.858 217 HH22 ARG 28 2HH2 ARG 28 2.560 1.035 9.214 218 H VAL 29 H VAL 29 -3.399 2.504 4.144 219 HA VAL 29 HA VAL 29 -3.114 4.053 1.692 220 HB VAL 29 HB VAL 29 -5.587 3.628 3.378 221 HG11 VAL 29 1HG1 VAL 29 -5.240 4.212 0.428 222 HG12 VAL 29 2HG1 VAL 29 -5.769 5.360 1.654 223 HG13 VAL 29 3HG1 VAL 29 -6.786 3.978 1.244 224 HG21 VAL 29 1HG2 VAL 29 -4.652 1.435 2.868 225 HG22 VAL 29 2HG2 VAL 29 -4.589 1.838 1.152 226 HG23 VAL 29 3HG2 VAL 29 -6.143 1.698 1.969 227 H ILE 30 H ILE 30 -2.666 5.992 1.597 228 HA ILE 30 HA ILE 30 -2.907 7.574 3.995 229 HB ILE 30 HB ILE 30 -1.661 8.291 1.327 230 HG12 ILE 30 2HG1 ILE 30 -0.428 6.461 2.384 231 HG13 ILE 30 1HG1 ILE 30 0.525 7.936 2.422 232 HG21 ILE 30 1HG2 ILE 30 -2.328 10.284 2.532 233 HG22 ILE 30 2HG2 ILE 30 -0.571 10.146 2.515 234 HG23 ILE 30 3HG2 ILE 30 -1.473 9.729 3.971 235 HD11 ILE 30 1HD1 ILE 30 -1.015 6.748 4.730 236 HD12 ILE 30 2HD1 ILE 30 -0.092 8.249 4.781 237 HD13 ILE 30 3HD1 ILE 30 0.734 6.716 4.506 238 H ARG 31 H ARG 31 -4.008 7.552 0.556 239 HA ARG 31 HA ARG 31 -6.314 9.031 1.323 240 HB2 ARG 31 2HB ARG 31 -4.654 10.667 0.844 241 HB3 ARG 31 1HB ARG 31 -4.117 9.616 -0.459 242 HG2 ARG 31 2HG ARG 31 -4.972 11.351 -1.320 243 HG3 ARG 31 1HG ARG 31 -6.037 10.002 -1.671 244 HD2 ARG 31 2HD ARG 31 -7.455 11.958 -1.155 245 HD3 ARG 31 1HD ARG 31 -7.639 10.703 0.063 246 HE ARG 31 HE ARG 31 -5.666 12.365 1.001 247 HH11 ARG 31 1HH1 ARG 31 -9.087 12.734 0.164 248 HH12 ARG 31 2HH1 ARG 31 -9.416 13.942 1.308 249 HH21 ARG 31 1HH2 ARG 31 -6.094 14.043 2.627 250 HH22 ARG 31 2HH2 ARG 31 -7.645 14.708 2.762 251 H VAL 32 H VAL 32 -7.785 8.731 -0.203 252 HA VAL 32 HA VAL 32 -7.266 6.934 -2.470 253 HB VAL 32 HB VAL 32 -9.968 7.407 -1.125 254 HG11 VAL 32 1HG1 VAL 32 -10.156 6.818 -3.486 255 HG12 VAL 32 2HG1 VAL 32 -10.751 5.506 -2.468 256 HG13 VAL 32 3HG1 VAL 32 -9.160 5.387 -3.220 257 HG21 VAL 32 1HG2 VAL 32 -9.794 5.124 -0.239 258 HG22 VAL 32 2HG2 VAL 32 -8.516 6.169 0.385 259 HG23 VAL 32 3HG2 VAL 32 -8.160 5.005 -0.891 260 H LYS 33 H LYS 33 -7.678 7.695 -4.417 261 HA LYS 33 HA LYS 33 -8.460 10.512 -4.615 262 HB2 LYS 33 2HB LYS 33 -6.251 9.361 -4.546 263 HB3 LYS 33 1HB LYS 33 -6.509 8.948 -6.183 264 HG2 LYS 33 2HG LYS 33 -6.516 11.227 -6.861 265 HG3 LYS 33 1HG LYS 33 -6.547 11.786 -5.167 266 HD2 LYS 33 2HD LYS 33 -4.517 10.741 -4.696 267 HD3 LYS 33 1HD LYS 33 -4.484 9.937 -6.210 268 HE2 LYS 33 2HE LYS 33 -2.919 11.903 -6.252 269 HE3 LYS 33 1HE LYS 33 -4.226 12.128 -7.409 270 HZ1 LYS 33 1HZ LYS 33 -4.090 13.354 -4.693 271 HZ2 LYS 33 2HZ LYS 33 -5.341 13.575 -5.809 272 HZ3 LYS 33 3HZ LYS 33 -3.797 14.146 -6.156 273 H SER 34 H SER 34 -8.500 10.644 -7.263 274 HA SER 34 HA SER 34 -9.938 8.369 -7.789 275 HB2 SER 34 2HB SER 34 -11.466 10.276 -7.848 276 HB3 SER 34 1HB SER 34 -10.483 11.068 -9.077 277 HG SER 34 HG SER 34 -12.522 9.728 -9.609 278 H GLY 35 H GLY 35 -10.098 8.408 -10.598 279 HA2 GLY 35 2HA GLY 35 -8.828 7.921 -12.505 280 HA3 GLY 35 1HA GLY 35 -7.442 8.683 -11.720 281 H GLY 36 H GLY 36 -9.135 6.410 -9.903 282 HA2 GLY 36 2HA GLY 36 -8.657 4.305 -9.120 283 HA3 GLY 36 1HA GLY 36 -7.754 4.030 -10.608 284 H ARG 37 H ARG 37 -7.042 6.728 -8.609 285 HA ARG 37 HA ARG 37 -4.341 5.686 -8.034 286 HB2 ARG 37 2HB ARG 37 -4.985 7.719 -9.219 287 HB3 ARG 37 1HB ARG 37 -5.299 8.456 -7.618 288 HG2 ARG 37 2HG ARG 37 -2.694 7.452 -8.798 289 HG3 ARG 37 1HG ARG 37 -3.103 9.114 -8.395 290 HD2 ARG 37 2HD ARG 37 -3.382 8.240 -6.031 291 HD3 ARG 37 1HD ARG 37 -2.601 6.816 -6.581 292 HE ARG 37 HE ARG 37 -1.099 9.184 -7.276 293 HH11 ARG 37 1HH1 ARG 37 -1.312 6.550 -4.868 294 HH12 ARG 37 2HH1 ARG 37 0.116 7.022 -4.080 295 HH21 ARG 37 1HH2 ARG 37 0.997 9.728 -6.080 296 HH22 ARG 37 2HH2 ARG 37 1.359 8.763 -4.732 297 H VAL 38 H VAL 38 -4.243 4.745 -6.573 298 HA VAL 38 HA VAL 38 -5.532 5.627 -4.067 299 HB VAL 38 HB VAL 38 -4.131 2.992 -4.367 300 HG11 VAL 38 1HG1 VAL 38 -4.510 3.752 -2.095 301 HG12 VAL 38 2HG1 VAL 38 -5.471 2.313 -2.430 302 HG13 VAL 38 3HG1 VAL 38 -6.238 3.900 -2.414 303 HG21 VAL 38 1HG2 VAL 38 -7.085 3.468 -4.823 304 HG22 VAL 38 2HG2 VAL 38 -6.323 1.881 -4.719 305 HG23 VAL 38 3HG2 VAL 38 -5.911 2.971 -6.042 306 H VAL 39 H VAL 39 -4.319 6.410 -2.619 307 HA VAL 39 HA VAL 39 -1.439 6.588 -3.109 308 HB VAL 39 HB VAL 39 -3.165 8.123 -1.158 309 HG11 VAL 39 1HG1 VAL 39 -0.371 8.738 -2.092 310 HG12 VAL 39 2HG1 VAL 39 -0.814 8.094 -0.519 311 HG13 VAL 39 3HG1 VAL 39 -1.328 9.721 -0.981 312 HG21 VAL 39 1HG2 VAL 39 -3.041 10.029 -2.716 313 HG22 VAL 39 2HG2 VAL 39 -3.882 8.640 -3.406 314 HG23 VAL 39 3HG2 VAL 39 -2.222 8.992 -3.884 315 H VAL 40 H VAL 40 -0.275 5.092 -2.023 316 HA VAL 40 HA VAL 40 -1.067 4.505 0.709 317 HB VAL 40 HB VAL 40 -0.600 2.092 0.447 318 HG11 VAL 40 1HG1 VAL 40 -2.571 1.390 -0.820 319 HG12 VAL 40 2HG1 VAL 40 -2.699 3.018 -1.484 320 HG13 VAL 40 3HG1 VAL 40 -2.916 2.753 0.245 321 HG21 VAL 40 1HG2 VAL 40 -0.394 1.055 -1.773 322 HG22 VAL 40 2HG2 VAL 40 0.939 2.157 -1.423 323 HG23 VAL 40 3HG2 VAL 40 -0.361 2.661 -2.503 324 H GLN 41 H GLN 41 0.652 4.001 1.987 325 HA GLN 41 HA GLN 41 3.266 4.125 0.702 326 HB2 GLN 41 2HB GLN 41 2.807 6.298 1.668 327 HB3 GLN 41 1HB GLN 41 2.385 5.561 3.195 328 HG2 GLN 41 2HG GLN 41 4.732 4.794 3.446 329 HG3 GLN 41 1HG GLN 41 5.110 5.578 1.919 330 HE21 GLN 41 1HE2 GLN 41 5.273 7.782 1.833 331 HE22 GLN 41 2HE2 GLN 41 5.322 8.754 3.263 332 H SER 42 H SER 42 4.332 2.410 1.068 333 HA SER 42 HA SER 42 3.714 0.412 2.991 334 HB2 SER 42 2HB SER 42 6.193 1.013 1.382 335 HB3 SER 42 1HB SER 42 5.986 -0.481 2.295 336 HG SER 42 HG SER 42 5.448 -0.240 -0.100 337 H ASP 43 H ASP 43 4.966 -0.176 4.852 338 HA ASP 43 HA ASP 43 5.653 2.031 6.449 339 HB2 ASP 43 2HB ASP 43 6.058 -0.914 6.940 340 HB3 ASP 43 1HB ASP 43 6.719 0.267 8.058 341 H GLN 44 H GLN 44 7.326 1.005 4.020 342 HA GLN 44 HA GLN 44 10.052 1.308 4.987 343 HB2 GLN 44 2HB GLN 44 8.964 1.239 2.189 344 HB3 GLN 44 1HB GLN 44 10.658 1.078 2.634 345 HG2 GLN 44 2HG GLN 44 10.087 -1.070 3.739 346 HG3 GLN 44 1HG GLN 44 8.427 -0.882 3.166 347 HE21 GLN 44 1HE2 GLN 44 8.007 -1.018 0.855 348 HE22 GLN 44 2HE2 GLN 44 9.143 -1.747 -0.167 349 H GLY 45 H GLY 45 7.466 3.332 4.282 350 HA2 GLY 45 2HA GLY 45 7.392 5.650 4.249 351 HA3 GLY 45 1HA GLY 45 9.136 5.701 4.045 352 H ARG 46 H ARG 46 7.679 3.552 1.931 353 HA ARG 46 HA ARG 46 8.180 5.290 -0.298 354 HB2 ARG 46 2HB ARG 46 7.996 2.332 0.186 355 HB3 ARG 46 1HB ARG 46 7.946 2.994 -1.447 356 HG2 ARG 46 2HG ARG 46 10.125 3.699 -1.285 357 HG3 ARG 46 1HG ARG 46 10.075 3.740 0.476 358 HD2 ARG 46 2HD ARG 46 11.413 1.905 -0.241 359 HD3 ARG 46 1HD ARG 46 9.960 1.309 0.522 360 HE ARG 46 HE ARG 46 9.145 0.601 -1.568 361 HH11 ARG 46 1HH1 ARG 46 12.456 1.820 -1.790 362 HH12 ARG 46 2HH1 ARG 46 12.918 0.776 -3.060 363 HH21 ARG 46 1HH2 ARG 46 9.737 -0.811 -3.150 364 HH22 ARG 46 2HH2 ARG 46 11.275 -0.824 -3.931 365 H GLU 47 H GLU 47 6.459 6.409 -0.975 366 HA GLU 47 HA GLU 47 3.748 5.305 -0.782 367 HB2 GLU 47 2HB GLU 47 4.418 7.726 -0.119 368 HB3 GLU 47 1HB GLU 47 4.561 8.013 -1.841 369 HG2 GLU 47 2HG GLU 47 2.023 7.024 -0.542 370 HG3 GLU 47 1HG GLU 47 2.390 8.711 -0.750 371 H PHE 48 H PHE 48 2.523 5.352 -2.699 372 HA PHE 48 HA PHE 48 3.587 5.552 -5.272 373 HB2 PHE 48 2HB PHE 48 3.738 3.120 -5.912 374 HB3 PHE 48 1HB PHE 48 5.018 3.667 -4.843 375 HD1 PHE 48 HD1 PHE 48 2.336 1.309 -5.317 376 HD2 PHE 48 HD2 PHE 48 4.883 3.082 -2.417 377 HE1 PHE 48 HE1 PHE 48 1.850 -0.525 -3.755 378 HE2 PHE 48 HE2 PHE 48 4.401 1.272 -0.864 379 HZ PHE 48 HZ PHE 48 2.914 -0.525 -1.490 380 H THR 49 H THR 49 2.121 5.236 -6.824 381 HA THR 49 HA THR 49 -0.548 5.171 -5.930 382 HB THR 49 HB THR 49 -0.194 6.688 -7.660 383 HG1 THR 49 HG1 THR 49 -1.519 4.424 -8.686 384 HG21 THR 49 1HG2 THR 49 0.960 4.466 -9.365 385 HG22 THR 49 2HG2 THR 49 1.860 5.807 -8.655 386 HG23 THR 49 3HG2 THR 49 0.668 6.115 -9.918 387 H ALA 50 H ALA 50 -1.120 3.360 -5.191 388 HA ALA 50 HA ALA 50 -0.660 0.892 -6.657 389 HB1 ALA 50 1HB ALA 50 -2.130 1.354 -4.063 390 HB2 ALA 50 2HB ALA 50 -0.445 0.858 -4.222 391 HB3 ALA 50 3HB ALA 50 -1.736 -0.216 -4.762 392 H ARG 51 H ARG 51 -2.401 -0.489 -7.216 393 HA ARG 51 HA ARG 51 -4.843 0.999 -7.876 394 HB2 ARG 51 2HB ARG 51 -3.788 -1.581 -9.067 395 HB3 ARG 51 1HB ARG 51 -5.240 -0.739 -9.581 396 HG2 ARG 51 2HG ARG 51 -2.399 0.265 -9.831 397 HG3 ARG 51 1HG ARG 51 -3.418 -0.327 -11.141 398 HD2 ARG 51 2HD ARG 51 -4.993 1.545 -10.701 399 HD3 ARG 51 1HD ARG 51 -3.892 2.141 -9.461 400 HE ARG 51 HE ARG 51 -2.398 1.892 -11.737 401 HH11 ARG 51 1HH1 ARG 51 -5.093 3.838 -10.617 402 HH12 ARG 51 2HH1 ARG 51 -4.978 5.076 -11.764 403 HH21 ARG 51 1HH2 ARG 51 -2.091 3.637 -13.350 404 HH22 ARG 51 2HH2 ARG 51 -3.157 4.965 -13.360 405 H GLY 52 H GLY 52 -6.874 -0.319 -7.672 406 HA2 GLY 52 2HA GLY 52 -6.998 -1.321 -5.007 407 HA3 GLY 52 1HA GLY 52 -8.331 -1.283 -6.133 408 H ASN 53 H ASN 53 -5.897 -2.939 -7.587 409 HA ASN 53 HA ASN 53 -6.932 -5.538 -6.691 410 HB2 ASN 53 2HB ASN 53 -5.375 -4.773 -9.176 411 HB3 ASN 53 1HB ASN 53 -5.804 -6.425 -8.756 412 HD21 ASN 53 1HD2 ASN 53 -8.455 -5.741 -7.749 413 HD22 ASN 53 2HD2 ASN 53 -9.386 -5.354 -9.155 414 H GLN 54 H GLN 54 -4.419 -3.422 -6.254 415 HA GLN 54 HA GLN 54 -2.409 -5.476 -5.710 416 HB2 GLN 54 2HB GLN 54 -2.322 -2.489 -5.935 417 HB3 GLN 54 1HB GLN 54 -0.965 -3.409 -5.341 418 HG2 GLN 54 2HG GLN 54 -0.822 -4.557 -7.493 419 HG3 GLN 54 1HG GLN 54 -2.215 -3.631 -8.062 420 HE21 GLN 54 1HE2 GLN 54 1.141 -3.432 -7.078 421 HE22 GLN 54 2HE2 GLN 54 1.430 -1.897 -7.798 422 H VAL 55 H VAL 55 -4.901 -3.969 -4.202 423 HA VAL 55 HA VAL 55 -3.474 -3.850 -1.635 424 HB VAL 55 HB VAL 55 -5.978 -2.308 -2.222 425 HG11 VAL 55 1HG1 VAL 55 -5.305 -0.906 -0.329 426 HG12 VAL 55 2HG1 VAL 55 -3.938 -1.991 -0.066 427 HG13 VAL 55 3HG1 VAL 55 -5.583 -2.600 0.070 428 HG21 VAL 55 1HG2 VAL 55 -4.650 -0.237 -2.550 429 HG22 VAL 55 2HG2 VAL 55 -4.370 -1.426 -3.821 430 HG23 VAL 55 3HG2 VAL 55 -3.175 -1.204 -2.546 431 H ARG 56 H ARG 56 -4.244 -5.014 -0.120 432 HA ARG 56 HA ARG 56 -6.958 -5.966 -0.267 433 HB2 ARG 56 2HB ARG 56 -4.450 -7.493 0.336 434 HB3 ARG 56 1HB ARG 56 -6.085 -8.103 0.527 435 HG2 ARG 56 2HG ARG 56 -5.159 -7.032 -2.077 436 HG3 ARG 56 1HG ARG 56 -4.730 -8.663 -1.656 437 HD2 ARG 56 2HD ARG 56 -7.528 -7.483 -1.885 438 HD3 ARG 56 1HD ARG 56 -6.748 -8.564 -3.048 439 HE ARG 56 HE ARG 56 -6.787 -10.281 -1.338 440 HH11 ARG 56 1HH1 ARG 56 -9.157 -7.606 -1.016 441 HH12 ARG 56 2HH1 ARG 56 -10.078 -8.463 0.131 442 HH21 ARG 56 1HH2 ARG 56 -8.233 -11.420 0.255 443 HH22 ARG 56 2HH2 ARG 56 -9.541 -10.498 0.849 444 H LEU 57 H LEU 57 -7.810 -5.859 1.751 445 HA LEU 57 HA LEU 57 -6.544 -4.370 3.822 446 HB2 LEU 57 2HB LEU 57 -8.975 -6.156 4.038 447 HB3 LEU 57 1HB LEU 57 -8.505 -4.926 5.185 448 HG LEU 57 HG LEU 57 -9.445 -4.431 2.356 449 HD11 LEU 57 1HD1 LEU 57 -10.803 -3.965 5.005 450 HD12 LEU 57 2HD1 LEU 57 -11.229 -5.197 3.818 451 HD13 LEU 57 3HD1 LEU 57 -11.430 -3.491 3.426 452 HD21 LEU 57 1HD2 LEU 57 -7.865 -2.731 3.061 453 HD22 LEU 57 2HD2 LEU 57 -8.751 -2.501 4.568 454 HD23 LEU 57 3HD2 LEU 57 -9.498 -2.069 3.029 455 H ILE 58 H ILE 58 -6.909 -5.534 6.196 456 HA ILE 58 HA ILE 58 -4.975 -7.612 6.244 457 HB ILE 58 HB ILE 58 -5.509 -7.787 8.704 458 HG12 ILE 58 2HG1 ILE 58 -7.065 -5.234 8.154 459 HG13 ILE 58 1HG1 ILE 58 -7.765 -6.769 8.648 460 HG21 ILE 58 1HG2 ILE 58 -4.505 -5.169 7.587 461 HG22 ILE 58 2HG2 ILE 58 -3.555 -6.623 7.898 462 HG23 ILE 58 3HG2 ILE 58 -4.246 -5.716 9.243 463 HD11 ILE 58 1HD1 ILE 58 -5.894 -5.064 10.283 464 HD12 ILE 58 2HD1 ILE 58 -6.596 -6.601 10.792 465 HD13 ILE 58 3HD1 ILE 58 -7.637 -5.208 10.506 466 H GLU 59 H GLU 59 -5.929 -8.976 4.945 467 HA GLU 59 HA GLU 59 -7.476 -11.071 6.193 468 HB2 GLU 59 2HB GLU 59 -8.970 -11.139 4.108 469 HB3 GLU 59 1HB GLU 59 -9.249 -9.770 5.175 470 HG2 GLU 59 2HG GLU 59 -7.819 -8.386 3.686 471 HG3 GLU 59 1HG GLU 59 -7.695 -9.754 2.592 Start of MODEL 3 1 H1 SER 1 1H SER 1 -19.416 2.168 -4.907 2 H2 SER 1 2H SER 1 -20.498 3.515 -4.825 3 H3 SER 1 3H SER 1 -18.848 3.682 -5.125 4 HA SER 1 HA SER 1 -20.594 2.236 -6.963 5 HB2 SER 1 2HB SER 1 -19.510 5.057 -7.152 6 HB3 SER 1 1HB SER 1 -20.540 4.243 -8.335 7 HG SER 1 HG SER 1 -21.724 5.631 -6.933 8 H ASN 2 H ASN 2 -19.159 0.684 -7.634 9 HA ASN 2 HA ASN 2 -16.341 1.336 -7.579 10 HB2 ASN 2 2HB ASN 2 -17.486 -0.916 -6.794 11 HB3 ASN 2 1HB ASN 2 -17.365 -1.319 -8.504 12 HD21 ASN 2 1HD2 ASN 2 -15.999 -2.503 -6.189 13 HD22 ASN 2 2HD2 ASN 2 -14.308 -2.333 -6.511 14 H ALA 3 H ALA 3 -14.977 1.032 -9.103 15 HA ALA 3 HA ALA 3 -15.352 0.736 -11.779 16 HB1 ALA 3 1HB ALA 3 -15.263 3.644 -10.883 17 HB2 ALA 3 2HB ALA 3 -16.589 2.874 -11.752 18 HB3 ALA 3 3HB ALA 3 -15.034 3.112 -12.549 19 H MET 4 H MET 4 -13.899 2.419 -9.173 20 HA MET 4 HA MET 4 -11.375 1.091 -9.412 21 HB2 MET 4 2HB MET 4 -10.008 3.146 -9.491 22 HB3 MET 4 1HB MET 4 -10.998 3.011 -10.934 23 HG2 MET 4 2HG MET 4 -12.543 4.660 -10.065 24 HG3 MET 4 1HG MET 4 -11.639 4.744 -8.554 25 HE1 MET 4 1HE MET 4 -10.014 6.214 -12.627 26 HE2 MET 4 2HE MET 4 -11.624 5.528 -12.407 27 HE3 MET 4 3HE MET 4 -10.197 4.503 -12.250 28 H GLU 5 H GLU 5 -13.551 1.091 -7.618 29 HA GLU 5 HA GLU 5 -12.945 2.891 -5.457 30 HB2 GLU 5 2HB GLU 5 -15.273 2.644 -6.293 31 HB3 GLU 5 1HB GLU 5 -15.203 0.931 -5.917 32 HG2 GLU 5 2HG GLU 5 -15.219 1.371 -3.584 33 HG3 GLU 5 1HG GLU 5 -14.958 3.098 -3.846 34 H LEU 6 H LEU 6 -12.904 1.821 -3.284 35 HA LEU 6 HA LEU 6 -11.359 -0.604 -3.445 36 HB2 LEU 6 2HB LEU 6 -10.658 1.913 -1.963 37 HB3 LEU 6 1HB LEU 6 -9.790 0.400 -1.870 38 HG LEU 6 HG LEU 6 -10.056 2.121 -4.311 39 HD11 LEU 6 1HD1 LEU 6 -7.720 1.657 -2.445 40 HD12 LEU 6 2HD1 LEU 6 -8.655 3.146 -2.583 41 HD13 LEU 6 3HD1 LEU 6 -7.663 2.599 -3.935 42 HD21 LEU 6 1HD2 LEU 6 -9.814 -0.210 -4.907 43 HD22 LEU 6 2HD2 LEU 6 -8.429 -0.369 -3.828 44 HD23 LEU 6 3HD2 LEU 6 -8.320 0.656 -5.257 45 H ASP 7 H ASP 7 -11.596 -1.797 -1.632 46 HA ASP 7 HA ASP 7 -13.573 -1.029 0.309 47 HB2 ASP 7 2HB ASP 7 -13.421 -3.342 1.059 48 HB3 ASP 7 1HB ASP 7 -13.652 -3.315 -0.683 49 H LEU 8 H LEU 8 -10.872 -0.118 -0.096 50 HA LEU 8 HA LEU 8 -9.675 -0.416 2.580 51 HB2 LEU 8 2HB LEU 8 -8.364 0.718 0.092 52 HB3 LEU 8 1HB LEU 8 -7.623 0.353 1.632 53 HG LEU 8 HG LEU 8 -6.806 -1.264 0.210 54 HD11 LEU 8 1HD1 LEU 8 -7.493 -2.266 2.219 55 HD12 LEU 8 2HD1 LEU 8 -7.705 -3.394 0.880 56 HD13 LEU 8 3HD1 LEU 8 -9.104 -2.564 1.568 57 HD21 LEU 8 1HD2 LEU 8 -8.141 -2.650 -1.331 58 HD22 LEU 8 2HD2 LEU 8 -8.167 -0.937 -1.728 59 HD23 LEU 8 3HD2 LEU 8 -9.561 -1.679 -0.934 60 H GLN 9 H GLN 9 -9.316 1.559 3.707 61 HA GLN 9 HA GLN 9 -10.541 3.902 2.423 62 HB2 GLN 9 2HB GLN 9 -10.569 3.033 5.302 63 HB3 GLN 9 1HB GLN 9 -11.086 4.623 4.792 64 HG2 GLN 9 2HG GLN 9 -12.305 2.038 3.839 65 HG3 GLN 9 1HG GLN 9 -12.979 3.079 5.095 66 HE21 GLN 9 1HE2 GLN 9 -12.319 2.776 1.671 67 HE22 GLN 9 2HE2 GLN 9 -13.369 4.063 1.188 68 HA PRO 10 HA PRO 10 -6.804 6.067 3.361 69 HB2 PRO 10 2HB PRO 10 -7.675 8.614 3.862 70 HB3 PRO 10 1HB PRO 10 -7.529 7.916 2.250 71 HG2 PRO 10 2HG PRO 10 -9.978 8.521 3.693 72 HG3 PRO 10 1HG PRO 10 -9.744 8.167 1.975 73 HD2 PRO 10 2HD PRO 10 -10.715 6.431 4.004 74 HD3 PRO 10 1HD PRO 10 -10.513 6.058 2.300 75 H GLY 11 H GLY 11 -5.649 5.862 5.089 76 HA2 GLY 11 2HA GLY 11 -5.027 6.479 7.335 77 HA3 GLY 11 1HA GLY 11 -6.744 6.593 7.729 78 H ASP 12 H ASP 12 -6.229 4.070 5.715 79 HA ASP 12 HA ASP 12 -7.021 2.049 7.563 80 HB2 ASP 12 2HB ASP 12 -7.270 2.419 4.937 81 HB3 ASP 12 1HB ASP 12 -5.827 1.422 4.918 82 H VAL 13 H VAL 13 -5.731 -0.141 7.119 83 HA VAL 13 HA VAL 13 -2.827 0.105 7.198 84 HB VAL 13 HB VAL 13 -4.373 -1.525 9.277 85 HG11 VAL 13 1HG1 VAL 13 -2.297 -2.587 8.611 86 HG12 VAL 13 2HG1 VAL 13 -2.176 -1.995 10.269 87 HG13 VAL 13 3HG1 VAL 13 -1.403 -1.106 8.957 88 HG21 VAL 13 1HG2 VAL 13 -3.434 -0.031 10.996 89 HG22 VAL 13 2HG2 VAL 13 -4.471 0.848 9.871 90 HG23 VAL 13 3HG2 VAL 13 -2.718 0.967 9.729 91 H VAL 14 H VAL 14 -2.303 -1.147 5.514 92 HA VAL 14 HA VAL 14 -3.996 -3.470 4.956 93 HB VAL 14 HB VAL 14 -4.004 -2.858 2.568 94 HG11 VAL 14 1HG1 VAL 14 -5.640 -1.046 2.678 95 HG12 VAL 14 2HG1 VAL 14 -5.159 -0.719 4.342 96 HG13 VAL 14 3HG1 VAL 14 -5.929 -2.248 3.937 97 HG21 VAL 14 1HG2 VAL 14 -3.374 -0.602 1.854 98 HG22 VAL 14 2HG2 VAL 14 -1.992 -1.470 2.527 99 HG23 VAL 14 3HG2 VAL 14 -2.812 -0.242 3.487 100 H LYS 15 H LYS 15 -3.054 -4.685 3.113 101 HA LYS 15 HA LYS 15 -0.115 -4.633 3.059 102 HB2 LYS 15 2HB LYS 15 -0.470 -7.044 2.120 103 HB3 LYS 15 1HB LYS 15 -0.599 -6.793 3.854 104 HG2 LYS 15 2HG LYS 15 -2.957 -6.881 3.762 105 HG3 LYS 15 1HG LYS 15 -2.946 -6.785 2.004 106 HD2 LYS 15 2HD LYS 15 -2.075 -8.946 1.800 107 HD3 LYS 15 1HD LYS 15 -1.695 -9.054 3.523 108 HE2 LYS 15 2HE LYS 15 -4.513 -8.561 2.704 109 HE3 LYS 15 1HE LYS 15 -3.887 -10.257 2.622 110 HZ1 LYS 15 1HZ LYS 15 -3.379 -9.646 5.104 111 HZ2 LYS 15 2HZ LYS 15 -4.901 -10.000 4.578 112 HZ3 LYS 15 3HZ LYS 15 -4.481 -8.370 4.745 113 H VAL 16 H VAL 16 0.831 -4.336 1.175 114 HA VAL 16 HA VAL 16 -0.894 -4.094 -1.178 115 HB VAL 16 HB VAL 16 0.548 -2.195 -1.922 116 HG11 VAL 16 1HG1 VAL 16 -0.976 -1.871 0.650 117 HG12 VAL 16 2HG1 VAL 16 -1.598 -1.699 -0.999 118 HG13 VAL 16 3HG1 VAL 16 -0.447 -0.530 -0.358 119 HG21 VAL 16 1HG2 VAL 16 2.512 -2.602 -0.556 120 HG22 VAL 16 2HG2 VAL 16 1.573 -2.330 0.908 121 HG23 VAL 16 3HG2 VAL 16 1.863 -0.994 -0.205 122 H LEU 17 H LEU 17 -0.279 -5.201 -2.823 123 HA LEU 17 HA LEU 17 2.348 -6.452 -2.890 124 HB2 LEU 17 2HB LEU 17 0.392 -7.813 -3.402 125 HB3 LEU 17 1HB LEU 17 -0.121 -6.709 -4.637 126 HG LEU 17 HG LEU 17 2.113 -7.378 -5.820 127 HD11 LEU 17 1HD1 LEU 17 2.949 -9.541 -5.284 128 HD12 LEU 17 2HD1 LEU 17 1.846 -9.635 -3.906 129 HD13 LEU 17 3HD1 LEU 17 3.108 -8.398 -3.948 130 HD21 LEU 17 1HD2 LEU 17 1.044 -9.323 -6.831 131 HD22 LEU 17 2HD2 LEU 17 -0.105 -7.999 -6.639 132 HD23 LEU 17 3HD2 LEU 17 -0.136 -9.363 -5.520 133 H GLU 18 H GLU 18 3.660 -4.717 -3.307 134 HA GLU 18 HA GLU 18 3.119 -2.660 -5.169 135 HB2 GLU 18 2HB GLU 18 4.807 -2.423 -3.396 136 HB3 GLU 18 1HB GLU 18 5.793 -3.661 -4.161 137 HG2 GLU 18 2HG GLU 18 6.032 -2.241 -6.133 138 HG3 GLU 18 1HG GLU 18 5.102 -0.977 -5.350 139 H SER 19 H SER 19 5.374 -5.330 -5.394 140 HA SER 19 HA SER 19 4.750 -5.685 -8.182 141 HB2 SER 19 2HB SER 19 7.458 -4.956 -7.091 142 HB3 SER 19 1HB SER 19 7.258 -5.704 -8.692 143 HG SER 19 HG SER 19 5.721 -3.454 -8.060 144 H ALA 20 H ALA 20 5.544 -7.752 -8.958 145 HA ALA 20 HA ALA 20 5.077 -9.807 -7.080 146 HB1 ALA 20 1HB ALA 20 4.455 -9.968 -9.445 147 HB2 ALA 20 2HB ALA 20 5.440 -11.338 -8.929 148 HB3 ALA 20 3HB ALA 20 6.161 -10.041 -9.882 149 H ALA 21 H ALA 21 7.944 -8.181 -7.857 150 HA ALA 21 HA ALA 21 9.691 -10.392 -7.168 151 HB1 ALA 21 1HB ALA 21 11.511 -8.831 -7.629 152 HB2 ALA 21 2HB ALA 21 10.351 -7.512 -7.788 153 HB3 ALA 21 3HB ALA 21 10.343 -8.837 -8.952 154 H LEU 22 H LEU 22 7.810 -8.435 -5.415 155 HA LEU 22 HA LEU 22 9.647 -8.466 -3.120 156 HB2 LEU 22 2HB LEU 22 7.736 -6.237 -3.834 157 HB3 LEU 22 1HB LEU 22 8.599 -6.354 -2.318 158 HG LEU 22 HG LEU 22 9.868 -5.970 -5.035 159 HD11 LEU 22 1HD1 LEU 22 9.486 -4.066 -2.734 160 HD12 LEU 22 2HD1 LEU 22 8.646 -4.010 -4.284 161 HD13 LEU 22 3HD1 LEU 22 10.385 -3.732 -4.213 162 HD21 LEU 22 1HD2 LEU 22 11.335 -7.209 -3.522 163 HD22 LEU 22 2HD2 LEU 22 11.088 -5.990 -2.271 164 HD23 LEU 22 3HD2 LEU 22 11.931 -5.566 -3.761 165 H GLY 23 H GLY 23 6.261 -7.981 -4.071 166 HA2 GLY 23 2HA GLY 23 4.570 -9.503 -3.412 167 HA3 GLY 23 1HA GLY 23 5.526 -9.902 -1.988 168 H TRP 24 H TRP 24 3.235 -9.503 -1.230 169 HA TRP 24 HA TRP 24 2.184 -6.981 -0.767 170 HB2 TRP 24 2HB TRP 24 2.029 -9.466 0.948 171 HB3 TRP 24 1HB TRP 24 0.977 -8.067 1.080 172 HD1 TRP 24 HD1 TRP 24 1.536 -11.211 -0.995 173 HE1 TRP 24 HE1 TRP 24 -0.477 -11.523 -2.587 174 HE3 TRP 24 HE3 TRP 24 -0.769 -6.752 -0.243 175 HZ2 TRP 24 HZ2 TRP 24 -2.781 -10.016 -3.417 176 HZ3 TRP 24 HZ3 TRP 24 -2.826 -6.258 -1.465 177 HH2 TRP 24 HH2 TRP 24 -3.793 -7.868 -3.024 178 H VAL 25 H VAL 25 3.184 -5.356 0.222 179 HA VAL 25 HA VAL 25 4.872 -5.900 2.580 180 HB VAL 25 HB VAL 25 4.738 -3.115 1.381 181 HG11 VAL 25 1HG1 VAL 25 5.923 -3.363 3.401 182 HG12 VAL 25 2HG1 VAL 25 7.024 -2.954 2.088 183 HG13 VAL 25 3HG1 VAL 25 6.953 -4.607 2.692 184 HG21 VAL 25 1HG2 VAL 25 6.463 -5.309 0.201 185 HG22 VAL 25 2HG2 VAL 25 6.536 -3.598 -0.219 186 HG23 VAL 25 3HG2 VAL 25 5.098 -4.542 -0.609 187 H ARG 26 H ARG 26 4.557 -4.259 4.300 188 HA ARG 26 HA ARG 26 1.741 -3.948 4.960 189 HB2 ARG 26 2HB ARG 26 3.431 -4.580 6.621 190 HB3 ARG 26 1HB ARG 26 4.265 -3.053 6.354 191 HG2 ARG 26 2HG ARG 26 2.113 -1.942 7.127 192 HG3 ARG 26 1HG ARG 26 1.614 -3.546 7.675 193 HD2 ARG 26 2HD ARG 26 4.076 -2.027 8.532 194 HD3 ARG 26 1HD ARG 26 2.643 -2.331 9.503 195 HE ARG 26 HE ARG 26 3.214 -4.662 9.499 196 HH11 ARG 26 1HH1 ARG 26 5.813 -2.529 8.300 197 HH12 ARG 26 2HH1 ARG 26 7.079 -3.384 8.897 198 HH21 ARG 26 1HH2 ARG 26 5.052 -6.017 10.333 199 HH22 ARG 26 2HH2 ARG 26 6.647 -5.471 10.065 200 H ALA 27 H ALA 27 0.635 -2.052 4.734 201 HA ALA 27 HA ALA 27 2.051 0.453 4.470 202 HB1 ALA 27 1HB ALA 27 0.393 -0.550 2.167 203 HB2 ALA 27 2HB ALA 27 2.152 -0.412 2.172 204 HB3 ALA 27 3HB ALA 27 1.154 1.034 2.304 205 H ARG 28 H ARG 28 0.501 2.218 4.049 206 HA ARG 28 HA ARG 28 -2.150 1.557 5.112 207 HB2 ARG 28 2HB ARG 28 -0.497 3.991 5.829 208 HB3 ARG 28 1HB ARG 28 -2.126 3.641 6.386 209 HG2 ARG 28 2HG ARG 28 -1.198 1.584 7.493 210 HG3 ARG 28 1HG ARG 28 0.410 2.189 7.098 211 HD2 ARG 28 2HD ARG 28 -0.140 2.821 9.351 212 HD3 ARG 28 1HD ARG 28 -0.121 4.266 8.340 213 HE ARG 28 HE ARG 28 -2.719 3.273 8.371 214 HH11 ARG 28 1HH1 ARG 28 -0.446 4.717 10.650 215 HH12 ARG 28 2HH1 ARG 28 -1.629 5.401 11.671 216 HH21 ARG 28 1HH2 ARG 28 -4.393 4.222 9.739 217 HH22 ARG 28 2HH2 ARG 28 -3.971 5.097 11.121 218 H VAL 29 H VAL 29 -3.699 2.297 3.892 219 HA VAL 29 HA VAL 29 -3.136 3.861 1.509 220 HB VAL 29 HB VAL 29 -5.799 3.295 2.832 221 HG11 VAL 29 1HG1 VAL 29 -5.881 5.105 1.185 222 HG12 VAL 29 2HG1 VAL 29 -6.742 3.690 0.577 223 HG13 VAL 29 3HG1 VAL 29 -5.125 4.061 -0.020 224 HG21 VAL 29 1HG2 VAL 29 -4.735 1.176 2.348 225 HG22 VAL 29 2HG2 VAL 29 -4.417 1.688 0.687 226 HG23 VAL 29 3HG2 VAL 29 -6.069 1.451 1.227 227 H ILE 30 H ILE 30 -2.694 5.800 1.540 228 HA ILE 30 HA ILE 30 -3.345 7.359 3.873 229 HB ILE 30 HB ILE 30 -1.803 8.181 1.400 230 HG12 ILE 30 2HG1 ILE 30 -0.634 6.365 2.556 231 HG13 ILE 30 1HG1 ILE 30 0.244 7.874 2.749 232 HG21 ILE 30 1HG2 ILE 30 -2.001 9.541 4.085 233 HG22 ILE 30 2HG2 ILE 30 -2.696 10.107 2.568 234 HG23 ILE 30 3HG2 ILE 30 -0.944 10.040 2.762 235 HD11 ILE 30 1HD1 ILE 30 -0.667 8.089 5.022 236 HD12 ILE 30 2HD1 ILE 30 0.248 6.598 4.807 237 HD13 ILE 30 3HD1 ILE 30 -1.514 6.554 4.816 238 H ARG 31 H ARG 31 -4.002 7.335 0.359 239 HA ARG 31 HA ARG 31 -6.425 8.761 0.885 240 HB2 ARG 31 2HB ARG 31 -4.835 10.443 0.540 241 HB3 ARG 31 1HB ARG 31 -4.101 9.329 -0.607 242 HG2 ARG 31 2HG ARG 31 -4.879 11.087 -1.659 243 HG3 ARG 31 1HG ARG 31 -5.690 9.647 -2.205 244 HD2 ARG 31 2HD ARG 31 -7.407 11.342 -2.101 245 HD3 ARG 31 1HD ARG 31 -7.681 10.170 -0.830 246 HE ARG 31 HE ARG 31 -6.206 12.160 0.359 247 HH11 ARG 31 1HH1 ARG 31 -9.353 11.949 -1.255 248 HH12 ARG 31 2HH1 ARG 31 -10.095 13.185 -0.366 249 HH21 ARG 31 1HH2 ARG 31 -7.220 13.901 1.649 250 HH22 ARG 31 2HH2 ARG 31 -8.830 14.332 1.351 251 H VAL 32 H VAL 32 -7.778 8.178 -0.404 252 HA VAL 32 HA VAL 32 -7.238 6.489 -2.736 253 HB VAL 32 HB VAL 32 -8.892 5.453 -1.255 254 HG11 VAL 32 1HG1 VAL 32 -9.733 7.400 -0.098 255 HG12 VAL 32 2HG1 VAL 32 -11.074 6.472 -0.772 256 HG13 VAL 32 3HG1 VAL 32 -10.542 7.956 -1.562 257 HG21 VAL 32 1HG2 VAL 32 -10.783 5.143 -2.802 258 HG22 VAL 32 2HG2 VAL 32 -9.231 5.091 -3.640 259 HG23 VAL 32 3HG2 VAL 32 -10.233 6.536 -3.733 260 H LYS 33 H LYS 33 -7.084 7.486 -4.579 261 HA LYS 33 HA LYS 33 -8.420 10.065 -5.033 262 HB2 LYS 33 2HB LYS 33 -6.192 8.736 -5.524 263 HB3 LYS 33 1HB LYS 33 -6.389 9.426 -7.039 264 HG2 LYS 33 2HG LYS 33 -6.086 11.665 -6.101 265 HG3 LYS 33 1HG LYS 33 -6.513 11.108 -4.484 266 HD2 LYS 33 2HD LYS 33 -4.483 10.097 -4.150 267 HD3 LYS 33 1HD LYS 33 -3.994 10.065 -5.814 268 HE2 LYS 33 2HE LYS 33 -3.904 12.611 -5.705 269 HE3 LYS 33 1HE LYS 33 -4.293 12.490 -3.993 270 HZ1 LYS 33 1HZ LYS 33 -1.924 12.780 -4.348 271 HZ2 LYS 33 2HZ LYS 33 -1.848 11.391 -5.296 272 HZ3 LYS 33 3HZ LYS 33 -2.207 11.269 -3.655 273 H SER 34 H SER 34 -9.548 10.291 -6.743 274 HA SER 34 HA SER 34 -10.505 7.839 -7.718 275 HB2 SER 34 2HB SER 34 -11.761 10.571 -8.071 276 HB3 SER 34 1HB SER 34 -12.556 9.028 -8.404 277 HG SER 34 HG SER 34 -12.766 8.655 -6.320 278 H GLY 35 H GLY 35 -8.099 9.077 -8.708 279 HA2 GLY 35 2HA GLY 35 -8.718 9.246 -11.586 280 HA3 GLY 35 1HA GLY 35 -7.381 10.131 -10.842 281 H GLY 36 H GLY 36 -8.356 6.940 -9.917 282 HA2 GLY 36 2HA GLY 36 -7.288 4.915 -9.955 283 HA3 GLY 36 1HA GLY 36 -6.453 5.468 -11.401 284 H ARG 37 H ARG 37 -6.268 7.190 -8.399 285 HA ARG 37 HA ARG 37 -3.456 6.367 -8.225 286 HB2 ARG 37 2HB ARG 37 -4.057 8.451 -9.178 287 HB3 ARG 37 1HB ARG 37 -4.304 9.116 -7.534 288 HG2 ARG 37 2HG ARG 37 -1.755 8.098 -8.859 289 HG3 ARG 37 1HG ARG 37 -2.046 9.715 -8.225 290 HD2 ARG 37 2HD ARG 37 -2.321 8.643 -6.004 291 HD3 ARG 37 1HD ARG 37 -1.787 7.168 -6.698 292 HE ARG 37 HE ARG 37 0.114 9.210 -7.272 293 HH11 ARG 37 1HH1 ARG 37 -0.702 6.749 -4.798 294 HH12 ARG 37 2HH1 ARG 37 0.680 7.071 -3.870 295 HH21 ARG 37 1HH2 ARG 37 2.145 9.532 -5.864 296 HH22 ARG 37 2HH2 ARG 37 2.208 8.621 -4.434 297 H VAL 38 H VAL 38 -3.864 5.021 -7.031 298 HA VAL 38 HA VAL 38 -5.005 5.499 -4.378 299 HB VAL 38 HB VAL 38 -3.424 3.074 -5.122 300 HG11 VAL 38 1HG1 VAL 38 -4.733 1.945 -3.360 301 HG12 VAL 38 2HG1 VAL 38 -5.535 3.476 -3.016 302 HG13 VAL 38 3HG1 VAL 38 -3.799 3.315 -2.755 303 HG21 VAL 38 1HG2 VAL 38 -6.396 3.477 -5.508 304 HG22 VAL 38 2HG2 VAL 38 -5.568 1.928 -5.671 305 HG23 VAL 38 3HG2 VAL 38 -5.192 3.250 -6.777 306 H VAL 39 H VAL 39 -3.931 6.095 -2.752 307 HA VAL 39 HA VAL 39 -1.012 6.385 -2.969 308 HB VAL 39 HB VAL 39 -2.943 7.883 -1.188 309 HG11 VAL 39 1HG1 VAL 39 -0.700 7.757 -0.227 310 HG12 VAL 39 2HG1 VAL 39 -1.117 9.407 -0.690 311 HG13 VAL 39 3HG1 VAL 39 -0.031 8.453 -1.701 312 HG21 VAL 39 1HG2 VAL 39 -1.562 8.814 -3.686 313 HG22 VAL 39 2HG2 VAL 39 -2.576 9.805 -2.629 314 HG23 VAL 39 3HG2 VAL 39 -3.276 8.446 -3.512 315 H VAL 40 H VAL 40 0.054 4.934 -1.782 316 HA VAL 40 HA VAL 40 -0.996 4.333 0.849 317 HB VAL 40 HB VAL 40 -0.258 1.943 0.643 318 HG11 VAL 40 1HG1 VAL 40 -2.596 2.399 0.336 319 HG12 VAL 40 2HG1 VAL 40 -2.106 1.116 -0.773 320 HG13 VAL 40 3HG1 VAL 40 -2.340 2.762 -1.368 321 HG21 VAL 40 1HG2 VAL 40 0.087 2.586 -2.283 322 HG22 VAL 40 2HG2 VAL 40 0.135 0.965 -1.601 323 HG23 VAL 40 3HG2 VAL 40 1.363 2.150 -1.149 324 H GLN 41 H GLN 41 0.650 4.080 2.336 325 HA GLN 41 HA GLN 41 3.361 4.205 1.265 326 HB2 GLN 41 2HB GLN 41 2.688 6.451 1.973 327 HB3 GLN 41 1HB GLN 41 2.303 5.833 3.556 328 HG2 GLN 41 2HG GLN 41 4.702 5.264 3.912 329 HG3 GLN 41 1HG GLN 41 5.067 5.914 2.325 330 HE21 GLN 41 1HE2 GLN 41 5.027 8.127 2.011 331 HE22 GLN 41 2HE2 GLN 41 4.995 9.223 3.349 332 H SER 42 H SER 42 4.560 2.779 1.963 333 HA SER 42 HA SER 42 3.769 0.983 4.070 334 HB2 SER 42 2HB SER 42 4.987 0.140 2.050 335 HB3 SER 42 1HB SER 42 6.361 1.127 2.504 336 HG SER 42 HG SER 42 5.277 -0.990 3.978 337 H ASP 43 H ASP 43 5.458 0.452 5.722 338 HA ASP 43 HA ASP 43 5.799 2.852 7.295 339 HB2 ASP 43 2HB ASP 43 6.609 1.279 9.099 340 HB3 ASP 43 1HB ASP 43 4.986 0.956 8.510 341 H GLN 44 H GLN 44 7.517 1.268 5.141 342 HA GLN 44 HA GLN 44 10.203 1.948 5.967 343 HB2 GLN 44 2HB GLN 44 9.015 0.999 3.356 344 HB3 GLN 44 1HB GLN 44 10.735 1.208 3.635 345 HG2 GLN 44 2HG GLN 44 10.782 -0.559 5.231 346 HG3 GLN 44 1HG GLN 44 9.023 -0.638 5.282 347 HE21 GLN 44 1HE2 GLN 44 8.596 -0.507 2.469 348 HE22 GLN 44 2HE2 GLN 44 9.142 -2.019 1.812 349 H GLY 45 H GLY 45 7.675 3.811 5.215 350 HA2 GLY 45 2HA GLY 45 7.401 5.995 4.563 351 HA3 GLY 45 1HA GLY 45 9.142 6.127 4.396 352 H ARG 46 H ARG 46 7.640 3.641 2.807 353 HA ARG 46 HA ARG 46 8.368 4.771 0.225 354 HB2 ARG 46 2HB ARG 46 9.208 2.563 0.944 355 HB3 ARG 46 1HB ARG 46 7.565 1.980 1.048 356 HG2 ARG 46 2HG ARG 46 7.321 2.121 -1.348 357 HG3 ARG 46 1HG ARG 46 8.926 2.859 -1.496 358 HD2 ARG 46 2HD ARG 46 9.915 0.860 -0.455 359 HD3 ARG 46 1HD ARG 46 8.324 0.129 -0.369 360 HE ARG 46 HE ARG 46 8.286 0.049 -2.780 361 HH11 ARG 46 1HH1 ARG 46 11.475 0.683 -1.348 362 HH12 ARG 46 2HH1 ARG 46 12.348 -0.066 -2.614 363 HH21 ARG 46 1HH2 ARG 46 9.432 -0.984 -4.435 364 HH22 ARG 46 2HH2 ARG 46 11.125 -1.057 -4.490 365 H GLU 47 H GLU 47 6.716 6.111 -0.335 366 HA GLU 47 HA GLU 47 3.967 5.125 -0.293 367 HB2 GLU 47 2HB GLU 47 4.661 7.492 0.447 368 HB3 GLU 47 1HB GLU 47 4.935 7.822 -1.252 369 HG2 GLU 47 2HG GLU 47 2.283 6.857 -0.200 370 HG3 GLU 47 1HG GLU 47 2.692 8.544 -0.257 371 H PHE 48 H PHE 48 2.858 5.185 -2.247 372 HA PHE 48 HA PHE 48 3.988 5.531 -4.770 373 HB2 PHE 48 2HB PHE 48 4.225 3.151 -5.561 374 HB3 PHE 48 1HB PHE 48 5.461 3.670 -4.431 375 HD1 PHE 48 HD1 PHE 48 2.675 1.391 -5.018 376 HD2 PHE 48 HD2 PHE 48 5.507 2.774 -2.168 377 HE1 PHE 48 HE1 PHE 48 2.252 -0.596 -3.627 378 HE2 PHE 48 HE2 PHE 48 5.091 0.800 -0.775 379 HZ PHE 48 HZ PHE 48 3.478 -0.883 -1.494 380 H THR 49 H THR 49 2.656 4.957 -6.502 381 HA THR 49 HA THR 49 -0.065 4.961 -5.679 382 HB THR 49 HB THR 49 0.560 6.472 -7.478 383 HG1 THR 49 HG1 THR 49 -1.088 4.530 -8.705 384 HG21 THR 49 1HG2 THR 49 2.371 5.223 -8.546 385 HG22 THR 49 2HG2 THR 49 1.155 5.667 -9.747 386 HG23 THR 49 3HG2 THR 49 1.221 4.017 -9.125 387 H ALA 50 H ALA 50 -1.074 3.282 -5.257 388 HA ALA 50 HA ALA 50 -0.156 0.713 -6.330 389 HB1 ALA 50 1HB ALA 50 -0.341 0.887 -3.902 390 HB2 ALA 50 2HB ALA 50 -1.452 -0.324 -4.543 391 HB3 ALA 50 3HB ALA 50 -2.057 1.259 -4.057 392 H ARG 51 H ARG 51 -2.087 -0.921 -6.498 393 HA ARG 51 HA ARG 51 -4.285 0.354 -7.982 394 HB2 ARG 51 2HB ARG 51 -2.861 -2.261 -8.553 395 HB3 ARG 51 1HB ARG 51 -4.347 -1.756 -9.337 396 HG2 ARG 51 2HG ARG 51 -3.207 0.102 -10.384 397 HG3 ARG 51 1HG ARG 51 -1.720 -0.287 -9.513 398 HD2 ARG 51 2HD ARG 51 -1.679 -1.119 -11.831 399 HD3 ARG 51 1HD ARG 51 -1.578 -2.423 -10.651 400 HE ARG 51 HE ARG 51 -4.118 -1.697 -11.936 401 HH11 ARG 51 1HH1 ARG 51 -1.700 -4.173 -11.103 402 HH12 ARG 51 2HH1 ARG 51 -2.544 -5.469 -11.783 403 HH21 ARG 51 1HH2 ARG 51 -5.359 -3.541 -12.848 404 HH22 ARG 51 2HH2 ARG 51 -4.708 -5.096 -12.781 405 H GLY 52 H GLY 52 -6.341 -0.610 -7.555 406 HA2 GLY 52 2HA GLY 52 -6.631 -1.699 -4.961 407 HA3 GLY 52 1HA GLY 52 -7.911 -1.604 -6.156 408 H ASN 53 H ASN 53 -5.855 -3.261 -7.804 409 HA ASN 53 HA ASN 53 -6.924 -5.816 -6.962 410 HB2 ASN 53 2HB ASN 53 -5.070 -5.144 -9.264 411 HB3 ASN 53 1HB ASN 53 -5.793 -6.718 -8.983 412 HD21 ASN 53 1HD2 ASN 53 -8.383 -5.575 -8.176 413 HD22 ASN 53 2HD2 ASN 53 -9.099 -5.019 -9.642 414 H GLN 54 H GLN 54 -4.347 -3.917 -6.139 415 HA GLN 54 HA GLN 54 -2.591 -6.155 -5.542 416 HB2 GLN 54 2HB GLN 54 -2.028 -3.319 -6.345 417 HB3 GLN 54 1HB GLN 54 -0.780 -4.390 -5.766 418 HG2 GLN 54 2HG GLN 54 -1.288 -5.908 -7.686 419 HG3 GLN 54 1HG GLN 54 -2.483 -4.744 -8.239 420 HE21 GLN 54 1HE2 GLN 54 0.694 -3.950 -6.906 421 HE22 GLN 54 2HE2 GLN 54 1.331 -3.307 -8.359 422 H VAL 55 H VAL 55 -4.860 -4.504 -4.063 423 HA VAL 55 HA VAL 55 -3.298 -4.157 -1.583 424 HB VAL 55 HB VAL 55 -5.591 -2.337 -2.161 425 HG11 VAL 55 1HG1 VAL 55 -5.057 -2.517 0.106 426 HG12 VAL 55 2HG1 VAL 55 -4.597 -0.898 -0.428 427 HG13 VAL 55 3HG1 VAL 55 -3.365 -2.134 -0.182 428 HG21 VAL 55 1HG2 VAL 55 -2.720 -1.596 -2.765 429 HG22 VAL 55 2HG2 VAL 55 -4.062 -0.456 -2.710 430 HG23 VAL 55 3HG2 VAL 55 -4.036 -1.730 -3.929 431 H ARG 56 H ARG 56 -4.087 -4.873 0.093 432 HA ARG 56 HA ARG 56 -6.850 -5.643 0.090 433 HB2 ARG 56 2HB ARG 56 -4.466 -7.313 0.728 434 HB3 ARG 56 1HB ARG 56 -6.120 -7.704 1.179 435 HG2 ARG 56 2HG ARG 56 -5.134 -7.207 -1.544 436 HG3 ARG 56 1HG ARG 56 -5.226 -8.818 -0.937 437 HD2 ARG 56 2HD ARG 56 -7.259 -6.944 -1.966 438 HD3 ARG 56 1HD ARG 56 -7.249 -8.715 -1.964 439 HE ARG 56 HE ARG 56 -8.039 -8.509 0.456 440 HH11 ARG 56 1HH1 ARG 56 -8.614 -5.747 -1.766 441 HH12 ARG 56 2HH1 ARG 56 -9.934 -5.170 -0.858 442 HH21 ARG 56 1HH2 ARG 56 -9.712 -7.617 1.678 443 HH22 ARG 56 2HH2 ARG 56 -10.568 -6.201 1.097 444 H LEU 57 H LEU 57 -7.622 -5.572 2.022 445 HA LEU 57 HA LEU 57 -6.655 -4.082 4.179 446 HB2 LEU 57 2HB LEU 57 -8.630 -6.362 4.119 447 HB3 LEU 57 1HB LEU 57 -8.360 -5.379 5.534 448 HG LEU 57 HG LEU 57 -9.383 -4.295 2.908 449 HD11 LEU 57 1HD1 LEU 57 -10.962 -5.896 3.880 450 HD12 LEU 57 2HD1 LEU 57 -11.564 -4.243 4.015 451 HD13 LEU 57 3HD1 LEU 57 -10.874 -5.048 5.423 452 HD21 LEU 57 1HD2 LEU 57 -8.267 -2.639 4.333 453 HD22 LEU 57 2HD2 LEU 57 -9.280 -3.125 5.692 454 HD23 LEU 57 3HD2 LEU 57 -10.007 -2.365 4.277 455 H ILE 58 H ILE 58 -6.855 -5.559 6.362 456 HA ILE 58 HA ILE 58 -4.652 -7.406 6.189 457 HB ILE 58 HB ILE 58 -4.527 -7.241 8.636 458 HG12 ILE 58 2HG1 ILE 58 -6.041 -4.650 8.173 459 HG13 ILE 58 1HG1 ILE 58 -6.580 -6.023 9.130 460 HG21 ILE 58 1HG2 ILE 58 -3.012 -5.201 8.491 461 HG22 ILE 58 2HG2 ILE 58 -3.702 -4.892 6.898 462 HG23 ILE 58 3HG2 ILE 58 -2.781 -6.368 7.186 463 HD11 ILE 58 1HD1 ILE 58 -5.847 -4.188 10.543 464 HD12 ILE 58 2HD1 ILE 58 -4.260 -4.212 9.773 465 HD13 ILE 58 3HD1 ILE 58 -4.789 -5.587 10.743 466 H GLU 59 H GLU 59 -6.431 -8.683 5.344 467 HA GLU 59 HA GLU 59 -7.573 -10.282 7.470 468 HB2 GLU 59 2HB GLU 59 -8.915 -11.431 5.745 469 HB3 GLU 59 1HB GLU 59 -9.157 -9.706 5.632 470 HG2 GLU 59 2HG GLU 59 -7.310 -11.243 3.798 471 HG3 GLU 59 1HG GLU 59 -9.013 -10.993 3.453 Start of MODEL 4 1 H1 SER 1 1H SER 1 -19.361 -3.031 -10.387 2 H2 SER 1 2H SER 1 -18.585 -3.065 -8.893 3 H3 SER 1 3H SER 1 -19.746 -4.293 -9.315 4 HA SER 1 HA SER 1 -17.516 -5.098 -9.497 5 HB2 SER 1 2HB SER 1 -18.804 -4.615 -12.198 6 HB3 SER 1 1HB SER 1 -17.825 -6.007 -11.713 7 HG SER 1 HG SER 1 -19.910 -6.676 -11.485 8 H ASN 2 H ASN 2 -15.814 -3.763 -9.057 9 HA ASN 2 HA ASN 2 -14.465 -2.348 -11.028 10 HB2 ASN 2 2HB ASN 2 -14.733 -0.109 -9.757 11 HB3 ASN 2 1HB ASN 2 -16.028 -0.550 -10.849 12 HD21 ASN 2 1HD2 ASN 2 -15.915 1.232 -8.519 13 HD22 ASN 2 2HD2 ASN 2 -17.173 0.743 -7.444 14 H ALA 3 H ALA 3 -12.532 -1.536 -10.195 15 HA ALA 3 HA ALA 3 -11.847 -2.230 -7.532 16 HB1 ALA 3 1HB ALA 3 -10.667 -3.828 -9.817 17 HB2 ALA 3 2HB ALA 3 -11.742 -4.442 -8.562 18 HB3 ALA 3 3HB ALA 3 -10.117 -3.901 -8.142 19 H MET 4 H MET 4 -11.812 0.088 -9.171 20 HA MET 4 HA MET 4 -8.943 0.543 -9.727 21 HB2 MET 4 2HB MET 4 -9.645 2.388 -11.202 22 HB3 MET 4 1HB MET 4 -10.363 0.870 -11.710 23 HG2 MET 4 2HG MET 4 -12.473 1.499 -10.659 24 HG3 MET 4 1HG MET 4 -11.757 3.013 -10.119 25 HE1 MET 4 1HE MET 4 -14.479 2.742 -11.763 26 HE2 MET 4 2HE MET 4 -14.313 4.080 -12.898 27 HE3 MET 4 3HE MET 4 -13.825 4.287 -11.216 28 H GLU 5 H GLU 5 -11.476 1.151 -7.749 29 HA GLU 5 HA GLU 5 -10.186 3.426 -6.480 30 HB2 GLU 5 2HB GLU 5 -12.435 4.036 -5.660 31 HB3 GLU 5 1HB GLU 5 -12.341 4.087 -7.408 32 HG2 GLU 5 2HG GLU 5 -13.510 1.757 -5.892 33 HG3 GLU 5 1HG GLU 5 -14.465 3.136 -6.418 34 H LEU 6 H LEU 6 -10.420 3.386 -4.160 35 HA LEU 6 HA LEU 6 -10.941 0.729 -3.046 36 HB2 LEU 6 2HB LEU 6 -8.681 2.583 -2.329 37 HB3 LEU 6 1HB LEU 6 -9.142 1.174 -1.399 38 HG LEU 6 HG LEU 6 -8.086 1.143 -4.221 39 HD11 LEU 6 1HD1 LEU 6 -6.784 0.230 -1.654 40 HD12 LEU 6 2HD1 LEU 6 -6.482 1.779 -2.416 41 HD13 LEU 6 3HD1 LEU 6 -6.055 0.291 -3.267 42 HD21 LEU 6 1HD2 LEU 6 -7.938 -1.294 -3.874 43 HD22 LEU 6 2HD2 LEU 6 -9.599 -0.716 -3.830 44 HD23 LEU 6 3HD2 LEU 6 -8.763 -1.112 -2.326 45 H ASP 7 H ASP 7 -12.750 1.007 -1.934 46 HA ASP 7 HA ASP 7 -13.151 3.474 -0.531 47 HB2 ASP 7 2HB ASP 7 -15.091 2.376 -1.489 48 HB3 ASP 7 1HB ASP 7 -14.837 0.948 -0.474 49 H LEU 8 H LEU 8 -11.505 3.543 0.629 50 HA LEU 8 HA LEU 8 -11.421 2.106 3.140 51 HB2 LEU 8 2HB LEU 8 -9.186 2.448 1.142 52 HB3 LEU 8 1HB LEU 8 -8.890 2.082 2.836 53 HG LEU 8 HG LEU 8 -10.325 0.325 0.819 54 HD11 LEU 8 1HD1 LEU 8 -7.593 0.041 2.057 55 HD12 LEU 8 2HD1 LEU 8 -7.926 0.507 0.391 56 HD13 LEU 8 3HD1 LEU 8 -8.361 -1.106 0.960 57 HD21 LEU 8 1HD2 LEU 8 -11.172 -0.036 3.078 58 HD22 LEU 8 2HD2 LEU 8 -9.524 -0.231 3.678 59 HD23 LEU 8 3HD2 LEU 8 -10.199 -1.411 2.554 60 H GLN 9 H GLN 9 -9.920 3.519 4.586 61 HA GLN 9 HA GLN 9 -10.318 6.237 3.659 62 HB2 GLN 9 2HB GLN 9 -10.487 5.151 6.440 63 HB3 GLN 9 1HB GLN 9 -10.435 6.861 6.093 64 HG2 GLN 9 2HG GLN 9 -12.555 4.982 5.065 65 HG3 GLN 9 1HG GLN 9 -12.738 6.058 6.452 66 HE21 GLN 9 1HE2 GLN 9 -12.494 5.887 2.968 67 HE22 GLN 9 2HE2 GLN 9 -13.012 7.499 2.679 68 HA PRO 10 HA PRO 10 -6.017 7.058 4.196 69 HB2 PRO 10 2HB PRO 10 -6.686 9.660 5.414 70 HB3 PRO 10 1HB PRO 10 -5.857 9.318 3.901 71 HG2 PRO 10 2HG PRO 10 -8.348 10.303 3.901 72 HG3 PRO 10 1HG PRO 10 -7.753 9.209 2.640 73 HD2 PRO 10 2HD PRO 10 -9.544 8.604 4.927 74 HD3 PRO 10 1HD PRO 10 -9.566 7.950 3.304 75 H GLY 11 H GLY 11 -5.035 6.008 5.725 76 HA2 GLY 11 2HA GLY 11 -4.074 6.192 8.008 77 HA3 GLY 11 1HA GLY 11 -5.730 6.442 8.560 78 H ASP 12 H ASP 12 -6.175 4.385 6.151 79 HA ASP 12 HA ASP 12 -6.736 2.138 7.786 80 HB2 ASP 12 2HB ASP 12 -7.736 3.006 5.492 81 HB3 ASP 12 1HB ASP 12 -6.504 1.953 4.814 82 H VAL 13 H VAL 13 -5.884 -0.032 7.348 83 HA VAL 13 HA VAL 13 -3.060 -0.054 6.621 84 HB VAL 13 HB VAL 13 -3.300 0.186 9.008 85 HG11 VAL 13 1HG1 VAL 13 -4.773 -2.426 9.029 86 HG12 VAL 13 2HG1 VAL 13 -5.384 -0.840 9.494 87 HG13 VAL 13 3HG1 VAL 13 -4.137 -1.622 10.466 88 HG21 VAL 13 1HG2 VAL 13 -1.832 -1.694 9.722 89 HG22 VAL 13 2HG2 VAL 13 -1.325 -0.948 8.207 90 HG23 VAL 13 3HG2 VAL 13 -2.179 -2.491 8.189 91 H VAL 14 H VAL 14 -2.833 -1.298 4.991 92 HA VAL 14 HA VAL 14 -4.161 -3.928 4.836 93 HB VAL 14 HB VAL 14 -4.605 -3.553 2.428 94 HG11 VAL 14 1HG1 VAL 14 -6.534 -2.057 2.605 95 HG12 VAL 14 2HG1 VAL 14 -5.938 -1.477 4.159 96 HG13 VAL 14 3HG1 VAL 14 -6.439 -3.158 3.981 97 HG21 VAL 14 1HG2 VAL 14 -4.534 -1.264 1.483 98 HG22 VAL 14 2HG2 VAL 14 -2.943 -1.865 1.935 99 HG23 VAL 14 3HG2 VAL 14 -3.767 -0.697 2.969 100 H LYS 15 H LYS 15 -3.132 -4.910 2.645 101 HA LYS 15 HA LYS 15 -0.307 -4.219 2.657 102 HB2 LYS 15 2HB LYS 15 0.007 -6.654 2.049 103 HB3 LYS 15 1HB LYS 15 -0.283 -6.301 3.735 104 HG2 LYS 15 2HG LYS 15 -2.537 -6.988 3.555 105 HG3 LYS 15 1HG LYS 15 -2.424 -7.156 1.810 106 HD2 LYS 15 2HD LYS 15 -0.733 -8.827 2.111 107 HD3 LYS 15 1HD LYS 15 -0.871 -8.718 3.875 108 HE2 LYS 15 2HE LYS 15 -3.301 -9.287 3.569 109 HE3 LYS 15 1HE LYS 15 -2.930 -9.641 1.887 110 HZ1 LYS 15 1HZ LYS 15 -2.920 -11.614 3.233 111 HZ2 LYS 15 2HZ LYS 15 -1.720 -10.955 4.241 112 HZ3 LYS 15 3HZ LYS 15 -1.346 -11.347 2.637 113 H VAL 16 H VAL 16 0.618 -4.140 0.718 114 HA VAL 16 HA VAL 16 -1.090 -4.725 -1.553 115 HB VAL 16 HB VAL 16 -0.329 -2.759 -2.700 116 HG11 VAL 16 1HG1 VAL 16 -1.517 -1.009 -1.487 117 HG12 VAL 16 2HG1 VAL 16 -1.368 -1.943 -0.001 118 HG13 VAL 16 3HG1 VAL 16 -2.356 -2.559 -1.316 119 HG21 VAL 16 1HG2 VAL 16 1.212 -2.106 -0.203 120 HG22 VAL 16 2HG2 VAL 16 0.926 -0.950 -1.506 121 HG23 VAL 16 3HG2 VAL 16 1.850 -2.421 -1.815 122 H LEU 17 H LEU 17 0.009 -5.463 -3.298 123 HA LEU 17 HA LEU 17 2.801 -6.007 -2.771 124 HB2 LEU 17 2HB LEU 17 1.528 -8.021 -3.181 125 HB3 LEU 17 1HB LEU 17 0.876 -7.419 -4.668 126 HG LEU 17 HG LEU 17 3.837 -7.967 -4.310 127 HD11 LEU 17 1HD1 LEU 17 2.586 -10.014 -3.807 128 HD12 LEU 17 2HD1 LEU 17 3.422 -10.150 -5.354 129 HD13 LEU 17 3HD1 LEU 17 1.686 -9.839 -5.314 130 HD21 LEU 17 1HD2 LEU 17 3.213 -6.616 -6.269 131 HD22 LEU 17 2HD2 LEU 17 2.083 -7.871 -6.775 132 HD23 LEU 17 3HD2 LEU 17 3.814 -8.203 -6.748 133 H GLU 18 H GLU 18 4.066 -4.650 -3.535 134 HA GLU 18 HA GLU 18 3.364 -2.797 -5.629 135 HB2 GLU 18 2HB GLU 18 4.739 -2.031 -3.780 136 HB3 GLU 18 1HB GLU 18 5.948 -3.260 -4.118 137 HG2 GLU 18 2HG GLU 18 6.174 -2.159 -6.401 138 HG3 GLU 18 1HG GLU 18 5.301 -0.801 -5.716 139 H SER 19 H SER 19 6.188 -4.793 -5.168 140 HA SER 19 HA SER 19 6.347 -5.286 -8.027 141 HB2 SER 19 2HB SER 19 8.380 -4.720 -5.907 142 HB3 SER 19 1HB SER 19 8.869 -5.366 -7.502 143 HG SER 19 HG SER 19 8.162 -2.837 -6.668 144 H ALA 20 H ALA 20 6.703 -7.371 -8.637 145 HA ALA 20 HA ALA 20 5.873 -9.451 -6.939 146 HB1 ALA 20 1HB ALA 20 7.318 -9.676 -9.576 147 HB2 ALA 20 2HB ALA 20 5.577 -9.485 -9.372 148 HB3 ALA 20 3HB ALA 20 6.379 -10.944 -8.789 149 H ALA 21 H ALA 21 8.977 -8.110 -7.431 150 HA ALA 21 HA ALA 21 10.396 -10.442 -6.449 151 HB1 ALA 21 1HB ALA 21 12.410 -9.097 -6.779 152 HB2 ALA 21 2HB ALA 21 11.416 -7.684 -7.134 153 HB3 ALA 21 3HB ALA 21 11.394 -9.072 -8.220 154 H LEU 22 H LEU 22 8.514 -8.342 -4.967 155 HA LEU 22 HA LEU 22 10.143 -8.313 -2.519 156 HB2 LEU 22 2HB LEU 22 8.251 -6.148 -3.448 157 HB3 LEU 22 1HB LEU 22 9.024 -6.193 -1.880 158 HG LEU 22 HG LEU 22 10.446 -5.885 -4.527 159 HD11 LEU 22 1HD1 LEU 22 9.893 -3.907 -2.328 160 HD12 LEU 22 2HD1 LEU 22 9.139 -3.923 -3.922 161 HD13 LEU 22 3HD1 LEU 22 10.867 -3.605 -3.764 162 HD21 LEU 22 1HD2 LEU 22 11.843 -7.031 -2.883 163 HD22 LEU 22 2HD2 LEU 22 11.495 -5.774 -1.696 164 HD23 LEU 22 3HD2 LEU 22 12.418 -5.384 -3.147 165 H GLY 23 H GLY 23 6.849 -7.920 -3.796 166 HA2 GLY 23 2HA GLY 23 5.164 -9.506 -3.283 167 HA3 GLY 23 1HA GLY 23 5.984 -9.831 -1.764 168 H TRP 24 H TRP 24 4.078 -9.526 -0.709 169 HA TRP 24 HA TRP 24 2.614 -7.081 -0.727 170 HB2 TRP 24 2HB TRP 24 2.503 -9.443 1.165 171 HB3 TRP 24 1HB TRP 24 1.329 -8.133 1.095 172 HD1 TRP 24 HD1 TRP 24 2.416 -11.288 -0.762 173 HE1 TRP 24 HE1 TRP 24 0.644 -11.848 -2.544 174 HE3 TRP 24 HE3 TRP 24 -0.466 -7.114 -0.345 175 HZ2 TRP 24 HZ2 TRP 24 -1.665 -10.668 -3.637 176 HZ3 TRP 24 HZ3 TRP 24 -2.444 -6.899 -1.811 177 HH2 TRP 24 HH2 TRP 24 -3.025 -8.639 -3.410 178 H VAL 25 H VAL 25 3.230 -5.331 0.263 179 HA VAL 25 HA VAL 25 4.849 -5.529 2.703 180 HB VAL 25 HB VAL 25 5.486 -3.124 2.262 181 HG11 VAL 25 1HG1 VAL 25 6.995 -4.922 1.593 182 HG12 VAL 25 2HG1 VAL 25 7.065 -3.594 0.436 183 HG13 VAL 25 3HG1 VAL 25 6.163 -5.058 0.045 184 HG21 VAL 25 1HG2 VAL 25 5.091 -2.176 0.033 185 HG22 VAL 25 2HG2 VAL 25 3.568 -2.513 0.861 186 HG23 VAL 25 3HG2 VAL 25 4.143 -3.599 -0.402 187 H ARG 26 H ARG 26 4.311 -3.645 4.298 188 HA ARG 26 HA ARG 26 1.409 -3.849 4.586 189 HB2 ARG 26 2HB ARG 26 2.968 -4.443 6.435 190 HB3 ARG 26 1HB ARG 26 3.413 -2.735 6.537 191 HG2 ARG 26 2HG ARG 26 1.793 -3.329 8.257 192 HG3 ARG 26 1HG ARG 26 1.090 -2.190 7.108 193 HD2 ARG 26 2HD ARG 26 -0.451 -4.046 7.729 194 HD3 ARG 26 1HD ARG 26 -0.128 -3.966 6.003 195 HE ARG 26 HE ARG 26 1.706 -5.723 7.140 196 HH11 ARG 26 1HH1 ARG 26 -1.839 -5.604 6.616 197 HH12 ARG 26 2HH1 ARG 26 -1.942 -7.329 6.525 198 HH21 ARG 26 1HH2 ARG 26 1.382 -8.138 6.925 199 HH22 ARG 26 2HH2 ARG 26 -0.226 -8.670 6.659 200 H ALA 27 H ALA 27 0.206 -2.354 3.991 201 HA ALA 27 HA ALA 27 1.423 0.199 3.221 202 HB1 ALA 27 1HB ALA 27 -0.242 0.336 1.502 203 HB2 ALA 27 2HB ALA 27 -0.949 -1.186 2.052 204 HB3 ALA 27 3HB ALA 27 0.683 -1.160 1.381 205 H ARG 28 H ARG 28 0.533 2.044 3.807 206 HA ARG 28 HA ARG 28 -1.913 1.903 5.403 207 HB2 ARG 28 2HB ARG 28 0.438 3.803 5.471 208 HB3 ARG 28 1HB ARG 28 -1.070 4.077 6.336 209 HG2 ARG 28 2HG ARG 28 -0.711 2.245 7.759 210 HG3 ARG 28 1HG ARG 28 0.578 1.606 6.738 211 HD2 ARG 28 2HD ARG 28 0.724 4.246 8.178 212 HD3 ARG 28 1HD ARG 28 1.347 2.733 8.837 213 HE ARG 28 HE ARG 28 2.321 3.367 6.206 214 HH11 ARG 28 1HH1 ARG 28 2.862 3.905 9.659 215 HH12 ARG 28 2HH1 ARG 28 4.550 4.087 9.548 216 HH21 ARG 28 1HH2 ARG 28 4.697 3.602 6.027 217 HH22 ARG 28 2HH2 ARG 28 5.630 3.873 7.403 218 H VAL 29 H VAL 29 -3.551 2.685 4.371 219 HA VAL 29 HA VAL 29 -3.279 4.034 1.828 220 HB VAL 29 HB VAL 29 -5.727 3.802 3.597 221 HG11 VAL 29 1HG1 VAL 29 -5.940 5.490 1.850 222 HG12 VAL 29 2HG1 VAL 29 -6.980 4.110 1.496 223 HG13 VAL 29 3HG1 VAL 29 -5.458 4.310 0.632 224 HG21 VAL 29 1HG2 VAL 29 -4.823 1.945 1.394 225 HG22 VAL 29 2HG2 VAL 29 -6.366 1.858 2.240 226 HG23 VAL 29 3HG2 VAL 29 -4.863 1.577 3.118 227 H ILE 30 H ILE 30 -2.603 5.979 1.705 228 HA ILE 30 HA ILE 30 -2.890 7.687 4.045 229 HB ILE 30 HB ILE 30 -1.199 7.961 1.577 230 HG12 ILE 30 2HG1 ILE 30 -0.406 6.220 3.045 231 HG13 ILE 30 1HG1 ILE 30 0.696 7.590 3.100 232 HG21 ILE 30 1HG2 ILE 30 -1.247 9.779 3.998 233 HG22 ILE 30 2HG2 ILE 30 -1.769 10.201 2.368 234 HG23 ILE 30 3HG2 ILE 30 -0.068 9.865 2.688 235 HD11 ILE 30 1HD1 ILE 30 -0.295 8.272 5.247 236 HD12 ILE 30 2HD1 ILE 30 0.394 6.651 5.304 237 HD13 ILE 30 3HD1 ILE 30 -1.351 6.858 5.194 238 H ARG 31 H ARG 31 -3.902 7.507 0.612 239 HA ARG 31 HA ARG 31 -5.679 9.560 1.139 240 HB2 ARG 31 2HB ARG 31 -3.873 10.867 0.628 241 HB3 ARG 31 1HB ARG 31 -3.272 9.464 -0.225 242 HG2 ARG 31 2HG ARG 31 -4.282 9.812 -2.110 243 HG3 ARG 31 1HG ARG 31 -5.535 10.775 -1.358 244 HD2 ARG 31 2HD ARG 31 -3.884 11.988 -2.850 245 HD3 ARG 31 1HD ARG 31 -3.886 12.689 -1.203 246 HE ARG 31 HE ARG 31 -1.959 10.557 -1.658 247 HH11 ARG 31 1HH1 ARG 31 -2.274 14.083 -1.583 248 HH12 ARG 31 2HH1 ARG 31 -0.597 14.364 -1.668 249 HH21 ARG 31 1HH2 ARG 31 0.450 10.953 -1.830 250 HH22 ARG 31 2HH2 ARG 31 0.958 12.518 -1.808 251 H VAL 32 H VAL 32 -7.182 9.208 -0.110 252 HA VAL 32 HA VAL 32 -7.070 7.039 -2.055 253 HB VAL 32 HB VAL 32 -9.574 7.003 -1.873 254 HG11 VAL 32 1HG1 VAL 32 -9.543 5.673 0.227 255 HG12 VAL 32 2HG1 VAL 32 -7.956 6.349 0.598 256 HG13 VAL 32 3HG1 VAL 32 -8.163 5.305 -0.808 257 HG21 VAL 32 1HG2 VAL 32 -9.949 9.163 -0.827 258 HG22 VAL 32 2HG2 VAL 32 -9.041 8.653 0.597 259 HG23 VAL 32 3HG2 VAL 32 -10.577 7.879 0.208 260 H LYS 33 H LYS 33 -6.467 7.736 -3.750 261 HA LYS 33 HA LYS 33 -8.148 9.556 -5.253 262 HB2 LYS 33 2HB LYS 33 -5.432 8.505 -5.236 263 HB3 LYS 33 1HB LYS 33 -6.002 8.850 -6.845 264 HG2 LYS 33 2HG LYS 33 -6.157 11.154 -6.293 265 HG3 LYS 33 1HG LYS 33 -6.104 10.814 -4.560 266 HD2 LYS 33 2HD LYS 33 -3.944 10.263 -4.577 267 HD3 LYS 33 1HD LYS 33 -3.827 9.950 -6.271 268 HE2 LYS 33 2HE LYS 33 -4.102 12.663 -4.879 269 HE3 LYS 33 1HE LYS 33 -2.703 12.097 -5.787 270 HZ1 LYS 33 1HZ LYS 33 -3.980 13.694 -7.079 271 HZ2 LYS 33 2HZ LYS 33 -5.377 12.785 -6.920 272 HZ3 LYS 33 3HZ LYS 33 -4.088 12.184 -7.828 273 H SER 34 H SER 34 -8.408 8.474 -7.588 274 HA SER 34 HA SER 34 -8.590 5.625 -7.299 275 HB2 SER 34 2HB SER 34 -10.982 7.326 -8.046 276 HB3 SER 34 1HB SER 34 -10.938 5.562 -8.083 277 HG SER 34 HG SER 34 -10.052 6.375 -5.723 278 H GLY 35 H GLY 35 -8.858 4.496 -9.313 279 HA2 GLY 35 2HA GLY 35 -8.833 4.223 -11.595 280 HA3 GLY 35 1HA GLY 35 -8.862 5.969 -11.778 281 H GLY 36 H GLY 36 -6.998 7.094 -11.757 282 HA2 GLY 36 2HA GLY 36 -4.764 5.578 -12.838 283 HA3 GLY 36 1HA GLY 36 -4.922 7.329 -12.838 284 H ARG 37 H ARG 37 -5.615 6.998 -9.802 285 HA ARG 37 HA ARG 37 -2.955 6.491 -8.775 286 HB2 ARG 37 2HB ARG 37 -3.998 8.899 -9.477 287 HB3 ARG 37 1HB ARG 37 -4.176 8.793 -7.736 288 HG2 ARG 37 2HG ARG 37 -1.595 8.493 -9.329 289 HG3 ARG 37 1HG ARG 37 -2.052 9.935 -8.426 290 HD2 ARG 37 2HD ARG 37 -2.107 8.568 -6.397 291 HD3 ARG 37 1HD ARG 37 -1.510 7.204 -7.279 292 HE ARG 37 HE ARG 37 0.243 9.366 -7.731 293 HH11 ARG 37 1HH1 ARG 37 -0.452 6.925 -5.158 294 HH12 ARG 37 2HH1 ARG 37 1.003 7.355 -4.350 295 HH21 ARG 37 1HH2 ARG 37 2.281 9.745 -6.405 296 HH22 ARG 37 2HH2 ARG 37 2.388 8.809 -4.971 297 H VAL 38 H VAL 38 -2.980 6.114 -6.838 298 HA VAL 38 HA VAL 38 -5.171 6.298 -4.875 299 HB VAL 38 HB VAL 38 -3.754 3.638 -5.366 300 HG11 VAL 38 1HG1 VAL 38 -6.071 4.309 -3.572 301 HG12 VAL 38 2HG1 VAL 38 -4.398 4.039 -3.081 302 HG13 VAL 38 3HG1 VAL 38 -5.339 2.714 -3.770 303 HG21 VAL 38 1HG2 VAL 38 -6.635 4.232 -6.077 304 HG22 VAL 38 2HG2 VAL 38 -5.885 2.636 -6.123 305 HG23 VAL 38 3HG2 VAL 38 -5.337 3.902 -7.223 306 H VAL 39 H VAL 39 -4.079 6.374 -2.756 307 HA VAL 39 HA VAL 39 -1.209 6.347 -3.128 308 HB VAL 39 HB VAL 39 -2.946 8.317 -1.700 309 HG11 VAL 39 1HG1 VAL 39 0.068 8.195 -1.660 310 HG12 VAL 39 2HG1 VAL 39 -0.969 7.715 -0.334 311 HG13 VAL 39 3HG1 VAL 39 -0.932 9.407 -0.846 312 HG21 VAL 39 1HG2 VAL 39 -0.917 8.640 -3.894 313 HG22 VAL 39 2HG2 VAL 39 -1.877 9.946 -3.200 314 HG23 VAL 39 3HG2 VAL 39 -2.660 8.640 -4.085 315 H VAL 40 H VAL 40 -0.292 4.876 -1.919 316 HA VAL 40 HA VAL 40 -1.265 4.494 0.784 317 HB VAL 40 HB VAL 40 -0.750 2.080 0.646 318 HG11 VAL 40 1HG1 VAL 40 -2.752 2.925 -1.438 319 HG12 VAL 40 2HG1 VAL 40 -3.054 2.705 0.285 320 HG13 VAL 40 3HG1 VAL 40 -2.642 1.318 -0.722 321 HG21 VAL 40 1HG2 VAL 40 -0.333 2.536 -2.315 322 HG22 VAL 40 2HG2 VAL 40 -0.381 0.960 -1.523 323 HG23 VAL 40 3HG2 VAL 40 0.910 2.098 -1.144 324 H GLN 41 H GLN 41 0.366 4.250 2.213 325 HA GLN 41 HA GLN 41 3.080 4.369 1.139 326 HB2 GLN 41 2HB GLN 41 2.331 6.570 1.865 327 HB3 GLN 41 1HB GLN 41 1.979 5.923 3.442 328 HG2 GLN 41 2HG GLN 41 4.323 5.442 3.828 329 HG3 GLN 41 1HG GLN 41 4.723 6.025 2.213 330 HE21 GLN 41 1HE2 GLN 41 3.726 6.948 5.425 331 HE22 GLN 41 2HE2 GLN 41 4.068 8.633 5.197 332 H SER 42 H SER 42 3.914 2.643 1.581 333 HA SER 42 HA SER 42 3.056 0.885 3.607 334 HB2 SER 42 2HB SER 42 5.494 0.781 1.849 335 HB3 SER 42 1HB SER 42 4.715 -0.568 2.690 336 HG SER 42 HG SER 42 3.867 -0.649 0.712 337 H ASP 43 H ASP 43 4.503 -0.179 4.934 338 HA ASP 43 HA ASP 43 5.314 0.772 7.200 339 HB2 ASP 43 2HB ASP 43 7.261 -1.015 7.002 340 HB3 ASP 43 1HB ASP 43 5.566 -1.492 7.036 341 H GLN 44 H GLN 44 7.694 0.537 4.633 342 HA GLN 44 HA GLN 44 9.939 1.738 5.772 343 HB2 GLN 44 2HB GLN 44 9.014 1.623 2.921 344 HB3 GLN 44 1HB GLN 44 10.629 2.091 3.420 345 HG2 GLN 44 2HG GLN 44 11.238 -0.047 3.881 346 HG3 GLN 44 1HG GLN 44 9.601 -0.526 4.345 347 HE21 GLN 44 1HE2 GLN 44 8.181 -1.135 2.834 348 HE22 GLN 44 2HE2 GLN 44 8.605 -1.574 1.214 349 H GLY 45 H GLY 45 7.065 3.221 4.653 350 HA2 GLY 45 2HA GLY 45 6.622 5.574 4.753 351 HA3 GLY 45 1HA GLY 45 8.393 5.776 4.708 352 H ARG 46 H ARG 46 7.115 3.500 2.710 353 HA ARG 46 HA ARG 46 8.023 4.834 0.306 354 HB2 ARG 46 2HB ARG 46 8.704 2.577 1.011 355 HB3 ARG 46 1HB ARG 46 7.041 2.058 0.949 356 HG2 ARG 46 2HG ARG 46 7.067 2.291 -1.475 357 HG3 ARG 46 1HG ARG 46 8.742 2.879 -1.402 358 HD2 ARG 46 2HD ARG 46 9.385 0.805 -0.230 359 HD3 ARG 46 1HD ARG 46 7.745 0.214 -0.410 360 HE ARG 46 HE ARG 46 8.168 0.275 -2.860 361 HH11 ARG 46 1HH1 ARG 46 10.862 -0.142 -0.541 362 HH12 ARG 46 2HH1 ARG 46 11.872 -0.896 -1.673 363 HH21 ARG 46 1HH2 ARG 46 9.468 -0.841 -4.312 364 HH22 ARG 46 2HH2 ARG 46 11.060 -1.302 -3.947 365 H GLU 47 H GLU 47 6.355 6.299 -0.310 366 HA GLU 47 HA GLU 47 3.613 5.322 -0.416 367 HB2 GLU 47 2HB GLU 47 4.155 7.693 0.361 368 HB3 GLU 47 1HB GLU 47 4.615 8.049 -1.298 369 HG2 GLU 47 2HG GLU 47 2.042 6.775 -1.196 370 HG3 GLU 47 1HG GLU 47 2.019 8.187 -0.187 371 H PHE 48 H PHE 48 2.547 5.057 -2.254 372 HA PHE 48 HA PHE 48 3.525 5.702 -4.799 373 HB2 PHE 48 2HB PHE 48 3.836 3.377 -5.726 374 HB3 PHE 48 1HB PHE 48 5.094 3.900 -4.623 375 HD1 PHE 48 HD1 PHE 48 5.350 2.852 -2.467 376 HD2 PHE 48 HD2 PHE 48 2.340 1.562 -5.174 377 HE1 PHE 48 HE1 PHE 48 5.104 0.772 -1.185 378 HE2 PHE 48 HE2 PHE 48 2.080 -0.520 -3.892 379 HZ PHE 48 HZ PHE 48 3.472 -0.913 -1.895 380 H THR 49 H THR 49 2.241 4.307 -6.518 381 HA THR 49 HA THR 49 -0.475 4.701 -5.623 382 HB THR 49 HB THR 49 0.139 6.067 -7.533 383 HG1 THR 49 HG1 THR 49 -1.635 3.992 -8.289 384 HG21 THR 49 1HG2 THR 49 0.653 3.485 -9.028 385 HG22 THR 49 2HG2 THR 49 1.867 4.679 -8.572 386 HG23 THR 49 3HG2 THR 49 0.626 5.091 -9.756 387 H ALA 50 H ALA 50 -1.625 3.085 -5.145 388 HA ALA 50 HA ALA 50 -0.781 0.408 -5.936 389 HB1 ALA 50 1HB ALA 50 -1.328 0.817 -3.587 390 HB2 ALA 50 2HB ALA 50 -2.399 -0.391 -4.295 391 HB3 ALA 50 3HB ALA 50 -2.973 1.257 -4.044 392 H ARG 51 H ARG 51 -2.566 -1.189 -6.492 393 HA ARG 51 HA ARG 51 -4.750 0.001 -8.054 394 HB2 ARG 51 2HB ARG 51 -3.047 -2.387 -8.873 395 HB3 ARG 51 1HB ARG 51 -4.457 -1.800 -9.740 396 HG2 ARG 51 2HG ARG 51 -1.843 -0.333 -9.386 397 HG3 ARG 51 1HG ARG 51 -2.403 -1.131 -10.857 398 HD2 ARG 51 2HD ARG 51 -4.273 0.406 -11.008 399 HD3 ARG 51 1HD ARG 51 -3.799 1.158 -9.486 400 HE ARG 51 HE ARG 51 -1.986 1.169 -11.772 401 HH11 ARG 51 1HH1 ARG 51 -3.834 2.921 -9.316 402 HH12 ARG 51 2HH1 ARG 51 -3.341 4.470 -9.844 403 HH21 ARG 51 1HH2 ARG 51 -1.257 3.362 -12.456 404 HH22 ARG 51 2HH2 ARG 51 -1.892 4.715 -11.626 405 H GLY 52 H GLY 52 -6.688 -1.293 -7.939 406 HA2 GLY 52 2HA GLY 52 -7.171 -2.405 -5.452 407 HA3 GLY 52 1HA GLY 52 -8.190 -2.630 -6.861 408 H ASN 53 H ASN 53 -6.141 -4.119 -8.317 409 HA ASN 53 HA ASN 53 -6.698 -6.656 -7.075 410 HB2 ASN 53 2HB ASN 53 -5.308 -6.006 -9.679 411 HB3 ASN 53 1HB ASN 53 -5.606 -7.644 -9.114 412 HD21 ASN 53 1HD2 ASN 53 -8.257 -6.972 -7.999 413 HD22 ASN 53 2HD2 ASN 53 -9.272 -6.778 -9.383 414 H GLN 54 H GLN 54 -4.356 -4.481 -6.507 415 HA GLN 54 HA GLN 54 -2.287 -6.478 -5.976 416 HB2 GLN 54 2HB GLN 54 -2.163 -3.499 -6.358 417 HB3 GLN 54 1HB GLN 54 -0.773 -4.480 -5.987 418 HG2 GLN 54 2HG GLN 54 -1.152 -5.675 -8.156 419 HG3 GLN 54 1HG GLN 54 -2.461 -4.548 -8.489 420 HE21 GLN 54 1HE2 GLN 54 0.660 -3.764 -6.970 421 HE22 GLN 54 2HE2 GLN 54 1.196 -2.769 -8.264 422 H VAL 55 H VAL 55 -4.837 -5.270 -4.468 423 HA VAL 55 HA VAL 55 -3.416 -4.556 -1.994 424 HB VAL 55 HB VAL 55 -6.035 -3.328 -2.913 425 HG11 VAL 55 1HG1 VAL 55 -5.752 -1.760 -1.057 426 HG12 VAL 55 2HG1 VAL 55 -4.305 -2.629 -0.551 427 HG13 VAL 55 3HG1 VAL 55 -5.870 -3.433 -0.514 428 HG21 VAL 55 1HG2 VAL 55 -4.331 -2.434 -4.335 429 HG22 VAL 55 2HG2 VAL 55 -3.278 -2.115 -2.971 430 HG23 VAL 55 3HG2 VAL 55 -4.767 -1.195 -3.160 431 H ARG 56 H ARG 56 -4.123 -5.433 -0.202 432 HA ARG 56 HA ARG 56 -6.591 -6.954 -0.293 433 HB2 ARG 56 2HB ARG 56 -3.895 -7.788 0.534 434 HB3 ARG 56 1HB ARG 56 -5.328 -8.587 1.128 435 HG2 ARG 56 2HG ARG 56 -5.137 -8.218 -1.757 436 HG3 ARG 56 1HG ARG 56 -4.018 -9.389 -1.112 437 HD2 ARG 56 2HD ARG 56 -7.048 -9.319 -0.871 438 HD3 ARG 56 1HD ARG 56 -6.072 -10.489 -1.769 439 HE ARG 56 HE ARG 56 -5.183 -10.835 0.759 440 HH11 ARG 56 1HH1 ARG 56 -8.486 -10.772 -0.483 441 HH12 ARG 56 2HH1 ARG 56 -9.088 -11.828 0.722 442 HH21 ARG 56 1HH2 ARG 56 -5.987 -12.275 2.376 443 HH22 ARG 56 2HH2 ARG 56 -7.589 -12.712 2.424 444 H LEU 57 H LEU 57 -7.710 -6.516 1.268 445 HA LEU 57 HA LEU 57 -6.596 -5.462 3.723 446 HB2 LEU 57 2HB LEU 57 -8.993 -4.921 4.345 447 HB3 LEU 57 1HB LEU 57 -8.385 -4.040 2.967 448 HG LEU 57 HG LEU 57 -9.528 -5.913 1.623 449 HD11 LEU 57 1HD1 LEU 57 -10.223 -7.344 3.447 450 HD12 LEU 57 2HD1 LEU 57 -11.651 -6.715 2.624 451 HD13 LEU 57 3HD1 LEU 57 -11.152 -6.030 4.170 452 HD21 LEU 57 1HD2 LEU 57 -10.133 -3.598 1.436 453 HD22 LEU 57 2HD2 LEU 57 -11.064 -3.679 2.932 454 HD23 LEU 57 3HD2 LEU 57 -11.604 -4.567 1.507 455 H ILE 58 H ILE 58 -6.617 -6.725 5.540 456 HA ILE 58 HA ILE 58 -6.674 -8.566 6.778 457 HB ILE 58 HB ILE 58 -8.817 -9.590 4.842 458 HG12 ILE 58 2HG1 ILE 58 -9.119 -8.413 7.618 459 HG13 ILE 58 1HG1 ILE 58 -9.478 -7.577 6.115 460 HG21 ILE 58 1HG2 ILE 58 -7.742 -11.478 5.969 461 HG22 ILE 58 2HG2 ILE 58 -9.391 -11.266 6.559 462 HG23 ILE 58 3HG2 ILE 58 -8.028 -10.721 7.535 463 HD11 ILE 58 1HD1 ILE 58 -11.259 -9.188 5.649 464 HD12 ILE 58 2HD1 ILE 58 -11.506 -8.379 7.198 465 HD13 ILE 58 3HD1 ILE 58 -10.885 -10.031 7.151 466 H GLU 59 H GLU 59 -5.659 -10.614 6.767 467 HA GLU 59 HA GLU 59 -3.689 -10.762 4.813 468 HB2 GLU 59 2HB GLU 59 -4.313 -12.681 7.041 469 HB3 GLU 59 1HB GLU 59 -2.926 -12.844 5.967 470 HG2 GLU 59 2HG GLU 59 -3.495 -10.608 7.902 471 HG3 GLU 59 1HG GLU 59 -2.161 -11.763 7.944 Start of MODEL 5 1 H1 SER 1 1H SER 1 -21.548 -1.931 -5.441 2 H2 SER 1 2H SER 1 -19.831 -1.782 -5.411 3 H3 SER 1 3H SER 1 -20.818 -0.504 -5.970 4 HA SER 1 HA SER 1 -19.941 -0.125 -3.762 5 HB2 SER 1 2HB SER 1 -22.943 -0.340 -4.038 6 HB3 SER 1 1HB SER 1 -22.028 0.885 -3.146 7 HG SER 1 HG SER 1 -22.396 1.893 -5.014 8 H ASN 2 H ASN 2 -19.397 -2.772 -3.607 9 HA ASN 2 HA ASN 2 -21.097 -3.808 -1.455 10 HB2 ASN 2 2HB ASN 2 -20.431 -5.351 -3.978 11 HB3 ASN 2 1HB ASN 2 -21.212 -6.031 -2.555 12 HD21 ASN 2 1HD2 ASN 2 -23.365 -5.570 -2.170 13 HD22 ASN 2 2HD2 ASN 2 -24.378 -4.811 -3.347 14 H ALA 3 H ALA 3 -18.572 -2.655 -1.533 15 HA ALA 3 HA ALA 3 -16.994 -2.745 -0.135 16 HB1 ALA 3 1HB ALA 3 -16.532 -4.572 1.448 17 HB2 ALA 3 2HB ALA 3 -17.625 -5.620 0.544 18 HB3 ALA 3 3HB ALA 3 -18.255 -4.196 1.371 19 H MET 4 H MET 4 -17.013 -3.990 -2.924 20 HA MET 4 HA MET 4 -14.415 -5.359 -2.882 21 HB2 MET 4 2HB MET 4 -16.273 -6.357 -4.240 22 HB3 MET 4 1HB MET 4 -16.310 -4.890 -5.206 23 HG2 MET 4 2HG MET 4 -14.033 -5.328 -5.975 24 HG3 MET 4 1HG MET 4 -13.979 -6.793 -5.001 25 HE1 MET 4 1HE MET 4 -15.604 -4.994 -8.084 26 HE2 MET 4 2HE MET 4 -17.033 -5.405 -7.130 27 HE3 MET 4 3HE MET 4 -16.736 -6.212 -8.668 28 H GLU 5 H GLU 5 -15.793 -2.419 -3.176 29 HA GLU 5 HA GLU 5 -13.863 -1.215 -4.946 30 HB2 GLU 5 2HB GLU 5 -15.961 0.113 -3.232 31 HB3 GLU 5 1HB GLU 5 -15.096 0.828 -4.570 32 HG2 GLU 5 2HG GLU 5 -17.300 0.404 -5.349 33 HG3 GLU 5 1HG GLU 5 -16.260 -0.800 -6.096 34 H LEU 6 H LEU 6 -12.140 -0.221 -4.190 35 HA LEU 6 HA LEU 6 -11.552 -0.505 -1.358 36 HB2 LEU 6 2HB LEU 6 -9.747 0.651 -3.416 37 HB3 LEU 6 1HB LEU 6 -9.412 0.131 -1.793 38 HG LEU 6 HG LEU 6 -10.298 -1.792 -3.923 39 HD11 LEU 6 1HD1 LEU 6 -7.520 -1.217 -2.896 40 HD12 LEU 6 2HD1 LEU 6 -8.122 -0.877 -4.520 41 HD13 LEU 6 3HD1 LEU 6 -7.958 -2.545 -3.967 42 HD21 LEU 6 1HD2 LEU 6 -9.117 -2.227 -1.178 43 HD22 LEU 6 2HD2 LEU 6 -9.485 -3.495 -2.345 44 HD23 LEU 6 3HD2 LEU 6 -10.789 -2.530 -1.655 45 H ASP 7 H ASP 7 -13.061 0.951 -0.683 46 HA ASP 7 HA ASP 7 -11.911 3.626 -0.726 47 HB2 ASP 7 2HB ASP 7 -14.289 3.705 -1.248 48 HB3 ASP 7 1HB ASP 7 -14.685 2.879 0.269 49 H LEU 8 H LEU 8 -10.353 3.024 0.410 50 HA LEU 8 HA LEU 8 -10.937 2.417 3.206 51 HB2 LEU 8 2HB LEU 8 -8.499 1.967 1.555 52 HB3 LEU 8 1HB LEU 8 -8.394 1.959 3.322 53 HG LEU 8 HG LEU 8 -8.441 -0.284 2.651 54 HD11 LEU 8 1HD1 LEU 8 -11.282 0.375 3.353 55 HD12 LEU 8 2HD1 LEU 8 -9.950 0.109 4.477 56 HD13 LEU 8 3HD1 LEU 8 -10.524 -1.212 3.460 57 HD21 LEU 8 1HD2 LEU 8 -10.064 -1.239 1.067 58 HD22 LEU 8 2HD2 LEU 8 -9.040 -0.008 0.335 59 HD23 LEU 8 3HD2 LEU 8 -10.703 0.381 0.778 60 H GLN 9 H GLN 9 -10.477 3.819 4.677 61 HA GLN 9 HA GLN 9 -10.132 6.434 3.698 62 HB2 GLN 9 2HB GLN 9 -10.756 5.327 6.412 63 HB3 GLN 9 1HB GLN 9 -10.447 7.033 6.160 64 HG2 GLN 9 2HG GLN 9 -12.684 5.402 4.968 65 HG3 GLN 9 1HG GLN 9 -12.819 6.693 6.163 66 HE21 GLN 9 1HE2 GLN 9 -12.687 5.942 2.796 67 HE22 GLN 9 2HE2 GLN 9 -12.700 7.528 2.223 68 HA PRO 10 HA PRO 10 -5.947 6.958 4.511 69 HB2 PRO 10 2HB PRO 10 -6.347 9.597 5.771 70 HB3 PRO 10 1HB PRO 10 -5.593 9.201 4.228 71 HG2 PRO 10 2HG PRO 10 -8.002 10.408 4.377 72 HG3 PRO 10 1HG PRO 10 -7.527 9.359 3.032 73 HD2 PRO 10 2HD PRO 10 -9.326 8.746 5.309 74 HD3 PRO 10 1HD PRO 10 -9.373 8.209 3.630 75 H GLY 11 H GLY 11 -4.894 5.940 6.017 76 HA2 GLY 11 2HA GLY 11 -3.991 6.018 8.309 77 HA3 GLY 11 1HA GLY 11 -5.644 6.294 8.848 78 H ASP 12 H ASP 12 -6.296 4.309 6.496 79 HA ASP 12 HA ASP 12 -6.687 2.035 8.158 80 HB2 ASP 12 2HB ASP 12 -8.023 2.894 6.066 81 HB3 ASP 12 1HB ASP 12 -6.846 1.965 5.162 82 H VAL 13 H VAL 13 -6.033 -0.208 7.130 83 HA VAL 13 HA VAL 13 -3.162 -0.146 6.541 84 HB VAL 13 HB VAL 13 -4.401 -1.835 8.742 85 HG11 VAL 13 1HG1 VAL 13 -1.566 -1.760 7.725 86 HG12 VAL 13 2HG1 VAL 13 -2.699 -3.102 7.578 87 HG13 VAL 13 3HG1 VAL 13 -2.101 -2.622 9.168 88 HG21 VAL 13 1HG2 VAL 13 -4.040 0.478 9.441 89 HG22 VAL 13 2HG2 VAL 13 -2.364 0.393 8.902 90 HG23 VAL 13 3HG2 VAL 13 -2.905 -0.600 10.255 91 H VAL 14 H VAL 14 -2.933 -1.185 4.720 92 HA VAL 14 HA VAL 14 -4.385 -3.705 4.222 93 HB VAL 14 HB VAL 14 -4.610 -3.071 1.845 94 HG11 VAL 14 1HG1 VAL 14 -6.498 -1.510 2.073 95 HG12 VAL 14 2HG1 VAL 14 -5.979 -1.129 3.714 96 HG13 VAL 14 3HG1 VAL 14 -6.536 -2.754 3.324 97 HG21 VAL 14 1HG2 VAL 14 -2.833 -1.407 1.705 98 HG22 VAL 14 2HG2 VAL 14 -3.741 -0.322 2.756 99 HG23 VAL 14 3HG2 VAL 14 -4.360 -0.715 1.153 100 H LYS 15 H LYS 15 -3.385 -4.894 2.400 101 HA LYS 15 HA LYS 15 -0.499 -4.463 2.419 102 HB2 LYS 15 2HB LYS 15 -0.474 -6.885 1.687 103 HB3 LYS 15 1HB LYS 15 -0.778 -6.576 3.375 104 HG2 LYS 15 2HG LYS 15 -3.131 -6.921 3.035 105 HG3 LYS 15 1HG LYS 15 -2.903 -7.153 1.310 106 HD2 LYS 15 2HD LYS 15 -1.404 -9.020 1.839 107 HD3 LYS 15 1HD LYS 15 -1.765 -8.836 3.557 108 HE2 LYS 15 2HE LYS 15 -4.190 -9.196 2.953 109 HE3 LYS 15 1HE LYS 15 -3.644 -9.619 1.334 110 HZ1 LYS 15 1HZ LYS 15 -2.292 -11.472 2.382 111 HZ2 LYS 15 2HZ LYS 15 -3.964 -11.589 2.669 112 HZ3 LYS 15 3HZ LYS 15 -3.038 -11.075 3.859 113 H VAL 16 H VAL 16 0.489 -4.192 0.642 114 HA VAL 16 HA VAL 16 -0.982 -4.523 -1.846 115 HB VAL 16 HB VAL 16 0.217 -2.490 -2.711 116 HG11 VAL 16 1HG1 VAL 16 -1.567 -1.924 -0.347 117 HG12 VAL 16 2HG1 VAL 16 -2.124 -2.474 -1.916 118 HG13 VAL 16 3HG1 VAL 16 -1.340 -0.902 -1.777 119 HG21 VAL 16 1HG2 VAL 16 1.112 -0.870 -1.091 120 HG22 VAL 16 2HG2 VAL 16 2.012 -2.391 -1.050 121 HG23 VAL 16 3HG2 VAL 16 0.834 -2.029 0.209 122 H LEU 17 H LEU 17 0.164 -5.412 -3.441 123 HA LEU 17 HA LEU 17 2.813 -6.260 -2.674 124 HB2 LEU 17 2HB LEU 17 1.327 -7.986 -3.472 125 HB3 LEU 17 1HB LEU 17 1.042 -7.198 -4.979 126 HG LEU 17 HG LEU 17 3.726 -8.356 -4.124 127 HD11 LEU 17 1HD1 LEU 17 3.171 -10.262 -5.557 128 HD12 LEU 17 2HD1 LEU 17 1.569 -9.579 -5.838 129 HD13 LEU 17 3HD1 LEU 17 2.034 -10.102 -4.219 130 HD21 LEU 17 1HD2 LEU 17 4.266 -8.324 -6.512 131 HD22 LEU 17 2HD2 LEU 17 3.885 -6.698 -5.944 132 HD23 LEU 17 3HD2 LEU 17 2.693 -7.611 -6.870 133 H GLU 18 H GLU 18 4.003 -4.676 -2.764 134 HA GLU 18 HA GLU 18 4.054 -2.542 -4.603 135 HB2 GLU 18 2HB GLU 18 4.866 -2.345 -2.332 136 HB3 GLU 18 1HB GLU 18 6.062 -3.591 -2.611 137 HG2 GLU 18 2HG GLU 18 7.264 -2.152 -4.110 138 HG3 GLU 18 1HG GLU 18 6.057 -0.887 -3.943 139 H SER 19 H SER 19 6.149 -5.347 -4.218 140 HA SER 19 HA SER 19 6.803 -5.238 -7.025 141 HB2 SER 19 2HB SER 19 8.798 -4.919 -4.798 142 HB3 SER 19 1HB SER 19 9.288 -5.420 -6.434 143 HG SER 19 HG SER 19 7.663 -3.182 -6.238 144 H ALA 20 H ALA 20 7.540 -7.227 -7.818 145 HA ALA 20 HA ALA 20 6.405 -9.478 -6.582 146 HB1 ALA 20 1HB ALA 20 8.404 -9.408 -8.838 147 HB2 ALA 20 2HB ALA 20 6.656 -9.248 -9.008 148 HB3 ALA 20 3HB ALA 20 7.350 -10.758 -8.417 149 H ALA 21 H ALA 21 9.578 -8.140 -6.331 150 HA ALA 21 HA ALA 21 10.733 -10.581 -5.258 151 HB1 ALA 21 1HB ALA 21 12.074 -9.152 -6.731 152 HB2 ALA 21 2HB ALA 21 12.806 -9.293 -5.133 153 HB3 ALA 21 3HB ALA 21 11.929 -7.828 -5.575 154 H LEU 22 H LEU 22 8.633 -8.620 -4.000 155 HA LEU 22 HA LEU 22 9.794 -8.722 -1.303 156 HB2 LEU 22 2HB LEU 22 8.196 -6.428 -2.456 157 HB3 LEU 22 1HB LEU 22 8.626 -6.587 -0.768 158 HG LEU 22 HG LEU 22 10.595 -6.235 -3.038 159 HD11 LEU 22 1HD1 LEU 22 10.923 -4.002 -2.123 160 HD12 LEU 22 2HD1 LEU 22 9.649 -4.295 -0.941 161 HD13 LEU 22 3HD1 LEU 22 9.260 -4.236 -2.660 162 HD21 LEU 22 1HD2 LEU 22 12.234 -5.867 -1.247 163 HD22 LEU 22 2HD2 LEU 22 11.554 -7.489 -1.174 164 HD23 LEU 22 3HD2 LEU 22 11.003 -6.251 -0.043 165 H GLY 23 H GLY 23 6.862 -8.342 -3.253 166 HA2 GLY 23 2HA GLY 23 5.015 -9.796 -3.078 167 HA3 GLY 23 1HA GLY 23 5.548 -10.208 -1.453 168 H TRP 24 H TRP 24 3.469 -9.839 -0.794 169 HA TRP 24 HA TRP 24 2.198 -7.316 -0.858 170 HB2 TRP 24 2HB TRP 24 1.770 -9.733 0.901 171 HB3 TRP 24 1HB TRP 24 0.691 -8.344 0.824 172 HD1 TRP 24 HD1 TRP 24 1.668 -11.483 -1.095 173 HE1 TRP 24 HE1 TRP 24 0.026 -11.786 -3.065 174 HE3 TRP 24 HE3 TRP 24 -0.765 -7.044 -0.772 175 HZ2 TRP 24 HZ2 TRP 24 -2.029 -10.308 -4.321 176 HZ3 TRP 24 HZ3 TRP 24 -2.546 -6.542 -2.391 177 HH2 TRP 24 HH2 TRP 24 -3.163 -8.145 -4.129 178 H VAL 25 H VAL 25 3.072 -5.633 0.096 179 HA VAL 25 HA VAL 25 4.415 -5.996 2.654 180 HB VAL 25 HB VAL 25 5.420 -3.747 2.299 181 HG11 VAL 25 1HG1 VAL 25 6.938 -4.317 0.466 182 HG12 VAL 25 2HG1 VAL 25 5.851 -5.616 -0.020 183 HG13 VAL 25 3HG1 VAL 25 6.660 -5.686 1.544 184 HG21 VAL 25 1HG2 VAL 25 5.225 -2.616 0.124 185 HG22 VAL 25 2HG2 VAL 25 3.664 -2.730 0.936 186 HG23 VAL 25 3HG2 VAL 25 4.045 -3.822 -0.394 187 H ARG 26 H ARG 26 3.847 -4.764 4.374 188 HA ARG 26 HA ARG 26 1.097 -4.025 4.510 189 HB2 ARG 26 2HB ARG 26 2.308 -5.081 6.405 190 HB3 ARG 26 1HB ARG 26 3.352 -3.678 6.503 191 HG2 ARG 26 2HG ARG 26 0.379 -3.470 6.962 192 HG3 ARG 26 1HG ARG 26 1.483 -3.942 8.246 193 HD2 ARG 26 2HD ARG 26 2.734 -1.820 7.850 194 HD3 ARG 26 1HD ARG 26 1.490 -1.354 6.696 195 HE ARG 26 HE ARG 26 -0.061 -1.669 8.680 196 HH11 ARG 26 1HH1 ARG 26 3.236 -0.371 8.833 197 HH12 ARG 26 2HH1 ARG 26 3.069 0.452 10.263 198 HH21 ARG 26 1HH2 ARG 26 -0.410 -0.440 10.713 199 HH22 ARG 26 2HH2 ARG 26 0.884 0.442 11.381 200 H ALA 27 H ALA 27 0.236 -2.070 4.370 201 HA ALA 27 HA ALA 27 1.972 0.262 4.297 202 HB1 ALA 27 1HB ALA 27 -0.056 -0.440 2.174 203 HB2 ALA 27 2HB ALA 27 1.695 -0.482 1.976 204 HB3 ALA 27 3HB ALA 27 0.879 1.055 2.263 205 H ARG 28 H ARG 28 0.625 2.250 4.332 206 HA ARG 28 HA ARG 28 -1.955 1.765 5.632 207 HB2 ARG 28 2HB ARG 28 -1.718 3.652 7.102 208 HB3 ARG 28 1HB ARG 28 -0.224 2.759 7.276 209 HG2 ARG 28 2HG ARG 28 -0.430 5.121 5.422 210 HG3 ARG 28 1HG ARG 28 -0.135 5.332 7.142 211 HD2 ARG 28 2HD ARG 28 1.586 3.611 5.363 212 HD3 ARG 28 1HD ARG 28 1.885 5.325 5.647 213 HE ARG 28 HE ARG 28 2.106 4.804 7.989 214 HH11 ARG 28 1HH1 ARG 28 2.563 2.113 5.712 215 HH12 ARG 28 2HH1 ARG 28 3.597 1.233 6.758 216 HH21 ARG 28 1HH2 ARG 28 3.678 3.629 9.350 217 HH22 ARG 28 2HH2 ARG 28 4.292 2.141 8.802 218 H VAL 29 H VAL 29 -3.581 3.016 4.935 219 HA VAL 29 HA VAL 29 -3.205 4.061 2.278 220 HB VAL 29 HB VAL 29 -5.626 4.144 4.088 221 HG11 VAL 29 1HG1 VAL 29 -5.386 4.527 1.090 222 HG12 VAL 29 2HG1 VAL 29 -5.738 5.791 2.267 223 HG13 VAL 29 3HG1 VAL 29 -6.899 4.492 1.996 224 HG21 VAL 29 1HG2 VAL 29 -6.427 2.209 2.792 225 HG22 VAL 29 2HG2 VAL 29 -4.938 1.857 3.670 226 HG23 VAL 29 3HG2 VAL 29 -4.888 2.166 1.936 227 H ILE 30 H ILE 30 -2.582 5.981 1.798 228 HA ILE 30 HA ILE 30 -2.597 8.131 3.827 229 HB ILE 30 HB ILE 30 -1.367 7.996 1.061 230 HG12 ILE 30 2HG1 ILE 30 -0.201 6.482 2.578 231 HG13 ILE 30 1HG1 ILE 30 0.808 7.872 2.199 232 HG21 ILE 30 1HG2 ILE 30 -1.060 10.104 3.203 233 HG22 ILE 30 2HG2 ILE 30 -1.932 10.282 1.680 234 HG23 ILE 30 3HG2 ILE 30 -0.183 10.061 1.672 235 HD11 ILE 30 1HD1 ILE 30 0.998 7.271 4.537 236 HD12 ILE 30 2HD1 ILE 30 -0.742 7.447 4.748 237 HD13 ILE 30 3HD1 ILE 30 0.248 8.859 4.371 238 H ARG 31 H ARG 31 -3.963 7.337 0.691 239 HA ARG 31 HA ARG 31 -5.938 9.205 1.409 240 HB2 ARG 31 2HB ARG 31 -4.911 10.735 0.306 241 HB3 ARG 31 1HB ARG 31 -3.744 9.588 0.157 242 HG2 ARG 31 2HG ARG 31 -4.255 8.678 -1.885 243 HG3 ARG 31 1HG ARG 31 -5.770 9.539 -2.001 244 HD2 ARG 31 2HD ARG 31 -4.122 10.477 -3.424 245 HD3 ARG 31 1HD ARG 31 -4.529 11.665 -2.176 246 HE ARG 31 HE ARG 31 -2.144 9.954 -1.738 247 HH11 ARG 31 1HH1 ARG 31 -3.317 13.260 -2.343 248 HH12 ARG 31 2HH1 ARG 31 -1.845 13.983 -1.872 249 HH21 ARG 31 1HH2 ARG 31 -0.091 11.006 -1.074 250 HH22 ARG 31 2HH2 ARG 31 0.006 12.650 -1.131 251 H VAL 32 H VAL 32 -7.535 9.016 0.088 252 HA VAL 32 HA VAL 32 -7.750 6.509 -1.423 253 HB VAL 32 HB VAL 32 -9.027 6.302 0.632 254 HG11 VAL 32 1HG1 VAL 32 -9.546 8.614 1.088 255 HG12 VAL 32 2HG1 VAL 32 -11.022 7.651 1.092 256 HG13 VAL 32 3HG1 VAL 32 -10.637 8.670 -0.296 257 HG21 VAL 32 1HG2 VAL 32 -9.874 5.101 -1.294 258 HG22 VAL 32 2HG2 VAL 32 -10.816 6.506 -1.788 259 HG23 VAL 32 3HG2 VAL 32 -11.219 5.657 -0.296 260 H LYS 33 H LYS 33 -8.106 6.697 -3.458 261 HA LYS 33 HA LYS 33 -9.854 8.812 -4.477 262 HB2 LYS 33 2HB LYS 33 -7.339 7.794 -5.234 263 HB3 LYS 33 1HB LYS 33 -8.372 7.793 -6.636 264 HG2 LYS 33 2HG LYS 33 -7.293 9.906 -6.679 265 HG3 LYS 33 1HG LYS 33 -8.814 10.290 -5.874 266 HD2 LYS 33 2HD LYS 33 -7.273 9.452 -3.823 267 HD3 LYS 33 1HD LYS 33 -6.086 10.195 -4.813 268 HE2 LYS 33 2HE LYS 33 -7.003 11.898 -3.295 269 HE3 LYS 33 1HE LYS 33 -7.448 12.282 -4.958 270 HZ1 LYS 33 1HZ LYS 33 -9.226 10.864 -3.027 271 HZ2 LYS 33 2HZ LYS 33 -9.660 11.386 -4.567 272 HZ3 LYS 33 3HZ LYS 33 -9.330 12.517 -3.363 273 H SER 34 H SER 34 -8.553 5.760 -5.710 274 HA SER 34 HA SER 34 -10.886 4.450 -5.446 275 HB2 SER 34 2HB SER 34 -11.643 5.872 -7.353 276 HB3 SER 34 1HB SER 34 -10.285 5.302 -8.318 277 HG SER 34 HG SER 34 -12.678 4.251 -8.103 278 H GLY 35 H GLY 35 -10.525 2.354 -7.192 279 HA2 GLY 35 2HA GLY 35 -8.132 1.126 -6.152 280 HA3 GLY 35 1HA GLY 35 -9.286 0.380 -7.239 281 H GLY 36 H GLY 36 -6.950 2.951 -7.323 282 HA2 GLY 36 2HA GLY 36 -5.142 1.979 -9.193 283 HA3 GLY 36 1HA GLY 36 -6.380 2.864 -10.089 284 H ARG 37 H ARG 37 -6.846 4.615 -7.663 285 HA ARG 37 HA ARG 37 -4.463 6.301 -7.855 286 HB2 ARG 37 2HB ARG 37 -7.076 6.638 -8.710 287 HB3 ARG 37 1HB ARG 37 -6.768 7.634 -7.278 288 HG2 ARG 37 2HG ARG 37 -4.950 7.682 -9.657 289 HG3 ARG 37 1HG ARG 37 -6.229 8.872 -9.377 290 HD2 ARG 37 2HD ARG 37 -5.319 9.473 -7.324 291 HD3 ARG 37 1HD ARG 37 -4.108 8.281 -7.295 292 HE ARG 37 HE ARG 37 -4.186 10.460 -9.300 293 HH11 ARG 37 1HH1 ARG 37 -2.319 8.326 -7.188 294 HH12 ARG 37 2HH1 ARG 37 -0.820 9.073 -7.458 295 HH21 ARG 37 1HH2 ARG 37 -2.102 11.527 -9.725 296 HH22 ARG 37 2HH2 ARG 37 -0.693 10.970 -8.968 297 H VAL 38 H VAL 38 -5.609 4.281 -6.003 298 HA VAL 38 HA VAL 38 -5.858 5.819 -3.561 299 HB VAL 38 HB VAL 38 -5.674 3.538 -2.373 300 HG11 VAL 38 1HG1 VAL 38 -8.026 2.960 -2.798 301 HG12 VAL 38 2HG1 VAL 38 -8.018 4.029 -4.199 302 HG13 VAL 38 3HG1 VAL 38 -7.791 4.694 -2.582 303 HG21 VAL 38 1HG2 VAL 38 -6.267 1.553 -3.706 304 HG22 VAL 38 2HG2 VAL 38 -4.720 2.242 -4.203 305 HG23 VAL 38 3HG2 VAL 38 -6.162 2.523 -5.176 306 H VAL 39 H VAL 39 -4.301 6.332 -2.274 307 HA VAL 39 HA VAL 39 -1.659 5.440 -3.153 308 HB VAL 39 HB VAL 39 -2.353 8.120 -1.911 309 HG11 VAL 39 1HG1 VAL 39 -0.118 7.368 -1.422 310 HG12 VAL 39 2HG1 VAL 39 -0.092 8.735 -2.542 311 HG13 VAL 39 3HG1 VAL 39 0.188 7.096 -3.137 312 HG21 VAL 39 1HG2 VAL 39 -1.685 7.448 -4.772 313 HG22 VAL 39 2HG2 VAL 39 -1.921 9.070 -4.121 314 HG23 VAL 39 3HG2 VAL 39 -3.270 7.935 -4.173 315 H VAL 40 H VAL 40 -0.503 4.423 -1.789 316 HA VAL 40 HA VAL 40 -1.209 4.453 1.058 317 HB VAL 40 HB VAL 40 -0.795 2.033 1.147 318 HG11 VAL 40 1HG1 VAL 40 -3.108 2.711 0.841 319 HG12 VAL 40 2HG1 VAL 40 -2.799 1.207 -0.023 320 HG13 VAL 40 3HG1 VAL 40 -2.888 2.730 -0.906 321 HG21 VAL 40 1HG2 VAL 40 -0.595 2.132 -1.867 322 HG22 VAL 40 2HG2 VAL 40 -0.555 0.676 -0.865 323 HG23 VAL 40 3HG2 VAL 40 0.745 1.859 -0.756 324 H GLN 41 H GLN 41 0.527 3.966 2.363 325 HA GLN 41 HA GLN 41 3.152 4.232 1.053 326 HB2 GLN 41 2HB GLN 41 2.431 6.301 2.180 327 HB3 GLN 41 1HB GLN 41 2.243 5.405 3.668 328 HG2 GLN 41 2HG GLN 41 4.710 4.917 3.574 329 HG3 GLN 41 1HG GLN 41 4.799 6.015 2.202 330 HE21 GLN 41 1HE2 GLN 41 4.359 8.230 2.524 331 HE22 GLN 41 2HE2 GLN 41 4.443 8.918 4.094 332 H SER 42 H SER 42 4.391 2.582 1.408 333 HA SER 42 HA SER 42 3.741 0.644 3.443 334 HB2 SER 42 2HB SER 42 4.719 -0.054 1.205 335 HB3 SER 42 1HB SER 42 6.219 0.746 1.665 336 HG SER 42 HG SER 42 4.990 -1.466 2.892 337 H ASP 43 H ASP 43 5.661 -0.087 4.836 338 HA ASP 43 HA ASP 43 6.263 2.188 6.492 339 HB2 ASP 43 2HB ASP 43 6.787 -0.758 6.881 340 HB3 ASP 43 1HB ASP 43 7.404 0.447 8.011 341 H GLN 44 H GLN 44 7.640 1.107 3.909 342 HA GLN 44 HA GLN 44 10.434 1.607 4.554 343 HB2 GLN 44 2HB GLN 44 9.082 1.251 1.878 344 HB3 GLN 44 1HB GLN 44 10.804 1.172 2.195 345 HG2 GLN 44 2HG GLN 44 10.503 -0.878 3.454 346 HG3 GLN 44 1HG GLN 44 8.751 -0.762 3.251 347 HE21 GLN 44 1HE2 GLN 44 7.843 -1.128 1.214 348 HE22 GLN 44 2HE2 GLN 44 8.699 -1.872 -0.059 349 H GLY 45 H GLY 45 7.734 3.444 4.203 350 HA2 GLY 45 2HA GLY 45 7.442 5.715 4.014 351 HA3 GLY 45 1HA GLY 45 9.134 5.906 3.608 352 H ARG 46 H ARG 46 7.558 3.545 1.757 353 HA ARG 46 HA ARG 46 7.767 5.164 -0.573 354 HB2 ARG 46 2HB ARG 46 7.170 2.279 -0.024 355 HB3 ARG 46 1HB ARG 46 7.216 2.986 -1.627 356 HG2 ARG 46 2HG ARG 46 9.560 3.547 -1.349 357 HG3 ARG 46 1HG ARG 46 9.518 2.975 0.318 358 HD2 ARG 46 2HD ARG 46 9.076 0.726 -0.434 359 HD3 ARG 46 1HD ARG 46 9.005 1.252 -2.109 360 HE ARG 46 HE ARG 46 11.440 2.039 -0.994 361 HH11 ARG 46 1HH1 ARG 46 9.814 -0.994 -1.944 362 HH12 ARG 46 2HH1 ARG 46 11.218 -1.837 -2.255 363 HH21 ARG 46 1HH2 ARG 46 13.449 0.833 -1.454 364 HH22 ARG 46 2HH2 ARG 46 13.342 -0.789 -1.980 365 H GLU 47 H GLU 47 6.061 6.530 -0.702 366 HA GLU 47 HA GLU 47 3.331 5.500 -0.371 367 HB2 GLU 47 2HB GLU 47 4.093 7.715 0.661 368 HB3 GLU 47 1HB GLU 47 4.220 8.326 -0.985 369 HG2 GLU 47 2HG GLU 47 1.864 7.787 -1.343 370 HG3 GLU 47 1HG GLU 47 1.734 7.263 0.329 371 H PHE 48 H PHE 48 2.324 4.819 -2.086 372 HA PHE 48 HA PHE 48 2.831 6.025 -4.662 373 HB2 PHE 48 2HB PHE 48 3.223 3.834 -5.775 374 HB3 PHE 48 1HB PHE 48 4.516 4.283 -4.676 375 HD1 PHE 48 HD1 PHE 48 1.908 1.870 -5.435 376 HD2 PHE 48 HD2 PHE 48 4.756 3.094 -2.517 377 HE1 PHE 48 HE1 PHE 48 1.709 -0.315 -4.321 378 HE2 PHE 48 HE2 PHE 48 4.558 0.918 -1.404 379 HZ PHE 48 HZ PHE 48 3.041 -0.787 -2.300 380 H THR 49 H THR 49 1.352 5.081 -6.315 381 HA THR 49 HA THR 49 -1.241 4.661 -5.068 382 HB THR 49 HB THR 49 -1.088 6.652 -6.533 383 HG1 THR 49 HG1 THR 49 -2.686 4.854 -7.966 384 HG21 THR 49 1HG2 THR 49 -0.754 6.459 -8.959 385 HG22 THR 49 2HG2 THR 49 -0.392 4.742 -8.768 386 HG23 THR 49 3HG2 THR 49 0.682 5.952 -8.069 387 H ALA 50 H ALA 50 -2.317 2.806 -5.444 388 HA ALA 50 HA ALA 50 -0.951 0.839 -7.158 389 HB1 ALA 50 1HB ALA 50 -0.548 0.379 -4.786 390 HB2 ALA 50 2HB ALA 50 -1.522 -0.885 -5.539 391 HB3 ALA 50 3HB ALA 50 -2.288 0.320 -4.506 392 H ARG 51 H ARG 51 -2.265 -0.793 -8.012 393 HA ARG 51 HA ARG 51 -4.936 0.117 -8.760 394 HB2 ARG 51 2HB ARG 51 -3.268 -2.269 -9.562 395 HB3 ARG 51 1HB ARG 51 -4.907 -2.005 -10.130 396 HG2 ARG 51 2HG ARG 51 -4.255 -0.030 -11.301 397 HG3 ARG 51 1HG ARG 51 -2.648 -0.067 -10.571 398 HD2 ARG 51 2HD ARG 51 -2.706 -0.902 -12.921 399 HD3 ARG 51 1HD ARG 51 -2.079 -2.072 -11.766 400 HE ARG 51 HE ARG 51 -4.692 -2.727 -11.918 401 HH11 ARG 51 1HH1 ARG 51 -2.320 -2.178 -14.482 402 HH12 ARG 51 2HH1 ARG 51 -2.925 -3.380 -15.523 403 HH21 ARG 51 1HH2 ARG 51 -5.517 -4.423 -13.297 404 HH22 ARG 51 2HH2 ARG 51 -4.832 -4.704 -14.826 405 H GLY 52 H GLY 52 -6.825 -1.243 -8.464 406 HA2 GLY 52 2HA GLY 52 -6.925 -2.443 -5.870 407 HA3 GLY 52 1HA GLY 52 -8.241 -2.453 -7.028 408 H ASN 53 H ASN 53 -5.460 -3.625 -8.339 409 HA ASN 53 HA ASN 53 -6.247 -6.424 -7.974 410 HB2 ASN 53 2HB ASN 53 -4.378 -5.162 -10.008 411 HB3 ASN 53 1HB ASN 53 -4.833 -6.858 -9.960 412 HD21 ASN 53 1HD2 ASN 53 -7.633 -6.274 -9.308 413 HD22 ASN 53 2HD2 ASN 53 -8.336 -5.683 -10.760 414 H GLN 54 H GLN 54 -4.183 -4.059 -6.882 415 HA GLN 54 HA GLN 54 -1.927 -5.832 -6.279 416 HB2 GLN 54 2HB GLN 54 -2.218 -2.881 -6.621 417 HB3 GLN 54 1HB GLN 54 -0.801 -3.548 -5.869 418 HG2 GLN 54 2HG GLN 54 -0.326 -4.770 -7.952 419 HG3 GLN 54 1HG GLN 54 -1.762 -4.034 -8.676 420 HE21 GLN 54 1HE2 GLN 54 1.415 -3.424 -7.390 421 HE22 GLN 54 2HE2 GLN 54 1.630 -1.878 -8.104 422 H VAL 55 H VAL 55 -4.717 -4.713 -4.909 423 HA VAL 55 HA VAL 55 -3.482 -4.377 -2.246 424 HB VAL 55 HB VAL 55 -6.001 -2.981 -2.947 425 HG11 VAL 55 1HG1 VAL 55 -3.975 -2.412 -0.829 426 HG12 VAL 55 2HG1 VAL 55 -5.565 -3.148 -0.651 427 HG13 VAL 55 3HG1 VAL 55 -5.426 -1.455 -1.123 428 HG21 VAL 55 1HG2 VAL 55 -4.506 -2.031 -4.610 429 HG22 VAL 55 2HG2 VAL 55 -3.299 -1.679 -3.377 430 HG23 VAL 55 3HG2 VAL 55 -4.841 -0.824 -3.370 431 H ARG 56 H ARG 56 -4.317 -5.370 -0.743 432 HA ARG 56 HA ARG 56 -6.956 -6.431 -1.035 433 HB2 ARG 56 2HB ARG 56 -4.465 -7.870 -0.199 434 HB3 ARG 56 1HB ARG 56 -6.103 -8.479 -0.005 435 HG2 ARG 56 2HG ARG 56 -4.945 -7.629 -2.575 436 HG3 ARG 56 1HG ARG 56 -4.757 -9.266 -2.082 437 HD2 ARG 56 2HD ARG 56 -7.254 -7.693 -2.813 438 HD3 ARG 56 1HD ARG 56 -6.628 -9.136 -3.592 439 HE ARG 56 HE ARG 56 -7.754 -9.259 -0.858 440 HH11 ARG 56 1HH1 ARG 56 -7.823 -10.328 -4.231 441 HH12 ARG 56 2HH1 ARG 56 -9.058 -11.487 -3.991 442 HH21 ARG 56 1HH2 ARG 56 -9.433 -10.769 -0.521 443 HH22 ARG 56 2HH2 ARG 56 -10.019 -11.758 -1.758 444 H LEU 57 H LEU 57 -7.813 -6.673 0.946 445 HA LEU 57 HA LEU 57 -6.998 -4.826 2.993 446 HB2 LEU 57 2HB LEU 57 -9.065 -7.028 3.125 447 HB3 LEU 57 1HB LEU 57 -8.916 -5.696 4.249 448 HG LEU 57 HG LEU 57 -9.692 -5.470 1.341 449 HD11 LEU 57 1HD1 LEU 57 -11.330 -5.187 3.852 450 HD12 LEU 57 2HD1 LEU 57 -11.429 -6.503 2.682 451 HD13 LEU 57 3HD1 LEU 57 -11.893 -4.868 2.211 452 HD21 LEU 57 1HD2 LEU 57 -10.221 -3.145 1.901 453 HD22 LEU 57 2HD2 LEU 57 -8.502 -3.491 2.075 454 HD23 LEU 57 3HD2 LEU 57 -9.529 -3.377 3.508 455 H ILE 58 H ILE 58 -7.300 -6.008 5.377 456 HA ILE 58 HA ILE 58 -5.039 -7.706 5.570 457 HB ILE 58 HB ILE 58 -5.655 -7.939 7.995 458 HG12 ILE 58 2HG1 ILE 58 -7.695 -5.794 7.305 459 HG13 ILE 58 1HG1 ILE 58 -8.073 -7.435 7.803 460 HG21 ILE 58 1HG2 ILE 58 -5.205 -5.170 6.871 461 HG22 ILE 58 2HG2 ILE 58 -3.968 -6.370 7.248 462 HG23 ILE 58 3HG2 ILE 58 -4.903 -5.630 8.546 463 HD11 ILE 58 1HD1 ILE 58 -7.085 -6.987 9.996 464 HD12 ILE 58 2HD1 ILE 58 -8.389 -5.861 9.622 465 HD13 ILE 58 3HD1 ILE 58 -6.709 -5.341 9.486 466 H GLU 59 H GLU 59 -5.608 -9.230 4.246 467 HA GLU 59 HA GLU 59 -7.366 -11.406 5.202 468 HB2 GLU 59 2HB GLU 59 -6.549 -10.732 2.361 469 HB3 GLU 59 1HB GLU 59 -7.744 -11.906 2.870 470 HG2 GLU 59 2HG GLU 59 -9.284 -10.189 3.471 471 HG3 GLU 59 1HG GLU 59 -8.045 -8.944 3.292 Start of MODEL 6 1 H1 SER 1 1H SER 1 -18.215 2.406 -4.688 2 H2 SER 1 2H SER 1 -16.840 2.453 -5.730 3 H3 SER 1 3H SER 1 -16.851 3.370 -4.328 4 HA SER 1 HA SER 1 -15.464 1.499 -4.188 5 HB2 SER 1 2HB SER 1 -17.851 1.294 -2.347 6 HB3 SER 1 1HB SER 1 -16.175 0.874 -1.978 7 HG SER 1 HG SER 1 -15.985 2.863 -1.349 8 H ASN 2 H ASN 2 -16.046 0.400 -6.283 9 HA ASN 2 HA ASN 2 -17.415 -2.128 -5.682 10 HB2 ASN 2 2HB ASN 2 -17.016 -0.730 -8.345 11 HB3 ASN 2 1HB ASN 2 -17.629 -2.366 -8.190 12 HD21 ASN 2 1HD2 ASN 2 -19.230 -1.614 -5.734 13 HD22 ASN 2 2HD2 ASN 2 -20.563 -0.741 -6.400 14 H ALA 3 H ALA 3 -16.363 -3.619 -7.793 15 HA ALA 3 HA ALA 3 -13.955 -4.454 -6.562 16 HB1 ALA 3 1HB ALA 3 -15.576 -6.002 -7.547 17 HB2 ALA 3 2HB ALA 3 -13.949 -6.241 -8.186 18 HB3 ALA 3 3HB ALA 3 -15.161 -5.400 -9.153 19 H MET 4 H MET 4 -14.269 -1.923 -8.616 20 HA MET 4 HA MET 4 -11.680 -2.411 -9.929 21 HB2 MET 4 2HB MET 4 -13.584 -1.716 -11.376 22 HB3 MET 4 1HB MET 4 -13.739 -0.241 -10.438 23 HG2 MET 4 2HG MET 4 -11.522 0.469 -11.178 24 HG3 MET 4 1HG MET 4 -11.352 -1.021 -12.102 25 HE1 MET 4 1HE MET 4 -10.940 1.884 -13.351 26 HE2 MET 4 2HE MET 4 -11.781 1.698 -14.891 27 HE3 MET 4 3HE MET 4 -10.771 0.391 -14.274 28 H GLU 5 H GLU 5 -12.955 -1.138 -7.234 29 HA GLU 5 HA GLU 5 -11.023 1.070 -6.888 30 HB2 GLU 5 2HB GLU 5 -13.757 0.601 -5.706 31 HB3 GLU 5 1HB GLU 5 -12.705 1.958 -5.360 32 HG2 GLU 5 2HG GLU 5 -12.995 2.845 -7.539 33 HG3 GLU 5 1HG GLU 5 -13.812 1.377 -8.088 34 H LEU 6 H LEU 6 -11.767 1.199 -4.145 35 HA LEU 6 HA LEU 6 -10.407 -1.090 -3.054 36 HB2 LEU 6 2HB LEU 6 -10.793 1.736 -2.109 37 HB3 LEU 6 1HB LEU 6 -10.173 0.455 -1.102 38 HG LEU 6 HG LEU 6 -8.814 1.443 -3.608 39 HD11 LEU 6 1HD1 LEU 6 -8.293 2.044 -0.692 40 HD12 LEU 6 2HD1 LEU 6 -8.995 3.159 -1.863 41 HD13 LEU 6 3HD1 LEU 6 -7.331 2.609 -2.062 42 HD21 LEU 6 1HD2 LEU 6 -8.250 -0.860 -2.959 43 HD22 LEU 6 2HD2 LEU 6 -7.895 -0.300 -1.325 44 HD23 LEU 6 3HD2 LEU 6 -6.900 0.240 -2.673 45 H ASP 7 H ASP 7 -11.296 -1.993 -1.422 46 HA ASP 7 HA ASP 7 -14.024 -1.444 -0.561 47 HB2 ASP 7 2HB ASP 7 -13.821 -3.682 0.469 48 HB3 ASP 7 1HB ASP 7 -13.560 -3.777 -1.274 49 H LEU 8 H LEU 8 -11.639 -0.014 -0.016 50 HA LEU 8 HA LEU 8 -11.254 -0.242 2.895 51 HB2 LEU 8 2HB LEU 8 -9.153 0.222 0.793 52 HB3 LEU 8 1HB LEU 8 -8.908 0.151 2.523 53 HG LEU 8 HG LEU 8 -9.874 -2.163 0.852 54 HD11 LEU 8 1HD1 LEU 8 -7.592 -1.590 0.260 55 HD12 LEU 8 2HD1 LEU 8 -7.649 -3.094 1.181 56 HD13 LEU 8 3HD1 LEU 8 -7.149 -1.595 1.965 57 HD21 LEU 8 1HD2 LEU 8 -10.607 -2.255 3.148 58 HD22 LEU 8 2HD2 LEU 8 -8.952 -1.981 3.701 59 HD23 LEU 8 3HD2 LEU 8 -9.364 -3.462 2.829 60 H GLN 9 H GLN 9 -9.966 1.810 3.598 61 HA GLN 9 HA GLN 9 -10.713 4.180 2.077 62 HB2 GLN 9 2HB GLN 9 -11.339 3.601 4.975 63 HB3 GLN 9 1HB GLN 9 -11.310 5.229 4.336 64 HG2 GLN 9 2HG GLN 9 -13.105 3.031 3.326 65 HG3 GLN 9 1HG GLN 9 -13.585 4.284 4.472 66 HE21 GLN 9 1HE2 GLN 9 -12.686 3.615 1.179 67 HE22 GLN 9 2HE2 GLN 9 -13.265 5.111 0.522 68 HA PRO 10 HA PRO 10 -6.662 5.542 3.279 69 HB2 PRO 10 2HB PRO 10 -7.501 8.207 4.081 70 HB3 PRO 10 1HB PRO 10 -6.606 7.713 2.655 71 HG2 PRO 10 2HG PRO 10 -9.169 8.628 2.531 72 HG3 PRO 10 1HG PRO 10 -8.406 7.593 1.314 73 HD2 PRO 10 2HD PRO 10 -10.367 6.873 3.409 74 HD3 PRO 10 1HD PRO 10 -10.121 6.164 1.817 75 H GLY 11 H GLY 11 -5.475 5.497 5.073 76 HA2 GLY 11 2HA GLY 11 -5.029 5.903 7.375 77 HA3 GLY 11 1HA GLY 11 -6.763 6.001 7.664 78 H ASP 12 H ASP 12 -6.352 3.488 5.632 79 HA ASP 12 HA ASP 12 -6.839 1.521 7.680 80 HB2 ASP 12 2HB ASP 12 -7.800 1.759 5.227 81 HB3 ASP 12 1HB ASP 12 -6.359 0.869 4.800 82 H VAL 13 H VAL 13 -5.632 -0.510 7.709 83 HA VAL 13 HA VAL 13 -2.794 -0.148 7.194 84 HB VAL 13 HB VAL 13 -3.270 -0.097 9.578 85 HG11 VAL 13 1HG1 VAL 13 -4.479 -2.831 9.312 86 HG12 VAL 13 2HG1 VAL 13 -5.299 -1.336 9.761 87 HG13 VAL 13 3HG1 VAL 13 -4.095 -2.040 10.842 88 HG21 VAL 13 1HG2 VAL 13 -1.720 -1.874 10.354 89 HG22 VAL 13 2HG2 VAL 13 -1.133 -1.013 8.930 90 HG23 VAL 13 3HG2 VAL 13 -1.836 -2.621 8.761 91 H VAL 14 H VAL 14 -2.343 -1.247 5.468 92 HA VAL 14 HA VAL 14 -3.881 -3.696 4.882 93 HB VAL 14 HB VAL 14 -3.906 -2.979 2.551 94 HG11 VAL 14 1HG1 VAL 14 -5.444 -1.048 2.784 95 HG12 VAL 14 2HG1 VAL 14 -5.037 -0.981 4.501 96 HG13 VAL 14 3HG1 VAL 14 -5.847 -2.399 3.839 97 HG21 VAL 14 1HG2 VAL 14 -2.662 -0.423 3.571 98 HG22 VAL 14 2HG2 VAL 14 -3.258 -0.688 1.934 99 HG23 VAL 14 3HG2 VAL 14 -1.883 -1.618 2.536 100 H LYS 15 H LYS 15 -2.921 -4.807 3.020 101 HA LYS 15 HA LYS 15 0.004 -4.773 2.983 102 HB2 LYS 15 2HB LYS 15 -0.293 -7.143 2.160 103 HB3 LYS 15 1HB LYS 15 -0.704 -6.906 3.849 104 HG2 LYS 15 2HG LYS 15 -3.023 -6.868 3.336 105 HG3 LYS 15 1HG LYS 15 -2.694 -6.896 1.612 106 HD2 LYS 15 2HD LYS 15 -1.675 -9.085 1.887 107 HD3 LYS 15 1HD LYS 15 -2.106 -9.058 3.613 108 HE2 LYS 15 2HE LYS 15 -4.443 -8.752 2.999 109 HE3 LYS 15 1HE LYS 15 -4.014 -8.824 1.296 110 HZ1 LYS 15 1HZ LYS 15 -3.977 -11.058 3.243 111 HZ2 LYS 15 2HZ LYS 15 -3.203 -11.169 1.738 112 HZ3 LYS 15 3HZ LYS 15 -4.865 -10.886 1.820 113 H VAL 16 H VAL 16 0.849 -4.411 1.010 114 HA VAL 16 HA VAL 16 -0.954 -4.439 -1.316 115 HB VAL 16 HB VAL 16 1.082 -2.283 -0.709 116 HG11 VAL 16 1HG1 VAL 16 0.942 -2.735 -3.103 117 HG12 VAL 16 2HG1 VAL 16 0.232 -1.165 -2.726 118 HG13 VAL 16 3HG1 VAL 16 -0.811 -2.550 -3.048 119 HG21 VAL 16 1HG2 VAL 16 -0.854 -1.983 0.657 120 HG22 VAL 16 2HG2 VAL 16 -1.891 -2.292 -0.728 121 HG23 VAL 16 3HG2 VAL 16 -0.957 -0.806 -0.667 122 H LEU 17 H LEU 17 -0.130 -5.419 -2.984 123 HA LEU 17 HA LEU 17 2.600 -6.362 -2.710 124 HB2 LEU 17 2HB LEU 17 0.862 -8.033 -3.198 125 HB3 LEU 17 1HB LEU 17 0.433 -7.210 -4.666 126 HG LEU 17 HG LEU 17 3.156 -8.486 -4.241 127 HD11 LEU 17 1HD1 LEU 17 1.432 -10.184 -3.958 128 HD12 LEU 17 2HD1 LEU 17 2.295 -10.416 -5.478 129 HD13 LEU 17 3HD1 LEU 17 0.685 -9.695 -5.479 130 HD21 LEU 17 1HD2 LEU 17 3.232 -8.539 -6.690 131 HD22 LEU 17 2HD2 LEU 17 3.005 -6.888 -6.114 132 HD23 LEU 17 3HD2 LEU 17 1.637 -7.792 -6.765 133 H GLU 18 H GLU 18 3.916 -4.825 -3.283 134 HA GLU 18 HA GLU 18 3.331 -2.861 -5.214 135 HB2 GLU 18 2HB GLU 18 4.935 -2.442 -3.433 136 HB3 GLU 18 1HB GLU 18 6.010 -3.676 -4.081 137 HG2 GLU 18 2HG GLU 18 6.362 -2.395 -6.074 138 HG3 GLU 18 1HG GLU 18 5.200 -1.184 -5.568 139 H SER 19 H SER 19 5.652 -5.517 -5.303 140 HA SER 19 HA SER 19 5.146 -5.892 -8.115 141 HB2 SER 19 2HB SER 19 7.820 -5.119 -6.962 142 HB3 SER 19 1HB SER 19 7.655 -5.858 -8.569 143 HG SER 19 HG SER 19 6.025 -3.675 -8.023 144 H ALA 20 H ALA 20 6.162 -7.906 -8.890 145 HA ALA 20 HA ALA 20 5.530 -10.037 -7.196 146 HB1 ALA 20 1HB ALA 20 7.173 -10.114 -9.720 147 HB2 ALA 20 2HB ALA 20 5.412 -10.145 -9.643 148 HB3 ALA 20 3HB ALA 20 6.349 -11.479 -8.969 149 H ALA 21 H ALA 21 8.541 -8.387 -7.643 150 HA ALA 21 HA ALA 21 10.093 -10.523 -6.434 151 HB1 ALA 21 1HB ALA 21 12.019 -9.075 -6.836 152 HB2 ALA 21 2HB ALA 21 10.942 -7.767 -7.326 153 HB3 ALA 21 3HB ALA 21 11.042 -9.236 -8.297 154 H LEU 22 H LEU 22 8.015 -8.511 -5.151 155 HA LEU 22 HA LEU 22 9.600 -8.083 -2.711 156 HB2 LEU 22 2HB LEU 22 7.563 -6.183 -3.880 157 HB3 LEU 22 1HB LEU 22 8.292 -6.008 -2.298 158 HG LEU 22 HG LEU 22 9.777 -5.869 -4.928 159 HD11 LEU 22 1HD1 LEU 22 8.972 -3.701 -2.999 160 HD12 LEU 22 2HD1 LEU 22 8.301 -3.968 -4.608 161 HD13 LEU 22 3HD1 LEU 22 9.988 -3.487 -4.425 162 HD21 LEU 22 1HD2 LEU 22 11.650 -5.057 -3.561 163 HD22 LEU 22 2HD2 LEU 22 11.195 -6.700 -3.120 164 HD23 LEU 22 3HD2 LEU 22 10.708 -5.347 -2.099 165 H GLY 23 H GLY 23 6.350 -8.303 -4.099 166 HA2 GLY 23 2HA GLY 23 4.662 -9.749 -3.357 167 HA3 GLY 23 1HA GLY 23 5.575 -10.023 -1.886 168 H TRP 24 H TRP 24 3.547 -9.719 -0.889 169 HA TRP 24 HA TRP 24 2.276 -7.178 -0.791 170 HB2 TRP 24 2HB TRP 24 2.042 -9.609 0.994 171 HB3 TRP 24 1HB TRP 24 1.011 -8.192 1.092 172 HD1 TRP 24 HD1 TRP 24 1.567 -11.356 -0.947 173 HE1 TRP 24 HE1 TRP 24 -0.416 -11.644 -2.588 174 HE3 TRP 24 HE3 TRP 24 -0.677 -6.848 -0.278 175 HZ2 TRP 24 HZ2 TRP 24 -2.666 -10.094 -3.486 176 HZ3 TRP 24 HZ3 TRP 24 -2.683 -6.316 -1.561 177 HH2 TRP 24 HH2 TRP 24 -3.652 -7.914 -3.129 178 H VAL 25 H VAL 25 3.262 -5.503 0.091 179 HA VAL 25 HA VAL 25 4.894 -5.860 2.496 180 HB VAL 25 HB VAL 25 5.689 -3.514 2.116 181 HG11 VAL 25 1HG1 VAL 25 6.953 -5.314 1.094 182 HG12 VAL 25 2HG1 VAL 25 6.974 -3.878 0.071 183 HG13 VAL 25 3HG1 VAL 25 5.930 -5.238 -0.340 184 HG21 VAL 25 1HG2 VAL 25 3.681 -2.595 1.062 185 HG22 VAL 25 2HG2 VAL 25 3.962 -3.585 -0.367 186 HG23 VAL 25 3HG2 VAL 25 5.103 -2.309 0.060 187 H ARG 26 H ARG 26 4.476 -4.442 4.304 188 HA ARG 26 HA ARG 26 1.661 -4.071 4.783 189 HB2 ARG 26 2HB ARG 26 3.265 -4.762 6.551 190 HB3 ARG 26 1HB ARG 26 4.070 -3.206 6.409 191 HG2 ARG 26 2HG ARG 26 1.897 -2.138 7.079 192 HG3 ARG 26 1HG ARG 26 1.286 -3.762 7.413 193 HD2 ARG 26 2HD ARG 26 3.211 -4.096 8.956 194 HD3 ARG 26 1HD ARG 26 3.651 -2.410 8.702 195 HE ARG 26 HE ARG 26 1.013 -3.124 9.717 196 HH11 ARG 26 1HH1 ARG 26 4.046 -1.293 10.095 197 HH12 ARG 26 2HH1 ARG 26 3.702 -0.670 11.601 198 HH21 ARG 26 1HH2 ARG 26 0.469 -2.219 11.884 199 HH22 ARG 26 2HH2 ARG 26 1.595 -1.202 12.665 200 H ALA 27 H ALA 27 0.564 -2.160 4.686 201 HA ALA 27 HA ALA 27 2.081 0.255 4.246 202 HB1 ALA 27 1HB ALA 27 0.086 -0.653 2.187 203 HB2 ALA 27 2HB ALA 27 1.836 -0.772 2.020 204 HB3 ALA 27 3HB ALA 27 1.076 0.811 2.160 205 H ARG 28 H ARG 28 0.815 2.108 4.119 206 HA ARG 28 HA ARG 28 -1.728 2.062 5.636 207 HB2 ARG 28 2HB ARG 28 0.414 4.197 5.364 208 HB3 ARG 28 1HB ARG 28 -1.049 4.320 6.328 209 HG2 ARG 28 2HG ARG 28 1.049 2.231 6.848 210 HG3 ARG 28 1HG ARG 28 1.108 3.842 7.568 211 HD2 ARG 28 2HD ARG 28 -1.232 1.964 7.813 212 HD3 ARG 28 1HD ARG 28 0.055 2.099 9.014 213 HE ARG 28 HE ARG 28 -0.587 4.548 9.011 214 HH11 ARG 28 1HH1 ARG 28 -2.968 1.962 8.514 215 HH12 ARG 28 2HH1 ARG 28 -4.258 2.833 9.178 216 HH21 ARG 28 1HH2 ARG 28 -2.423 5.723 10.007 217 HH22 ARG 28 2HH2 ARG 28 -3.945 4.958 10.078 218 H VAL 29 H VAL 29 -3.377 2.512 4.293 219 HA VAL 29 HA VAL 29 -2.991 3.727 1.675 220 HB VAL 29 HB VAL 29 -5.517 3.458 3.306 221 HG11 VAL 29 1HG1 VAL 29 -6.672 3.582 1.110 222 HG12 VAL 29 2HG1 VAL 29 -5.111 3.751 0.312 223 HG13 VAL 29 3HG1 VAL 29 -5.683 5.017 1.395 224 HG21 VAL 29 1HG2 VAL 29 -6.000 1.404 2.042 225 HG22 VAL 29 2HG2 VAL 29 -4.543 1.256 3.025 226 HG23 VAL 29 3HG2 VAL 29 -4.412 1.510 1.286 227 H ILE 30 H ILE 30 -2.305 5.684 1.502 228 HA ILE 30 HA ILE 30 -3.065 7.616 3.527 229 HB ILE 30 HB ILE 30 -1.391 7.991 1.026 230 HG12 ILE 30 2HG1 ILE 30 -0.618 7.795 3.947 231 HG13 ILE 30 1HG1 ILE 30 -0.217 6.652 2.672 232 HG21 ILE 30 1HG2 ILE 30 -2.554 10.071 1.623 233 HG22 ILE 30 2HG2 ILE 30 -0.825 10.213 1.933 234 HG23 ILE 30 3HG2 ILE 30 -1.940 9.948 3.272 235 HD11 ILE 30 1HD1 ILE 30 1.199 8.317 1.603 236 HD12 ILE 30 2HD1 ILE 30 1.681 8.078 3.290 237 HD13 ILE 30 3HD1 ILE 30 0.748 9.497 2.830 238 H ARG 31 H ARG 31 -3.833 7.058 0.125 239 HA ARG 31 HA ARG 31 -6.154 8.525 0.711 240 HB2 ARG 31 2HB ARG 31 -5.315 10.350 0.086 241 HB3 ARG 31 1HB ARG 31 -3.881 9.533 0.110 242 HG2 ARG 31 2HG ARG 31 -3.747 8.890 -2.093 243 HG3 ARG 31 1HG ARG 31 -5.288 9.526 -2.558 244 HD2 ARG 31 2HD ARG 31 -3.664 10.995 -3.325 245 HD3 ARG 31 1HD ARG 31 -4.305 11.821 -1.892 246 HE ARG 31 HE ARG 31 -1.906 10.140 -1.532 247 HH11 ARG 31 1HH1 ARG 31 -3.168 13.456 -1.626 248 HH12 ARG 31 2HH1 ARG 31 -1.716 14.133 -1.035 249 HH21 ARG 31 1HH2 ARG 31 0.023 11.043 -0.750 250 HH22 ARG 31 2HH2 ARG 31 0.178 12.701 -0.520 251 H VAL 32 H VAL 32 -7.391 8.556 -0.959 252 HA VAL 32 HA VAL 32 -7.018 6.519 -3.048 253 HB VAL 32 HB VAL 32 -9.659 7.771 -2.178 254 HG11 VAL 32 1HG1 VAL 32 -9.106 5.401 -3.960 255 HG12 VAL 32 2HG1 VAL 32 -9.677 6.986 -4.477 256 HG13 VAL 32 3HG1 VAL 32 -10.705 5.964 -3.473 257 HG21 VAL 32 1HG2 VAL 32 -10.174 5.587 -1.117 258 HG22 VAL 32 2HG2 VAL 32 -8.829 6.429 -0.351 259 HG23 VAL 32 3HG2 VAL 32 -8.512 5.081 -1.434 260 H LYS 33 H LYS 33 -6.585 7.394 -4.964 261 HA LYS 33 HA LYS 33 -6.760 10.249 -5.348 262 HB2 LYS 33 2HB LYS 33 -5.481 7.988 -6.115 263 HB3 LYS 33 1HB LYS 33 -5.722 8.750 -7.611 264 HG2 LYS 33 2HG LYS 33 -4.324 10.626 -6.836 265 HG3 LYS 33 1HG LYS 33 -4.534 10.140 -5.150 266 HD2 LYS 33 2HD LYS 33 -3.277 8.175 -5.504 267 HD3 LYS 33 1HD LYS 33 -3.105 8.455 -7.198 268 HE2 LYS 33 2HE LYS 33 -1.957 10.165 -4.941 269 HE3 LYS 33 1HE LYS 33 -1.037 9.099 -5.992 270 HZ1 LYS 33 1HZ LYS 33 -2.443 11.580 -6.855 271 HZ2 LYS 33 2HZ LYS 33 -1.518 10.563 -7.853 272 HZ3 LYS 33 3HZ LYS 33 -0.785 11.396 -6.592 273 H SER 34 H SER 34 -7.510 7.429 -7.330 274 HA SER 34 HA SER 34 -10.094 8.161 -7.678 275 HB2 SER 34 2HB SER 34 -9.198 10.037 -9.018 276 HB3 SER 34 1HB SER 34 -8.353 8.897 -10.058 277 HG SER 34 HG SER 34 -10.797 9.821 -10.304 278 H GLY 35 H GLY 35 -10.623 6.051 -7.523 279 HA2 GLY 35 2HA GLY 35 -11.021 3.878 -8.074 280 HA3 GLY 35 1HA GLY 35 -10.749 4.381 -9.730 281 H GLY 36 H GLY 36 -8.572 4.359 -10.478 282 HA2 GLY 36 2HA GLY 36 -7.284 1.892 -9.630 283 HA3 GLY 36 1HA GLY 36 -6.990 2.754 -11.136 284 H ARG 37 H ARG 37 -6.827 5.393 -9.184 285 HA ARG 37 HA ARG 37 -4.112 4.966 -8.669 286 HB2 ARG 37 2HB ARG 37 -6.042 7.016 -8.997 287 HB3 ARG 37 1HB ARG 37 -4.495 7.399 -8.300 288 HG2 ARG 37 2HG ARG 37 -4.875 6.153 -11.042 289 HG3 ARG 37 1HG ARG 37 -4.516 7.867 -10.787 290 HD2 ARG 37 2HD ARG 37 -2.424 7.440 -9.946 291 HD3 ARG 37 1HD ARG 37 -2.694 5.754 -9.630 292 HE ARG 37 HE ARG 37 -2.732 6.779 -12.386 293 HH11 ARG 37 1HH1 ARG 37 -1.069 4.796 -9.929 294 HH12 ARG 37 2HH1 ARG 37 -0.075 3.993 -11.027 295 HH21 ARG 37 1HH2 ARG 37 -1.310 5.657 -13.936 296 HH22 ARG 37 2HH2 ARG 37 -0.205 4.502 -13.372 297 H VAL 38 H VAL 38 -4.000 4.168 -7.006 298 HA VAL 38 HA VAL 38 -5.089 5.385 -4.543 299 HB VAL 38 HB VAL 38 -4.277 2.490 -4.835 300 HG11 VAL 38 1HG1 VAL 38 -5.697 3.884 -2.581 301 HG12 VAL 38 2HG1 VAL 38 -4.032 3.309 -2.592 302 HG13 VAL 38 3HG1 VAL 38 -5.361 2.153 -2.662 303 HG21 VAL 38 1HG2 VAL 38 -6.670 1.872 -4.716 304 HG22 VAL 38 2HG2 VAL 38 -6.299 2.816 -6.158 305 HG23 VAL 38 3HG2 VAL 38 -7.096 3.582 -4.784 306 H VAL 39 H VAL 39 -3.526 5.739 -3.003 307 HA VAL 39 HA VAL 39 -0.877 4.716 -3.554 308 HB VAL 39 HB VAL 39 -0.021 6.812 -2.431 309 HG11 VAL 39 1HG1 VAL 39 -1.139 6.966 -5.240 310 HG12 VAL 39 2HG1 VAL 39 0.436 6.312 -4.776 311 HG13 VAL 39 3HG1 VAL 39 0.110 8.031 -4.594 312 HG21 VAL 39 1HG2 VAL 39 -2.657 7.814 -3.390 313 HG22 VAL 39 2HG2 VAL 39 -1.318 8.837 -2.854 314 HG23 VAL 39 3HG2 VAL 39 -2.092 7.719 -1.721 315 H VAL 40 H VAL 40 0.260 4.110 -1.933 316 HA VAL 40 HA VAL 40 -0.897 4.228 0.760 317 HB VAL 40 HB VAL 40 -0.285 1.840 1.065 318 HG11 VAL 40 1HG1 VAL 40 -2.593 2.330 0.403 319 HG12 VAL 40 2HG1 VAL 40 -2.065 0.807 -0.295 320 HG13 VAL 40 3HG1 VAL 40 -2.123 2.259 -1.291 321 HG21 VAL 40 1HG2 VAL 40 0.258 1.797 -1.910 322 HG22 VAL 40 2HG2 VAL 40 0.447 0.436 -0.788 323 HG23 VAL 40 3HG2 VAL 40 1.495 1.833 -0.669 324 H GLN 41 H GLN 41 0.699 4.042 2.340 325 HA GLN 41 HA GLN 41 3.462 4.436 1.398 326 HB2 GLN 41 2HB GLN 41 2.441 6.398 2.415 327 HB3 GLN 41 1HB GLN 41 2.067 5.477 3.854 328 HG2 GLN 41 2HG GLN 41 4.525 5.158 4.173 329 HG3 GLN 41 1HG GLN 41 4.788 6.259 2.822 330 HE21 GLN 41 1HE2 GLN 41 5.783 7.867 4.021 331 HE22 GLN 41 2HE2 GLN 41 4.920 8.777 5.213 332 H SER 42 H SER 42 4.764 2.897 1.958 333 HA SER 42 HA SER 42 3.901 0.818 3.818 334 HB2 SER 42 2HB SER 42 5.141 0.352 1.614 335 HB3 SER 42 1HB SER 42 6.554 1.036 2.362 336 HG SER 42 HG SER 42 5.137 -1.116 3.499 337 H ASP 43 H ASP 43 5.667 0.017 5.376 338 HA ASP 43 HA ASP 43 5.985 1.887 7.401 339 HB2 ASP 43 2HB ASP 43 7.505 -0.707 6.998 340 HB3 ASP 43 1HB ASP 43 7.404 0.182 8.512 341 H GLN 44 H GLN 44 7.792 1.304 4.689 342 HA GLN 44 HA GLN 44 10.362 2.284 5.524 343 HB2 GLN 44 2HB GLN 44 9.211 1.838 2.764 344 HB3 GLN 44 1HB GLN 44 10.901 2.189 3.106 345 HG2 GLN 44 2HG GLN 44 11.110 0.109 4.345 346 HG3 GLN 44 1HG GLN 44 9.402 -0.230 4.099 347 HE21 GLN 44 1HE2 GLN 44 9.431 0.689 1.311 348 HE22 GLN 44 2HE2 GLN 44 10.270 -0.563 0.448 349 H GLY 45 H GLY 45 7.482 3.816 5.154 350 HA2 GLY 45 2HA GLY 45 7.003 6.060 5.327 351 HA3 GLY 45 1HA GLY 45 8.717 6.393 5.127 352 H ARG 46 H ARG 46 7.617 4.430 2.690 353 HA ARG 46 HA ARG 46 7.780 6.655 0.814 354 HB2 ARG 46 2HB ARG 46 9.402 4.963 0.573 355 HB3 ARG 46 1HB ARG 46 8.194 3.703 0.674 356 HG2 ARG 46 2HG ARG 46 7.304 4.448 -1.503 357 HG3 ARG 46 1HG ARG 46 8.633 5.618 -1.599 358 HD2 ARG 46 2HD ARG 46 10.246 3.897 -1.428 359 HD3 ARG 46 1HD ARG 46 9.022 2.692 -1.119 360 HE ARG 46 HE ARG 46 9.384 4.037 -3.709 361 HH11 ARG 46 1HH1 ARG 46 8.206 1.273 -1.760 362 HH12 ARG 46 2HH1 ARG 46 7.923 0.292 -3.103 363 HH21 ARG 46 1HH2 ARG 46 8.981 2.506 -5.604 364 HH22 ARG 46 2HH2 ARG 46 8.395 0.950 -5.181 365 H GLU 47 H GLU 47 5.864 7.394 0.018 366 HA GLU 47 HA GLU 47 3.524 5.723 -0.087 367 HB2 GLU 47 2HB GLU 47 3.312 8.196 0.358 368 HB3 GLU 47 1HB GLU 47 3.979 8.524 -1.237 369 HG2 GLU 47 2HG GLU 47 2.060 7.328 -2.250 370 HG3 GLU 47 1HG GLU 47 1.375 7.110 -0.648 371 H PHE 48 H PHE 48 2.855 4.684 -1.936 372 HA PHE 48 HA PHE 48 3.965 5.447 -4.478 373 HB2 PHE 48 2HB PHE 48 4.593 3.144 -5.143 374 HB3 PHE 48 1HB PHE 48 5.566 3.723 -3.806 375 HD1 PHE 48 HD1 PHE 48 5.330 2.723 -1.586 376 HD2 PHE 48 HD2 PHE 48 3.084 1.295 -4.907 377 HE1 PHE 48 HE1 PHE 48 4.838 0.651 -0.362 378 HE2 PHE 48 HE2 PHE 48 2.582 -0.774 -3.684 379 HZ PHE 48 HZ PHE 48 3.462 -1.102 -1.411 380 H THR 49 H THR 49 2.810 4.487 -6.281 381 HA THR 49 HA THR 49 0.015 4.354 -5.519 382 HB THR 49 HB THR 49 0.532 6.160 -7.052 383 HG1 THR 49 HG1 THR 49 -1.351 4.534 -7.357 384 HG21 THR 49 1HG2 THR 49 1.540 4.035 -8.958 385 HG22 THR 49 2HG2 THR 49 2.522 5.256 -8.147 386 HG23 THR 49 3HG2 THR 49 1.332 5.741 -9.354 387 H ALA 50 H ALA 50 -1.302 2.745 -5.991 388 HA ALA 50 HA ALA 50 -0.423 0.553 -7.667 389 HB1 ALA 50 1HB ALA 50 -1.315 0.257 -4.787 390 HB2 ALA 50 2HB ALA 50 0.308 -0.055 -5.402 391 HB3 ALA 50 3HB ALA 50 -1.038 -1.072 -5.915 392 H ARG 51 H ARG 51 -2.370 -0.985 -7.812 393 HA ARG 51 HA ARG 51 -4.767 0.591 -8.330 394 HB2 ARG 51 2HB ARG 51 -4.061 -2.305 -8.811 395 HB3 ARG 51 1HB ARG 51 -5.663 -1.658 -9.115 396 HG2 ARG 51 2HG ARG 51 -4.800 -0.198 -10.816 397 HG3 ARG 51 1HG ARG 51 -3.143 -0.670 -10.433 398 HD2 ARG 51 2HD ARG 51 -4.052 -1.808 -12.452 399 HD3 ARG 51 1HD ARG 51 -3.550 -2.923 -11.188 400 HE ARG 51 HE ARG 51 -6.219 -2.537 -10.743 401 HH11 ARG 51 1HH1 ARG 51 -4.386 -3.588 -13.575 402 HH12 ARG 51 2HH1 ARG 51 -5.554 -4.689 -14.134 403 HH21 ARG 51 1HH2 ARG 51 -7.857 -4.104 -11.462 404 HH22 ARG 51 2HH2 ARG 51 -7.610 -4.977 -12.884 405 H GLY 52 H GLY 52 -6.885 -0.076 -7.462 406 HA2 GLY 52 2HA GLY 52 -6.834 -0.659 -4.684 407 HA3 GLY 52 1HA GLY 52 -8.288 -0.614 -5.681 408 H ASN 53 H ASN 53 -6.795 -2.633 -7.351 409 HA ASN 53 HA ASN 53 -7.868 -4.956 -6.010 410 HB2 ASN 53 2HB ASN 53 -6.485 -4.711 -8.693 411 HB3 ASN 53 1HB ASN 53 -7.268 -6.164 -8.099 412 HD21 ASN 53 1HD2 ASN 53 -9.532 -4.724 -6.940 413 HD22 ASN 53 2HD2 ASN 53 -10.493 -4.242 -8.274 414 H GLN 54 H GLN 54 -5.086 -3.326 -5.818 415 HA GLN 54 HA GLN 54 -3.260 -5.642 -5.742 416 HB2 GLN 54 2HB GLN 54 -3.053 -3.595 -7.331 417 HB3 GLN 54 1HB GLN 54 -2.564 -2.739 -5.885 418 HG2 GLN 54 2HG GLN 54 -0.674 -4.218 -5.635 419 HG3 GLN 54 1HG GLN 54 -1.181 -5.119 -7.071 420 HE21 GLN 54 1HE2 GLN 54 1.237 -3.689 -6.645 421 HE22 GLN 54 2HE2 GLN 54 1.361 -2.478 -7.874 422 H VAL 55 H VAL 55 -5.205 -3.875 -3.855 423 HA VAL 55 HA VAL 55 -3.421 -3.767 -1.509 424 HB VAL 55 HB VAL 55 -5.748 -1.925 -1.984 425 HG11 VAL 55 1HG1 VAL 55 -5.247 -2.181 0.289 426 HG12 VAL 55 2HG1 VAL 55 -4.816 -0.547 -0.209 427 HG13 VAL 55 3HG1 VAL 55 -3.558 -1.753 0.043 428 HG21 VAL 55 1HG2 VAL 55 -2.859 -1.205 -2.513 429 HG22 VAL 55 2HG2 VAL 55 -4.199 -0.059 -2.481 430 HG23 VAL 55 3HG2 VAL 55 -4.147 -1.320 -3.713 431 H ARG 56 H ARG 56 -4.124 -4.740 0.149 432 HA ARG 56 HA ARG 56 -6.919 -5.478 0.209 433 HB2 ARG 56 2HB ARG 56 -4.514 -7.123 0.656 434 HB3 ARG 56 1HB ARG 56 -6.160 -7.644 1.000 435 HG2 ARG 56 2HG ARG 56 -5.054 -6.840 -1.632 436 HG3 ARG 56 1HG ARG 56 -5.151 -8.497 -1.169 437 HD2 ARG 56 2HD ARG 56 -7.196 -6.567 -2.107 438 HD3 ARG 56 1HD ARG 56 -7.051 -8.303 -2.394 439 HE ARG 56 HE ARG 56 -8.074 -8.669 -0.193 440 HH11 ARG 56 1HH1 ARG 56 -8.285 -5.327 -1.487 441 HH12 ARG 56 2HH1 ARG 56 -9.749 -4.969 -0.706 442 HH21 ARG 56 1HH2 ARG 56 -10.072 -8.088 0.932 443 HH22 ARG 56 2HH2 ARG 56 -10.764 -6.514 0.685 444 H LEU 57 H LEU 57 -7.634 -5.223 2.197 445 HA LEU 57 HA LEU 57 -6.196 -4.270 4.400 446 HB2 LEU 57 2HB LEU 57 -8.162 -5.239 5.783 447 HB3 LEU 57 1HB LEU 57 -8.455 -3.925 4.675 448 HG LEU 57 HG LEU 57 -9.305 -5.550 3.035 449 HD11 LEU 57 1HD1 LEU 57 -9.110 -7.561 5.273 450 HD12 LEU 57 2HD1 LEU 57 -8.223 -7.571 3.748 451 HD13 LEU 57 3HD1 LEU 57 -9.969 -7.812 3.749 452 HD21 LEU 57 1HD2 LEU 57 -10.724 -5.528 5.691 453 HD22 LEU 57 2HD2 LEU 57 -11.467 -5.965 4.155 454 HD23 LEU 57 3HD2 LEU 57 -10.863 -4.329 4.407 455 H ILE 58 H ILE 58 -6.373 -5.589 6.597 456 HA ILE 58 HA ILE 58 -4.684 -7.766 6.492 457 HB ILE 58 HB ILE 58 -5.434 -8.215 8.932 458 HG12 ILE 58 2HG1 ILE 58 -6.373 -5.958 9.952 459 HG13 ILE 58 1HG1 ILE 58 -6.978 -5.726 8.316 460 HG21 ILE 58 1HG2 ILE 58 -4.188 -5.589 8.183 461 HG22 ILE 58 2HG2 ILE 58 -3.369 -7.136 8.395 462 HG23 ILE 58 3HG2 ILE 58 -4.110 -6.333 9.779 463 HD11 ILE 58 1HD1 ILE 58 -8.687 -6.620 9.805 464 HD12 ILE 58 2HD1 ILE 58 -7.672 -8.026 10.126 465 HD13 ILE 58 3HD1 ILE 58 -8.305 -7.749 8.504 466 H GLU 59 H GLU 59 -4.947 -9.468 5.739 467 HA GLU 59 HA GLU 59 -7.399 -11.041 5.724 468 HB2 GLU 59 2HB GLU 59 -7.531 -9.451 3.861 469 HB3 GLU 59 1HB GLU 59 -5.912 -9.857 3.374 470 HG2 GLU 59 2HG GLU 59 -6.837 -12.166 2.852 471 HG3 GLU 59 1HG GLU 59 -8.434 -11.413 3.015 Start of MODEL 7 1 H1 SER 1 1H SER 1 -18.379 3.227 -4.731 2 H2 SER 1 2H SER 1 -19.253 4.701 -4.471 3 H3 SER 1 3H SER 1 -18.202 4.493 -5.811 4 HA SER 1 HA SER 1 -20.577 2.882 -5.417 5 HB2 SER 1 2HB SER 1 -20.081 5.211 -7.292 6 HB3 SER 1 1HB SER 1 -21.588 4.309 -7.088 7 HG SER 1 HG SER 1 -21.865 6.070 -5.835 8 H ASN 2 H ASN 2 -20.644 1.248 -6.913 9 HA ASN 2 HA ASN 2 -19.955 -0.269 -8.402 10 HB2 ASN 2 2HB ASN 2 -18.250 1.973 -9.572 11 HB3 ASN 2 1HB ASN 2 -18.370 0.369 -10.279 12 HD21 ASN 2 1HD2 ASN 2 -19.180 1.210 -12.194 13 HD22 ASN 2 2HD2 ASN 2 -20.796 1.821 -12.322 14 H ALA 3 H ALA 3 -18.926 -1.836 -7.518 15 HA ALA 3 HA ALA 3 -17.067 -1.616 -5.536 16 HB1 ALA 3 1HB ALA 3 -17.497 -4.036 -7.273 17 HB2 ALA 3 2HB ALA 3 -18.501 -3.572 -5.901 18 HB3 ALA 3 3HB ALA 3 -16.812 -4.012 -5.648 19 H MET 4 H MET 4 -15.443 -0.446 -5.960 20 HA MET 4 HA MET 4 -13.064 -1.703 -6.992 21 HB2 MET 4 2HB MET 4 -12.460 -0.002 -8.668 22 HB3 MET 4 1HB MET 4 -13.928 -0.850 -9.126 23 HG2 MET 4 2HG MET 4 -15.266 1.032 -8.423 24 HG3 MET 4 1HG MET 4 -13.835 1.873 -7.843 25 HE1 MET 4 1HE MET 4 -14.953 3.953 -10.980 26 HE2 MET 4 2HE MET 4 -14.587 4.002 -9.256 27 HE3 MET 4 3HE MET 4 -15.999 3.118 -9.831 28 H GLU 5 H GLU 5 -14.571 0.205 -4.856 29 HA GLU 5 HA GLU 5 -12.314 1.955 -4.350 30 HB2 GLU 5 2HB GLU 5 -13.818 3.110 -2.764 31 HB3 GLU 5 1HB GLU 5 -14.489 3.065 -4.379 32 HG2 GLU 5 2HG GLU 5 -15.313 1.074 -2.280 33 HG3 GLU 5 1HG GLU 5 -16.056 2.664 -2.384 34 H LEU 6 H LEU 6 -12.607 2.256 -1.599 35 HA LEU 6 HA LEU 6 -12.126 -0.353 -0.499 36 HB2 LEU 6 2HB LEU 6 -10.414 2.116 -0.157 37 HB3 LEU 6 1HB LEU 6 -10.275 0.668 0.811 38 HG LEU 6 HG LEU 6 -9.756 0.818 -2.152 39 HD11 LEU 6 1HD1 LEU 6 -8.106 2.088 -0.872 40 HD12 LEU 6 2HD1 LEU 6 -7.389 0.611 -1.514 41 HD13 LEU 6 3HD1 LEU 6 -7.847 0.703 0.187 42 HD21 LEU 6 1HD2 LEU 6 -10.462 -1.403 -1.433 43 HD22 LEU 6 2HD2 LEU 6 -9.257 -1.382 -0.145 44 HD23 LEU 6 3HD2 LEU 6 -8.744 -1.404 -1.832 45 H ASP 7 H ASP 7 -13.039 -0.464 1.482 46 HA ASP 7 HA ASP 7 -14.618 1.728 2.390 47 HB2 ASP 7 2HB ASP 7 -15.422 0.055 4.067 48 HB3 ASP 7 1HB ASP 7 -15.633 -0.478 2.397 49 H LEU 8 H LEU 8 -11.759 1.037 2.621 50 HA LEU 8 HA LEU 8 -11.195 1.789 5.408 51 HB2 LEU 8 2HB LEU 8 -9.319 0.950 3.188 52 HB3 LEU 8 1HB LEU 8 -8.776 1.496 4.753 53 HG LEU 8 HG LEU 8 -8.581 -0.851 4.738 54 HD11 LEU 8 1HD1 LEU 8 -9.417 0.004 6.816 55 HD12 LEU 8 2HD1 LEU 8 -10.047 -1.611 6.503 56 HD13 LEU 8 3HD1 LEU 8 -11.080 -0.205 6.262 57 HD21 LEU 8 1HD2 LEU 8 -10.432 -2.388 4.240 58 HD22 LEU 8 2HD2 LEU 8 -9.986 -1.397 2.851 59 HD23 LEU 8 3HD2 LEU 8 -11.432 -1.009 3.782 60 H GLN 9 H GLN 9 -9.899 3.655 5.852 61 HA GLN 9 HA GLN 9 -10.175 5.644 3.735 62 HB2 GLN 9 2HB GLN 9 -10.654 5.853 6.694 63 HB3 GLN 9 1HB GLN 9 -10.468 7.269 5.681 64 HG2 GLN 9 2HG GLN 9 -12.571 5.141 5.325 65 HG3 GLN 9 1HG GLN 9 -12.827 6.730 6.051 66 HE21 GLN 9 1HE2 GLN 9 -12.168 5.011 3.072 67 HE22 GLN 9 2HE2 GLN 9 -12.577 6.319 2.022 68 HA PRO 10 HA PRO 10 -5.947 6.831 4.114 69 HB2 PRO 10 2HB PRO 10 -6.726 9.574 4.935 70 HB3 PRO 10 1HB PRO 10 -5.741 9.049 3.570 71 HG2 PRO 10 2HG PRO 10 -8.204 9.911 3.142 72 HG3 PRO 10 1HG PRO 10 -7.528 8.562 2.210 73 HD2 PRO 10 2HD PRO 10 -9.480 8.498 4.431 74 HD3 PRO 10 1HD PRO 10 -9.396 7.490 2.990 75 H GLY 11 H GLY 11 -4.948 6.021 5.702 76 HA2 GLY 11 2HA GLY 11 -3.903 6.646 7.925 77 HA3 GLY 11 1HA GLY 11 -5.570 6.743 8.489 78 H ASP 12 H ASP 12 -6.245 4.427 6.619 79 HA ASP 12 HA ASP 12 -5.984 2.452 8.630 80 HB2 ASP 12 2HB ASP 12 -7.311 2.567 5.979 81 HB3 ASP 12 1HB ASP 12 -7.092 1.010 6.757 82 H VAL 13 H VAL 13 -5.516 0.149 7.931 83 HA VAL 13 HA VAL 13 -2.947 0.174 6.553 84 HB VAL 13 HB VAL 13 -2.695 0.055 8.976 85 HG11 VAL 13 1HG1 VAL 13 -3.341 -1.941 10.256 86 HG12 VAL 13 2HG1 VAL 13 -4.248 -2.511 8.854 87 HG13 VAL 13 3HG1 VAL 13 -4.717 -1.014 9.658 88 HG21 VAL 13 1HG2 VAL 13 -1.907 -2.491 7.569 89 HG22 VAL 13 2HG2 VAL 13 -1.217 -1.922 9.089 90 HG23 VAL 13 3HG2 VAL 13 -0.990 -0.986 7.611 91 H VAL 14 H VAL 14 -2.608 -1.325 5.064 92 HA VAL 14 HA VAL 14 -4.232 -3.755 4.806 93 HB VAL 14 HB VAL 14 -4.583 -3.299 2.372 94 HG11 VAL 14 1HG1 VAL 14 -6.458 -2.924 3.880 95 HG12 VAL 14 2HG1 VAL 14 -6.481 -1.756 2.559 96 HG13 VAL 14 3HG1 VAL 14 -5.918 -1.270 4.158 97 HG21 VAL 14 1HG2 VAL 14 -2.844 -1.623 2.044 98 HG22 VAL 14 2HG2 VAL 14 -3.733 -0.481 3.051 99 HG23 VAL 14 3HG2 VAL 14 -4.406 -1.004 1.506 100 H LYS 15 H LYS 15 -3.336 -4.957 2.837 101 HA LYS 15 HA LYS 15 -0.430 -4.619 2.736 102 HB2 LYS 15 2HB LYS 15 -0.538 -7.022 1.939 103 HB3 LYS 15 1HB LYS 15 -0.800 -6.774 3.647 104 HG2 LYS 15 2HG LYS 15 -3.147 -7.006 3.369 105 HG3 LYS 15 1HG LYS 15 -3.005 -7.079 1.623 106 HD2 LYS 15 2HD LYS 15 -1.573 -9.096 1.954 107 HD3 LYS 15 1HD LYS 15 -2.002 -9.049 3.673 108 HE2 LYS 15 2HE LYS 15 -4.387 -9.163 3.018 109 HE3 LYS 15 1HE LYS 15 -3.883 -9.323 1.340 110 HZ1 LYS 15 1HZ LYS 15 -3.581 -11.263 3.533 111 HZ2 LYS 15 2HZ LYS 15 -2.625 -11.386 2.134 112 HZ3 LYS 15 3HZ LYS 15 -4.318 -11.433 2.022 113 H VAL 16 H VAL 16 0.429 -4.253 0.868 114 HA VAL 16 HA VAL 16 -1.246 -4.484 -1.521 115 HB VAL 16 HB VAL 16 0.580 -2.147 -0.873 116 HG11 VAL 16 1HG1 VAL 16 -0.321 -1.116 -2.910 117 HG12 VAL 16 2HG1 VAL 16 -1.223 -2.596 -3.244 118 HG13 VAL 16 3HG1 VAL 16 0.538 -2.621 -3.249 119 HG21 VAL 16 1HG2 VAL 16 -2.419 -2.337 -0.900 120 HG22 VAL 16 2HG2 VAL 16 -1.554 -0.816 -0.905 121 HG23 VAL 16 3HG2 VAL 16 -1.386 -1.921 0.468 122 H LEU 17 H LEU 17 -0.203 -5.375 -3.162 123 HA LEU 17 HA LEU 17 2.548 -6.120 -2.687 124 HB2 LEU 17 2HB LEU 17 1.040 -7.879 -3.417 125 HB3 LEU 17 1HB LEU 17 0.606 -7.030 -4.858 126 HG LEU 17 HG LEU 17 3.407 -8.090 -4.325 127 HD11 LEU 17 1HD1 LEU 17 1.128 -9.410 -5.801 128 HD12 LEU 17 2HD1 LEU 17 1.810 -9.933 -4.260 129 HD13 LEU 17 3HD1 LEU 17 2.788 -10.001 -5.725 130 HD21 LEU 17 1HD2 LEU 17 2.007 -7.358 -6.906 131 HD22 LEU 17 2HD2 LEU 17 3.649 -7.986 -6.761 132 HD23 LEU 17 3HD2 LEU 17 3.251 -6.398 -6.107 133 H GLU 18 H GLU 18 3.692 -4.508 -2.859 134 HA GLU 18 HA GLU 18 3.520 -2.299 -4.555 135 HB2 GLU 18 2HB GLU 18 4.665 -2.263 -2.439 136 HB3 GLU 18 1HB GLU 18 5.775 -3.507 -2.965 137 HG2 GLU 18 2HG GLU 18 6.812 -1.975 -4.502 138 HG3 GLU 18 1HG GLU 18 5.658 -0.710 -4.087 139 H SER 19 H SER 19 5.875 -4.927 -4.618 140 HA SER 19 HA SER 19 5.918 -4.777 -7.516 141 HB2 SER 19 2HB SER 19 8.299 -4.559 -5.686 142 HB3 SER 19 1HB SER 19 8.447 -4.903 -7.422 143 HG SER 19 HG SER 19 6.884 -2.726 -6.688 144 H ALA 20 H ALA 20 6.560 -6.733 -8.507 145 HA ALA 20 HA ALA 20 5.663 -9.041 -7.172 146 HB1 ALA 20 1HB ALA 20 5.486 -8.720 -9.598 147 HB2 ALA 20 2HB ALA 20 6.271 -10.246 -9.191 148 HB3 ALA 20 3HB ALA 20 7.237 -8.876 -9.740 149 H ALA 21 H ALA 21 8.793 -7.643 -7.337 150 HA ALA 21 HA ALA 21 10.131 -10.117 -6.584 151 HB1 ALA 21 1HB ALA 21 11.249 -7.340 -7.003 152 HB2 ALA 21 2HB ALA 21 11.212 -8.627 -8.207 153 HB3 ALA 21 3HB ALA 21 12.193 -8.809 -6.754 154 H LEU 22 H LEU 22 8.249 -8.194 -4.951 155 HA LEU 22 HA LEU 22 9.839 -8.341 -2.485 156 HB2 LEU 22 2HB LEU 22 8.064 -6.040 -3.324 157 HB3 LEU 22 1HB LEU 22 8.780 -6.211 -1.735 158 HG LEU 22 HG LEU 22 10.335 -5.858 -4.306 159 HD11 LEU 22 1HD1 LEU 22 9.765 -3.903 -2.089 160 HD12 LEU 22 2HD1 LEU 22 9.094 -3.849 -3.717 161 HD13 LEU 22 3HD1 LEU 22 10.826 -3.623 -3.468 162 HD21 LEU 22 1HD2 LEU 22 11.589 -7.113 -2.632 163 HD22 LEU 22 2HD2 LEU 22 11.240 -5.877 -1.425 164 HD23 LEU 22 3HD2 LEU 22 12.252 -5.489 -2.815 165 H GLY 23 H GLY 23 6.599 -7.921 -3.868 166 HA2 GLY 23 2HA GLY 23 4.884 -9.497 -3.458 167 HA3 GLY 23 1HA GLY 23 5.662 -9.893 -1.933 168 H TRP 24 H TRP 24 3.601 -9.650 -1.047 169 HA TRP 24 HA TRP 24 2.224 -7.184 -0.893 170 HB2 TRP 24 2HB TRP 24 2.073 -9.653 0.847 171 HB3 TRP 24 1HB TRP 24 0.934 -8.311 0.890 172 HD1 TRP 24 HD1 TRP 24 1.871 -11.376 -1.169 173 HE1 TRP 24 HE1 TRP 24 0.068 -11.738 -2.976 174 HE3 TRP 24 HE3 TRP 24 -0.777 -7.088 -0.508 175 HZ2 TRP 24 HZ2 TRP 24 -2.171 -10.371 -3.994 176 HZ3 TRP 24 HZ3 TRP 24 -2.735 -6.676 -1.945 177 HH2 TRP 24 HH2 TRP 24 -3.415 -8.288 -3.645 178 H VAL 25 H VAL 25 3.021 -5.476 0.096 179 HA VAL 25 HA VAL 25 4.584 -5.867 2.531 180 HB VAL 25 HB VAL 25 5.445 -3.554 2.203 181 HG11 VAL 25 1HG1 VAL 25 6.751 -5.375 1.293 182 HG12 VAL 25 2HG1 VAL 25 6.871 -3.956 0.250 183 HG13 VAL 25 3HG1 VAL 25 5.836 -5.307 -0.212 184 HG21 VAL 25 1HG2 VAL 25 3.914 -3.602 -0.404 185 HG22 VAL 25 2HG2 VAL 25 5.047 -2.347 0.097 186 HG23 VAL 25 3HG2 VAL 25 3.548 -2.591 0.993 187 H ARG 26 H ARG 26 4.066 -4.503 4.312 188 HA ARG 26 HA ARG 26 1.239 -4.043 4.475 189 HB2 ARG 26 2HB ARG 26 2.565 -4.943 6.396 190 HB3 ARG 26 1HB ARG 26 3.381 -3.387 6.520 191 HG2 ARG 26 2HG ARG 26 1.270 -2.300 7.023 192 HG3 ARG 26 1HG ARG 26 0.417 -3.829 6.829 193 HD2 ARG 26 2HD ARG 26 0.703 -3.454 9.163 194 HD3 ARG 26 1HD ARG 26 1.801 -4.745 8.694 195 HE ARG 26 HE ARG 26 3.106 -2.231 8.584 196 HH11 ARG 26 1HH1 ARG 26 2.101 -4.766 10.833 197 HH12 ARG 26 2HH1 ARG 26 3.109 -4.257 12.117 198 HH21 ARG 26 1HH2 ARG 26 4.383 -1.471 10.292 199 HH22 ARG 26 2HH2 ARG 26 4.517 -2.269 11.793 200 H ALA 27 H ALA 27 0.233 -2.103 4.392 201 HA ALA 27 HA ALA 27 1.888 0.258 4.190 202 HB1 ALA 27 1HB ALA 27 -0.035 -0.504 2.006 203 HB2 ALA 27 2HB ALA 27 1.716 -0.676 1.916 204 HB3 ALA 27 3HB ALA 27 1.002 0.927 2.075 205 H ARG 28 H ARG 28 0.736 2.180 4.177 206 HA ARG 28 HA ARG 28 -1.781 2.059 5.661 207 HB2 ARG 28 2HB ARG 28 0.409 4.131 5.484 208 HB3 ARG 28 1HB ARG 28 -1.159 4.450 6.206 209 HG2 ARG 28 2HG ARG 28 0.753 2.325 7.145 210 HG3 ARG 28 1HG ARG 28 0.608 3.939 7.851 211 HD2 ARG 28 2HD ARG 28 -1.750 3.497 8.347 212 HD3 ARG 28 1HD ARG 28 -1.594 1.883 7.665 213 HE ARG 28 HE ARG 28 0.312 1.904 9.500 214 HH11 ARG 28 1HH1 ARG 28 -3.094 2.943 9.702 215 HH12 ARG 28 2HH1 ARG 28 -3.363 2.392 11.264 216 HH21 ARG 28 1HH2 ARG 28 -0.018 1.149 11.738 217 HH22 ARG 28 2HH2 ARG 28 -1.536 1.342 12.488 218 H VAL 29 H VAL 29 -3.474 2.879 4.775 219 HA VAL 29 HA VAL 29 -3.419 3.708 2.038 220 HB VAL 29 HB VAL 29 -5.680 3.932 4.048 221 HG11 VAL 29 1HG1 VAL 29 -5.718 3.891 1.032 222 HG12 VAL 29 2HG1 VAL 29 -6.013 5.293 2.059 223 HG13 VAL 29 3HG1 VAL 29 -7.138 3.935 2.077 224 HG21 VAL 29 1HG2 VAL 29 -4.944 1.616 3.901 225 HG22 VAL 29 2HG2 VAL 29 -5.067 1.670 2.144 226 HG23 VAL 29 3HG2 VAL 29 -6.520 1.810 3.134 227 H ILE 30 H ILE 30 -2.612 5.618 1.531 228 HA ILE 30 HA ILE 30 -2.882 7.838 3.451 229 HB ILE 30 HB ILE 30 -1.351 7.738 0.835 230 HG12 ILE 30 2HG1 ILE 30 -0.351 6.194 2.434 231 HG13 ILE 30 1HG1 ILE 30 0.679 7.602 2.214 232 HG21 ILE 30 1HG2 ILE 30 -2.007 10.007 1.474 233 HG22 ILE 30 2HG2 ILE 30 -0.263 9.795 1.630 234 HG23 ILE 30 3HG2 ILE 30 -1.285 9.778 3.068 235 HD11 ILE 30 1HD1 ILE 30 -1.148 7.079 4.558 236 HD12 ILE 30 2HD1 ILE 30 -0.158 8.520 4.338 237 HD13 ILE 30 3HD1 ILE 30 0.611 6.948 4.549 238 H ARG 31 H ARG 31 -4.006 6.874 0.225 239 HA ARG 31 HA ARG 31 -5.982 8.780 0.667 240 HB2 ARG 31 2HB ARG 31 -4.733 10.199 -0.413 241 HB3 ARG 31 1HB ARG 31 -3.670 8.911 -0.639 242 HG2 ARG 31 2HG ARG 31 -4.469 8.106 -2.610 243 HG3 ARG 31 1HG ARG 31 -5.891 9.124 -2.525 244 HD2 ARG 31 2HD ARG 31 -4.144 9.808 -4.121 245 HD3 ARG 31 1HD ARG 31 -4.536 11.107 -2.965 246 HE ARG 31 HE ARG 31 -2.326 9.414 -2.110 247 HH11 ARG 31 1HH1 ARG 31 -2.990 12.389 -3.942 248 HH12 ARG 31 2HH1 ARG 31 -1.395 12.976 -3.733 249 HH21 ARG 31 1HH2 ARG 31 -0.191 10.272 -1.804 250 HH22 ARG 31 2HH2 ARG 31 0.256 11.696 -2.493 251 H VAL 32 H VAL 32 -7.490 8.396 -0.747 252 HA VAL 32 HA VAL 32 -7.577 5.658 -1.894 253 HB VAL 32 HB VAL 32 -9.979 7.129 -0.758 254 HG11 VAL 32 1HG1 VAL 32 -11.141 4.975 -0.953 255 HG12 VAL 32 2HG1 VAL 32 -9.709 4.279 -1.707 256 HG13 VAL 32 3HG1 VAL 32 -10.590 5.572 -2.519 257 HG21 VAL 32 1HG2 VAL 32 -8.465 6.505 1.045 258 HG22 VAL 32 2HG2 VAL 32 -8.420 4.846 0.448 259 HG23 VAL 32 3HG2 VAL 32 -9.923 5.510 1.089 260 H LYS 33 H LYS 33 -7.354 5.734 -3.881 261 HA LYS 33 HA LYS 33 -9.167 7.318 -5.478 262 HB2 LYS 33 2HB LYS 33 -6.473 6.211 -5.625 263 HB3 LYS 33 1HB LYS 33 -7.345 6.142 -7.161 264 HG2 LYS 33 2HG LYS 33 -7.364 8.476 -7.268 265 HG3 LYS 33 1HG LYS 33 -7.116 8.648 -5.525 266 HD2 LYS 33 2HD LYS 33 -4.982 8.051 -5.616 267 HD3 LYS 33 1HD LYS 33 -5.033 7.290 -7.186 268 HE2 LYS 33 2HE LYS 33 -5.170 10.265 -6.479 269 HE3 LYS 33 1HE LYS 33 -3.857 9.465 -7.334 270 HZ1 LYS 33 1HZ LYS 33 -6.618 9.876 -8.383 271 HZ2 LYS 33 2HZ LYS 33 -5.365 9.107 -9.219 272 HZ3 LYS 33 3HZ LYS 33 -5.246 10.742 -8.841 273 H SER 34 H SER 34 -9.600 5.512 -7.555 274 HA SER 34 HA SER 34 -10.058 3.081 -6.119 275 HB2 SER 34 2HB SER 34 -12.250 4.502 -7.649 276 HB3 SER 34 1HB SER 34 -12.389 2.918 -6.879 277 HG SER 34 HG SER 34 -11.457 4.395 -5.026 278 H GLY 35 H GLY 35 -10.673 1.246 -7.438 279 HA2 GLY 35 2HA GLY 35 -10.509 -0.193 -9.177 280 HA3 GLY 35 1HA GLY 35 -10.630 1.193 -10.245 281 H GLY 36 H GLY 36 -8.767 2.230 -10.827 282 HA2 GLY 36 2HA GLY 36 -6.624 0.311 -11.230 283 HA3 GLY 36 1HA GLY 36 -6.826 1.835 -12.086 284 H ARG 37 H ARG 37 -7.258 3.216 -9.308 285 HA ARG 37 HA ARG 37 -4.489 3.417 -8.668 286 HB2 ARG 37 2HB ARG 37 -6.750 5.135 -9.005 287 HB3 ARG 37 1HB ARG 37 -5.467 5.551 -7.919 288 HG2 ARG 37 2HG ARG 37 -5.280 4.993 -10.868 289 HG3 ARG 37 1HG ARG 37 -5.079 6.566 -10.091 290 HD2 ARG 37 2HD ARG 37 -3.003 5.915 -10.470 291 HD3 ARG 37 1HD ARG 37 -3.175 5.470 -8.792 292 HE ARG 37 HE ARG 37 -3.809 3.194 -10.229 293 HH11 ARG 37 1HH1 ARG 37 -0.903 5.153 -9.946 294 HH12 ARG 37 2HH1 ARG 37 0.164 3.850 -10.193 295 HH21 ARG 37 1HH2 ARG 37 -2.426 1.475 -10.591 296 HH22 ARG 37 2HH2 ARG 37 -0.718 1.679 -10.604 297 H VAL 38 H VAL 38 -4.062 3.503 -6.687 298 HA VAL 38 HA VAL 38 -5.738 4.156 -4.398 299 HB VAL 38 HB VAL 38 -4.104 1.571 -4.360 300 HG11 VAL 38 1HG1 VAL 38 -5.143 1.169 -2.181 301 HG12 VAL 38 2HG1 VAL 38 -6.026 2.686 -2.339 302 HG13 VAL 38 3HG1 VAL 38 -4.266 2.702 -2.241 303 HG21 VAL 38 1HG2 VAL 38 -6.084 1.079 -5.722 304 HG22 VAL 38 2HG2 VAL 38 -7.127 1.715 -4.451 305 HG23 VAL 38 3HG2 VAL 38 -6.191 0.250 -4.169 306 H VAL 39 H VAL 39 -4.223 5.013 -2.791 307 HA VAL 39 HA VAL 39 -1.416 4.800 -3.599 308 HB VAL 39 HB VAL 39 -2.589 7.370 -2.505 309 HG11 VAL 39 1HG1 VAL 39 -0.234 7.060 -2.148 310 HG12 VAL 39 2HG1 VAL 39 -0.512 8.337 -3.332 311 HG13 VAL 39 3HG1 VAL 39 0.009 6.737 -3.861 312 HG21 VAL 39 1HG2 VAL 39 -2.466 8.303 -4.767 313 HG22 VAL 39 2HG2 VAL 39 -3.607 6.955 -4.670 314 HG23 VAL 39 3HG2 VAL 39 -2.025 6.711 -5.397 315 H VAL 40 H VAL 40 -0.090 4.217 -1.978 316 HA VAL 40 HA VAL 40 -1.065 4.296 0.783 317 HB VAL 40 HB VAL 40 -0.436 1.916 1.057 318 HG11 VAL 40 1HG1 VAL 40 -2.799 2.436 0.748 319 HG12 VAL 40 2HG1 VAL 40 -2.400 0.892 0.007 320 HG13 VAL 40 3HG1 VAL 40 -2.597 2.329 -0.999 321 HG21 VAL 40 1HG2 VAL 40 -0.328 1.829 -1.955 322 HG22 VAL 40 2HG2 VAL 40 -0.084 0.463 -0.853 323 HG23 VAL 40 3HG2 VAL 40 1.067 1.788 -0.887 324 H GLN 41 H GLN 41 0.549 3.998 2.230 325 HA GLN 41 HA GLN 41 3.285 4.281 1.172 326 HB2 GLN 41 2HB GLN 41 2.486 6.382 2.123 327 HB3 GLN 41 1HB GLN 41 2.034 5.556 3.600 328 HG2 GLN 41 2HG GLN 41 4.410 5.055 4.001 329 HG3 GLN 41 1HG GLN 41 4.823 5.957 2.545 330 HE21 GLN 41 1HE2 GLN 41 4.566 8.197 2.539 331 HE22 GLN 41 2HE2 GLN 41 4.402 9.082 4.017 332 H SER 42 H SER 42 4.548 2.717 1.753 333 HA SER 42 HA SER 42 3.634 0.681 3.591 334 HB2 SER 42 2HB SER 42 5.043 0.194 1.505 335 HB3 SER 42 1HB SER 42 6.385 0.951 2.344 336 HG SER 42 HG SER 42 4.926 -1.243 3.353 337 H ASP 43 H ASP 43 5.204 -0.107 5.259 338 HA ASP 43 HA ASP 43 5.573 1.879 7.216 339 HB2 ASP 43 2HB ASP 43 6.577 -0.975 7.069 340 HB3 ASP 43 1HB ASP 43 6.865 0.052 8.464 341 H GLN 44 H GLN 44 7.326 0.978 4.631 342 HA GLN 44 HA GLN 44 9.988 1.683 5.365 343 HB2 GLN 44 2HB GLN 44 8.548 1.160 2.813 344 HB3 GLN 44 1HB GLN 44 10.123 1.928 2.763 345 HG2 GLN 44 2HG GLN 44 9.722 -0.609 4.280 346 HG3 GLN 44 1HG GLN 44 9.939 -0.630 2.531 347 HE21 GLN 44 1HE2 GLN 44 11.546 1.822 4.471 348 HE22 GLN 44 2HE2 GLN 44 13.116 1.126 4.329 349 H GLY 45 H GLY 45 7.193 3.527 4.852 350 HA2 GLY 45 2HA GLY 45 7.011 5.814 5.076 351 HA3 GLY 45 1HA GLY 45 8.750 5.953 4.857 352 H ARG 46 H ARG 46 7.900 4.035 2.363 353 HA ARG 46 HA ARG 46 7.848 6.286 0.624 354 HB2 ARG 46 2HB ARG 46 8.340 4.676 -1.075 355 HB3 ARG 46 1HB ARG 46 9.508 4.580 0.229 356 HG2 ARG 46 2HG ARG 46 8.150 2.561 1.033 357 HG3 ARG 46 1HG ARG 46 7.339 2.629 -0.538 358 HD2 ARG 46 2HD ARG 46 9.606 2.535 -1.622 359 HD3 ARG 46 1HD ARG 46 10.259 2.317 0.006 360 HE ARG 46 HE ARG 46 8.374 0.413 -1.201 361 HH11 ARG 46 1HH1 ARG 46 11.464 1.053 0.457 362 HH12 ARG 46 2HH1 ARG 46 11.876 -0.593 0.633 363 HH21 ARG 46 1HH2 ARG 46 8.969 -1.765 -1.045 364 HH22 ARG 46 2HH2 ARG 46 10.399 -2.300 -0.286 365 H GLU 47 H GLU 47 6.112 6.985 -0.362 366 HA GLU 47 HA GLU 47 3.596 5.482 -0.276 367 HB2 GLU 47 2HB GLU 47 3.594 7.893 0.386 368 HB3 GLU 47 1HB GLU 47 4.215 8.310 -1.207 369 HG2 GLU 47 2HG GLU 47 2.183 7.319 -2.216 370 HG3 GLU 47 1HG GLU 47 1.576 7.013 -0.601 371 H PHE 48 H PHE 48 2.760 4.601 -1.983 372 HA PHE 48 HA PHE 48 3.782 5.233 -4.602 373 HB2 PHE 48 2HB PHE 48 4.107 2.836 -5.181 374 HB3 PHE 48 1HB PHE 48 5.230 3.387 -3.951 375 HD1 PHE 48 HD1 PHE 48 4.841 2.713 -1.563 376 HD2 PHE 48 HD2 PHE 48 2.636 1.036 -4.794 377 HE1 PHE 48 HE1 PHE 48 4.197 0.828 -0.138 378 HE2 PHE 48 HE2 PHE 48 1.986 -0.856 -3.367 379 HZ PHE 48 HZ PHE 48 2.768 -0.961 -1.032 380 H THR 49 H THR 49 2.376 4.508 -6.262 381 HA THR 49 HA THR 49 -0.281 4.073 -5.213 382 HB THR 49 HB THR 49 -0.157 6.287 -6.061 383 HG1 THR 49 HG1 THR 49 -1.932 4.774 -6.671 384 HG21 THR 49 1HG2 THR 49 0.840 5.149 -8.680 385 HG22 THR 49 2HG2 THR 49 1.766 6.130 -7.545 386 HG23 THR 49 3HG2 THR 49 0.402 6.837 -8.412 387 H ALA 50 H ALA 50 -1.165 2.278 -5.643 388 HA ALA 50 HA ALA 50 -0.226 0.633 -7.905 389 HB1 ALA 50 1HB ALA 50 -0.712 -1.304 -6.505 390 HB2 ALA 50 2HB ALA 50 -1.237 -0.245 -5.196 391 HB3 ALA 50 3HB ALA 50 0.451 -0.244 -5.709 392 H ARG 51 H ARG 51 -2.070 -1.259 -7.899 393 HA ARG 51 HA ARG 51 -4.538 0.159 -8.694 394 HB2 ARG 51 2HB ARG 51 -3.594 -2.650 -9.294 395 HB3 ARG 51 1HB ARG 51 -5.076 -1.928 -9.887 396 HG2 ARG 51 2HG ARG 51 -3.824 -0.375 -11.237 397 HG3 ARG 51 1HG ARG 51 -2.305 -0.952 -10.541 398 HD2 ARG 51 2HD ARG 51 -4.245 -2.634 -12.130 399 HD3 ARG 51 1HD ARG 51 -2.745 -1.944 -12.757 400 HE ARG 51 HE ARG 51 -1.734 -3.261 -10.790 401 HH11 ARG 51 1HH1 ARG 51 -4.500 -4.418 -12.702 402 HH12 ARG 51 2HH1 ARG 51 -4.060 -6.045 -12.673 403 HH21 ARG 51 1HH2 ARG 51 -1.103 -5.552 -10.729 404 HH22 ARG 51 2HH2 ARG 51 -2.055 -6.719 -11.508 405 H GLY 52 H GLY 52 -6.621 -0.989 -8.144 406 HA2 GLY 52 2HA GLY 52 -6.663 -1.931 -5.438 407 HA3 GLY 52 1HA GLY 52 -8.032 -1.899 -6.559 408 H ASN 53 H ASN 53 -5.888 -3.378 -8.251 409 HA ASN 53 HA ASN 53 -6.802 -6.019 -7.574 410 HB2 ASN 53 2HB ASN 53 -4.857 -5.154 -9.733 411 HB3 ASN 53 1HB ASN 53 -5.524 -6.767 -9.565 412 HD21 ASN 53 1HD2 ASN 53 -8.211 -5.810 -8.902 413 HD22 ASN 53 2HD2 ASN 53 -8.851 -5.198 -10.375 414 H GLN 54 H GLN 54 -4.462 -4.054 -6.463 415 HA GLN 54 HA GLN 54 -2.491 -6.159 -5.933 416 HB2 GLN 54 2HB GLN 54 -2.256 -3.242 -6.525 417 HB3 GLN 54 1HB GLN 54 -0.995 -4.041 -5.619 418 HG2 GLN 54 2HG GLN 54 -0.506 -5.484 -7.454 419 HG3 GLN 54 1HG GLN 54 -1.938 -4.939 -8.326 420 HE21 GLN 54 1HE2 GLN 54 1.223 -3.967 -7.160 421 HE22 GLN 54 2HE2 GLN 54 1.449 -2.691 -8.278 422 H VAL 55 H VAL 55 -5.028 -4.953 -4.497 423 HA VAL 55 HA VAL 55 -3.701 -4.475 -1.926 424 HB VAL 55 HB VAL 55 -6.139 -2.939 -2.856 425 HG11 VAL 55 1HG1 VAL 55 -5.750 -1.510 -0.898 426 HG12 VAL 55 2HG1 VAL 55 -4.426 -2.571 -0.414 427 HG13 VAL 55 3HG1 VAL 55 -6.071 -3.192 -0.482 428 HG21 VAL 55 1HG2 VAL 55 -4.277 -2.139 -4.185 429 HG22 VAL 55 2HG2 VAL 55 -3.298 -1.921 -2.739 430 HG23 VAL 55 3HG2 VAL 55 -4.722 -0.915 -2.997 431 H ARG 56 H ARG 56 -4.519 -5.439 -0.307 432 HA ARG 56 HA ARG 56 -7.106 -6.688 -0.630 433 HB2 ARG 56 2HB ARG 56 -4.564 -7.793 0.364 434 HB3 ARG 56 1HB ARG 56 -6.116 -8.573 0.635 435 HG2 ARG 56 2HG ARG 56 -5.156 -7.821 -2.055 436 HG3 ARG 56 1HG ARG 56 -4.667 -9.357 -1.432 437 HD2 ARG 56 2HD ARG 56 -7.440 -8.295 -2.059 438 HD3 ARG 56 1HD ARG 56 -6.633 -9.663 -2.811 439 HE ARG 56 HE ARG 56 -6.854 -10.755 -0.523 440 HH11 ARG 56 1HH1 ARG 56 -9.192 -8.355 -1.674 441 HH12 ARG 56 2HH1 ARG 56 -10.515 -9.024 -0.823 442 HH21 ARG 56 1HH2 ARG 56 -8.606 -11.678 0.556 443 HH22 ARG 56 2HH2 ARG 56 -10.175 -11.015 0.550 444 H LEU 57 H LEU 57 -8.287 -6.350 0.947 445 HA LEU 57 HA LEU 57 -7.254 -5.053 3.315 446 HB2 LEU 57 2HB LEU 57 -9.672 -4.401 3.679 447 HB3 LEU 57 1HB LEU 57 -8.863 -3.674 2.310 448 HG LEU 57 HG LEU 57 -9.957 -5.624 1.000 449 HD11 LEU 57 1HD1 LEU 57 -12.199 -6.242 1.805 450 HD12 LEU 57 2HD1 LEU 57 -11.847 -5.440 3.335 451 HD13 LEU 57 3HD1 LEU 57 -10.905 -6.847 2.840 452 HD21 LEU 57 1HD2 LEU 57 -11.514 -3.218 1.917 453 HD22 LEU 57 2HD2 LEU 57 -11.916 -4.212 0.516 454 HD23 LEU 57 3HD2 LEU 57 -10.404 -3.307 0.549 455 H ILE 58 H ILE 58 -7.551 -5.873 5.334 456 HA ILE 58 HA ILE 58 -7.370 -7.500 6.719 457 HB ILE 58 HB ILE 58 -9.522 -8.245 7.590 458 HG12 ILE 58 2HG1 ILE 58 -10.692 -6.422 5.474 459 HG13 ILE 58 1HG1 ILE 58 -10.828 -8.172 5.473 460 HG21 ILE 58 1HG2 ILE 58 -8.424 -6.263 8.444 461 HG22 ILE 58 2HG2 ILE 58 -10.160 -5.953 8.384 462 HG23 ILE 58 3HG2 ILE 58 -9.104 -5.286 7.141 463 HD11 ILE 58 1HD1 ILE 58 -12.887 -7.115 6.242 464 HD12 ILE 58 2HD1 ILE 58 -11.998 -6.275 7.511 465 HD13 ILE 58 3HD1 ILE 58 -12.147 -8.032 7.556 466 H GLU 59 H GLU 59 -6.088 -8.962 5.772 467 HA GLU 59 HA GLU 59 -6.880 -11.590 5.677 468 HB2 GLU 59 2HB GLU 59 -7.864 -10.810 3.466 469 HB3 GLU 59 1HB GLU 59 -6.292 -10.180 3.028 470 HG2 GLU 59 2HG GLU 59 -5.459 -12.588 3.267 471 HG3 GLU 59 1HG GLU 59 -7.167 -13.039 3.270 Start of MODEL 8 1 H1 SER 1 1H SER 1 -22.885 -5.970 -16.356 2 H2 SER 1 2H SER 1 -22.565 -6.439 -14.732 3 H3 SER 1 3H SER 1 -21.305 -6.434 -15.862 4 HA SER 1 HA SER 1 -21.449 -4.085 -16.026 5 HB2 SER 1 2HB SER 1 -23.623 -4.358 -13.936 6 HB3 SER 1 1HB SER 1 -23.106 -2.878 -14.757 7 HG SER 1 HG SER 1 -24.873 -3.533 -15.873 8 H ASN 2 H ASN 2 -19.864 -3.135 -14.711 9 HA ASN 2 HA ASN 2 -19.295 -4.572 -12.224 10 HB2 ASN 2 2HB ASN 2 -17.302 -3.494 -14.252 11 HB3 ASN 2 1HB ASN 2 -16.883 -4.167 -12.688 12 HD21 ASN 2 1HD2 ASN 2 -15.600 -5.765 -13.563 13 HD22 ASN 2 2HD2 ASN 2 -16.237 -7.111 -14.435 14 H ALA 3 H ALA 3 -18.329 -3.277 -10.601 15 HA ALA 3 HA ALA 3 -18.835 -0.455 -11.027 16 HB1 ALA 3 1HB ALA 3 -19.452 -0.324 -8.647 17 HB2 ALA 3 2HB ALA 3 -19.227 -2.067 -8.501 18 HB3 ALA 3 3HB ALA 3 -20.508 -1.427 -9.530 19 H MET 4 H MET 4 -16.978 0.522 -11.082 20 HA MET 4 HA MET 4 -14.653 -0.619 -9.774 21 HB2 MET 4 2HB MET 4 -14.876 1.857 -11.504 22 HB3 MET 4 1HB MET 4 -13.375 1.174 -10.906 23 HG2 MET 4 2HG MET 4 -15.283 -0.119 -12.848 24 HG3 MET 4 1HG MET 4 -13.723 0.596 -13.234 25 HE1 MET 4 1HE MET 4 -11.248 -1.899 -11.456 26 HE2 MET 4 2HE MET 4 -11.926 -0.431 -10.759 27 HE3 MET 4 3HE MET 4 -11.383 -0.440 -12.437 28 H GLU 5 H GLU 5 -14.925 -0.318 -7.651 29 HA GLU 5 HA GLU 5 -15.367 2.393 -6.673 30 HB2 GLU 5 2HB GLU 5 -17.132 0.768 -6.066 31 HB3 GLU 5 1HB GLU 5 -15.923 -0.312 -5.403 32 HG2 GLU 5 2HG GLU 5 -17.194 0.910 -3.680 33 HG3 GLU 5 1HG GLU 5 -15.462 1.229 -3.610 34 H LEU 6 H LEU 6 -14.185 2.825 -4.681 35 HA LEU 6 HA LEU 6 -11.479 1.797 -4.896 36 HB2 LEU 6 2HB LEU 6 -12.505 4.171 -3.345 37 HB3 LEU 6 1HB LEU 6 -10.824 3.704 -3.530 38 HG LEU 6 HG LEU 6 -12.651 4.589 -5.738 39 HD11 LEU 6 1HD1 LEU 6 -11.233 6.609 -5.803 40 HD12 LEU 6 2HD1 LEU 6 -10.350 6.018 -4.396 41 HD13 LEU 6 3HD1 LEU 6 -12.059 6.433 -4.255 42 HD21 LEU 6 1HD2 LEU 6 -10.597 4.660 -7.113 43 HD22 LEU 6 2HD2 LEU 6 -11.016 3.035 -6.581 44 HD23 LEU 6 3HD2 LEU 6 -9.711 3.915 -5.780 45 H ASP 7 H ASP 7 -11.466 -0.064 -3.788 46 HA ASP 7 HA ASP 7 -12.929 -0.454 -1.371 47 HB2 ASP 7 2HB ASP 7 -12.051 -2.707 -1.488 48 HB3 ASP 7 1HB ASP 7 -12.772 -2.241 -3.027 49 H LEU 8 H LEU 8 -10.812 1.419 -1.420 50 HA LEU 8 HA LEU 8 -9.217 0.532 0.875 51 HB2 LEU 8 2HB LEU 8 -8.246 2.100 -1.503 52 HB3 LEU 8 1HB LEU 8 -7.326 1.751 -0.063 53 HG LEU 8 HG LEU 8 -8.293 -0.305 -2.061 54 HD11 LEU 8 1HD1 LEU 8 -5.542 0.829 -1.599 55 HD12 LEU 8 2HD1 LEU 8 -6.567 1.106 -3.009 56 HD13 LEU 8 3HD1 LEU 8 -5.936 -0.504 -2.684 57 HD21 LEU 8 1HD2 LEU 8 -6.465 -0.583 0.323 58 HD22 LEU 8 2HD2 LEU 8 -6.826 -1.850 -0.847 59 HD23 LEU 8 3HD2 LEU 8 -8.103 -1.226 0.194 60 H GLN 9 H GLN 9 -9.189 2.143 2.480 61 HA GLN 9 HA GLN 9 -10.147 4.783 1.708 62 HB2 GLN 9 2HB GLN 9 -10.917 3.162 4.128 63 HB3 GLN 9 1HB GLN 9 -11.225 4.877 3.998 64 HG2 GLN 9 2HG GLN 9 -12.311 2.820 2.082 65 HG3 GLN 9 1HG GLN 9 -13.201 3.480 3.454 66 HE21 GLN 9 1HE2 GLN 9 -11.913 4.161 0.273 67 HE22 GLN 9 2HE2 GLN 9 -12.801 5.624 0.056 68 HA PRO 10 HA PRO 10 -6.512 6.123 3.698 69 HB2 PRO 10 2HB PRO 10 -7.366 8.592 4.684 70 HB3 PRO 10 1HB PRO 10 -6.722 8.261 3.081 71 HG2 PRO 10 2HG PRO 10 -9.410 8.950 3.736 72 HG3 PRO 10 1HG PRO 10 -8.701 8.676 2.141 73 HD2 PRO 10 2HD PRO 10 -10.394 6.933 3.696 74 HD3 PRO 10 1HD PRO 10 -9.905 6.744 2.023 75 H GLY 11 H GLY 11 -5.508 5.820 5.521 76 HA2 GLY 11 2HA GLY 11 -5.209 6.042 7.875 77 HA3 GLY 11 1HA GLY 11 -6.959 6.037 8.065 78 H ASP 12 H ASP 12 -6.300 3.798 5.805 79 HA ASP 12 HA ASP 12 -6.810 1.630 7.656 80 HB2 ASP 12 2HB ASP 12 -7.962 2.072 5.376 81 HB3 ASP 12 1HB ASP 12 -6.489 1.465 4.694 82 H VAL 13 H VAL 13 -5.661 -0.342 7.486 83 HA VAL 13 HA VAL 13 -2.801 -0.056 6.830 84 HB VAL 13 HB VAL 13 -3.974 -1.774 9.056 85 HG11 VAL 13 1HG1 VAL 13 -1.098 -1.214 8.326 86 HG12 VAL 13 2HG1 VAL 13 -1.953 -2.737 8.088 87 HG13 VAL 13 3HG1 VAL 13 -1.637 -2.149 9.721 88 HG21 VAL 13 1HG2 VAL 13 -2.395 0.794 9.262 89 HG22 VAL 13 2HG2 VAL 13 -2.879 -0.220 10.621 90 HG23 VAL 13 3HG2 VAL 13 -4.104 0.592 9.646 91 H VAL 14 H VAL 14 -2.458 -1.189 5.100 92 HA VAL 14 HA VAL 14 -4.103 -3.588 4.544 93 HB VAL 14 HB VAL 14 -4.033 -2.889 2.160 94 HG11 VAL 14 1HG1 VAL 14 -6.000 -2.396 3.571 95 HG12 VAL 14 2HG1 VAL 14 -5.749 -1.169 2.333 96 HG13 VAL 14 3HG1 VAL 14 -5.280 -0.849 4.002 97 HG21 VAL 14 1HG2 VAL 14 -2.071 -1.444 2.252 98 HG22 VAL 14 2HG2 VAL 14 -2.935 -0.309 3.288 99 HG23 VAL 14 3HG2 VAL 14 -3.459 -0.553 1.622 100 H LYS 15 H LYS 15 -3.190 -4.853 2.752 101 HA LYS 15 HA LYS 15 -0.271 -4.906 2.872 102 HB2 LYS 15 2HB LYS 15 -0.650 -7.260 1.913 103 HB3 LYS 15 1HB LYS 15 -0.931 -7.034 3.620 104 HG2 LYS 15 2HG LYS 15 -3.317 -6.884 3.210 105 HG3 LYS 15 1HG LYS 15 -3.058 -7.052 1.482 106 HD2 LYS 15 2HD LYS 15 -2.040 -9.227 1.892 107 HD3 LYS 15 1HD LYS 15 -2.375 -9.082 3.621 108 HE2 LYS 15 2HE LYS 15 -4.803 -8.864 3.042 109 HE3 LYS 15 1HE LYS 15 -4.380 -9.211 1.367 110 HZ1 LYS 15 1HZ LYS 15 -3.501 -11.444 2.169 111 HZ2 LYS 15 2HZ LYS 15 -5.151 -11.182 2.495 112 HZ3 LYS 15 3HZ LYS 15 -4.129 -11.032 3.698 113 H VAL 16 H VAL 16 0.788 -4.456 1.109 114 HA VAL 16 HA VAL 16 -0.696 -4.342 -1.419 115 HB VAL 16 HB VAL 16 0.642 -2.455 -2.106 116 HG11 VAL 16 1HG1 VAL 16 -0.102 -0.728 -0.491 117 HG12 VAL 16 2HG1 VAL 16 -0.655 -2.044 0.555 118 HG13 VAL 16 3HG1 VAL 16 -1.363 -1.824 -1.041 119 HG21 VAL 16 1HG2 VAL 16 2.722 -2.887 -0.954 120 HG22 VAL 16 2HG2 VAL 16 1.957 -2.582 0.601 121 HG23 VAL 16 3HG2 VAL 16 2.159 -1.261 -0.552 122 H LEU 17 H LEU 17 0.372 -5.146 -3.152 123 HA LEU 17 HA LEU 17 2.960 -6.226 -2.516 124 HB2 LEU 17 2HB LEU 17 1.435 -7.872 -3.362 125 HB3 LEU 17 1HB LEU 17 1.055 -6.985 -4.787 126 HG LEU 17 HG LEU 17 3.773 -8.232 -4.184 127 HD11 LEU 17 1HD1 LEU 17 2.044 -9.940 -4.316 128 HD12 LEU 17 2HD1 LEU 17 3.105 -10.016 -5.722 129 HD13 LEU 17 3HD1 LEU 17 1.504 -9.290 -5.864 130 HD21 LEU 17 1HD2 LEU 17 2.615 -7.256 -6.805 131 HD22 LEU 17 2HD2 LEU 17 4.185 -8.027 -6.593 132 HD23 LEU 17 3HD2 LEU 17 3.877 -6.446 -5.879 133 H GLU 18 H GLU 18 4.047 -4.516 -2.495 134 HA GLU 18 HA GLU 18 4.015 -2.369 -4.376 135 HB2 GLU 18 2HB GLU 18 4.641 -1.888 -2.119 136 HB3 GLU 18 1HB GLU 18 5.846 -3.157 -2.102 137 HG2 GLU 18 2HG GLU 18 7.301 -1.891 -3.486 138 HG3 GLU 18 1HG GLU 18 6.092 -0.662 -3.791 139 H SER 19 H SER 19 6.122 -5.116 -3.888 140 HA SER 19 HA SER 19 7.090 -4.765 -6.586 141 HB2 SER 19 2HB SER 19 8.815 -4.793 -4.124 142 HB3 SER 19 1HB SER 19 9.478 -5.083 -5.752 143 HG SER 19 HG SER 19 7.892 -2.858 -5.535 144 H ALA 20 H ALA 20 7.649 -6.675 -7.556 145 HA ALA 20 HA ALA 20 6.426 -9.008 -6.582 146 HB1 ALA 20 1HB ALA 20 8.439 -8.753 -8.810 147 HB2 ALA 20 2HB ALA 20 6.701 -8.506 -8.967 148 HB3 ALA 20 3HB ALA 20 7.331 -10.102 -8.553 149 H ALA 21 H ALA 21 9.613 -7.790 -6.142 150 HA ALA 21 HA ALA 21 10.711 -10.354 -5.348 151 HB1 ALA 21 1HB ALA 21 12.112 -8.756 -6.577 152 HB2 ALA 21 2HB ALA 21 12.790 -9.120 -4.991 153 HB3 ALA 21 3HB ALA 21 11.942 -7.598 -5.259 154 H LEU 22 H LEU 22 8.643 -8.380 -3.922 155 HA LEU 22 HA LEU 22 9.712 -8.875 -1.222 156 HB2 LEU 22 2HB LEU 22 8.024 -6.530 -2.117 157 HB3 LEU 22 1HB LEU 22 8.463 -6.871 -0.462 158 HG LEU 22 HG LEU 22 10.375 -6.102 -2.672 159 HD11 LEU 22 1HD1 LEU 22 9.391 -4.561 -0.274 160 HD12 LEU 22 2HD1 LEU 22 8.949 -4.259 -1.952 161 HD13 LEU 22 3HD1 LEU 22 10.613 -4.016 -1.422 162 HD21 LEU 22 1HD2 LEU 22 12.045 -5.943 -0.872 163 HD22 LEU 22 2HD2 LEU 22 11.443 -7.586 -1.057 164 HD23 LEU 22 3HD2 LEU 22 10.866 -6.583 0.274 165 H GLY 23 H GLY 23 6.831 -8.387 -3.216 166 HA2 GLY 23 2HA GLY 23 4.955 -9.846 -3.213 167 HA3 GLY 23 1HA GLY 23 5.502 -10.444 -1.654 168 H TRP 24 H TRP 24 3.433 -10.140 -0.933 169 HA TRP 24 HA TRP 24 2.260 -7.583 -0.669 170 HB2 TRP 24 2HB TRP 24 1.712 -10.194 0.746 171 HB3 TRP 24 1HB TRP 24 0.708 -8.754 0.873 172 HD1 TRP 24 HD1 TRP 24 1.500 -11.649 -1.469 173 HE1 TRP 24 HE1 TRP 24 -0.209 -11.619 -3.412 174 HE3 TRP 24 HE3 TRP 24 -0.662 -7.161 -0.536 175 HZ2 TRP 24 HZ2 TRP 24 -2.222 -9.865 -4.418 176 HZ3 TRP 24 HZ3 TRP 24 -2.428 -6.363 -2.024 177 HH2 TRP 24 HH2 TRP 24 -3.191 -7.690 -3.926 178 H VAL 25 H VAL 25 3.202 -6.124 0.466 179 HA VAL 25 HA VAL 25 4.373 -6.772 3.076 180 HB VAL 25 HB VAL 25 5.682 -4.646 2.826 181 HG11 VAL 25 1HG1 VAL 25 7.298 -5.491 1.183 182 HG12 VAL 25 2HG1 VAL 25 6.101 -6.651 0.609 183 HG13 VAL 25 3HG1 VAL 25 6.728 -6.771 2.253 184 HG21 VAL 25 1HG2 VAL 25 4.262 -3.448 1.267 185 HG22 VAL 25 2HG2 VAL 25 4.532 -4.677 0.036 186 HG23 VAL 25 3HG2 VAL 25 5.864 -3.645 0.546 187 H ARG 26 H ARG 26 4.254 -4.697 4.520 188 HA ARG 26 HA ARG 26 1.423 -4.147 4.740 189 HB2 ARG 26 2HB ARG 26 2.781 -4.710 6.741 190 HB3 ARG 26 1HB ARG 26 3.713 -3.241 6.496 191 HG2 ARG 26 2HG ARG 26 1.579 -1.946 6.758 192 HG3 ARG 26 1HG ARG 26 0.798 -3.456 7.227 193 HD2 ARG 26 2HD ARG 26 3.146 -2.160 8.608 194 HD3 ARG 26 1HD ARG 26 1.482 -2.154 9.178 195 HE ARG 26 HE ARG 26 1.680 -4.596 9.324 196 HH11 ARG 26 1HH1 ARG 26 4.683 -2.675 9.339 197 HH12 ARG 26 2HH1 ARG 26 5.538 -3.681 10.368 198 HH21 ARG 26 1HH2 ARG 26 2.889 -6.073 10.788 199 HH22 ARG 26 2HH2 ARG 26 4.491 -5.688 11.221 200 H ALA 27 H ALA 27 0.459 -2.210 4.439 201 HA ALA 27 HA ALA 27 2.045 0.177 4.016 202 HB1 ALA 27 1HB ALA 27 0.887 0.737 1.979 203 HB2 ALA 27 2HB ALA 27 0.003 -0.786 2.042 204 HB3 ALA 27 3HB ALA 27 1.749 -0.790 1.776 205 H ARG 28 H ARG 28 0.579 1.994 3.745 206 HA ARG 28 HA ARG 28 -1.900 1.709 5.307 207 HB2 ARG 28 2HB ARG 28 -1.268 3.697 6.572 208 HB3 ARG 28 1HB ARG 28 -0.015 2.482 6.763 209 HG2 ARG 28 2HG ARG 28 1.050 3.787 4.714 210 HG3 ARG 28 1HG ARG 28 0.073 5.102 5.356 211 HD2 ARG 28 2HD ARG 28 2.255 5.253 6.309 212 HD3 ARG 28 1HD ARG 28 1.151 4.710 7.573 213 HE ARG 28 HE ARG 28 2.031 2.380 6.751 214 HH11 ARG 28 1HH1 ARG 28 4.024 5.287 6.994 215 HH12 ARG 28 2HH1 ARG 28 5.402 4.476 7.559 216 HH21 ARG 28 1HH2 ARG 28 3.971 1.219 7.437 217 HH22 ARG 28 2HH2 ARG 28 5.350 2.090 7.835 218 H VAL 29 H VAL 29 -3.535 2.645 4.347 219 HA VAL 29 HA VAL 29 -3.106 4.145 1.834 220 HB VAL 29 HB VAL 29 -5.649 3.746 3.390 221 HG11 VAL 29 1HG1 VAL 29 -5.714 5.438 1.607 222 HG12 VAL 29 2HG1 VAL 29 -6.724 4.061 1.165 223 HG13 VAL 29 3HG1 VAL 29 -5.130 4.253 0.437 224 HG21 VAL 29 1HG2 VAL 29 -4.588 1.868 1.266 225 HG22 VAL 29 2HG2 VAL 29 -6.184 1.789 2.007 226 HG23 VAL 29 3HG2 VAL 29 -4.743 1.528 2.986 227 H ILE 30 H ILE 30 -2.494 6.080 1.861 228 HA ILE 30 HA ILE 30 -3.000 7.598 4.317 229 HB ILE 30 HB ILE 30 -1.353 8.350 1.912 230 HG12 ILE 30 2HG1 ILE 30 -0.522 7.256 4.608 231 HG13 ILE 30 1HG1 ILE 30 -0.251 6.523 3.031 232 HG21 ILE 30 1HG2 ILE 30 -0.502 10.175 3.372 233 HG22 ILE 30 2HG2 ILE 30 -1.557 9.629 4.669 234 HG23 ILE 30 3HG2 ILE 30 -2.253 10.299 3.200 235 HD11 ILE 30 1HD1 ILE 30 0.987 9.075 4.032 236 HD12 ILE 30 2HD1 ILE 30 1.274 8.344 2.455 237 HD13 ILE 30 3HD1 ILE 30 1.786 7.508 3.924 238 H ARG 31 H ARG 31 -3.779 7.781 0.896 239 HA ARG 31 HA ARG 31 -5.835 9.432 1.816 240 HB2 ARG 31 2HB ARG 31 -4.946 11.226 1.528 241 HB3 ARG 31 1HB ARG 31 -3.579 10.338 1.782 242 HG2 ARG 31 2HG ARG 31 -2.982 10.072 -0.556 243 HG3 ARG 31 1HG ARG 31 -4.364 11.057 -1.031 244 HD2 ARG 31 2HD ARG 31 -2.584 12.547 -1.106 245 HD3 ARG 31 1HD ARG 31 -3.318 12.874 0.457 246 HE ARG 31 HE ARG 31 -0.942 11.100 0.261 247 HH11 ARG 31 1HH1 ARG 31 -2.450 13.989 1.681 248 HH12 ARG 31 2HH1 ARG 31 -1.109 14.350 2.668 249 HH21 ARG 31 1HH2 ARG 31 0.881 11.601 1.582 250 HH22 ARG 31 2HH2 ARG 31 0.853 12.933 2.612 251 H VAL 32 H VAL 32 -7.092 9.991 0.399 252 HA VAL 32 HA VAL 32 -7.067 8.651 -2.207 253 HB VAL 32 HB VAL 32 -9.426 9.955 -0.780 254 HG11 VAL 32 1HG1 VAL 32 -9.357 8.392 -3.369 255 HG12 VAL 32 2HG1 VAL 32 -9.631 10.126 -3.221 256 HG13 VAL 32 3HG1 VAL 32 -10.810 8.990 -2.567 257 HG21 VAL 32 1HG2 VAL 32 -8.842 7.042 -1.314 258 HG22 VAL 32 2HG2 VAL 32 -10.283 7.678 -0.519 259 HG23 VAL 32 3HG2 VAL 32 -8.701 7.844 0.246 260 H LYS 33 H LYS 33 -6.077 9.823 -3.564 261 HA LYS 33 HA LYS 33 -6.252 12.735 -3.681 262 HB2 LYS 33 2HB LYS 33 -4.669 10.536 -4.430 263 HB3 LYS 33 1HB LYS 33 -4.602 11.640 -5.704 264 HG2 LYS 33 2HG LYS 33 -3.443 13.263 -4.314 265 HG3 LYS 33 1HG LYS 33 -3.958 12.448 -2.833 266 HD2 LYS 33 2HD LYS 33 -2.495 10.699 -3.118 267 HD3 LYS 33 1HD LYS 33 -2.221 10.990 -4.823 268 HE2 LYS 33 2HE LYS 33 -0.856 12.973 -4.251 269 HE3 LYS 33 1HE LYS 33 -1.317 12.873 -2.565 270 HZ1 LYS 33 1HZ LYS 33 0.970 12.062 -3.075 271 HZ2 LYS 33 2HZ LYS 33 0.351 10.740 -3.904 272 HZ3 LYS 33 3HZ LYS 33 0.087 10.940 -2.262 273 H SER 34 H SER 34 -6.448 13.433 -6.071 274 HA SER 34 HA SER 34 -8.550 11.802 -7.055 275 HB2 SER 34 2HB SER 34 -9.191 14.156 -6.609 276 HB3 SER 34 1HB SER 34 -8.010 14.701 -7.797 277 HG SER 34 HG SER 34 -10.362 14.410 -8.402 278 H GLY 35 H GLY 35 -8.753 11.977 -9.599 279 HA2 GLY 35 2HA GLY 35 -7.761 11.543 -11.676 280 HA3 GLY 35 1HA GLY 35 -6.187 11.852 -10.947 281 H GLY 36 H GLY 36 -8.284 9.717 -9.320 282 HA2 GLY 36 2HA GLY 36 -8.377 7.399 -9.146 283 HA3 GLY 36 1HA GLY 36 -7.367 7.291 -10.588 284 H ARG 37 H ARG 37 -6.495 9.227 -7.744 285 HA ARG 37 HA ARG 37 -4.112 7.750 -7.558 286 HB2 ARG 37 2HB ARG 37 -5.276 10.160 -6.940 287 HB3 ARG 37 1HB ARG 37 -3.850 9.719 -6.033 288 HG2 ARG 37 2HG ARG 37 -4.168 10.147 -8.993 289 HG3 ARG 37 1HG ARG 37 -3.135 11.068 -7.892 290 HD2 ARG 37 2HD ARG 37 -1.589 9.707 -8.711 291 HD3 ARG 37 1HD ARG 37 -2.137 8.758 -7.398 292 HE ARG 37 HE ARG 37 -2.918 7.140 -8.727 293 HH11 ARG 37 1HH1 ARG 37 -2.486 9.980 -10.832 294 HH12 ARG 37 2HH1 ARG 37 -3.037 9.197 -12.236 295 HH21 ARG 37 1HH2 ARG 37 -3.658 6.088 -10.633 296 HH22 ARG 37 2HH2 ARG 37 -3.715 6.895 -12.134 297 H VAL 38 H VAL 38 -5.037 6.169 -6.513 298 HA VAL 38 HA VAL 38 -5.892 6.587 -3.696 299 HB VAL 38 HB VAL 38 -5.242 3.936 -4.753 300 HG11 VAL 38 1HG1 VAL 38 -7.062 3.169 -3.209 301 HG12 VAL 38 2HG1 VAL 38 -7.267 4.851 -2.727 302 HG13 VAL 38 3HG1 VAL 38 -5.735 4.030 -2.431 303 HG21 VAL 38 1HG2 VAL 38 -6.696 4.752 -6.510 304 HG22 VAL 38 2HG2 VAL 38 -7.899 5.256 -5.322 305 HG23 VAL 38 3HG2 VAL 38 -7.569 3.540 -5.572 306 H VAL 39 H VAL 39 -4.225 6.979 -2.504 307 HA VAL 39 HA VAL 39 -1.687 5.760 -3.289 308 HB VAL 39 HB VAL 39 -2.186 8.511 -2.185 309 HG11 VAL 39 1HG1 VAL 39 -0.117 7.529 -1.426 310 HG12 VAL 39 2HG1 VAL 39 0.171 8.849 -2.573 311 HG13 VAL 39 3HG1 VAL 39 0.340 7.164 -3.090 312 HG21 VAL 39 1HG2 VAL 39 -1.306 7.544 -4.895 313 HG22 VAL 39 2HG2 VAL 39 -1.328 9.221 -4.378 314 HG23 VAL 39 3HG2 VAL 39 -2.844 8.316 -4.500 315 H VAL 40 H VAL 40 -0.520 4.764 -1.957 316 HA VAL 40 HA VAL 40 -1.276 4.644 0.874 317 HB VAL 40 HB VAL 40 -0.770 2.236 0.831 318 HG11 VAL 40 1HG1 VAL 40 -3.097 2.861 0.374 319 HG12 VAL 40 2HG1 VAL 40 -2.655 1.385 -0.480 320 HG13 VAL 40 3HG1 VAL 40 -2.744 2.916 -1.351 321 HG21 VAL 40 1HG2 VAL 40 -0.319 2.601 -2.134 322 HG22 VAL 40 2HG2 VAL 40 -0.433 1.045 -1.331 323 HG23 VAL 40 3HG2 VAL 40 0.891 2.145 -0.931 324 H GLN 41 H GLN 41 0.516 4.023 2.149 325 HA GLN 41 HA GLN 41 3.121 4.382 0.861 326 HB2 GLN 41 2HB GLN 41 2.575 6.344 2.196 327 HB3 GLN 41 1HB GLN 41 2.247 5.327 3.584 328 HG2 GLN 41 2HG GLN 41 4.678 4.644 3.551 329 HG3 GLN 41 1HG GLN 41 4.901 5.807 2.253 330 HE21 GLN 41 1HE2 GLN 41 4.820 7.974 2.689 331 HE22 GLN 41 2HE2 GLN 41 4.876 8.601 4.295 332 H SER 42 H SER 42 4.095 2.552 0.913 333 HA SER 42 HA SER 42 3.412 0.410 2.651 334 HB2 SER 42 2HB SER 42 5.852 0.848 0.938 335 HB3 SER 42 1HB SER 42 5.350 -0.693 1.640 336 HG SER 42 HG SER 42 4.846 0.146 -0.619 337 H ASP 43 H ASP 43 4.895 -0.598 4.143 338 HA ASP 43 HA ASP 43 5.920 1.163 6.021 339 HB2 ASP 43 2HB ASP 43 6.138 -1.806 5.693 340 HB3 ASP 43 1HB ASP 43 7.120 -1.007 6.914 341 H GLN 44 H GLN 44 7.296 0.099 3.166 342 HA GLN 44 HA GLN 44 10.009 0.642 3.966 343 HB2 GLN 44 2HB GLN 44 8.912 0.120 1.181 344 HB3 GLN 44 1HB GLN 44 10.614 0.287 1.570 345 HG2 GLN 44 2HG GLN 44 10.321 -2.015 1.449 346 HG3 GLN 44 1HG GLN 44 10.233 -1.693 3.176 347 HE21 GLN 44 1HE2 GLN 44 7.717 -1.234 0.670 348 HE22 GLN 44 2HE2 GLN 44 6.630 -2.341 1.408 349 H GLY 45 H GLY 45 7.469 2.588 3.482 350 HA2 GLY 45 2HA GLY 45 7.530 4.869 3.776 351 HA3 GLY 45 1HA GLY 45 9.215 4.890 3.334 352 H ARG 46 H ARG 46 7.241 3.284 0.948 353 HA ARG 46 HA ARG 46 7.599 5.573 -0.719 354 HB2 ARG 46 2HB ARG 46 6.722 2.743 -1.220 355 HB3 ARG 46 1HB ARG 46 6.754 3.988 -2.437 356 HG2 ARG 46 2HG ARG 46 8.736 2.841 -2.834 357 HG3 ARG 46 1HG ARG 46 9.284 4.156 -1.800 358 HD2 ARG 46 2HD ARG 46 9.104 2.631 0.144 359 HD3 ARG 46 1HD ARG 46 8.687 1.319 -0.956 360 HE ARG 46 HE ARG 46 11.217 2.797 -0.987 361 HH11 ARG 46 1HH1 ARG 46 9.452 -0.315 -1.414 362 HH12 ARG 46 2HH1 ARG 46 10.820 -1.207 -1.741 363 HH21 ARG 46 1HH2 ARG 46 13.146 1.484 -1.425 364 HH22 ARG 46 2HH2 ARG 46 12.981 -0.184 -1.739 365 H GLU 47 H GLU 47 5.930 7.044 -0.736 366 HA GLU 47 HA GLU 47 3.197 6.028 -0.428 367 HB2 GLU 47 2HB GLU 47 3.890 8.239 0.732 368 HB3 GLU 47 1HB GLU 47 4.001 8.945 -0.883 369 HG2 GLU 47 2HG GLU 47 1.680 8.221 -1.280 370 HG3 GLU 47 1HG GLU 47 1.533 7.754 0.390 371 H PHE 48 H PHE 48 2.377 5.248 -2.214 372 HA PHE 48 HA PHE 48 2.850 6.606 -4.765 373 HB2 PHE 48 2HB PHE 48 3.351 4.469 -5.911 374 HB3 PHE 48 1HB PHE 48 4.573 4.876 -4.714 375 HD1 PHE 48 HD1 PHE 48 4.486 3.723 -2.493 376 HD2 PHE 48 HD2 PHE 48 2.201 2.395 -5.814 377 HE1 PHE 48 HE1 PHE 48 4.221 1.561 -1.427 378 HE2 PHE 48 HE2 PHE 48 1.926 0.192 -4.737 379 HZ PHE 48 HZ PHE 48 2.961 -0.208 -2.504 380 H THR 49 H THR 49 1.444 5.656 -6.494 381 HA THR 49 HA THR 49 -1.184 5.415 -5.365 382 HB THR 49 HB THR 49 -0.847 6.939 -7.284 383 HG1 THR 49 HG1 THR 49 -2.648 4.805 -7.432 384 HG21 THR 49 1HG2 THR 49 0.892 5.721 -8.506 385 HG22 THR 49 2HG2 THR 49 -0.488 6.045 -9.558 386 HG23 THR 49 3HG2 THR 49 -0.256 4.434 -8.876 387 H ALA 50 H ALA 50 -2.428 3.680 -5.437 388 HA ALA 50 HA ALA 50 -1.238 1.224 -6.498 389 HB1 ALA 50 1HB ALA 50 -0.857 1.369 -4.095 390 HB2 ALA 50 2HB ALA 50 -2.005 0.090 -4.488 391 HB3 ALA 50 3HB ALA 50 -2.582 1.623 -3.832 392 H ARG 51 H ARG 51 -3.154 -0.484 -6.030 393 HA ARG 51 HA ARG 51 -5.725 0.524 -6.978 394 HB2 ARG 51 2HB ARG 51 -3.958 -1.487 -8.378 395 HB3 ARG 51 1HB ARG 51 -5.674 -1.297 -8.744 396 HG2 ARG 51 2HG ARG 51 -5.224 0.952 -9.565 397 HG3 ARG 51 1HG ARG 51 -3.527 0.794 -9.099 398 HD2 ARG 51 2HD ARG 51 -4.966 -0.941 -11.104 399 HD3 ARG 51 1HD ARG 51 -3.858 0.373 -11.499 400 HE ARG 51 HE ARG 51 -2.215 -1.014 -10.089 401 HH11 ARG 51 1HH1 ARG 51 -4.723 -2.504 -12.119 402 HH12 ARG 51 2HH1 ARG 51 -3.789 -3.841 -12.560 403 HH21 ARG 51 1HH2 ARG 51 -0.943 -2.820 -10.653 404 HH22 ARG 51 2HH2 ARG 51 -1.518 -4.048 -11.695 405 H GLY 52 H GLY 52 -7.395 -1.138 -6.493 406 HA2 GLY 52 2HA GLY 52 -6.823 -2.816 -4.276 407 HA3 GLY 52 1HA GLY 52 -8.313 -2.811 -5.217 408 H ASN 53 H ASN 53 -5.871 -3.284 -7.275 409 HA ASN 53 HA ASN 53 -6.228 -6.166 -7.364 410 HB2 ASN 53 2HB ASN 53 -4.640 -4.372 -9.225 411 HB3 ASN 53 1HB ASN 53 -5.004 -6.067 -9.501 412 HD21 ASN 53 1HD2 ASN 53 -7.747 -5.778 -8.479 413 HD22 ASN 53 2HD2 ASN 53 -8.608 -4.962 -9.727 414 H GLN 54 H GLN 54 -4.100 -3.783 -6.289 415 HA GLN 54 HA GLN 54 -1.773 -5.582 -6.081 416 HB2 GLN 54 2HB GLN 54 -2.088 -2.654 -6.456 417 HB3 GLN 54 1HB GLN 54 -0.684 -3.250 -5.603 418 HG2 GLN 54 2HG GLN 54 -0.015 -4.515 -7.544 419 HG3 GLN 54 1HG GLN 54 -1.489 -4.025 -8.390 420 HE21 GLN 54 1HE2 GLN 54 1.462 -2.855 -6.947 421 HE22 GLN 54 2HE2 GLN 54 1.573 -1.402 -7.850 422 H VAL 55 H VAL 55 -4.320 -4.364 -4.383 423 HA VAL 55 HA VAL 55 -2.894 -4.413 -1.835 424 HB VAL 55 HB VAL 55 -4.987 -2.379 -2.370 425 HG11 VAL 55 1HG1 VAL 55 -4.705 -2.792 -0.133 426 HG12 VAL 55 2HG1 VAL 55 -3.990 -1.207 -0.441 427 HG13 VAL 55 3HG1 VAL 55 -2.960 -2.623 -0.216 428 HG21 VAL 55 1HG2 VAL 55 -2.049 -1.875 -2.818 429 HG22 VAL 55 2HG2 VAL 55 -3.218 -0.593 -2.517 430 HG23 VAL 55 3HG2 VAL 55 -3.389 -1.627 -3.935 431 H ARG 56 H ARG 56 -3.950 -5.197 -0.354 432 HA ARG 56 HA ARG 56 -6.724 -5.738 -0.805 433 HB2 ARG 56 2HB ARG 56 -4.585 -7.578 0.160 434 HB3 ARG 56 1HB ARG 56 -6.312 -7.920 0.201 435 HG2 ARG 56 2HG ARG 56 -4.649 -7.369 -2.193 436 HG3 ARG 56 1HG ARG 56 -5.082 -8.973 -1.751 437 HD2 ARG 56 2HD ARG 56 -6.570 -6.811 -3.104 438 HD3 ARG 56 1HD ARG 56 -6.742 -8.555 -3.303 439 HE ARG 56 HE ARG 56 -8.060 -8.441 -1.132 440 HH11 ARG 56 1HH1 ARG 56 -7.937 -5.674 -3.413 441 HH12 ARG 56 2HH1 ARG 56 -9.269 -4.877 -2.734 442 HH21 ARG 56 1HH2 ARG 56 -9.847 -7.299 -0.192 443 HH22 ARG 56 2HH2 ARG 56 -10.415 -5.837 -0.917 444 H LEU 57 H LEU 57 -7.776 -5.769 1.128 445 HA LEU 57 HA LEU 57 -6.814 -4.144 3.249 446 HB2 LEU 57 2HB LEU 57 -9.150 -6.054 3.241 447 HB3 LEU 57 1HB LEU 57 -8.905 -4.726 4.353 448 HG LEU 57 HG LEU 57 -9.440 -4.463 1.393 449 HD11 LEU 57 1HD1 LEU 57 -11.204 -3.919 3.771 450 HD12 LEU 57 2HD1 LEU 57 -11.384 -5.243 2.619 451 HD13 LEU 57 3HD1 LEU 57 -11.604 -3.576 2.088 452 HD21 LEU 57 1HD2 LEU 57 -9.690 -2.073 1.881 453 HD22 LEU 57 2HD2 LEU 57 -8.057 -2.642 2.214 454 HD23 LEU 57 3HD2 LEU 57 -9.183 -2.363 3.544 455 H ILE 58 H ILE 58 -7.371 -5.222 5.574 456 HA ILE 58 HA ILE 58 -5.518 -7.328 5.983 457 HB ILE 58 HB ILE 58 -6.453 -7.407 8.362 458 HG12 ILE 58 2HG1 ILE 58 -7.880 -4.886 7.441 459 HG13 ILE 58 1HG1 ILE 58 -8.664 -6.399 7.878 460 HG21 ILE 58 1HG2 ILE 58 -5.268 -4.841 7.330 461 HG22 ILE 58 2HG2 ILE 58 -4.391 -6.286 7.836 462 HG23 ILE 58 3HG2 ILE 58 -5.293 -5.341 9.020 463 HD11 ILE 58 1HD1 ILE 58 -7.074 -4.627 9.725 464 HD12 ILE 58 2HD1 ILE 58 -7.858 -6.141 10.175 465 HD13 ILE 58 3HD1 ILE 58 -8.832 -4.762 9.666 466 H GLU 59 H GLU 59 -6.082 -8.908 4.763 467 HA GLU 59 HA GLU 59 -8.156 -10.742 5.588 468 HB2 GLU 59 2HB GLU 59 -8.806 -10.967 3.120 469 HB3 GLU 59 1HB GLU 59 -9.316 -9.454 3.861 470 HG2 GLU 59 2HG GLU 59 -7.373 -8.315 2.872 471 HG3 GLU 59 1HG GLU 59 -6.869 -9.824 2.134 Start of MODEL 9 1 H1 SER 1 1H SER 1 -12.761 -0.209 -13.207 2 H2 SER 1 2H SER 1 -13.459 0.891 -12.187 3 H3 SER 1 3H SER 1 -13.669 1.051 -13.904 4 HA SER 1 HA SER 1 -15.652 0.172 -12.927 5 HB2 SER 1 2HB SER 1 -14.036 -2.048 -14.213 6 HB3 SER 1 1HB SER 1 -15.791 -1.846 -14.255 7 HG SER 1 HG SER 1 -14.707 -1.102 -16.180 8 H ASN 2 H ASN 2 -16.365 -0.572 -11.046 9 HA ASN 2 HA ASN 2 -14.921 -0.977 -8.868 10 HB2 ASN 2 2HB ASN 2 -17.623 -2.168 -9.426 11 HB3 ASN 2 1HB ASN 2 -16.911 -2.010 -7.822 12 HD21 ASN 2 1HD2 ASN 2 -16.752 0.024 -6.900 13 HD22 ASN 2 2HD2 ASN 2 -17.582 1.395 -7.549 14 H ALA 3 H ALA 3 -13.220 -2.162 -9.052 15 HA ALA 3 HA ALA 3 -12.954 -4.651 -7.936 16 HB1 ALA 3 1HB ALA 3 -12.941 -4.958 -10.959 17 HB2 ALA 3 2HB ALA 3 -14.154 -5.637 -9.875 18 HB3 ALA 3 3HB ALA 3 -12.486 -6.203 -9.795 19 H MET 4 H MET 4 -11.867 -2.175 -9.989 20 HA MET 4 HA MET 4 -9.091 -3.145 -9.855 21 HB2 MET 4 2HB MET 4 -8.603 -1.650 -11.735 22 HB3 MET 4 1HB MET 4 -9.922 -2.741 -12.133 23 HG2 MET 4 2HG MET 4 -11.509 -0.892 -11.536 24 HG3 MET 4 1HG MET 4 -10.114 0.169 -11.402 25 HE1 MET 4 1HE MET 4 -8.273 -0.919 -13.820 26 HE2 MET 4 2HE MET 4 -8.529 0.792 -13.485 27 HE3 MET 4 3HE MET 4 -8.774 0.168 -15.115 28 H GLU 5 H GLU 5 -11.170 -0.878 -8.644 29 HA GLU 5 HA GLU 5 -9.012 0.774 -7.594 30 HB2 GLU 5 2HB GLU 5 -10.612 2.660 -7.559 31 HB3 GLU 5 1HB GLU 5 -10.313 2.080 -9.185 32 HG2 GLU 5 2HG GLU 5 -12.779 1.407 -7.557 33 HG3 GLU 5 1HG GLU 5 -12.678 2.725 -8.716 34 H LEU 6 H LEU 6 -9.166 1.350 -5.456 35 HA LEU 6 HA LEU 6 -11.321 0.175 -3.816 36 HB2 LEU 6 2HB LEU 6 -8.377 -0.012 -3.315 37 HB3 LEU 6 1HB LEU 6 -9.607 -0.322 -2.111 38 HG LEU 6 HG LEU 6 -9.171 -1.904 -4.637 39 HD11 LEU 6 1HD1 LEU 6 -7.480 -2.240 -2.926 40 HD12 LEU 6 2HD1 LEU 6 -8.498 -3.676 -3.118 41 HD13 LEU 6 3HD1 LEU 6 -8.736 -2.600 -1.740 42 HD21 LEU 6 1HD2 LEU 6 -11.534 -1.867 -4.080 43 HD22 LEU 6 2HD2 LEU 6 -11.166 -2.277 -2.405 44 HD23 LEU 6 3HD2 LEU 6 -10.849 -3.445 -3.687 45 H ASP 7 H ASP 7 -12.428 1.701 -3.152 46 HA ASP 7 HA ASP 7 -11.104 4.058 -2.221 47 HB2 ASP 7 2HB ASP 7 -13.389 4.299 -3.144 48 HB3 ASP 7 1HB ASP 7 -14.009 3.262 -1.851 49 H LEU 8 H LEU 8 -9.859 3.414 -0.877 50 HA LEU 8 HA LEU 8 -10.848 2.353 1.640 51 HB2 LEU 8 2HB LEU 8 -8.527 1.874 -0.026 52 HB3 LEU 8 1HB LEU 8 -8.206 1.774 1.739 53 HG LEU 8 HG LEU 8 -10.019 0.116 -0.047 54 HD11 LEU 8 1HD1 LEU 8 -7.666 -0.413 -0.269 55 HD12 LEU 8 2HD1 LEU 8 -8.508 -1.719 0.573 56 HD13 LEU 8 3HD1 LEU 8 -7.518 -0.574 1.480 57 HD21 LEU 8 1HD2 LEU 8 -11.084 0.369 2.137 58 HD22 LEU 8 2HD2 LEU 8 -9.587 -0.099 2.939 59 HD23 LEU 8 3HD2 LEU 8 -10.456 -1.268 1.948 60 H GLN 9 H GLN 9 -10.259 3.550 3.375 61 HA GLN 9 HA GLN 9 -9.910 6.251 2.555 62 HB2 GLN 9 2HB GLN 9 -10.911 5.027 5.083 63 HB3 GLN 9 1HB GLN 9 -10.554 6.735 4.980 64 HG2 GLN 9 2HG GLN 9 -12.609 5.223 3.366 65 HG3 GLN 9 1HG GLN 9 -12.917 6.392 4.651 66 HE21 GLN 9 1HE2 GLN 9 -12.340 5.971 1.275 67 HE22 GLN 9 2HE2 GLN 9 -12.314 7.606 0.857 68 HA PRO 10 HA PRO 10 -5.896 6.888 3.927 69 HB2 PRO 10 2HB PRO 10 -6.675 9.395 5.292 70 HB3 PRO 10 1HB PRO 10 -5.598 9.145 3.917 71 HG2 PRO 10 2HG PRO 10 -8.018 10.232 3.581 72 HG3 PRO 10 1HG PRO 10 -7.243 9.217 2.351 73 HD2 PRO 10 2HD PRO 10 -9.428 8.507 4.226 74 HD3 PRO 10 1HD PRO 10 -9.160 7.997 2.567 75 H GLY 11 H GLY 11 -4.934 5.919 5.624 76 HA2 GLY 11 2HA GLY 11 -4.400 6.027 8.004 77 HA3 GLY 11 1HA GLY 11 -6.126 6.184 8.307 78 H ASP 12 H ASP 12 -6.354 4.147 5.934 79 HA ASP 12 HA ASP 12 -6.784 1.870 7.572 80 HB2 ASP 12 2HB ASP 12 -7.889 2.617 5.306 81 HB3 ASP 12 1HB ASP 12 -6.549 1.762 4.573 82 H VAL 13 H VAL 13 -5.765 -0.231 7.135 83 HA VAL 13 HA VAL 13 -2.907 -0.017 6.496 84 HB VAL 13 HB VAL 13 -3.963 -1.465 8.955 85 HG11 VAL 13 1HG1 VAL 13 -2.045 -2.575 7.963 86 HG12 VAL 13 2HG1 VAL 13 -1.595 -1.838 9.502 87 HG13 VAL 13 3HG1 VAL 13 -1.130 -1.068 7.983 88 HG21 VAL 13 1HG2 VAL 13 -2.323 1.070 8.788 89 HG22 VAL 13 2HG2 VAL 13 -2.724 0.216 10.278 90 HG23 VAL 13 3HG2 VAL 13 -4.002 0.952 9.307 91 H VAL 14 H VAL 14 -2.623 -1.356 4.867 92 HA VAL 14 HA VAL 14 -4.075 -3.892 4.851 93 HB VAL 14 HB VAL 14 -4.486 -3.578 2.400 94 HG11 VAL 14 1HG1 VAL 14 -6.382 -2.076 2.594 95 HG12 VAL 14 2HG1 VAL 14 -5.714 -1.372 4.058 96 HG13 VAL 14 3HG1 VAL 14 -6.281 -3.033 4.076 97 HG21 VAL 14 1HG2 VAL 14 -2.734 -1.916 1.975 98 HG22 VAL 14 2HG2 VAL 14 -3.630 -0.730 2.925 99 HG23 VAL 14 3HG2 VAL 14 -4.308 -1.346 1.419 100 H LYS 15 H LYS 15 -3.213 -5.143 2.840 101 HA LYS 15 HA LYS 15 -0.306 -4.860 2.689 102 HB2 LYS 15 2HB LYS 15 -0.569 -7.356 1.836 103 HB3 LYS 15 1HB LYS 15 -0.434 -7.019 3.542 104 HG2 LYS 15 2HG LYS 15 -2.783 -7.292 3.851 105 HG3 LYS 15 1HG LYS 15 -3.064 -7.302 2.115 106 HD2 LYS 15 2HD LYS 15 -1.885 -9.397 1.922 107 HD3 LYS 15 1HD LYS 15 -1.522 -9.381 3.652 108 HE2 LYS 15 2HE LYS 15 -4.360 -9.112 2.834 109 HE3 LYS 15 1HE LYS 15 -3.641 -10.763 2.738 110 HZ1 LYS 15 1HZ LYS 15 -4.766 -10.476 4.645 111 HZ2 LYS 15 2HZ LYS 15 -4.274 -8.909 4.892 112 HZ3 LYS 15 3HZ LYS 15 -3.183 -10.215 5.226 113 H VAL 16 H VAL 16 0.453 -4.312 0.834 114 HA VAL 16 HA VAL 16 -1.222 -4.642 -1.552 115 HB VAL 16 HB VAL 16 0.579 -2.266 -0.957 116 HG11 VAL 16 1HG1 VAL 16 0.507 -2.734 -3.326 117 HG12 VAL 16 2HG1 VAL 16 -0.430 -1.274 -2.996 118 HG13 VAL 16 3HG1 VAL 16 -1.251 -2.806 -3.291 119 HG21 VAL 16 1HG2 VAL 16 -1.467 -0.932 -0.807 120 HG22 VAL 16 2HG2 VAL 16 -1.438 -2.220 0.404 121 HG23 VAL 16 3HG2 VAL 16 -2.422 -2.395 -1.045 122 H LEU 17 H LEU 17 -0.207 -5.551 -3.159 123 HA LEU 17 HA LEU 17 2.561 -6.271 -2.823 124 HB2 LEU 17 2HB LEU 17 1.033 -7.944 -3.662 125 HB3 LEU 17 1HB LEU 17 0.522 -6.973 -4.993 126 HG LEU 17 HG LEU 17 3.318 -8.134 -4.667 127 HD11 LEU 17 1HD1 LEU 17 0.973 -9.191 -6.248 128 HD12 LEU 17 2HD1 LEU 17 1.664 -9.916 -4.797 129 HD13 LEU 17 3HD1 LEU 17 2.610 -9.846 -6.282 130 HD21 LEU 17 1HD2 LEU 17 1.928 -7.038 -7.127 131 HD22 LEU 17 2HD2 LEU 17 3.540 -7.749 -7.080 132 HD23 LEU 17 3HD2 LEU 17 3.219 -6.235 -6.233 133 H GLU 18 H GLU 18 3.755 -4.659 -2.928 134 HA GLU 18 HA GLU 18 3.432 -2.285 -4.359 135 HB2 GLU 18 2HB GLU 18 4.751 -2.459 -2.345 136 HB3 GLU 18 1HB GLU 18 5.845 -3.591 -3.114 137 HG2 GLU 18 2HG GLU 18 6.547 -1.792 -4.653 138 HG3 GLU 18 1HG GLU 18 5.535 -0.661 -3.757 139 H SER 19 H SER 19 5.716 -4.937 -4.864 140 HA SER 19 HA SER 19 5.605 -4.592 -7.725 141 HB2 SER 19 2HB SER 19 8.093 -4.150 -6.090 142 HB3 SER 19 1HB SER 19 8.133 -4.449 -7.833 143 HG SER 19 HG SER 19 6.379 -2.477 -7.010 144 H ALA 20 H ALA 20 6.330 -6.416 -8.841 145 HA ALA 20 HA ALA 20 6.256 -8.847 -7.332 146 HB1 ALA 20 1HB ALA 20 5.132 -8.703 -9.513 147 HB2 ALA 20 2HB ALA 20 6.369 -9.962 -9.516 148 HB3 ALA 20 3HB ALA 20 6.686 -8.412 -10.293 149 H ALA 21 H ALA 21 7.988 -8.719 -6.094 150 HA ALA 21 HA ALA 21 10.375 -9.924 -6.845 151 HB1 ALA 21 1HB ALA 21 11.952 -8.039 -6.431 152 HB2 ALA 21 2HB ALA 21 10.585 -6.925 -6.363 153 HB3 ALA 21 3HB ALA 21 10.975 -7.754 -7.873 154 H LEU 22 H LEU 22 8.846 -7.519 -4.811 155 HA LEU 22 HA LEU 22 9.818 -8.907 -2.426 156 HB2 LEU 22 2HB LEU 22 8.371 -6.274 -2.731 157 HB3 LEU 22 1HB LEU 22 8.861 -6.963 -1.193 158 HG LEU 22 HG LEU 22 10.689 -6.012 -3.402 159 HD11 LEU 22 1HD1 LEU 22 10.140 -4.916 -0.652 160 HD12 LEU 22 2HD1 LEU 22 9.628 -4.196 -2.179 161 HD13 LEU 22 3HD1 LEU 22 11.343 -4.303 -1.783 162 HD21 LEU 22 1HD2 LEU 22 11.344 -7.189 -0.696 163 HD22 LEU 22 2HD2 LEU 22 12.503 -6.420 -1.776 164 HD23 LEU 22 3HD2 LEU 22 11.699 -7.910 -2.270 165 H GLY 23 H GLY 23 6.790 -7.749 -3.906 166 HA2 GLY 23 2HA GLY 23 4.916 -9.278 -4.019 167 HA3 GLY 23 1HA GLY 23 5.508 -9.973 -2.528 168 H TRP 24 H TRP 24 3.713 -9.710 -1.436 169 HA TRP 24 HA TRP 24 2.287 -7.294 -1.109 170 HB2 TRP 24 2HB TRP 24 2.315 -9.843 0.508 171 HB3 TRP 24 1HB TRP 24 1.125 -8.553 0.656 172 HD1 TRP 24 HD1 TRP 24 2.122 -11.444 -1.638 173 HE1 TRP 24 HE1 TRP 24 0.248 -11.786 -3.380 174 HE3 TRP 24 HE3 TRP 24 -0.674 -7.345 -0.588 175 HZ2 TRP 24 HZ2 TRP 24 -2.113 -10.455 -4.203 176 HZ3 TRP 24 HZ3 TRP 24 -2.702 -6.931 -1.878 177 HH2 TRP 24 HH2 TRP 24 -3.415 -8.453 -3.656 178 H VAL 25 H VAL 25 3.047 -5.601 -0.059 179 HA VAL 25 HA VAL 25 4.732 -6.053 2.304 180 HB VAL 25 HB VAL 25 4.585 -3.411 0.845 181 HG11 VAL 25 1HG1 VAL 25 6.743 -4.594 2.547 182 HG12 VAL 25 2HG1 VAL 25 5.609 -3.310 2.981 183 HG13 VAL 25 3HG1 VAL 25 6.820 -3.032 1.732 184 HG21 VAL 25 1HG2 VAL 25 5.220 -4.998 -0.910 185 HG22 VAL 25 2HG2 VAL 25 6.505 -5.630 0.116 186 HG23 VAL 25 3HG2 VAL 25 6.592 -3.975 -0.485 187 H ARG 26 H ARG 26 4.368 -4.296 3.875 188 HA ARG 26 HA ARG 26 1.548 -4.014 4.492 189 HB2 ARG 26 2HB ARG 26 3.234 -4.458 6.220 190 HB3 ARG 26 1HB ARG 26 4.019 -2.929 5.830 191 HG2 ARG 26 2HG ARG 26 1.912 -1.779 6.524 192 HG3 ARG 26 1HG ARG 26 1.314 -3.347 7.082 193 HD2 ARG 26 2HD ARG 26 3.804 -1.938 8.041 194 HD3 ARG 26 1HD ARG 26 2.286 -2.082 8.919 195 HE ARG 26 HE ARG 26 2.669 -4.472 9.000 196 HH11 ARG 26 1HH1 ARG 26 5.516 -2.511 8.123 197 HH12 ARG 26 2HH1 ARG 26 6.644 -3.427 8.903 198 HH21 ARG 26 1HH2 ARG 26 4.295 -5.905 10.082 199 HH22 ARG 26 2HH2 ARG 26 5.942 -5.458 10.022 200 H ALA 27 H ALA 27 0.379 -2.263 4.047 201 HA ALA 27 HA ALA 27 1.780 0.195 3.410 202 HB1 ALA 27 1HB ALA 27 0.616 0.531 1.354 203 HB2 ALA 27 2HB ALA 27 -0.327 -0.935 1.596 204 HB3 ALA 27 3HB ALA 27 1.407 -1.045 1.293 205 H ARG 28 H ARG 28 0.779 1.958 4.011 206 HA ARG 28 HA ARG 28 -1.853 1.718 5.316 207 HB2 ARG 28 2HB ARG 28 -0.019 2.318 6.810 208 HB3 ARG 28 1HB ARG 28 0.503 3.577 5.712 209 HG2 ARG 28 2HG ARG 28 -1.585 4.792 6.153 210 HG3 ARG 28 1HG ARG 28 -2.056 3.533 7.303 211 HD2 ARG 28 2HD ARG 28 -1.020 5.463 8.431 212 HD3 ARG 28 1HD ARG 28 -0.074 3.988 8.640 213 HE ARG 28 HE ARG 28 0.651 5.752 6.449 214 HH11 ARG 28 1HH1 ARG 28 1.417 4.648 9.710 215 HH12 ARG 28 2HH1 ARG 28 3.034 5.185 9.704 216 HH21 ARG 28 1HH2 ARG 28 2.898 6.543 6.396 217 HH22 ARG 28 2HH2 ARG 28 3.894 6.305 7.736 218 H VAL 29 H VAL 29 -3.430 2.673 4.315 219 HA VAL 29 HA VAL 29 -3.062 4.155 1.865 220 HB VAL 29 HB VAL 29 -5.500 4.037 3.640 221 HG11 VAL 29 1HG1 VAL 29 -6.723 4.485 1.529 222 HG12 VAL 29 2HG1 VAL 29 -5.179 4.569 0.675 223 HG13 VAL 29 3HG1 VAL 29 -5.569 5.765 1.906 224 HG21 VAL 29 1HG2 VAL 29 -4.776 2.156 1.388 225 HG22 VAL 29 2HG2 VAL 29 -6.280 2.142 2.314 226 HG23 VAL 29 3HG2 VAL 29 -4.753 1.773 3.106 227 H ILE 30 H ILE 30 -2.634 6.108 1.615 228 HA ILE 30 HA ILE 30 -2.678 7.843 3.982 229 HB ILE 30 HB ILE 30 -1.052 8.060 1.453 230 HG12 ILE 30 2HG1 ILE 30 -0.230 6.321 2.945 231 HG13 ILE 30 1HG1 ILE 30 0.892 7.673 2.901 232 HG21 ILE 30 1HG2 ILE 30 0.108 9.972 2.491 233 HG22 ILE 30 2HG2 ILE 30 -1.021 9.903 3.845 234 HG23 ILE 30 3HG2 ILE 30 -1.609 10.290 2.228 235 HD11 ILE 30 1HD1 ILE 30 0.695 6.862 5.139 236 HD12 ILE 30 2HD1 ILE 30 -1.058 7.008 5.098 237 HD13 ILE 30 3HD1 ILE 30 -0.050 8.459 5.053 238 H ARG 31 H ARG 31 -3.745 7.613 0.558 239 HA ARG 31 HA ARG 31 -5.437 9.738 1.130 240 HB2 ARG 31 2HB ARG 31 -3.737 11.039 0.552 241 HB3 ARG 31 1HB ARG 31 -2.992 9.669 -0.167 242 HG2 ARG 31 2HG ARG 31 -3.844 9.828 -2.165 243 HG3 ARG 31 1HG ARG 31 -5.221 10.755 -1.641 244 HD2 ARG 31 2HD ARG 31 -3.572 12.026 -3.004 245 HD3 ARG 31 1HD ARG 31 -3.661 12.742 -1.374 246 HE ARG 31 HE ARG 31 -1.562 10.730 -1.911 247 HH11 ARG 31 1HH1 ARG 31 -2.262 14.151 -1.255 248 HH12 ARG 31 2HH1 ARG 31 -0.623 14.573 -1.075 249 HH21 ARG 31 1HH2 ARG 31 0.746 11.337 -1.673 250 HH22 ARG 31 2HH2 ARG 31 1.108 12.920 -1.322 251 H VAL 32 H VAL 32 -6.817 9.961 -0.449 252 HA VAL 32 HA VAL 32 -7.337 7.660 -2.147 253 HB VAL 32 HB VAL 32 -9.698 8.505 -2.196 254 HG11 VAL 32 1HG1 VAL 32 -8.517 7.733 0.468 255 HG12 VAL 32 2HG1 VAL 32 -9.047 6.626 -0.800 256 HG13 VAL 32 3HG1 VAL 32 -10.229 7.619 0.061 257 HG21 VAL 32 1HG2 VAL 32 -10.439 9.987 -0.377 258 HG22 VAL 32 2HG2 VAL 32 -9.322 10.807 -1.471 259 HG23 VAL 32 3HG2 VAL 32 -8.757 10.231 0.096 260 H LYS 33 H LYS 33 -6.710 7.981 -4.128 261 HA LYS 33 HA LYS 33 -7.635 10.353 -5.557 262 HB2 LYS 33 2HB LYS 33 -5.398 8.730 -5.425 263 HB3 LYS 33 1HB LYS 33 -5.671 8.991 -7.087 264 HG2 LYS 33 2HG LYS 33 -5.297 11.327 -6.858 265 HG3 LYS 33 1HG LYS 33 -5.638 11.308 -5.122 266 HD2 LYS 33 2HD LYS 33 -3.680 10.238 -4.628 267 HD3 LYS 33 1HD LYS 33 -3.390 9.753 -6.277 268 HE2 LYS 33 2HE LYS 33 -3.267 12.558 -5.077 269 HE3 LYS 33 1HE LYS 33 -1.869 11.614 -5.578 270 HZ1 LYS 33 1HZ LYS 33 -3.981 12.694 -7.390 271 HZ2 LYS 33 2HZ LYS 33 -2.637 11.799 -7.894 272 HZ3 LYS 33 3HZ LYS 33 -2.426 13.323 -7.202 273 H SER 34 H SER 34 -7.840 9.555 -8.043 274 HA SER 34 HA SER 34 -9.726 7.609 -7.527 275 HB2 SER 34 2HB SER 34 -10.672 8.461 -9.824 276 HB3 SER 34 1HB SER 34 -10.840 9.437 -8.359 277 HG SER 34 HG SER 34 -9.929 10.457 -10.373 278 H GLY 35 H GLY 35 -10.101 5.783 -8.732 279 HA2 GLY 35 2HA GLY 35 -9.858 4.141 -10.265 280 HA3 GLY 35 1HA GLY 35 -8.809 5.201 -11.189 281 H GLY 36 H GLY 36 -6.632 5.275 -10.644 282 HA2 GLY 36 2HA GLY 36 -5.740 2.846 -9.247 283 HA3 GLY 36 1HA GLY 36 -5.168 3.197 -10.871 284 H ARG 37 H ARG 37 -5.677 5.741 -8.538 285 HA ARG 37 HA ARG 37 -2.789 5.813 -8.064 286 HB2 ARG 37 2HB ARG 37 -4.153 7.447 -9.566 287 HB3 ARG 37 1HB ARG 37 -4.173 8.346 -8.049 288 HG2 ARG 37 2HG ARG 37 -1.676 7.466 -9.584 289 HG3 ARG 37 1HG ARG 37 -2.160 9.126 -9.238 290 HD2 ARG 37 2HD ARG 37 -1.874 8.658 -6.819 291 HD3 ARG 37 1HD ARG 37 -1.319 7.053 -7.197 292 HE ARG 37 HE ARG 37 0.306 8.923 -8.530 293 HH11 ARG 37 1HH1 ARG 37 -0.199 7.501 -5.277 294 HH12 ARG 37 2HH1 ARG 37 1.229 8.237 -4.658 295 HH21 ARG 37 1HH2 ARG 37 2.393 9.828 -7.453 296 HH22 ARG 37 2HH2 ARG 37 2.569 9.436 -5.793 297 H VAL 38 H VAL 38 -4.765 4.706 -6.762 298 HA VAL 38 HA VAL 38 -5.442 6.059 -4.311 299 HB VAL 38 HB VAL 38 -4.810 3.124 -4.428 300 HG11 VAL 38 1HG1 VAL 38 -6.705 4.652 -2.650 301 HG12 VAL 38 2HG1 VAL 38 -5.147 3.963 -2.195 302 HG13 VAL 38 3HG1 VAL 38 -6.485 2.901 -2.633 303 HG21 VAL 38 1HG2 VAL 38 -6.353 3.535 -6.261 304 HG22 VAL 38 2HG2 VAL 38 -7.432 4.419 -5.183 305 HG23 VAL 38 3HG2 VAL 38 -7.201 2.683 -4.968 306 H VAL 39 H VAL 39 -4.203 6.464 -2.624 307 HA VAL 39 HA VAL 39 -1.344 6.043 -3.053 308 HB VAL 39 HB VAL 39 -2.859 8.162 -1.554 309 HG11 VAL 39 1HG1 VAL 39 -0.739 9.183 -0.981 310 HG12 VAL 39 2HG1 VAL 39 0.112 7.921 -1.859 311 HG13 VAL 39 3HG1 VAL 39 -0.744 7.516 -0.376 312 HG21 VAL 39 1HG2 VAL 39 -1.044 8.263 -3.942 313 HG22 VAL 39 2HG2 VAL 39 -1.850 9.646 -3.211 314 HG23 VAL 39 3HG2 VAL 39 -2.797 8.369 -3.973 315 H VAL 40 H VAL 40 -0.240 4.760 -1.767 316 HA VAL 40 HA VAL 40 -1.102 4.402 0.968 317 HB VAL 40 HB VAL 40 -0.562 1.982 0.835 318 HG11 VAL 40 1HG1 VAL 40 -2.883 2.558 0.690 319 HG12 VAL 40 2HG1 VAL 40 -2.554 1.185 -0.360 320 HG13 VAL 40 3HG1 VAL 40 -2.755 2.797 -1.052 321 HG21 VAL 40 1HG2 VAL 40 -0.422 2.403 -2.149 322 HG22 VAL 40 2HG2 VAL 40 -0.364 0.839 -1.332 323 HG23 VAL 40 3HG2 VAL 40 0.928 2.013 -1.088 324 H GLN 41 H GLN 41 0.616 3.958 2.279 325 HA GLN 41 HA GLN 41 3.283 4.245 1.085 326 HB2 GLN 41 2HB GLN 41 2.526 6.386 1.982 327 HB3 GLN 41 1HB GLN 41 2.154 5.632 3.511 328 HG2 GLN 41 2HG GLN 41 4.612 5.084 3.691 329 HG3 GLN 41 1HG GLN 41 4.901 6.156 2.335 330 HE21 GLN 41 1HE2 GLN 41 5.991 7.716 3.419 331 HE22 GLN 41 2HE2 GLN 41 5.284 8.694 4.653 332 H SER 42 H SER 42 4.489 2.639 1.715 333 HA SER 42 HA SER 42 3.775 0.805 3.763 334 HB2 SER 42 2HB SER 42 6.233 1.329 2.139 335 HB3 SER 42 1HB SER 42 6.285 0.061 3.344 336 HG SER 42 HG SER 42 4.360 -0.727 2.215 337 H ASP 43 H ASP 43 5.084 0.407 5.726 338 HA ASP 43 HA ASP 43 5.215 2.766 7.249 339 HB2 ASP 43 2HB ASP 43 6.070 1.229 9.067 340 HB3 ASP 43 1HB ASP 43 4.532 0.777 8.344 341 H GLN 44 H GLN 44 7.423 1.236 5.313 342 HA GLN 44 HA GLN 44 9.803 2.316 6.478 343 HB2 GLN 44 2HB GLN 44 10.870 1.567 4.338 344 HB3 GLN 44 1HB GLN 44 10.010 0.301 5.204 345 HG2 GLN 44 2HG GLN 44 8.092 0.631 3.709 346 HG3 GLN 44 1HG GLN 44 9.026 1.813 2.800 347 HE21 GLN 44 1HE2 GLN 44 7.841 -0.700 1.897 348 HE22 GLN 44 2HE2 GLN 44 9.147 -1.638 1.300 349 H GLY 45 H GLY 45 7.272 3.760 4.962 350 HA2 GLY 45 2HA GLY 45 7.156 6.093 4.927 351 HA3 GLY 45 1HA GLY 45 8.876 6.167 4.675 352 H ARG 46 H ARG 46 7.923 4.001 2.329 353 HA ARG 46 HA ARG 46 7.964 6.192 0.522 354 HB2 ARG 46 2HB ARG 46 8.547 4.624 -1.094 355 HB3 ARG 46 1HB ARG 46 9.571 4.391 0.300 356 HG2 ARG 46 2HG ARG 46 7.750 2.486 0.784 357 HG3 ARG 46 1HG ARG 46 7.605 2.559 -0.979 358 HD2 ARG 46 2HD ARG 46 10.269 2.581 -0.831 359 HD3 ARG 46 1HD ARG 46 9.867 1.885 0.745 360 HE ARG 46 HE ARG 46 8.544 0.412 -1.245 361 HH11 ARG 46 1HH1 ARG 46 11.764 0.950 0.146 362 HH12 ARG 46 2HH1 ARG 46 12.398 -0.540 -0.377 363 HH21 ARG 46 1HH2 ARG 46 9.398 -1.582 -1.965 364 HH22 ARG 46 2HH2 ARG 46 11.002 -2.035 -1.657 365 H GLU 47 H GLU 47 6.354 6.875 -0.659 366 HA GLU 47 HA GLU 47 3.681 5.732 -0.416 367 HB2 GLU 47 2HB GLU 47 4.077 8.225 -0.379 368 HB3 GLU 47 1HB GLU 47 4.698 8.116 -2.022 369 HG2 GLU 47 2HG GLU 47 2.416 7.004 -2.557 370 HG3 GLU 47 1HG GLU 47 1.917 7.703 -1.025 371 H PHE 48 H PHE 48 2.708 4.683 -2.047 372 HA PHE 48 HA PHE 48 3.670 4.927 -4.697 373 HB2 PHE 48 2HB PHE 48 3.700 2.424 -5.099 374 HB3 PHE 48 1HB PHE 48 5.050 3.040 -4.166 375 HD1 PHE 48 HD1 PHE 48 2.209 0.806 -4.243 376 HD2 PHE 48 HD2 PHE 48 5.143 2.590 -1.737 377 HE1 PHE 48 HE1 PHE 48 1.810 -0.926 -2.539 378 HE2 PHE 48 HE2 PHE 48 4.743 0.876 -0.039 379 HZ PHE 48 HZ PHE 48 3.101 -0.881 -0.425 380 H THR 49 H THR 49 2.141 3.512 -6.135 381 HA THR 49 HA THR 49 -0.449 4.331 -5.162 382 HB THR 49 HB THR 49 0.253 5.333 -7.309 383 HG1 THR 49 HG1 THR 49 -1.760 3.993 -8.397 384 HG21 THR 49 1HG2 THR 49 0.365 3.966 -9.352 385 HG22 THR 49 2HG2 THR 49 0.158 2.506 -8.383 386 HG23 THR 49 3HG2 THR 49 1.614 3.483 -8.198 387 H ALA 50 H ALA 50 -2.144 2.977 -5.133 388 HA ALA 50 HA ALA 50 -1.457 0.135 -5.259 389 HB1 ALA 50 1HB ALA 50 -3.564 1.514 -3.616 390 HB2 ALA 50 2HB ALA 50 -1.999 0.947 -3.026 391 HB3 ALA 50 3HB ALA 50 -3.196 -0.210 -3.608 392 H ARG 51 H ARG 51 -2.714 -1.218 -6.360 393 HA ARG 51 HA ARG 51 -5.041 -0.124 -7.804 394 HB2 ARG 51 2HB ARG 51 -3.183 -2.415 -8.476 395 HB3 ARG 51 1HB ARG 51 -4.667 -2.073 -9.346 396 HG2 ARG 51 2HG ARG 51 -3.762 0.033 -10.125 397 HG3 ARG 51 1HG ARG 51 -2.307 -0.215 -9.152 398 HD2 ARG 51 2HD ARG 51 -2.023 -0.815 -11.553 399 HD3 ARG 51 1HD ARG 51 -1.683 -2.134 -10.436 400 HE ARG 51 HE ARG 51 -4.325 -1.936 -11.682 401 HH11 ARG 51 1HH1 ARG 51 -1.295 -3.745 -11.254 402 HH12 ARG 51 2HH1 ARG 51 -1.788 -5.123 -12.101 403 HH21 ARG 51 1HH2 ARG 51 -5.094 -3.945 -12.788 404 HH22 ARG 51 2HH2 ARG 51 -4.030 -5.237 -12.985 405 H GLY 52 H GLY 52 -6.964 -1.433 -7.657 406 HA2 GLY 52 2HA GLY 52 -7.268 -2.849 -5.226 407 HA3 GLY 52 1HA GLY 52 -8.433 -2.825 -6.545 408 H ASN 53 H ASN 53 -6.040 -3.874 -8.139 409 HA ASN 53 HA ASN 53 -6.689 -6.660 -7.723 410 HB2 ASN 53 2HB ASN 53 -4.870 -5.415 -9.811 411 HB3 ASN 53 1HB ASN 53 -5.427 -7.080 -9.798 412 HD21 ASN 53 1HD2 ASN 53 -8.128 -6.284 -8.924 413 HD22 ASN 53 2HD2 ASN 53 -8.890 -5.623 -10.304 414 H GLN 54 H GLN 54 -4.527 -4.558 -6.402 415 HA GLN 54 HA GLN 54 -2.444 -6.564 -6.025 416 HB2 GLN 54 2HB GLN 54 -2.288 -3.610 -6.478 417 HB3 GLN 54 1HB GLN 54 -0.931 -4.508 -5.863 418 HG2 GLN 54 2HG GLN 54 -0.999 -5.868 -7.974 419 HG3 GLN 54 1HG GLN 54 -2.300 -4.830 -8.542 420 HE21 GLN 54 1HE2 GLN 54 0.562 -3.751 -6.734 421 HE22 GLN 54 2HE2 GLN 54 1.223 -2.835 -8.008 422 H VAL 55 H VAL 55 -4.971 -5.496 -4.436 423 HA VAL 55 HA VAL 55 -3.474 -4.916 -1.963 424 HB VAL 55 HB VAL 55 -6.110 -3.613 -2.578 425 HG11 VAL 55 1HG1 VAL 55 -4.174 -3.110 -0.341 426 HG12 VAL 55 2HG1 VAL 55 -5.775 -3.834 -0.255 427 HG13 VAL 55 3HG1 VAL 55 -5.601 -2.132 -0.677 428 HG21 VAL 55 1HG2 VAL 55 -4.525 -2.617 -4.113 429 HG22 VAL 55 2HG2 VAL 55 -3.393 -2.323 -2.799 430 HG23 VAL 55 3HG2 VAL 55 -4.929 -1.454 -2.851 431 H ARG 56 H ARG 56 -4.103 -5.862 -0.255 432 HA ARG 56 HA ARG 56 -6.679 -7.123 -0.157 433 HB2 ARG 56 2HB ARG 56 -3.979 -8.273 0.503 434 HB3 ARG 56 1HB ARG 56 -5.511 -8.967 1.021 435 HG2 ARG 56 2HG ARG 56 -5.164 -8.376 -1.824 436 HG3 ARG 56 1HG ARG 56 -4.262 -9.741 -1.233 437 HD2 ARG 56 2HD ARG 56 -7.258 -9.285 -0.983 438 HD3 ARG 56 1HD ARG 56 -6.466 -10.347 -2.159 439 HE ARG 56 HE ARG 56 -5.626 -11.593 -0.160 440 HH11 ARG 56 1HH1 ARG 56 -8.785 -9.893 0.020 441 HH12 ARG 56 2HH1 ARG 56 -9.301 -10.876 1.323 442 HH21 ARG 56 1HH2 ARG 56 -6.533 -12.942 1.613 443 HH22 ARG 56 2HH2 ARG 56 -8.075 -12.547 2.167 444 H LEU 57 H LEU 57 -7.449 -6.832 1.827 445 HA LEU 57 HA LEU 57 -6.175 -4.882 3.528 446 HB2 LEU 57 2HB LEU 57 -8.176 -4.886 4.870 447 HB3 LEU 57 1HB LEU 57 -8.605 -4.828 3.184 448 HG LEU 57 HG LEU 57 -8.599 -7.348 4.733 449 HD11 LEU 57 1HD1 LEU 57 -10.875 -5.362 4.381 450 HD12 LEU 57 2HD1 LEU 57 -10.101 -5.813 5.901 451 HD13 LEU 57 3HD1 LEU 57 -11.086 -6.987 5.028 452 HD21 LEU 57 1HD2 LEU 57 -10.348 -8.026 3.043 453 HD22 LEU 57 2HD2 LEU 57 -8.752 -7.749 2.378 454 HD23 LEU 57 3HD2 LEU 57 -10.009 -6.521 2.185 455 H ILE 58 H ILE 58 -7.123 -5.881 5.957 456 HA ILE 58 HA ILE 58 -4.848 -7.432 6.761 457 HB ILE 58 HB ILE 58 -5.864 -7.489 9.031 458 HG12 ILE 58 2HG1 ILE 58 -7.900 -5.611 7.801 459 HG13 ILE 58 1HG1 ILE 58 -8.205 -7.235 8.404 460 HG21 ILE 58 1HG2 ILE 58 -4.171 -5.832 8.476 461 HG22 ILE 58 2HG2 ILE 58 -5.383 -5.081 9.508 462 HG23 ILE 58 3HG2 ILE 58 -5.391 -4.772 7.772 463 HD11 ILE 58 1HD1 ILE 58 -7.673 -6.496 10.665 464 HD12 ILE 58 2HD1 ILE 58 -8.976 -5.535 9.963 465 HD13 ILE 58 3HD1 ILE 58 -7.341 -4.874 10.060 466 H GLU 59 H GLU 59 -7.080 -8.278 5.315 467 HA GLU 59 HA GLU 59 -7.413 -11.019 6.301 468 HB2 GLU 59 2HB GLU 59 -9.581 -9.686 6.226 469 HB3 GLU 59 1HB GLU 59 -9.289 -9.354 4.538 470 HG2 GLU 59 2HG GLU 59 -9.708 -12.147 5.597 471 HG3 GLU 59 1HG GLU 59 -11.031 -11.107 5.091 Start of MODEL 10 1 H1 SER 1 1H SER 1 -11.179 1.186 -16.750 2 H2 SER 1 2H SER 1 -10.790 2.774 -16.406 3 H3 SER 1 3H SER 1 -10.800 2.242 -18.047 4 HA SER 1 HA SER 1 -12.761 3.529 -17.466 5 HB2 SER 1 2HB SER 1 -12.979 1.487 -18.998 6 HB3 SER 1 1HB SER 1 -13.436 0.553 -17.577 7 HG SER 1 HG SER 1 -15.306 1.294 -18.645 8 H ASN 2 H ASN 2 -13.810 4.280 -15.678 9 HA ASN 2 HA ASN 2 -13.657 2.571 -13.310 10 HB2 ASN 2 2HB ASN 2 -13.272 5.581 -13.469 11 HB3 ASN 2 1HB ASN 2 -13.303 4.638 -11.992 12 HD21 ASN 2 1HD2 ASN 2 -11.268 5.332 -11.392 13 HD22 ASN 2 2HD2 ASN 2 -9.821 4.799 -12.159 14 H ALA 3 H ALA 3 -15.597 1.972 -12.856 15 HA ALA 3 HA ALA 3 -17.779 3.858 -13.300 16 HB1 ALA 3 1HB ALA 3 -19.277 1.910 -13.065 17 HB2 ALA 3 2HB ALA 3 -17.881 0.881 -12.748 18 HB3 ALA 3 3HB ALA 3 -18.073 1.647 -14.326 19 H MET 4 H MET 4 -15.672 2.947 -11.031 20 HA MET 4 HA MET 4 -16.993 4.106 -8.854 21 HB2 MET 4 2HB MET 4 -18.082 1.912 -8.663 22 HB3 MET 4 1HB MET 4 -16.539 1.097 -8.839 23 HG2 MET 4 2HG MET 4 -17.340 1.077 -6.522 24 HG3 MET 4 1HG MET 4 -15.812 1.935 -6.685 25 HE1 MET 4 1HE MET 4 -17.620 2.113 -4.100 26 HE2 MET 4 2HE MET 4 -17.555 3.843 -3.761 27 HE3 MET 4 3HE MET 4 -16.104 2.995 -4.289 28 H GLU 5 H GLU 5 -15.438 4.601 -7.327 29 HA GLU 5 HA GLU 5 -12.698 4.190 -8.203 30 HB2 GLU 5 2HB GLU 5 -14.026 6.171 -6.374 31 HB3 GLU 5 1HB GLU 5 -12.284 5.949 -6.375 32 HG2 GLU 5 2HG GLU 5 -13.928 6.719 -8.773 33 HG3 GLU 5 1HG GLU 5 -13.014 7.838 -7.757 34 H LEU 6 H LEU 6 -11.232 4.238 -6.174 35 HA LEU 6 HA LEU 6 -12.025 2.002 -4.463 36 HB2 LEU 6 2HB LEU 6 -9.341 3.290 -4.956 37 HB3 LEU 6 1HB LEU 6 -9.615 1.990 -3.816 38 HG LEU 6 HG LEU 6 -10.317 0.581 -5.833 39 HD11 LEU 6 1HD1 LEU 6 -8.980 2.806 -7.359 40 HD12 LEU 6 2HD1 LEU 6 -10.682 2.359 -7.444 41 HD13 LEU 6 3HD1 LEU 6 -9.447 1.235 -8.013 42 HD21 LEU 6 1HD2 LEU 6 -8.007 0.065 -6.435 43 HD22 LEU 6 2HD2 LEU 6 -8.195 0.277 -4.694 44 HD23 LEU 6 3HD2 LEU 6 -7.476 1.560 -5.669 45 H ASP 7 H ASP 7 -13.211 2.660 -2.971 46 HA ASP 7 HA ASP 7 -12.973 5.192 -1.708 47 HB2 ASP 7 2HB ASP 7 -14.887 4.365 -0.367 48 HB3 ASP 7 1HB ASP 7 -15.159 4.230 -2.103 49 H LEU 8 H LEU 8 -10.936 3.223 -1.479 50 HA LEU 8 HA LEU 8 -10.579 2.268 1.182 51 HB2 LEU 8 2HB LEU 8 -8.720 3.067 -0.975 52 HB3 LEU 8 1HB LEU 8 -8.095 2.330 0.511 53 HG LEU 8 HG LEU 8 -9.875 1.088 -1.613 54 HD11 LEU 8 1HD1 LEU 8 -7.025 0.509 -0.814 55 HD12 LEU 8 2HD1 LEU 8 -7.551 1.312 -2.293 56 HD13 LEU 8 3HD1 LEU 8 -7.961 -0.381 -2.015 57 HD21 LEU 8 1HD2 LEU 8 -9.636 -1.004 -0.347 58 HD22 LEU 8 2HD2 LEU 8 -10.487 0.224 0.584 59 HD23 LEU 8 3HD2 LEU 8 -8.792 -0.130 0.932 60 H GLN 9 H GLN 9 -10.139 3.418 2.948 61 HA GLN 9 HA GLN 9 -10.045 6.265 2.561 62 HB2 GLN 9 2HB GLN 9 -10.833 4.645 4.944 63 HB3 GLN 9 1HB GLN 9 -10.662 6.383 5.005 64 HG2 GLN 9 2HG GLN 9 -12.610 4.845 3.292 65 HG3 GLN 9 1HG GLN 9 -12.991 5.816 4.716 66 HE21 GLN 9 1HE2 GLN 9 -12.232 5.841 1.386 67 HE22 GLN 9 2HE2 GLN 9 -12.471 7.537 1.109 68 HA PRO 10 HA PRO 10 -5.957 6.736 4.039 69 HB2 PRO 10 2HB PRO 10 -6.607 9.176 5.469 70 HB3 PRO 10 1HB PRO 10 -5.725 8.982 3.965 71 HG2 PRO 10 2HG PRO 10 -8.210 10.099 4.082 72 HG3 PRO 10 1HG PRO 10 -7.496 9.366 2.638 73 HD2 PRO 10 2HD PRO 10 -9.565 8.266 4.443 74 HD3 PRO 10 1HD PRO 10 -9.296 7.979 2.734 75 H GLY 11 H GLY 11 -4.970 5.877 5.695 76 HA2 GLY 11 2HA GLY 11 -4.539 5.768 8.067 77 HA3 GLY 11 1HA GLY 11 -6.271 5.945 8.333 78 H ASP 12 H ASP 12 -6.462 4.053 5.840 79 HA ASP 12 HA ASP 12 -6.958 1.688 7.298 80 HB2 ASP 12 2HB ASP 12 -7.993 2.439 5.047 81 HB3 ASP 12 1HB ASP 12 -6.489 1.867 4.361 82 H VAL 13 H VAL 13 -5.949 -0.290 7.069 83 HA VAL 13 HA VAL 13 -3.097 -0.169 6.520 84 HB VAL 13 HB VAL 13 -3.501 0.097 8.878 85 HG11 VAL 13 1HG1 VAL 13 -4.849 -2.578 8.877 86 HG12 VAL 13 2HG1 VAL 13 -5.566 -1.012 9.244 87 HG13 VAL 13 3HG1 VAL 13 -4.355 -1.704 10.328 88 HG21 VAL 13 1HG2 VAL 13 -2.006 -1.689 9.750 89 HG22 VAL 13 2HG2 VAL 13 -1.429 -0.960 8.251 90 HG23 VAL 13 3HG2 VAL 13 -2.205 -2.542 8.220 91 H VAL 14 H VAL 14 -2.960 -1.324 4.767 92 HA VAL 14 HA VAL 14 -4.251 -3.983 4.641 93 HB VAL 14 HB VAL 14 -4.458 -3.612 2.185 94 HG11 VAL 14 1HG1 VAL 14 -5.871 -1.526 3.848 95 HG12 VAL 14 2HG1 VAL 14 -6.367 -3.202 3.718 96 HG13 VAL 14 3HG1 VAL 14 -6.412 -2.159 2.294 97 HG21 VAL 14 1HG2 VAL 14 -3.710 -0.764 2.870 98 HG22 VAL 14 2HG2 VAL 14 -4.270 -1.325 1.296 99 HG23 VAL 14 3HG2 VAL 14 -2.728 -1.894 1.942 100 H LYS 15 H LYS 15 -3.275 -5.325 2.912 101 HA LYS 15 HA LYS 15 -0.361 -5.013 2.864 102 HB2 LYS 15 2HB LYS 15 -0.488 -7.467 2.142 103 HB3 LYS 15 1HB LYS 15 -0.774 -7.140 3.831 104 HG2 LYS 15 2HG LYS 15 -3.147 -7.293 3.485 105 HG3 LYS 15 1HG LYS 15 -2.919 -7.501 1.759 106 HD2 LYS 15 2HD LYS 15 -1.664 -9.565 2.251 107 HD3 LYS 15 1HD LYS 15 -2.059 -9.359 3.970 108 HE2 LYS 15 2HE LYS 15 -4.449 -9.377 3.386 109 HE3 LYS 15 1HE LYS 15 -4.023 -9.632 1.702 110 HZ1 LYS 15 1HZ LYS 15 -3.698 -11.495 3.950 111 HZ2 LYS 15 2HZ LYS 15 -2.924 -11.764 2.461 112 HZ3 LYS 15 3HZ LYS 15 -4.618 -11.674 2.546 113 H VAL 16 H VAL 16 0.548 -4.646 0.968 114 HA VAL 16 HA VAL 16 -1.099 -5.028 -1.394 115 HB VAL 16 HB VAL 16 -0.230 -2.972 -2.356 116 HG11 VAL 16 1HG1 VAL 16 -2.358 -2.892 -1.155 117 HG12 VAL 16 2HG1 VAL 16 -1.503 -1.351 -1.055 118 HG13 VAL 16 3HG1 VAL 16 -1.502 -2.455 0.322 119 HG21 VAL 16 1HG2 VAL 16 1.876 -2.779 -1.206 120 HG22 VAL 16 2HG2 VAL 16 1.048 -2.523 0.326 121 HG23 VAL 16 3HG2 VAL 16 0.935 -1.303 -0.948 122 H LEU 17 H LEU 17 -0.055 -5.789 -3.106 123 HA LEU 17 HA LEU 17 2.762 -6.277 -2.705 124 HB2 LEU 17 2HB LEU 17 1.496 -8.309 -3.165 125 HB3 LEU 17 1HB LEU 17 0.853 -7.659 -4.640 126 HG LEU 17 HG LEU 17 3.823 -8.170 -4.273 127 HD11 LEU 17 1HD1 LEU 17 1.729 -10.055 -5.367 128 HD12 LEU 17 2HD1 LEU 17 2.619 -10.262 -3.859 129 HD13 LEU 17 3HD1 LEU 17 3.471 -10.323 -5.401 130 HD21 LEU 17 1HD2 LEU 17 3.196 -6.770 -6.196 131 HD22 LEU 17 2HD2 LEU 17 2.098 -8.031 -6.757 132 HD23 LEU 17 3HD2 LEU 17 3.837 -8.327 -6.719 133 H GLU 18 H GLU 18 3.785 -4.638 -3.342 134 HA GLU 18 HA GLU 18 2.933 -2.870 -5.430 135 HB2 GLU 18 2HB GLU 18 4.368 -2.058 -3.616 136 HB3 GLU 18 1HB GLU 18 5.660 -3.131 -4.143 137 HG2 GLU 18 2HG GLU 18 5.440 -1.919 -6.402 138 HG3 GLU 18 1HG GLU 18 4.603 -0.677 -5.491 139 H SER 19 H SER 19 5.849 -4.771 -5.131 140 HA SER 19 HA SER 19 5.892 -5.236 -8.003 141 HB2 SER 19 2HB SER 19 8.029 -4.216 -6.157 142 HB3 SER 19 1HB SER 19 8.413 -4.837 -7.786 143 HG SER 19 HG SER 19 7.423 -2.432 -6.935 144 H ALA 20 H ALA 20 7.029 -7.156 -8.573 145 HA ALA 20 HA ALA 20 6.556 -9.353 -6.888 146 HB1 ALA 20 1HB ALA 20 8.312 -9.234 -9.337 147 HB2 ALA 20 2HB ALA 20 6.568 -9.494 -9.337 148 HB3 ALA 20 3HB ALA 20 7.636 -10.691 -8.607 149 H ALA 21 H ALA 21 9.240 -7.251 -7.076 150 HA ALA 21 HA ALA 21 11.098 -9.125 -5.872 151 HB1 ALA 21 1HB ALA 21 12.708 -7.292 -6.005 152 HB2 ALA 21 2HB ALA 21 11.425 -6.190 -6.505 153 HB3 ALA 21 3HB ALA 21 11.898 -7.527 -7.554 154 H LEU 22 H LEU 22 8.573 -7.501 -4.694 155 HA LEU 22 HA LEU 22 9.854 -7.088 -2.078 156 HB2 LEU 22 2HB LEU 22 7.632 -5.434 -3.283 157 HB3 LEU 22 1HB LEU 22 8.177 -5.307 -1.627 158 HG LEU 22 HG LEU 22 9.814 -4.637 -4.077 159 HD11 LEU 22 1HD1 LEU 22 8.556 -2.877 -1.979 160 HD12 LEU 22 2HD1 LEU 22 8.036 -3.033 -3.658 161 HD13 LEU 22 3HD1 LEU 22 9.611 -2.334 -3.284 162 HD21 LEU 22 1HD2 LEU 22 11.441 -3.733 -2.471 163 HD22 LEU 22 2HD2 LEU 22 11.228 -5.469 -2.270 164 HD23 LEU 22 3HD2 LEU 22 10.464 -4.349 -1.139 165 H GLY 23 H GLY 23 6.840 -7.780 -3.805 166 HA2 GLY 23 2HA GLY 23 5.335 -9.492 -3.291 167 HA3 GLY 23 1HA GLY 23 6.185 -9.739 -1.771 168 H TRP 24 H TRP 24 4.128 -9.787 -0.788 169 HA TRP 24 HA TRP 24 2.532 -7.411 -0.703 170 HB2 TRP 24 2HB TRP 24 2.409 -9.956 0.945 171 HB3 TRP 24 1HB TRP 24 1.228 -8.657 1.015 172 HD1 TRP 24 HD1 TRP 24 2.337 -11.590 -1.154 173 HE1 TRP 24 HE1 TRP 24 0.539 -11.992 -2.963 174 HE3 TRP 24 HE3 TRP 24 -0.569 -7.475 -0.326 175 HZ2 TRP 24 HZ2 TRP 24 -1.784 -10.715 -3.919 176 HZ3 TRP 24 HZ3 TRP 24 -2.515 -7.123 -1.731 177 HH2 TRP 24 HH2 TRP 24 -3.134 -8.713 -3.491 178 H VAL 25 H VAL 25 3.222 -5.739 0.401 179 HA VAL 25 HA VAL 25 4.556 -6.208 2.987 180 HB VAL 25 HB VAL 25 4.781 -3.561 1.565 181 HG11 VAL 25 1HG1 VAL 25 5.568 -3.645 3.813 182 HG12 VAL 25 2HG1 VAL 25 6.930 -3.411 2.718 183 HG13 VAL 25 3HG1 VAL 25 6.636 -4.996 3.430 184 HG21 VAL 25 1HG2 VAL 25 5.482 -5.140 -0.176 185 HG22 VAL 25 2HG2 VAL 25 6.604 -5.900 0.951 186 HG23 VAL 25 3HG2 VAL 25 6.870 -4.236 0.432 187 H ARG 26 H ARG 26 4.002 -4.360 4.511 188 HA ARG 26 HA ARG 26 1.132 -4.036 4.392 189 HB2 ARG 26 2HB ARG 26 2.356 -4.642 6.530 190 HB3 ARG 26 1HB ARG 26 2.996 -3.002 6.547 191 HG2 ARG 26 2HG ARG 26 0.731 -2.108 6.680 192 HG3 ARG 26 1HG ARG 26 0.073 -3.741 6.629 193 HD2 ARG 26 2HD ARG 26 0.054 -3.081 8.905 194 HD3 ARG 26 1HD ARG 26 1.393 -4.207 8.733 195 HE ARG 26 HE ARG 26 2.454 -1.681 8.367 196 HH11 ARG 26 1HH1 ARG 26 0.912 -3.492 10.985 197 HH12 ARG 26 2HH1 ARG 26 1.553 -2.532 12.246 198 HH21 ARG 26 1HH2 ARG 26 3.277 -0.336 10.020 199 HH22 ARG 26 2HH2 ARG 26 2.986 -0.637 11.670 200 H ALA 27 H ALA 27 0.084 -2.172 4.038 201 HA ALA 27 HA ALA 27 1.669 0.233 3.678 202 HB1 ALA 27 1HB ALA 27 0.549 0.768 1.617 203 HB2 ALA 27 2HB ALA 27 -0.359 -0.744 1.688 204 HB3 ALA 27 3HB ALA 27 1.392 -0.770 1.471 205 H ARG 28 H ARG 28 0.657 2.063 3.986 206 HA ARG 28 HA ARG 28 -1.930 1.949 5.410 207 HB2 ARG 28 2HB ARG 28 0.304 3.973 5.615 208 HB3 ARG 28 1HB ARG 28 -1.081 3.803 6.686 209 HG2 ARG 28 2HG ARG 28 -0.219 1.767 7.599 210 HG3 ARG 28 1HG ARG 28 1.060 1.706 6.389 211 HD2 ARG 28 2HD ARG 28 0.749 3.750 8.588 212 HD3 ARG 28 1HD ARG 28 1.943 2.457 8.518 213 HE ARG 28 HE ARG 28 1.858 4.582 6.489 214 HH11 ARG 28 1HH1 ARG 28 3.773 2.559 8.710 215 HH12 ARG 28 2HH1 ARG 28 5.190 3.445 8.549 216 HH21 ARG 28 1HH2 ARG 28 3.886 5.824 6.210 217 HH22 ARG 28 2HH2 ARG 28 5.264 5.340 7.076 218 H VAL 29 H VAL 29 -3.495 2.922 4.300 219 HA VAL 29 HA VAL 29 -3.010 4.445 1.865 220 HB VAL 29 HB VAL 29 -5.500 4.311 3.574 221 HG11 VAL 29 1HG1 VAL 29 -5.498 6.116 1.901 222 HG12 VAL 29 2HG1 VAL 29 -6.678 4.879 1.464 223 HG13 VAL 29 3HG1 VAL 29 -5.125 4.950 0.631 224 HG21 VAL 29 1HG2 VAL 29 -4.806 2.512 1.241 225 HG22 VAL 29 2HG2 VAL 29 -6.310 2.502 2.156 226 HG23 VAL 29 3HG2 VAL 29 -4.800 2.047 2.940 227 H ILE 30 H ILE 30 -2.278 6.333 1.767 228 HA ILE 30 HA ILE 30 -2.443 8.082 4.127 229 HB ILE 30 HB ILE 30 -1.059 8.649 1.497 230 HG12 ILE 30 2HG1 ILE 30 0.133 7.805 4.147 231 HG13 ILE 30 1HG1 ILE 30 0.122 6.857 2.660 232 HG21 ILE 30 1HG2 ILE 30 -0.960 10.139 4.130 233 HG22 ILE 30 2HG2 ILE 30 -1.753 10.692 2.656 234 HG23 ILE 30 3HG2 ILE 30 0.001 10.523 2.703 235 HD11 ILE 30 1HD1 ILE 30 2.297 7.936 3.102 236 HD12 ILE 30 2HD1 ILE 30 1.511 9.511 3.001 237 HD13 ILE 30 3HD1 ILE 30 1.571 8.465 1.583 238 H ARG 31 H ARG 31 -3.614 8.036 0.811 239 HA ARG 31 HA ARG 31 -5.565 9.827 1.732 240 HB2 ARG 31 2HB ARG 31 -4.502 11.567 1.246 241 HB3 ARG 31 1HB ARG 31 -3.218 10.557 1.184 242 HG2 ARG 31 2HG ARG 31 -3.150 10.119 -1.125 243 HG3 ARG 31 1HG ARG 31 -4.591 11.073 -1.416 244 HD2 ARG 31 2HD ARG 31 -2.550 12.154 -2.097 245 HD3 ARG 31 1HD ARG 31 -3.353 13.099 -0.838 246 HE ARG 31 HE ARG 31 -1.730 12.395 0.748 247 HH11 ARG 31 1HH1 ARG 31 -0.715 11.529 -2.577 248 HH12 ARG 31 2HH1 ARG 31 0.857 11.063 -2.076 249 HH21 ARG 31 1HH2 ARG 31 0.564 11.823 1.304 250 HH22 ARG 31 2HH2 ARG 31 1.545 11.223 0.046 251 H VAL 32 H VAL 32 -6.851 10.385 0.102 252 HA VAL 32 HA VAL 32 -7.097 8.468 -2.076 253 HB VAL 32 HB VAL 32 -9.415 9.313 -2.297 254 HG11 VAL 32 1HG1 VAL 32 -10.328 8.246 -0.264 255 HG12 VAL 32 2HG1 VAL 32 -8.721 8.301 0.460 256 HG13 VAL 32 3HG1 VAL 32 -9.010 7.310 -0.968 257 HG21 VAL 32 1HG2 VAL 32 -8.833 10.846 0.241 258 HG22 VAL 32 2HG2 VAL 32 -10.424 10.669 -0.498 259 HG23 VAL 32 3HG2 VAL 32 -9.150 11.544 -1.348 260 H LYS 33 H LYS 33 -6.656 9.021 -4.015 261 HA LYS 33 HA LYS 33 -6.176 11.810 -4.660 262 HB2 LYS 33 2HB LYS 33 -4.869 9.644 -5.027 263 HB3 LYS 33 1HB LYS 33 -5.847 9.478 -6.452 264 HG2 LYS 33 2HG LYS 33 -4.105 10.675 -7.310 265 HG3 LYS 33 1HG LYS 33 -5.173 11.995 -6.796 266 HD2 LYS 33 2HD LYS 33 -4.057 11.822 -4.570 267 HD3 LYS 33 1HD LYS 33 -2.940 10.739 -5.425 268 HE2 LYS 33 2HE LYS 33 -2.081 13.153 -5.338 269 HE3 LYS 33 1HE LYS 33 -2.291 12.525 -6.974 270 HZ1 LYS 33 1HZ LYS 33 -4.445 13.676 -7.090 271 HZ2 LYS 33 2HZ LYS 33 -3.216 14.778 -6.783 272 HZ3 LYS 33 3HZ LYS 33 -4.236 14.287 -5.536 273 H SER 34 H SER 34 -7.692 8.880 -5.673 274 HA SER 34 HA SER 34 -9.221 8.270 -6.779 275 HB2 SER 34 2HB SER 34 -10.330 11.092 -6.775 276 HB3 SER 34 1HB SER 34 -11.203 9.727 -7.477 277 HG SER 34 HG SER 34 -10.946 8.705 -5.388 278 H GLY 35 H GLY 35 -10.160 8.329 -9.083 279 HA2 GLY 35 2HA GLY 35 -9.844 8.731 -11.365 280 HA3 GLY 35 1HA GLY 35 -8.400 9.682 -10.983 281 H GLY 36 H GLY 36 -9.142 6.637 -9.524 282 HA2 GLY 36 2HA GLY 36 -8.244 4.519 -10.030 283 HA3 GLY 36 1HA GLY 36 -7.113 5.286 -11.138 284 H ARG 37 H ARG 37 -6.424 7.332 -9.123 285 HA ARG 37 HA ARG 37 -4.320 5.792 -7.865 286 HB2 ARG 37 2HB ARG 37 -3.596 7.610 -8.799 287 HB3 ARG 37 1HB ARG 37 -4.703 8.718 -7.947 288 HG2 ARG 37 2HG ARG 37 -3.485 8.529 -5.985 289 HG3 ARG 37 1HG ARG 37 -2.926 6.904 -6.360 290 HD2 ARG 37 2HD ARG 37 -1.565 7.693 -7.966 291 HD3 ARG 37 1HD ARG 37 -2.178 9.331 -7.782 292 HE ARG 37 HE ARG 37 -1.102 8.259 -5.334 293 HH11 ARG 37 1HH1 ARG 37 0.187 9.612 -8.340 294 HH12 ARG 37 2HH1 ARG 37 1.645 10.164 -7.651 295 HH21 ARG 37 1HH2 ARG 37 1.006 9.073 -4.322 296 HH22 ARG 37 2HH2 ARG 37 2.085 9.835 -5.292 297 H VAL 38 H VAL 38 -4.354 4.907 -6.146 298 HA VAL 38 HA VAL 38 -5.495 6.332 -3.912 299 HB VAL 38 HB VAL 38 -5.596 4.111 -2.704 300 HG11 VAL 38 1HG1 VAL 38 -7.594 5.292 -3.439 301 HG12 VAL 38 2HG1 VAL 38 -7.806 3.551 -3.593 302 HG13 VAL 38 3HG1 VAL 38 -7.472 4.530 -5.026 303 HG21 VAL 38 1HG2 VAL 38 -5.511 3.011 -5.507 304 HG22 VAL 38 2HG2 VAL 38 -5.908 2.086 -4.057 305 HG23 VAL 38 3HG2 VAL 38 -4.293 2.771 -4.257 306 H VAL 39 H VAL 39 -4.152 6.901 -2.462 307 HA VAL 39 HA VAL 39 -1.384 6.304 -3.001 308 HB VAL 39 HB VAL 39 -2.749 8.299 -1.233 309 HG11 VAL 39 1HG1 VAL 39 -0.599 7.648 -0.292 310 HG12 VAL 39 2HG1 VAL 39 -0.542 9.303 -0.904 311 HG13 VAL 39 3HG1 VAL 39 0.182 7.991 -1.834 312 HG21 VAL 39 1HG2 VAL 39 -1.974 9.955 -2.833 313 HG22 VAL 39 2HG2 VAL 39 -2.946 8.723 -3.653 314 HG23 VAL 39 3HG2 VAL 39 -1.180 8.691 -3.752 315 H VAL 40 H VAL 40 -0.300 4.917 -1.786 316 HA VAL 40 HA VAL 40 -1.115 4.589 0.958 317 HB VAL 40 HB VAL 40 -0.731 2.153 0.844 318 HG11 VAL 40 1HG1 VAL 40 -2.700 1.420 -0.401 319 HG12 VAL 40 2HG1 VAL 40 -2.779 3.002 -1.182 320 HG13 VAL 40 3HG1 VAL 40 -3.004 2.866 0.561 321 HG21 VAL 40 1HG2 VAL 40 0.855 2.076 -1.008 322 HG22 VAL 40 2HG2 VAL 40 -0.427 2.502 -2.140 323 HG23 VAL 40 3HG2 VAL 40 -0.482 0.959 -1.285 324 H GLN 41 H GLN 41 0.632 4.051 2.210 325 HA GLN 41 HA GLN 41 3.249 4.193 0.896 326 HB2 GLN 41 2HB GLN 41 2.615 6.301 1.985 327 HB3 GLN 41 1HB GLN 41 2.422 5.444 3.503 328 HG2 GLN 41 2HG GLN 41 4.858 4.806 3.276 329 HG3 GLN 41 1HG GLN 41 4.976 5.979 1.976 330 HE21 GLN 41 1HE2 GLN 41 6.277 7.407 2.980 331 HE22 GLN 41 2HE2 GLN 41 5.810 8.312 4.376 332 H SER 42 H SER 42 4.420 2.563 1.426 333 HA SER 42 HA SER 42 3.479 0.654 3.336 334 HB2 SER 42 2HB SER 42 4.796 0.072 1.221 335 HB3 SER 42 1HB SER 42 6.184 0.796 2.046 336 HG SER 42 HG SER 42 4.676 -1.296 3.145 337 H ASP 43 H ASP 43 4.998 -0.050 5.065 338 HA ASP 43 HA ASP 43 5.347 2.148 6.816 339 HB2 ASP 43 2HB ASP 43 6.064 -0.757 7.166 340 HB3 ASP 43 1HB ASP 43 6.345 0.450 8.419 341 H GLN 44 H GLN 44 7.368 0.809 4.590 342 HA GLN 44 HA GLN 44 9.875 1.649 5.713 343 HB2 GLN 44 2HB GLN 44 10.727 1.151 3.371 344 HB3 GLN 44 1HB GLN 44 9.978 -0.191 4.226 345 HG2 GLN 44 2HG GLN 44 7.938 0.091 2.969 346 HG3 GLN 44 1HG GLN 44 8.598 1.512 2.163 347 HE21 GLN 44 1HE2 GLN 44 7.580 -1.058 1.108 348 HE22 GLN 44 2HE2 GLN 44 8.874 -1.689 0.156 349 H GLY 45 H GLY 45 7.327 3.356 4.513 350 HA2 GLY 45 2HA GLY 45 7.279 5.714 4.416 351 HA3 GLY 45 1HA GLY 45 9.014 5.711 4.149 352 H ARG 46 H ARG 46 7.854 3.491 2.215 353 HA ARG 46 HA ARG 46 8.208 5.089 -0.153 354 HB2 ARG 46 2HB ARG 46 9.223 2.888 0.122 355 HB3 ARG 46 1HB ARG 46 7.644 2.165 0.299 356 HG2 ARG 46 2HG ARG 46 7.169 2.495 -2.021 357 HG3 ARG 46 1HG ARG 46 8.633 3.477 -2.227 358 HD2 ARG 46 2HD ARG 46 10.039 1.600 -1.669 359 HD3 ARG 46 1HD ARG 46 8.642 0.618 -1.272 360 HE ARG 46 HE ARG 46 8.067 0.618 -3.615 361 HH11 ARG 46 1HH1 ARG 46 11.376 1.650 -2.891 362 HH12 ARG 46 2HH1 ARG 46 12.051 1.000 -4.323 363 HH21 ARG 46 1HH2 ARG 46 8.949 -0.321 -5.465 364 HH22 ARG 46 2HH2 ARG 46 10.588 -0.168 -5.900 365 H GLU 47 H GLU 47 6.496 6.381 -0.628 366 HA GLU 47 HA GLU 47 3.708 5.485 -0.501 367 HB2 GLU 47 2HB GLU 47 4.340 7.857 0.074 368 HB3 GLU 47 1HB GLU 47 4.892 8.075 -1.584 369 HG2 GLU 47 2HG GLU 47 2.583 7.458 -2.337 370 HG3 GLU 47 1HG GLU 47 2.090 7.496 -0.656 371 H PHE 48 H PHE 48 2.575 4.867 -2.240 372 HA PHE 48 HA PHE 48 3.415 5.518 -4.869 373 HB2 PHE 48 2HB PHE 48 3.565 3.158 -5.695 374 HB3 PHE 48 1HB PHE 48 4.874 3.616 -4.624 375 HD1 PHE 48 HD1 PHE 48 5.022 2.657 -2.378 376 HD2 PHE 48 HD2 PHE 48 1.990 1.452 -5.106 377 HE1 PHE 48 HE1 PHE 48 4.612 0.650 -1.025 378 HE2 PHE 48 HE2 PHE 48 1.567 -0.553 -3.752 379 HZ PHE 48 HZ PHE 48 2.884 -0.957 -1.715 380 H THR 49 H THR 49 1.928 3.983 -6.395 381 HA THR 49 HA THR 49 -0.773 4.601 -5.469 382 HB THR 49 HB THR 49 0.197 4.006 -8.266 383 HG1 THR 49 HG1 THR 49 1.062 5.916 -7.968 384 HG21 THR 49 1HG2 THR 49 -1.954 5.051 -8.933 385 HG22 THR 49 2HG2 THR 49 -2.387 5.175 -7.222 386 HG23 THR 49 3HG2 THR 49 -2.175 3.595 -7.965 387 H ALA 50 H ALA 50 -1.854 2.916 -4.795 388 HA ALA 50 HA ALA 50 -1.086 0.232 -5.710 389 HB1 ALA 50 1HB ALA 50 -2.567 -0.585 -3.941 390 HB2 ALA 50 2HB ALA 50 -3.056 1.069 -3.571 391 HB3 ALA 50 3HB ALA 50 -1.390 0.557 -3.297 392 H ARG 51 H ARG 51 -2.995 -1.260 -6.136 393 HA ARG 51 HA ARG 51 -5.274 0.060 -7.397 394 HB2 ARG 51 2HB ARG 51 -3.537 -2.048 -8.720 395 HB3 ARG 51 1HB ARG 51 -5.111 -1.556 -9.311 396 HG2 ARG 51 2HG ARG 51 -4.260 0.682 -9.761 397 HG3 ARG 51 1HG ARG 51 -2.689 0.229 -9.093 398 HD2 ARG 51 2HD ARG 51 -4.017 -1.034 -11.492 399 HD3 ARG 51 1HD ARG 51 -2.680 0.119 -11.547 400 HE ARG 51 HE ARG 51 -1.639 -1.731 -9.996 401 HH11 ARG 51 1HH1 ARG 51 -3.437 -2.207 -13.007 402 HH12 ARG 51 2HH1 ARG 51 -2.626 -3.631 -13.455 403 HH21 ARG 51 1HH2 ARG 51 -0.511 -3.637 -10.570 404 HH22 ARG 51 2HH2 ARG 51 -0.863 -4.494 -12.000 405 H GLY 52 H GLY 52 -7.060 -1.528 -7.669 406 HA2 GLY 52 2HA GLY 52 -7.389 -3.058 -5.297 407 HA3 GLY 52 1HA GLY 52 -8.499 -3.024 -6.655 408 H ASN 53 H ASN 53 -5.602 -3.935 -7.847 409 HA ASN 53 HA ASN 53 -6.280 -6.788 -7.687 410 HB2 ASN 53 2HB ASN 53 -4.360 -5.343 -9.534 411 HB3 ASN 53 1HB ASN 53 -4.737 -7.057 -9.602 412 HD21 ASN 53 1HD2 ASN 53 -7.585 -6.592 -9.049 413 HD22 ASN 53 2HD2 ASN 53 -8.229 -5.974 -10.530 414 H GLN 54 H GLN 54 -4.338 -4.499 -6.291 415 HA GLN 54 HA GLN 54 -2.147 -6.355 -5.709 416 HB2 GLN 54 2HB GLN 54 -2.245 -3.378 -6.044 417 HB3 GLN 54 1HB GLN 54 -0.893 -4.218 -5.311 418 HG2 GLN 54 2HG GLN 54 -0.430 -5.361 -7.367 419 HG3 GLN 54 1HG GLN 54 -1.901 -4.716 -8.098 420 HE21 GLN 54 1HE2 GLN 54 1.265 -3.906 -6.916 421 HE22 GLN 54 2HE2 GLN 54 1.441 -2.437 -7.784 422 H VAL 55 H VAL 55 -4.909 -5.333 -4.373 423 HA VAL 55 HA VAL 55 -3.669 -4.808 -1.752 424 HB VAL 55 HB VAL 55 -6.222 -3.454 -2.617 425 HG11 VAL 55 1HG1 VAL 55 -6.045 -3.702 -0.269 426 HG12 VAL 55 2HG1 VAL 55 -5.874 -1.997 -0.690 427 HG13 VAL 55 3HG1 VAL 55 -4.452 -2.947 -0.262 428 HG21 VAL 55 1HG2 VAL 55 -4.482 -2.498 -4.020 429 HG22 VAL 55 2HG2 VAL 55 -3.485 -2.168 -2.607 430 HG23 VAL 55 3HG2 VAL 55 -5.016 -1.321 -2.826 431 H ARG 56 H ARG 56 -4.369 -5.843 -0.202 432 HA ARG 56 HA ARG 56 -6.962 -7.079 -0.345 433 HB2 ARG 56 2HB ARG 56 -4.351 -8.216 0.484 434 HB3 ARG 56 1HB ARG 56 -5.906 -9.008 0.747 435 HG2 ARG 56 2HG ARG 56 -4.913 -8.162 -1.905 436 HG3 ARG 56 1HG ARG 56 -4.464 -9.722 -1.308 437 HD2 ARG 56 2HD ARG 56 -7.225 -8.619 -1.925 438 HD3 ARG 56 1HD ARG 56 -6.377 -9.881 -2.806 439 HE ARG 56 HE ARG 56 -6.718 -10.868 -0.231 440 HH11 ARG 56 1HH1 ARG 56 -8.799 -9.726 -2.842 441 HH12 ARG 56 2HH1 ARG 56 -10.111 -10.751 -2.461 442 HH21 ARG 56 1HH2 ARG 56 -8.482 -12.274 0.317 443 HH22 ARG 56 2HH2 ARG 56 -9.915 -12.272 -0.573 444 H LEU 57 H LEU 57 -7.915 -6.759 1.552 445 HA LEU 57 HA LEU 57 -6.743 -5.107 3.563 446 HB2 LEU 57 2HB LEU 57 -8.813 -5.248 4.741 447 HB3 LEU 57 1HB LEU 57 -9.177 -5.083 3.038 448 HG LEU 57 HG LEU 57 -9.142 -7.701 4.437 449 HD11 LEU 57 1HD1 LEU 57 -11.500 -5.830 4.009 450 HD12 LEU 57 2HD1 LEU 57 -10.791 -6.265 5.565 451 HD13 LEU 57 3HD1 LEU 57 -11.642 -7.480 4.611 452 HD21 LEU 57 1HD2 LEU 57 -10.706 -8.389 2.603 453 HD22 LEU 57 2HD2 LEU 57 -9.104 -7.937 2.043 454 HD23 LEU 57 3HD2 LEU 57 -10.451 -6.808 1.859 455 H ILE 58 H ILE 58 -7.249 -5.924 5.946 456 HA ILE 58 HA ILE 58 -5.404 -7.739 6.744 457 HB ILE 58 HB ILE 58 -6.711 -7.928 8.899 458 HG12 ILE 58 2HG1 ILE 58 -8.595 -5.981 7.516 459 HG13 ILE 58 1HG1 ILE 58 -8.986 -7.644 7.926 460 HG21 ILE 58 1HG2 ILE 58 -5.002 -6.243 8.603 461 HG22 ILE 58 2HG2 ILE 58 -6.343 -5.579 9.535 462 HG23 ILE 58 3HG2 ILE 58 -6.163 -5.162 7.832 463 HD11 ILE 58 1HD1 ILE 58 -8.362 -5.438 9.882 464 HD12 ILE 58 2HD1 ILE 58 -8.759 -7.104 10.303 465 HD13 ILE 58 3HD1 ILE 58 -9.961 -6.086 9.514 466 H GLU 59 H GLU 59 -5.176 -9.611 6.195 467 HA GLU 59 HA GLU 59 -7.110 -11.714 6.393 468 HB2 GLU 59 2HB GLU 59 -7.652 -10.855 4.199 469 HB3 GLU 59 1HB GLU 59 -5.967 -10.654 3.793 470 HG2 GLU 59 2HG GLU 59 -5.765 -13.155 3.822 471 HG3 GLU 59 1HG GLU 59 -7.525 -13.219 3.987 Start of MODEL 11 1 H1 SER 1 1H SER 1 -18.912 7.586 -0.243 2 H2 SER 1 2H SER 1 -18.532 6.038 -0.754 3 H3 SER 1 3H SER 1 -18.193 6.471 0.863 4 HA SER 1 HA SER 1 -20.605 6.739 1.165 5 HB2 SER 1 2HB SER 1 -20.777 5.412 -1.534 6 HB3 SER 1 1HB SER 1 -22.071 6.185 -0.608 7 HG SER 1 HG SER 1 -20.258 7.256 -2.329 8 H ASN 2 H ASN 2 -18.603 4.285 -0.462 9 HA ASN 2 HA ASN 2 -17.856 2.363 0.165 10 HB2 ASN 2 2HB ASN 2 -19.496 2.599 2.706 11 HB3 ASN 2 1HB ASN 2 -18.392 1.274 2.356 12 HD21 ASN 2 1HD2 ASN 2 -16.133 1.752 2.193 13 HD22 ASN 2 2HD2 ASN 2 -15.462 3.120 2.972 14 H ALA 3 H ALA 3 -18.502 1.323 -1.460 15 HA ALA 3 HA ALA 3 -20.591 -0.588 -1.223 16 HB1 ALA 3 1HB ALA 3 -21.256 1.710 -3.062 17 HB2 ALA 3 2HB ALA 3 -22.041 1.387 -1.517 18 HB3 ALA 3 3HB ALA 3 -22.203 0.237 -2.845 19 H MET 4 H MET 4 -18.932 1.354 -3.576 20 HA MET 4 HA MET 4 -17.757 -0.904 -4.934 21 HB2 MET 4 2HB MET 4 -20.200 -0.914 -5.705 22 HB3 MET 4 1HB MET 4 -19.898 0.647 -6.432 23 HG2 MET 4 2HG MET 4 -19.817 -1.070 -8.123 24 HG3 MET 4 1HG MET 4 -18.217 -0.369 -7.911 25 HE1 MET 4 1HE MET 4 -19.960 -3.009 -5.514 26 HE2 MET 4 2HE MET 4 -19.437 -4.518 -6.260 27 HE3 MET 4 3HE MET 4 -20.534 -3.443 -7.123 28 H GLU 5 H GLU 5 -16.988 1.643 -3.705 29 HA GLU 5 HA GLU 5 -16.124 3.236 -6.021 30 HB2 GLU 5 2HB GLU 5 -16.306 3.997 -3.104 31 HB3 GLU 5 1HB GLU 5 -16.015 5.062 -4.463 32 HG2 GLU 5 2HG GLU 5 -18.272 4.952 -5.150 33 HG3 GLU 5 1HG GLU 5 -18.595 3.569 -4.098 34 H LEU 6 H LEU 6 -14.001 4.436 -5.026 35 HA LEU 6 HA LEU 6 -12.431 2.382 -3.694 36 HB2 LEU 6 2HB LEU 6 -11.495 5.070 -4.709 37 HB3 LEU 6 1HB LEU 6 -10.561 3.783 -3.954 38 HG LEU 6 HG LEU 6 -11.978 3.463 -6.592 39 HD11 LEU 6 1HD1 LEU 6 -10.189 5.129 -6.805 40 HD12 LEU 6 2HD1 LEU 6 -9.773 3.637 -7.648 41 HD13 LEU 6 3HD1 LEU 6 -9.050 3.992 -6.079 42 HD21 LEU 6 1HD2 LEU 6 -11.615 1.372 -5.412 43 HD22 LEU 6 2HD2 LEU 6 -9.910 1.763 -5.198 44 HD23 LEU 6 3HD2 LEU 6 -10.549 1.468 -6.814 45 H ASP 7 H ASP 7 -13.794 2.580 -2.041 46 HA ASP 7 HA ASP 7 -13.975 5.089 -0.674 47 HB2 ASP 7 2HB ASP 7 -15.791 3.869 0.626 48 HB3 ASP 7 1HB ASP 7 -16.136 4.314 -1.038 49 H LEU 8 H LEU 8 -11.727 3.417 -0.553 50 HA LEU 8 HA LEU 8 -11.501 2.736 2.279 51 HB2 LEU 8 2HB LEU 8 -9.433 2.764 0.066 52 HB3 LEU 8 1HB LEU 8 -9.097 2.266 1.715 53 HG LEU 8 HG LEU 8 -10.943 0.873 -0.232 54 HD11 LEU 8 1HD1 LEU 8 -9.272 -0.911 -0.173 55 HD12 LEU 8 2HD1 LEU 8 -8.249 0.084 0.863 56 HD13 LEU 8 3HD1 LEU 8 -8.594 0.596 -0.789 57 HD21 LEU 8 1HD2 LEU 8 -10.153 0.129 2.589 58 HD22 LEU 8 2HD2 LEU 8 -11.069 -0.891 1.484 59 HD23 LEU 8 3HD2 LEU 8 -11.760 0.626 2.055 60 H GLN 9 H GLN 9 -10.033 3.962 3.703 61 HA GLN 9 HA GLN 9 -9.896 6.704 2.738 62 HB2 GLN 9 2HB GLN 9 -10.800 5.664 5.407 63 HB3 GLN 9 1HB GLN 9 -10.391 7.345 5.134 64 HG2 GLN 9 2HG GLN 9 -12.529 5.838 3.642 65 HG3 GLN 9 1HG GLN 9 -12.817 6.923 5.002 66 HE21 GLN 9 1HE2 GLN 9 -11.836 6.721 1.658 67 HE22 GLN 9 2HE2 GLN 9 -12.052 8.400 1.308 68 HA PRO 10 HA PRO 10 -5.707 7.002 4.125 69 HB2 PRO 10 2HB PRO 10 -6.397 9.380 5.648 70 HB3 PRO 10 1HB PRO 10 -5.231 9.172 4.324 71 HG2 PRO 10 2HG PRO 10 -7.507 10.492 3.863 72 HG3 PRO 10 1HG PRO 10 -6.805 9.401 2.650 73 HD2 PRO 10 2HD PRO 10 -9.102 8.915 4.479 74 HD3 PRO 10 1HD PRO 10 -8.885 8.424 2.803 75 H GLY 11 H GLY 11 -6.347 5.301 5.497 76 HA2 GLY 11 2HA GLY 11 -5.334 5.471 8.142 77 HA3 GLY 11 1HA GLY 11 -7.092 5.441 8.207 78 H ASP 12 H ASP 12 -7.009 3.765 5.644 79 HA ASP 12 HA ASP 12 -7.320 1.316 7.000 80 HB2 ASP 12 2HB ASP 12 -7.424 2.136 4.122 81 HB3 ASP 12 1HB ASP 12 -7.617 0.462 4.574 82 H VAL 13 H VAL 13 -5.919 -0.174 7.431 83 HA VAL 13 HA VAL 13 -3.324 -0.132 6.093 84 HB VAL 13 HB VAL 13 -3.181 0.015 8.540 85 HG11 VAL 13 1HG1 VAL 13 -4.596 -2.637 8.638 86 HG12 VAL 13 2HG1 VAL 13 -5.219 -1.084 9.200 87 HG13 VAL 13 3HG1 VAL 13 -3.843 -1.829 10.014 88 HG21 VAL 13 1HG2 VAL 13 -1.354 -1.115 7.411 89 HG22 VAL 13 2HG2 VAL 13 -2.209 -2.653 7.519 90 HG23 VAL 13 3HG2 VAL 13 -1.637 -1.857 8.986 91 H VAL 14 H VAL 14 -2.762 -1.654 4.713 92 HA VAL 14 HA VAL 14 -4.208 -4.201 4.492 93 HB VAL 14 HB VAL 14 -4.684 -3.762 2.080 94 HG11 VAL 14 1HG1 VAL 14 -6.639 -2.315 2.330 95 HG12 VAL 14 2HG1 VAL 14 -6.023 -1.741 3.879 96 HG13 VAL 14 3HG1 VAL 14 -6.510 -3.423 3.698 97 HG21 VAL 14 1HG2 VAL 14 -4.648 -1.446 1.224 98 HG22 VAL 14 2HG2 VAL 14 -3.043 -2.020 1.675 99 HG23 VAL 14 3HG2 VAL 14 -3.914 -0.919 2.738 100 H LYS 15 H LYS 15 -3.291 -5.481 2.738 101 HA LYS 15 HA LYS 15 -0.407 -5.065 2.685 102 HB2 LYS 15 2HB LYS 15 -1.746 -7.422 1.457 103 HB3 LYS 15 1HB LYS 15 -0.183 -7.275 2.216 104 HG2 LYS 15 2HG LYS 15 -1.386 -7.014 4.425 105 HG3 LYS 15 1HG LYS 15 -2.824 -7.413 3.543 106 HD2 LYS 15 2HD LYS 15 -1.933 -9.499 2.745 107 HD3 LYS 15 1HD LYS 15 -0.421 -9.198 3.591 108 HE2 LYS 15 2HE LYS 15 -3.054 -9.266 4.974 109 HE3 LYS 15 1HE LYS 15 -2.059 -10.730 4.797 110 HZ1 LYS 15 1HZ LYS 15 -1.364 -8.204 6.243 111 HZ2 LYS 15 2HZ LYS 15 -0.287 -9.475 6.049 112 HZ3 LYS 15 3HZ LYS 15 -1.692 -9.700 6.941 113 H VAL 16 H VAL 16 0.489 -4.402 0.890 114 HA VAL 16 HA VAL 16 -1.058 -4.550 -1.572 115 HB VAL 16 HB VAL 16 0.770 -2.266 -0.825 116 HG11 VAL 16 1HG1 VAL 16 -1.182 -2.582 -3.095 117 HG12 VAL 16 2HG1 VAL 16 0.575 -2.612 -3.209 118 HG13 VAL 16 3HG1 VAL 16 -0.257 -1.123 -2.748 119 HG21 VAL 16 1HG2 VAL 16 -1.270 -0.876 -0.542 120 HG22 VAL 16 2HG2 VAL 16 -1.132 -2.166 0.648 121 HG23 VAL 16 3HG2 VAL 16 -2.245 -2.341 -0.703 122 H LEU 17 H LEU 17 0.017 -5.557 -3.051 123 HA LEU 17 HA LEU 17 2.854 -6.073 -2.632 124 HB2 LEU 17 2HB LEU 17 1.453 -8.005 -3.221 125 HB3 LEU 17 1HB LEU 17 0.924 -7.247 -4.686 126 HG LEU 17 HG LEU 17 3.829 -8.007 -4.239 127 HD11 LEU 17 1HD1 LEU 17 2.444 -10.003 -3.934 128 HD12 LEU 17 2HD1 LEU 17 3.341 -10.078 -5.451 129 HD13 LEU 17 3HD1 LEU 17 1.625 -9.671 -5.459 130 HD21 LEU 17 1HD2 LEU 17 3.357 -6.485 -6.124 131 HD22 LEU 17 2HD2 LEU 17 2.187 -7.644 -6.757 132 HD23 LEU 17 3HD2 LEU 17 3.897 -8.069 -6.685 133 H GLU 18 H GLU 18 3.965 -4.437 -3.103 134 HA GLU 18 HA GLU 18 3.321 -2.585 -5.208 135 HB2 GLU 18 2HB GLU 18 4.649 -1.921 -3.185 136 HB3 GLU 18 1HB GLU 18 5.991 -2.876 -3.804 137 HG2 GLU 18 2HG GLU 18 5.892 -1.454 -5.886 138 HG3 GLU 18 1HG GLU 18 4.785 -0.400 -5.017 139 H SER 19 H SER 19 6.015 -4.790 -4.725 140 HA SER 19 HA SER 19 6.307 -5.035 -7.630 141 HB2 SER 19 2HB SER 19 8.116 -3.679 -6.514 142 HB3 SER 19 1HB SER 19 8.448 -5.102 -5.547 143 HG SER 19 HG SER 19 9.267 -4.545 -8.034 144 H ALA 20 H ALA 20 7.022 -7.112 -8.294 145 HA ALA 20 HA ALA 20 6.016 -9.285 -6.760 146 HB1 ALA 20 1HB ALA 20 6.872 -10.695 -8.574 147 HB2 ALA 20 2HB ALA 20 7.765 -9.322 -9.226 148 HB3 ALA 20 3HB ALA 20 6.002 -9.301 -9.216 149 H ALA 21 H ALA 21 9.033 -7.679 -6.960 150 HA ALA 21 HA ALA 21 10.562 -9.849 -5.818 151 HB1 ALA 21 1HB ALA 21 12.428 -8.272 -5.846 152 HB2 ALA 21 2HB ALA 21 11.330 -6.967 -6.295 153 HB3 ALA 21 3HB ALA 21 11.613 -8.304 -7.410 154 H LEU 22 H LEU 22 8.629 -7.258 -4.700 155 HA LEU 22 HA LEU 22 9.852 -7.328 -2.033 156 HB2 LEU 22 2HB LEU 22 7.669 -5.586 -3.151 157 HB3 LEU 22 1HB LEU 22 8.292 -5.482 -1.520 158 HG LEU 22 HG LEU 22 9.895 -4.944 -4.019 159 HD11 LEU 22 1HD1 LEU 22 8.172 -3.283 -3.671 160 HD12 LEU 22 2HD1 LEU 22 9.761 -2.610 -3.307 161 HD13 LEU 22 3HD1 LEU 22 8.679 -3.080 -1.996 162 HD21 LEU 22 1HD2 LEU 22 11.553 -4.029 -2.453 163 HD22 LEU 22 2HD2 LEU 22 11.284 -5.747 -2.180 164 HD23 LEU 22 3HD2 LEU 22 10.559 -4.560 -1.096 165 H GLY 23 H GLY 23 6.868 -8.037 -3.731 166 HA2 GLY 23 2HA GLY 23 5.290 -9.621 -3.170 167 HA3 GLY 23 1HA GLY 23 6.098 -9.842 -1.622 168 H TRP 24 H TRP 24 3.928 -9.807 -0.857 169 HA TRP 24 HA TRP 24 2.423 -7.407 -0.821 170 HB2 TRP 24 2HB TRP 24 2.249 -9.889 0.911 171 HB3 TRP 24 1HB TRP 24 1.055 -8.595 0.881 172 HD1 TRP 24 HD1 TRP 24 2.207 -11.639 -1.082 173 HE1 TRP 24 HE1 TRP 24 0.548 -12.041 -3.021 174 HE3 TRP 24 HE3 TRP 24 -0.517 -7.392 -0.660 175 HZ2 TRP 24 HZ2 TRP 24 -1.624 -10.691 -4.224 176 HZ3 TRP 24 HZ3 TRP 24 -2.334 -6.976 -2.217 177 HH2 TRP 24 HH2 TRP 24 -2.900 -8.603 -3.981 178 H VAL 25 H VAL 25 3.030 -5.691 0.231 179 HA VAL 25 HA VAL 25 4.399 -6.030 2.788 180 HB VAL 25 HB VAL 25 5.435 -3.803 2.441 181 HG11 VAL 25 1HG1 VAL 25 7.041 -4.416 0.685 182 HG12 VAL 25 2HG1 VAL 25 5.967 -5.721 0.177 183 HG13 VAL 25 3HG1 VAL 25 6.702 -5.757 1.779 184 HG21 VAL 25 1HG2 VAL 25 3.766 -2.794 0.965 185 HG22 VAL 25 2HG2 VAL 25 4.212 -3.915 -0.321 186 HG23 VAL 25 3HG2 VAL 25 5.370 -2.708 0.237 187 H ARG 26 H ARG 26 3.658 -4.630 4.566 188 HA ARG 26 HA ARG 26 0.957 -4.079 4.205 189 HB2 ARG 26 2HB ARG 26 1.040 -3.493 6.548 190 HB3 ARG 26 1HB ARG 26 1.509 -5.152 6.254 191 HG2 ARG 26 2HG ARG 26 3.434 -2.886 6.857 192 HG3 ARG 26 1HG ARG 26 2.719 -3.900 8.100 193 HD2 ARG 26 2HD ARG 26 4.699 -5.008 7.817 194 HD3 ARG 26 1HD ARG 26 3.748 -5.829 6.588 195 HE ARG 26 HE ARG 26 5.355 -3.505 5.773 196 HH11 ARG 26 1HH1 ARG 26 4.904 -7.016 5.572 197 HH12 ARG 26 2HH1 ARG 26 6.209 -7.247 4.502 198 HH21 ARG 26 1HH2 ARG 26 7.062 -3.786 4.454 199 HH22 ARG 26 2HH2 ARG 26 7.560 -5.297 3.817 200 H ALA 27 H ALA 27 0.067 -2.244 3.925 201 HA ALA 27 HA ALA 27 1.668 0.172 4.149 202 HB1 ALA 27 1HB ALA 27 0.026 -0.584 1.735 203 HB2 ALA 27 2HB ALA 27 1.784 -0.590 1.811 204 HB3 ALA 27 3HB ALA 27 0.903 0.928 1.976 205 H ARG 28 H ARG 28 0.339 2.027 4.148 206 HA ARG 28 HA ARG 28 -2.424 1.494 5.026 207 HB2 ARG 28 2HB ARG 28 -1.148 2.239 6.959 208 HB3 ARG 28 1HB ARG 28 -0.443 3.558 6.031 209 HG2 ARG 28 2HG ARG 28 -2.722 4.516 5.770 210 HG3 ARG 28 1HG ARG 28 -3.332 3.256 6.834 211 HD2 ARG 28 2HD ARG 28 -2.109 4.104 8.678 212 HD3 ARG 28 1HD ARG 28 -1.151 5.167 7.642 213 HE ARG 28 HE ARG 28 -3.748 5.877 7.223 214 HH11 ARG 28 1HH1 ARG 28 -1.625 5.818 10.044 215 HH12 ARG 28 2HH1 ARG 28 -2.353 7.132 10.844 216 HH21 ARG 28 1HH2 ARG 28 -4.806 7.708 8.297 217 HH22 ARG 28 2HH2 ARG 28 -4.243 8.254 9.792 218 H VAL 29 H VAL 29 -3.912 2.531 3.966 219 HA VAL 29 HA VAL 29 -3.325 4.191 1.731 220 HB VAL 29 HB VAL 29 -5.877 4.101 3.371 221 HG11 VAL 29 1HG1 VAL 29 -5.748 6.010 1.845 222 HG12 VAL 29 2HG1 VAL 29 -6.973 4.867 1.295 223 HG13 VAL 29 3HG1 VAL 29 -5.402 4.926 0.497 224 HG21 VAL 29 1HG2 VAL 29 -5.315 1.844 2.624 225 HG22 VAL 29 2HG2 VAL 29 -5.157 2.420 0.964 226 HG23 VAL 29 3HG2 VAL 29 -6.727 2.451 1.762 227 H ILE 30 H ILE 30 -2.434 6.016 1.899 228 HA ILE 30 HA ILE 30 -2.561 7.393 4.450 229 HB ILE 30 HB ILE 30 -0.686 7.696 2.125 230 HG12 ILE 30 2HG1 ILE 30 -0.229 5.764 3.521 231 HG13 ILE 30 1HG1 ILE 30 1.030 6.981 3.699 232 HG21 ILE 30 1HG2 ILE 30 -1.000 9.929 3.029 233 HG22 ILE 30 2HG2 ILE 30 0.610 9.339 3.438 234 HG23 ILE 30 3HG2 ILE 30 -0.662 9.344 4.659 235 HD11 ILE 30 1HD1 ILE 30 0.499 5.975 5.831 236 HD12 ILE 30 2HD1 ILE 30 -1.190 6.434 5.657 237 HD13 ILE 30 3HD1 ILE 30 0.049 7.681 5.826 238 H ARG 31 H ARG 31 -3.345 7.825 0.994 239 HA ARG 31 HA ARG 31 -4.772 10.079 1.674 240 HB2 ARG 31 2HB ARG 31 -2.733 11.109 1.495 241 HB3 ARG 31 1HB ARG 31 -2.260 9.786 0.456 242 HG2 ARG 31 2HG ARG 31 -2.883 10.636 -1.400 243 HG3 ARG 31 1HG ARG 31 -4.216 11.500 -0.656 244 HD2 ARG 31 2HD ARG 31 -2.365 12.929 -1.585 245 HD3 ARG 31 1HD ARG 31 -2.614 13.213 0.154 246 HE ARG 31 HE ARG 31 -0.521 11.318 -0.776 247 HH11 ARG 31 1HH1 ARG 31 -1.303 14.276 1.046 248 HH12 ARG 31 2HH1 ARG 31 0.265 14.436 1.679 249 HH21 ARG 31 1HH2 ARG 31 1.569 11.557 0.027 250 HH22 ARG 31 2HH2 ARG 31 1.991 12.813 1.094 251 H VAL 32 H VAL 32 -6.033 10.455 0.102 252 HA VAL 32 HA VAL 32 -6.203 8.553 -2.135 253 HB VAL 32 HB VAL 32 -8.526 10.167 -1.007 254 HG11 VAL 32 1HG1 VAL 32 -8.794 9.677 -3.380 255 HG12 VAL 32 2HG1 VAL 32 -9.945 8.749 -2.418 256 HG13 VAL 32 3HG1 VAL 32 -8.508 7.964 -3.071 257 HG21 VAL 32 1HG2 VAL 32 -7.814 8.444 0.577 258 HG22 VAL 32 2HG2 VAL 32 -7.914 7.222 -0.691 259 HG23 VAL 32 3HG2 VAL 32 -9.377 8.034 -0.129 260 H LYS 33 H LYS 33 -5.014 9.501 -3.598 261 HA LYS 33 HA LYS 33 -5.535 12.228 -4.479 262 HB2 LYS 33 2HB LYS 33 -3.662 10.108 -4.794 263 HB3 LYS 33 1HB LYS 33 -3.615 11.151 -6.140 264 HG2 LYS 33 2HG LYS 33 -2.792 12.964 -4.781 265 HG3 LYS 33 1HG LYS 33 -3.317 12.164 -3.296 266 HD2 LYS 33 2HD LYS 33 -1.657 10.642 -3.348 267 HD3 LYS 33 1HD LYS 33 -1.280 10.814 -5.039 268 HE2 LYS 33 2HE LYS 33 -0.368 13.127 -4.545 269 HE3 LYS 33 1HE LYS 33 -0.711 12.867 -2.842 270 HZ1 LYS 33 1HZ LYS 33 1.026 11.141 -2.765 271 HZ2 LYS 33 2HZ LYS 33 1.675 12.481 -3.442 272 HZ3 LYS 33 3HZ LYS 33 1.239 11.208 -4.410 273 H SER 34 H SER 34 -5.963 12.470 -6.743 274 HA SER 34 HA SER 34 -7.646 10.321 -7.518 275 HB2 SER 34 2HB SER 34 -8.709 12.134 -9.033 276 HB3 SER 34 1HB SER 34 -8.943 12.256 -7.286 277 HG SER 34 HG SER 34 -8.202 14.212 -7.668 278 H GLY 35 H GLY 35 -8.011 10.507 -10.161 279 HA2 GLY 35 2HA GLY 35 -7.095 10.332 -12.260 280 HA3 GLY 35 1HA GLY 35 -5.556 10.893 -11.611 281 H GLY 36 H GLY 36 -4.415 9.404 -10.267 282 HA2 GLY 36 2HA GLY 36 -4.948 6.624 -10.251 283 HA3 GLY 36 1HA GLY 36 -3.784 7.022 -11.519 284 H ARG 37 H ARG 37 -4.331 8.290 -8.214 285 HA ARG 37 HA ARG 37 -1.618 7.504 -7.566 286 HB2 ARG 37 2HB ARG 37 -2.629 9.880 -8.234 287 HB3 ARG 37 1HB ARG 37 -2.318 9.923 -6.499 288 HG2 ARG 37 2HG ARG 37 -0.245 9.326 -8.656 289 HG3 ARG 37 1HG ARG 37 -0.251 10.737 -7.599 290 HD2 ARG 37 2HD ARG 37 -0.025 9.071 -5.630 291 HD3 ARG 37 1HD ARG 37 0.162 7.862 -6.797 292 HE ARG 37 HE ARG 37 2.053 9.747 -7.476 293 HH11 ARG 37 1HH1 ARG 37 1.442 7.472 -4.808 294 HH12 ARG 37 2HH1 ARG 37 3.063 7.442 -4.280 295 HH21 ARG 37 1HH2 ARG 37 4.364 9.625 -6.702 296 HH22 ARG 37 2HH2 ARG 37 4.693 8.666 -5.336 297 H VAL 38 H VAL 38 -4.070 6.429 -6.840 298 HA VAL 38 HA VAL 38 -4.796 7.345 -4.242 299 HB VAL 38 HB VAL 38 -5.845 5.044 -3.904 300 HG11 VAL 38 1HG1 VAL 38 -6.634 6.610 -6.370 301 HG12 VAL 38 2HG1 VAL 38 -7.134 6.963 -4.717 302 HG13 VAL 38 3HG1 VAL 38 -7.680 5.485 -5.505 303 HG21 VAL 38 1HG2 VAL 38 -5.057 4.704 -6.799 304 HG22 VAL 38 2HG2 VAL 38 -6.136 3.637 -5.902 305 HG23 VAL 38 3HG2 VAL 38 -4.438 3.767 -5.440 306 H VAL 39 H VAL 39 -3.662 7.270 -2.444 307 HA VAL 39 HA VAL 39 -1.162 6.002 -2.812 308 HB VAL 39 HB VAL 39 -2.084 8.489 -1.533 309 HG11 VAL 39 1HG1 VAL 39 0.011 8.716 -0.252 310 HG12 VAL 39 2HG1 VAL 39 0.390 7.018 -0.641 311 HG13 VAL 39 3HG1 VAL 39 -1.025 7.404 0.324 312 HG21 VAL 39 1HG2 VAL 39 -0.060 9.304 -2.612 313 HG22 VAL 39 2HG2 VAL 39 -1.127 8.451 -3.731 314 HG23 VAL 39 3HG2 VAL 39 0.322 7.659 -3.116 315 H VAL 40 H VAL 40 -0.330 4.613 -1.663 316 HA VAL 40 HA VAL 40 -1.209 4.188 1.045 317 HB VAL 40 HB VAL 40 -0.693 1.753 0.783 318 HG11 VAL 40 1HG1 VAL 40 -3.019 2.399 0.668 319 HG12 VAL 40 2HG1 VAL 40 -2.721 1.066 -0.449 320 HG13 VAL 40 3HG1 VAL 40 -2.878 2.713 -1.061 321 HG21 VAL 40 1HG2 VAL 40 -0.563 0.750 -1.489 322 HG22 VAL 40 2HG2 VAL 40 0.779 1.835 -1.142 323 HG23 VAL 40 3HG2 VAL 40 -0.545 2.377 -2.170 324 H GLN 41 H GLN 41 0.526 3.926 2.332 325 HA GLN 41 HA GLN 41 3.119 4.132 0.992 326 HB2 GLN 41 2HB GLN 41 2.357 6.287 2.001 327 HB3 GLN 41 1HB GLN 41 2.302 5.469 3.549 328 HG2 GLN 41 2HG GLN 41 4.703 5.044 3.406 329 HG3 GLN 41 1HG GLN 41 4.752 5.925 1.881 330 HE21 GLN 41 1HE2 GLN 41 4.445 6.171 5.311 331 HE22 GLN 41 2HE2 GLN 41 4.612 7.894 5.378 332 H SER 42 H SER 42 4.355 2.609 1.525 333 HA SER 42 HA SER 42 3.576 0.807 3.662 334 HB2 SER 42 2HB SER 42 5.848 0.594 1.680 335 HB3 SER 42 1HB SER 42 5.295 -0.681 2.774 336 HG SER 42 HG SER 42 3.517 -0.914 1.613 337 H ASP 43 H ASP 43 5.448 -0.150 4.872 338 HA ASP 43 HA ASP 43 6.216 1.315 6.945 339 HB2 ASP 43 2HB ASP 43 8.149 -0.421 7.113 340 HB3 ASP 43 1HB ASP 43 6.468 -0.941 7.201 341 H GLN 44 H GLN 44 8.300 0.976 4.061 342 HA GLN 44 HA GLN 44 10.499 2.363 5.186 343 HB2 GLN 44 2HB GLN 44 9.801 1.998 2.303 344 HB3 GLN 44 1HB GLN 44 11.343 2.498 2.973 345 HG2 GLN 44 2HG GLN 44 11.589 0.300 4.021 346 HG3 GLN 44 1HG GLN 44 10.040 -0.191 3.320 347 HE21 GLN 44 1HE2 GLN 44 12.144 1.914 1.657 348 HE22 GLN 44 2HE2 GLN 44 12.716 0.812 0.449 349 H GLY 45 H GLY 45 7.529 3.590 4.248 350 HA2 GLY 45 2HA GLY 45 6.982 5.876 4.184 351 HA3 GLY 45 1HA GLY 45 8.709 6.197 3.962 352 H ARG 46 H ARG 46 7.772 3.742 1.946 353 HA ARG 46 HA ARG 46 7.994 5.360 -0.340 354 HB2 ARG 46 2HB ARG 46 7.781 3.188 -1.496 355 HB3 ARG 46 1HB ARG 46 9.070 3.202 -0.305 356 HG2 ARG 46 2HG ARG 46 7.301 2.082 1.234 357 HG3 ARG 46 1HG ARG 46 6.436 1.759 -0.267 358 HD2 ARG 46 2HD ARG 46 9.243 0.862 0.429 359 HD3 ARG 46 1HD ARG 46 7.812 -0.157 0.367 360 HE ARG 46 HE ARG 46 7.797 0.563 -2.107 361 HH11 ARG 46 1HH1 ARG 46 10.655 -0.348 -0.181 362 HH12 ARG 46 2HH1 ARG 46 11.611 -0.682 -1.543 363 HH21 ARG 46 1HH2 ARG 46 9.079 0.038 -3.902 364 HH22 ARG 46 2HH2 ARG 46 10.705 -0.414 -3.770 365 H GLU 47 H GLU 47 6.330 6.673 -0.703 366 HA GLU 47 HA GLU 47 3.549 5.880 -0.442 367 HB2 GLU 47 2HB GLU 47 4.180 8.229 0.038 368 HB3 GLU 47 1HB GLU 47 4.822 8.408 -1.594 369 HG2 GLU 47 2HG GLU 47 2.464 7.731 -2.363 370 HG3 GLU 47 1HG GLU 47 2.002 8.083 -0.712 371 H PHE 48 H PHE 48 2.651 4.685 -2.047 372 HA PHE 48 HA PHE 48 3.261 5.480 -4.761 373 HB2 PHE 48 2HB PHE 48 3.389 3.110 -5.532 374 HB3 PHE 48 1HB PHE 48 4.720 3.597 -4.498 375 HD1 PHE 48 HD1 PHE 48 2.045 1.273 -5.012 376 HD2 PHE 48 HD2 PHE 48 4.711 2.840 -2.098 377 HE1 PHE 48 HE1 PHE 48 1.662 -0.698 -3.600 378 HE2 PHE 48 HE2 PHE 48 4.326 0.879 -0.680 379 HZ PHE 48 HZ PHE 48 2.814 -0.895 -1.422 380 H THR 49 H THR 49 1.768 4.326 -6.341 381 HA THR 49 HA THR 49 -0.915 4.851 -5.440 382 HB THR 49 HB THR 49 0.318 4.279 -8.145 383 HG1 THR 49 HG1 THR 49 -0.535 6.381 -8.525 384 HG21 THR 49 1HG2 THR 49 -2.585 4.866 -7.535 385 HG22 THR 49 2HG2 THR 49 -1.959 3.322 -8.112 386 HG23 THR 49 3HG2 THR 49 -1.874 4.750 -9.146 387 H ALA 50 H ALA 50 -2.431 3.331 -5.239 388 HA ALA 50 HA ALA 50 -1.524 0.516 -5.419 389 HB1 ALA 50 1HB ALA 50 -3.795 1.683 -3.811 390 HB2 ALA 50 2HB ALA 50 -2.201 1.263 -3.183 391 HB3 ALA 50 3HB ALA 50 -3.270 0.000 -3.798 392 H ARG 51 H ARG 51 -3.159 -1.071 -6.012 393 HA ARG 51 HA ARG 51 -5.401 -0.113 -7.594 394 HB2 ARG 51 2HB ARG 51 -3.266 -2.020 -8.611 395 HB3 ARG 51 1HB ARG 51 -4.849 -1.868 -9.352 396 HG2 ARG 51 2HG ARG 51 -4.386 0.448 -9.931 397 HG3 ARG 51 1HG ARG 51 -2.832 0.361 -9.103 398 HD2 ARG 51 2HD ARG 51 -3.633 -1.325 -11.479 399 HD3 ARG 51 1HD ARG 51 -2.625 0.121 -11.560 400 HE ARG 51 HE ARG 51 -1.440 -1.502 -9.705 401 HH11 ARG 51 1HH1 ARG 51 -2.233 -1.860 -13.133 402 HH12 ARG 51 2HH1 ARG 51 -0.913 -2.866 -13.506 403 HH21 ARG 51 1HH2 ARG 51 0.365 -2.847 -10.161 404 HH22 ARG 51 2HH2 ARG 51 0.652 -3.461 -11.721 405 H GLY 52 H GLY 52 -7.031 -1.793 -7.819 406 HA2 GLY 52 2HA GLY 52 -7.446 -3.193 -5.406 407 HA3 GLY 52 1HA GLY 52 -8.394 -3.398 -6.869 408 H ASN 53 H ASN 53 -5.683 -4.202 -8.111 409 HA ASN 53 HA ASN 53 -6.016 -7.012 -7.513 410 HB2 ASN 53 2HB ASN 53 -4.193 -5.635 -9.506 411 HB3 ASN 53 1HB ASN 53 -4.383 -7.374 -9.360 412 HD21 ASN 53 1HD2 ASN 53 -7.270 -7.245 -8.922 413 HD22 ASN 53 2HD2 ASN 53 -7.938 -6.837 -10.466 414 H GLN 54 H GLN 54 -4.208 -4.491 -6.331 415 HA GLN 54 HA GLN 54 -1.911 -6.151 -5.587 416 HB2 GLN 54 2HB GLN 54 -2.298 -3.192 -5.870 417 HB3 GLN 54 1HB GLN 54 -0.922 -3.894 -5.052 418 HG2 GLN 54 2HG GLN 54 -0.194 -4.927 -7.101 419 HG3 GLN 54 1HG GLN 54 -1.657 -4.379 -7.926 420 HE21 GLN 54 1HE2 GLN 54 1.322 -3.350 -6.455 421 HE22 GLN 54 2HE2 GLN 54 1.399 -1.801 -7.199 422 H VAL 55 H VAL 55 -4.821 -5.461 -4.307 423 HA VAL 55 HA VAL 55 -3.673 -4.772 -1.696 424 HB VAL 55 HB VAL 55 -6.219 -3.538 -2.798 425 HG11 VAL 55 1HG1 VAL 55 -4.853 -3.078 -0.168 426 HG12 VAL 55 2HG1 VAL 55 -6.397 -3.889 -0.429 427 HG13 VAL 55 3HG1 VAL 55 -6.236 -2.166 -0.771 428 HG21 VAL 55 1HG2 VAL 55 -5.035 -1.381 -2.707 429 HG22 VAL 55 2HG2 VAL 55 -4.279 -2.502 -3.837 430 HG23 VAL 55 3HG2 VAL 55 -3.554 -2.224 -2.256 431 H ARG 56 H ARG 56 -4.239 -5.955 -0.123 432 HA ARG 56 HA ARG 56 -6.729 -7.435 -0.286 433 HB2 ARG 56 2HB ARG 56 -4.113 -8.322 0.780 434 HB3 ARG 56 1HB ARG 56 -5.593 -9.256 0.748 435 HG2 ARG 56 2HG ARG 56 -4.350 -8.158 -1.703 436 HG3 ARG 56 1HG ARG 56 -3.893 -9.739 -1.183 437 HD2 ARG 56 2HD ARG 56 -6.613 -8.708 -2.045 438 HD3 ARG 56 1HD ARG 56 -5.618 -9.885 -2.892 439 HE ARG 56 HE ARG 56 -6.065 -11.098 -0.562 440 HH11 ARG 56 1HH1 ARG 56 -8.248 -9.530 -2.847 441 HH12 ARG 56 2HH1 ARG 56 -9.592 -10.525 -2.553 442 HH21 ARG 56 1HH2 ARG 56 -7.933 -12.534 -0.092 443 HH22 ARG 56 2HH2 ARG 56 -9.397 -12.302 -0.914 444 H LEU 57 H LEU 57 -7.856 -6.831 1.346 445 HA LEU 57 HA LEU 57 -6.565 -5.554 3.612 446 HB2 LEU 57 2HB LEU 57 -8.682 -4.568 4.269 447 HB3 LEU 57 1HB LEU 57 -8.303 -4.174 2.612 448 HG LEU 57 HG LEU 57 -10.141 -6.361 3.377 449 HD11 LEU 57 1HD1 LEU 57 -12.016 -4.720 2.954 450 HD12 LEU 57 2HD1 LEU 57 -10.805 -3.449 2.784 451 HD13 LEU 57 3HD1 LEU 57 -11.015 -4.267 4.333 452 HD21 LEU 57 1HD2 LEU 57 -9.812 -4.796 0.810 453 HD22 LEU 57 2HD2 LEU 57 -11.129 -5.925 1.105 454 HD23 LEU 57 3HD2 LEU 57 -9.474 -6.512 1.064 455 H ILE 58 H ILE 58 -5.710 -7.069 4.651 456 HA ILE 58 HA ILE 58 -7.115 -8.107 6.802 457 HB ILE 58 HB ILE 58 -6.038 -10.390 6.358 458 HG12 ILE 58 2HG1 ILE 58 -6.402 -9.578 3.464 459 HG13 ILE 58 1HG1 ILE 58 -4.873 -9.869 4.275 460 HG21 ILE 58 1HG2 ILE 58 -8.076 -11.385 5.359 461 HG22 ILE 58 2HG2 ILE 58 -8.644 -9.755 5.000 462 HG23 ILE 58 3HG2 ILE 58 -8.402 -10.254 6.673 463 HD11 ILE 58 1HD1 ILE 58 -7.008 -11.920 3.719 464 HD12 ILE 58 2HD1 ILE 58 -5.478 -12.228 4.540 465 HD13 ILE 58 3HD1 ILE 58 -5.486 -11.732 2.847 466 H GLU 59 H GLU 59 -5.390 -8.789 8.334 467 HA GLU 59 HA GLU 59 -2.766 -8.347 7.311 468 HB2 GLU 59 2HB GLU 59 -3.988 -6.987 9.667 469 HB3 GLU 59 1HB GLU 59 -2.319 -7.516 9.827 470 HG2 GLU 59 2HG GLU 59 -3.342 -5.718 7.621 471 HG3 GLU 59 1HG GLU 59 -2.546 -5.152 9.088 Start of MODEL 12 1 H1 SER 1 1H SER 1 -19.452 -3.614 -8.750 2 H2 SER 1 2H SER 1 -19.226 -2.056 -9.340 3 H3 SER 1 3H SER 1 -20.217 -3.197 -10.204 4 HA SER 1 HA SER 1 -21.563 -1.612 -9.032 5 HB2 SER 1 2HB SER 1 -21.532 -4.353 -7.738 6 HB3 SER 1 1HB SER 1 -22.936 -3.304 -7.982 7 HG SER 1 HG SER 1 -22.901 -4.836 -9.632 8 H ASN 2 H ASN 2 -22.417 -1.900 -6.372 9 HA ASN 2 HA ASN 2 -20.160 -0.777 -4.892 10 HB2 ASN 2 2HB ASN 2 -22.478 0.286 -4.906 11 HB3 ASN 2 1HB ASN 2 -23.065 -1.153 -4.091 12 HD21 ASN 2 1HD2 ASN 2 -19.958 0.508 -3.461 13 HD22 ASN 2 2HD2 ASN 2 -20.387 0.971 -1.862 14 H ALA 3 H ALA 3 -19.549 -1.585 -2.917 15 HA ALA 3 HA ALA 3 -19.166 -2.966 -1.270 16 HB1 ALA 3 1HB ALA 3 -21.556 -3.568 -1.117 17 HB2 ALA 3 2HB ALA 3 -20.533 -4.966 -0.783 18 HB3 ALA 3 3HB ALA 3 -21.322 -4.807 -2.351 19 H MET 4 H MET 4 -17.894 -2.895 -3.699 20 HA MET 4 HA MET 4 -16.314 -5.318 -3.574 21 HB2 MET 4 2HB MET 4 -16.545 -5.894 -5.977 22 HB3 MET 4 1HB MET 4 -18.039 -6.108 -5.072 23 HG2 MET 4 2HG MET 4 -18.838 -3.955 -5.916 24 HG3 MET 4 1HG MET 4 -17.358 -3.780 -6.846 25 HE1 MET 4 1HE MET 4 -19.281 -7.202 -6.329 26 HE2 MET 4 2HE MET 4 -20.460 -7.129 -7.636 27 HE3 MET 4 3HE MET 4 -20.565 -5.994 -6.290 28 H GLU 5 H GLU 5 -16.448 -2.112 -3.771 29 HA GLU 5 HA GLU 5 -14.120 -1.881 -5.472 30 HB2 GLU 5 2HB GLU 5 -14.604 0.526 -5.544 31 HB3 GLU 5 1HB GLU 5 -15.975 -0.392 -6.126 32 HG2 GLU 5 2HG GLU 5 -15.802 0.706 -3.322 33 HG3 GLU 5 1HG GLU 5 -16.488 1.609 -4.664 34 H LEU 6 H LEU 6 -12.504 -0.384 -4.611 35 HA LEU 6 HA LEU 6 -12.195 -0.883 -1.731 36 HB2 LEU 6 2HB LEU 6 -10.058 -0.054 -3.676 37 HB3 LEU 6 1HB LEU 6 -9.926 -0.311 -1.953 38 HG LEU 6 HG LEU 6 -10.510 -2.729 -2.309 39 HD11 LEU 6 1HD1 LEU 6 -10.090 -2.096 -5.219 40 HD12 LEU 6 2HD1 LEU 6 -11.603 -2.594 -4.462 41 HD13 LEU 6 3HD1 LEU 6 -10.238 -3.711 -4.521 42 HD21 LEU 6 1HD2 LEU 6 -8.284 -3.363 -3.128 43 HD22 LEU 6 2HD2 LEU 6 -8.229 -2.060 -1.942 44 HD23 LEU 6 3HD2 LEU 6 -8.027 -1.700 -3.657 45 H ASP 7 H ASP 7 -13.654 0.625 -1.227 46 HA ASP 7 HA ASP 7 -12.522 3.301 -1.337 47 HB2 ASP 7 2HB ASP 7 -14.937 3.275 -1.669 48 HB3 ASP 7 1HB ASP 7 -15.177 2.463 -0.112 49 H LEU 8 H LEU 8 -10.858 2.830 -0.337 50 HA LEU 8 HA LEU 8 -11.075 2.132 2.487 51 HB2 LEU 8 2HB LEU 8 -8.850 1.927 0.522 52 HB3 LEU 8 1HB LEU 8 -8.625 1.558 2.244 53 HG LEU 8 HG LEU 8 -10.320 0.098 0.200 54 HD11 LEU 8 1HD1 LEU 8 -7.848 -0.731 1.686 55 HD12 LEU 8 2HD1 LEU 8 -7.944 -0.317 -0.026 56 HD13 LEU 8 3HD1 LEU 8 -8.774 -1.751 0.585 57 HD21 LEU 8 1HD2 LEU 8 -10.763 -1.543 1.974 58 HD22 LEU 8 2HD2 LEU 8 -11.439 0.036 2.363 59 HD23 LEU 8 3HD2 LEU 8 -9.946 -0.500 3.139 60 H GLN 9 H GLN 9 -10.687 3.640 3.834 61 HA GLN 9 HA GLN 9 -10.233 6.247 2.766 62 HB2 GLN 9 2HB GLN 9 -11.208 5.276 5.423 63 HB3 GLN 9 1HB GLN 9 -10.793 6.952 5.159 64 HG2 GLN 9 2HG GLN 9 -12.947 5.395 3.733 65 HG3 GLN 9 1HG GLN 9 -13.177 6.672 4.931 66 HE21 GLN 9 1HE2 GLN 9 -12.631 5.960 1.611 67 HE22 GLN 9 2HE2 GLN 9 -12.578 7.569 1.060 68 HA PRO 10 HA PRO 10 -6.155 6.743 4.083 69 HB2 PRO 10 2HB PRO 10 -6.743 9.349 5.324 70 HB3 PRO 10 1HB PRO 10 -5.730 8.973 3.935 71 HG2 PRO 10 2HG PRO 10 -8.110 10.190 3.624 72 HG3 PRO 10 1HG PRO 10 -7.422 9.113 2.400 73 HD2 PRO 10 2HD PRO 10 -9.602 8.590 4.315 74 HD3 PRO 10 1HD PRO 10 -9.365 7.983 2.686 75 H GLY 11 H GLY 11 -5.163 5.887 5.701 76 HA2 GLY 11 2HA GLY 11 -4.543 6.010 8.078 77 HA3 GLY 11 1HA GLY 11 -6.264 6.151 8.426 78 H ASP 12 H ASP 12 -6.597 4.136 6.099 79 HA ASP 12 HA ASP 12 -7.058 1.876 7.683 80 HB2 ASP 12 2HB ASP 12 -8.247 2.480 5.544 81 HB3 ASP 12 1HB ASP 12 -6.802 2.019 4.690 82 H VAL 13 H VAL 13 -6.209 -0.269 7.236 83 HA VAL 13 HA VAL 13 -3.264 -0.191 7.000 84 HB VAL 13 HB VAL 13 -4.810 -2.103 8.767 85 HG11 VAL 13 1HG1 VAL 13 -2.678 -2.977 8.046 86 HG12 VAL 13 2HG1 VAL 13 -2.625 -2.600 9.767 87 HG13 VAL 13 3HG1 VAL 13 -1.860 -1.517 8.604 88 HG21 VAL 13 1HG2 VAL 13 -3.319 0.385 9.600 89 HG22 VAL 13 2HG2 VAL 13 -4.012 -0.810 10.697 90 HG23 VAL 13 3HG2 VAL 13 -5.065 0.150 9.657 91 H VAL 14 H VAL 14 -2.787 -1.159 5.139 92 HA VAL 14 HA VAL 14 -4.138 -3.674 4.468 93 HB VAL 14 HB VAL 14 -4.100 -3.041 2.082 94 HG11 VAL 14 1HG1 VAL 14 -6.178 -2.774 3.322 95 HG12 VAL 14 2HG1 VAL 14 -6.008 -1.512 2.102 96 HG13 VAL 14 3HG1 VAL 14 -5.697 -1.144 3.800 97 HG21 VAL 14 1HG2 VAL 14 -3.391 -0.281 3.086 98 HG22 VAL 14 2HG2 VAL 14 -3.835 -0.678 1.426 99 HG23 VAL 14 3HG2 VAL 14 -2.358 -1.342 2.127 100 H LYS 15 H LYS 15 -2.920 -4.745 2.671 101 HA LYS 15 HA LYS 15 -0.092 -4.045 2.638 102 HB2 LYS 15 2HB LYS 15 0.208 -6.507 2.141 103 HB3 LYS 15 1HB LYS 15 -0.097 -6.090 3.810 104 HG2 LYS 15 2HG LYS 15 -2.398 -6.723 3.577 105 HG3 LYS 15 1HG LYS 15 -2.158 -7.053 1.862 106 HD2 LYS 15 2HD LYS 15 -0.597 -8.728 2.363 107 HD3 LYS 15 1HD LYS 15 -0.668 -8.400 4.102 108 HE2 LYS 15 2HE LYS 15 -3.114 -8.950 3.968 109 HE3 LYS 15 1HE LYS 15 -2.826 -9.483 2.320 110 HZ1 LYS 15 1HZ LYS 15 -2.775 -11.262 4.023 111 HZ2 LYS 15 2HZ LYS 15 -1.375 -10.560 4.651 112 HZ3 LYS 15 3HZ LYS 15 -1.345 -11.203 3.099 113 H VAL 16 H VAL 16 0.793 -4.053 0.720 114 HA VAL 16 HA VAL 16 -0.990 -4.593 -1.533 115 HB VAL 16 HB VAL 16 0.777 -2.152 -1.251 116 HG11 VAL 16 1HG1 VAL 16 0.662 -2.917 -3.548 117 HG12 VAL 16 2HG1 VAL 16 -0.241 -1.413 -3.351 118 HG13 VAL 16 3HG1 VAL 16 -1.099 -2.947 -3.465 119 HG21 VAL 16 1HG2 VAL 16 -1.151 -1.834 0.130 120 HG22 VAL 16 2HG2 VAL 16 -2.204 -2.453 -1.128 121 HG23 VAL 16 3HG2 VAL 16 -1.411 -0.896 -1.351 122 H LEU 17 H LEU 17 -0.038 -5.654 -3.097 123 HA LEU 17 HA LEU 17 2.786 -6.091 -2.790 124 HB2 LEU 17 2HB LEU 17 1.451 -8.113 -3.063 125 HB3 LEU 17 1HB LEU 17 0.796 -7.562 -4.569 126 HG LEU 17 HG LEU 17 3.755 -8.133 -4.219 127 HD11 LEU 17 1HD1 LEU 17 3.307 -10.355 -5.168 128 HD12 LEU 17 2HD1 LEU 17 1.576 -10.025 -5.118 129 HD13 LEU 17 3HD1 LEU 17 2.495 -10.146 -3.617 130 HD21 LEU 17 1HD2 LEU 17 3.132 -6.870 -6.235 131 HD22 LEU 17 2HD2 LEU 17 1.980 -8.133 -6.671 132 HD23 LEU 17 3HD2 LEU 17 3.709 -8.486 -6.644 133 H GLU 18 H GLU 18 3.728 -4.391 -3.495 134 HA GLU 18 HA GLU 18 2.918 -2.756 -5.646 135 HB2 GLU 18 2HB GLU 18 4.411 -1.916 -3.911 136 HB3 GLU 18 1HB GLU 18 5.659 -3.057 -4.400 137 HG2 GLU 18 2HG GLU 18 5.575 -1.965 -6.672 138 HG3 GLU 18 1HG GLU 18 4.624 -0.693 -5.935 139 H SER 19 H SER 19 5.738 -4.781 -5.317 140 HA SER 19 HA SER 19 5.798 -5.252 -8.186 141 HB2 SER 19 2HB SER 19 7.948 -4.382 -6.283 142 HB3 SER 19 1HB SER 19 8.343 -5.033 -7.898 143 HG SER 19 HG SER 19 7.490 -2.546 -7.095 144 H ALA 20 H ALA 20 6.556 -7.295 -8.752 145 HA ALA 20 HA ALA 20 5.984 -9.399 -6.981 146 HB1 ALA 20 1HB ALA 20 6.746 -10.882 -8.748 147 HB2 ALA 20 2HB ALA 20 7.518 -9.528 -9.574 148 HB3 ALA 20 3HB ALA 20 5.762 -9.580 -9.417 149 H ALA 21 H ALA 21 8.888 -7.658 -7.493 150 HA ALA 21 HA ALA 21 10.576 -9.723 -6.347 151 HB1 ALA 21 1HB ALA 21 12.410 -8.157 -6.742 152 HB2 ALA 21 2HB ALA 21 11.256 -6.906 -7.202 153 HB3 ALA 21 3HB ALA 21 11.431 -8.352 -8.196 154 H LEU 22 H LEU 22 8.414 -7.753 -5.046 155 HA LEU 22 HA LEU 22 9.996 -7.323 -2.601 156 HB2 LEU 22 2HB LEU 22 7.780 -5.565 -3.664 157 HB3 LEU 22 1HB LEU 22 8.543 -5.376 -2.101 158 HG LEU 22 HG LEU 22 9.889 -5.006 -4.781 159 HD11 LEU 22 1HD1 LEU 22 9.964 -2.648 -4.148 160 HD12 LEU 22 2HD1 LEU 22 9.055 -3.013 -2.682 161 HD13 LEU 22 3HD1 LEU 22 8.306 -3.236 -4.262 162 HD21 LEU 22 1HD2 LEU 22 11.776 -4.136 -3.464 163 HD22 LEU 22 2HD2 LEU 22 11.468 -5.834 -3.121 164 HD23 LEU 22 3HD2 LEU 22 10.945 -4.598 -1.977 165 H GLY 23 H GLY 23 6.746 -7.761 -3.940 166 HA2 GLY 23 2HA GLY 23 5.255 -9.432 -3.202 167 HA3 GLY 23 1HA GLY 23 6.179 -9.549 -1.710 168 H TRP 24 H TRP 24 4.163 -9.430 -0.655 169 HA TRP 24 HA TRP 24 2.596 -7.040 -0.727 170 HB2 TRP 24 2HB TRP 24 2.563 -9.384 1.191 171 HB3 TRP 24 1HB TRP 24 1.387 -8.079 1.173 172 HD1 TRP 24 HD1 TRP 24 2.371 -11.252 -0.695 173 HE1 TRP 24 HE1 TRP 24 0.494 -11.833 -2.367 174 HE3 TRP 24 HE3 TRP 24 -0.445 -7.027 -0.231 175 HZ2 TRP 24 HZ2 TRP 24 -1.868 -10.641 -3.361 176 HZ3 TRP 24 HZ3 TRP 24 -2.467 -6.819 -1.581 177 HH2 TRP 24 HH2 TRP 24 -3.172 -8.585 -3.109 178 H VAL 25 H VAL 25 3.348 -5.244 0.122 179 HA VAL 25 HA VAL 25 4.889 -5.383 2.594 180 HB VAL 25 HB VAL 25 5.538 -2.991 2.064 181 HG11 VAL 25 1HG1 VAL 25 7.048 -4.819 1.504 182 HG12 VAL 25 2HG1 VAL 25 7.136 -3.553 0.278 183 HG13 VAL 25 3HG1 VAL 25 6.235 -5.035 -0.046 184 HG21 VAL 25 1HG2 VAL 25 3.655 -2.420 0.603 185 HG22 VAL 25 2HG2 VAL 25 4.222 -3.584 -0.595 186 HG23 VAL 25 3HG2 VAL 25 5.191 -2.158 -0.225 187 H ARG 26 H ARG 26 4.252 -3.826 4.302 188 HA ARG 26 HA ARG 26 1.320 -3.778 4.263 189 HB2 ARG 26 2HB ARG 26 2.482 -5.165 5.939 190 HB3 ARG 26 1HB ARG 26 3.204 -3.707 6.602 191 HG2 ARG 26 2HG ARG 26 1.065 -2.918 7.330 192 HG3 ARG 26 1HG ARG 26 0.243 -4.231 6.478 193 HD2 ARG 26 2HD ARG 26 2.235 -4.635 8.713 194 HD3 ARG 26 1HD ARG 26 0.488 -4.632 8.932 195 HE ARG 26 HE ARG 26 0.343 -6.694 7.800 196 HH11 ARG 26 1HH1 ARG 26 3.735 -5.658 7.897 197 HH12 ARG 26 2HH1 ARG 26 4.366 -7.221 7.675 198 HH21 ARG 26 1HH2 ARG 26 1.157 -8.782 7.534 199 HH22 ARG 26 2HH2 ARG 26 2.826 -9.107 7.457 200 H ALA 27 H ALA 27 0.261 -1.976 4.347 201 HA ALA 27 HA ALA 27 1.797 0.485 4.701 202 HB1 ALA 27 1HB ALA 27 1.860 -0.181 2.340 203 HB2 ALA 27 2HB ALA 27 1.035 1.349 2.619 204 HB3 ALA 27 3HB ALA 27 0.098 -0.114 2.305 205 H ARG 28 H ARG 28 0.502 2.368 4.576 206 HA ARG 28 HA ARG 28 -2.199 2.062 5.737 207 HB2 ARG 28 2HB ARG 28 -0.143 4.274 5.934 208 HB3 ARG 28 1HB ARG 28 -1.798 4.422 6.483 209 HG2 ARG 28 2HG ARG 28 0.152 2.408 7.564 210 HG3 ARG 28 1HG ARG 28 -0.112 4.004 8.265 211 HD2 ARG 28 2HD ARG 28 -2.529 3.413 8.500 212 HD3 ARG 28 1HD ARG 28 -2.122 1.775 7.984 213 HE ARG 28 HE ARG 28 -0.448 2.014 9.942 214 HH11 ARG 28 1HH1 ARG 28 -3.875 3.029 9.894 215 HH12 ARG 28 2HH1 ARG 28 -4.111 2.881 11.550 216 HH21 ARG 28 1HH2 ARG 28 -0.785 1.800 12.298 217 HH22 ARG 28 2HH2 ARG 28 -2.304 2.158 12.968 218 H VAL 29 H VAL 29 -3.799 2.817 4.506 219 HA VAL 29 HA VAL 29 -3.314 4.081 1.933 220 HB VAL 29 HB VAL 29 -5.830 4.055 3.633 221 HG11 VAL 29 1HG1 VAL 29 -7.001 4.454 1.489 222 HG12 VAL 29 2HG1 VAL 29 -5.446 4.500 0.657 223 HG13 VAL 29 3HG1 VAL 29 -5.847 5.741 1.843 224 HG21 VAL 29 1HG2 VAL 29 -5.016 2.119 1.462 225 HG22 VAL 29 2HG2 VAL 29 -6.578 2.145 2.280 226 HG23 VAL 29 3HG2 VAL 29 -5.112 1.768 3.186 227 H ILE 30 H ILE 30 -2.508 5.934 1.727 228 HA ILE 30 HA ILE 30 -2.727 7.836 3.952 229 HB ILE 30 HB ILE 30 -1.076 7.948 1.420 230 HG12 ILE 30 2HG1 ILE 30 -0.255 6.269 2.953 231 HG13 ILE 30 1HG1 ILE 30 0.842 7.643 2.917 232 HG21 ILE 30 1HG2 ILE 30 -1.660 10.209 2.141 233 HG22 ILE 30 2HG2 ILE 30 0.054 9.895 2.409 234 HG23 ILE 30 3HG2 ILE 30 -1.073 9.853 3.766 235 HD11 ILE 30 1HD1 ILE 30 0.577 6.811 5.178 236 HD12 ILE 30 2HD1 ILE 30 -1.166 7.022 5.079 237 HD13 ILE 30 3HD1 ILE 30 -0.106 8.434 5.044 238 H ARG 31 H ARG 31 -3.742 7.582 0.585 239 HA ARG 31 HA ARG 31 -5.708 9.407 1.255 240 HB2 ARG 31 2HB ARG 31 -4.583 11.106 0.798 241 HB3 ARG 31 1HB ARG 31 -3.280 10.076 0.712 242 HG2 ARG 31 2HG ARG 31 -3.290 9.655 -1.554 243 HG3 ARG 31 1HG ARG 31 -4.770 10.550 -1.816 244 HD2 ARG 31 2HD ARG 31 -2.974 11.865 -2.536 245 HD3 ARG 31 1HD ARG 31 -3.492 12.591 -1.008 246 HE ARG 31 HE ARG 31 -1.293 10.635 -0.869 247 HH11 ARG 31 1HH1 ARG 31 -2.197 14.066 -0.663 248 HH12 ARG 31 2HH1 ARG 31 -0.704 14.538 0.003 249 HH21 ARG 31 1HH2 ARG 31 0.739 11.276 0.006 250 HH22 ARG 31 2HH2 ARG 31 1.024 12.888 0.404 251 H VAL 32 H VAL 32 -6.908 9.705 -0.430 252 HA VAL 32 HA VAL 32 -6.816 7.598 -2.484 253 HB VAL 32 HB VAL 32 -9.295 9.139 -1.637 254 HG11 VAL 32 1HG1 VAL 32 -10.544 7.440 -2.882 255 HG12 VAL 32 2HG1 VAL 32 -9.030 6.685 -3.372 256 HG13 VAL 32 3HG1 VAL 32 -9.421 8.313 -3.928 257 HG21 VAL 32 1HG2 VAL 32 -8.532 7.726 0.194 258 HG22 VAL 32 2HG2 VAL 32 -8.460 6.335 -0.887 259 HG23 VAL 32 3HG2 VAL 32 -10.015 7.076 -0.506 260 H LYS 33 H LYS 33 -5.544 8.565 -3.940 261 HA LYS 33 HA LYS 33 -6.250 11.059 -5.170 262 HB2 LYS 33 2HB LYS 33 -4.509 8.836 -5.467 263 HB3 LYS 33 1HB LYS 33 -4.505 9.846 -6.851 264 HG2 LYS 33 2HG LYS 33 -3.563 11.706 -5.559 265 HG3 LYS 33 1HG LYS 33 -3.961 10.901 -4.040 266 HD2 LYS 33 2HD LYS 33 -2.303 9.293 -4.348 267 HD3 LYS 33 1HD LYS 33 -2.009 9.748 -6.001 268 HE2 LYS 33 2HE LYS 33 -1.059 11.931 -5.278 269 HE3 LYS 33 1HE LYS 33 -1.450 11.582 -3.607 270 HZ1 LYS 33 1HZ LYS 33 0.926 11.309 -4.225 271 HZ2 LYS 33 2HZ LYS 33 0.558 9.944 -5.129 272 HZ3 LYS 33 3HZ LYS 33 0.322 9.984 -3.480 273 H SER 34 H SER 34 -7.029 11.076 -7.306 274 HA SER 34 HA SER 34 -8.978 9.062 -7.394 275 HB2 SER 34 2HB SER 34 -8.850 11.581 -9.042 276 HB3 SER 34 1HB SER 34 -10.236 10.491 -8.958 277 HG SER 34 HG SER 34 -9.531 11.053 -6.473 278 H GLY 35 H GLY 35 -9.839 8.370 -9.677 279 HA2 GLY 35 2HA GLY 35 -9.515 7.465 -11.760 280 HA3 GLY 35 1HA GLY 35 -7.851 8.042 -11.734 281 H GLY 36 H GLY 36 -6.355 6.914 -10.540 282 HA2 GLY 36 2HA GLY 36 -6.884 4.391 -9.324 283 HA3 GLY 36 1HA GLY 36 -6.164 4.212 -10.929 284 H ARG 37 H ARG 37 -5.643 6.863 -8.679 285 HA ARG 37 HA ARG 37 -2.776 6.312 -8.719 286 HB2 ARG 37 2HB ARG 37 -4.474 8.438 -9.226 287 HB3 ARG 37 1HB ARG 37 -3.446 8.811 -7.844 288 HG2 ARG 37 2HG ARG 37 -2.371 7.872 -10.497 289 HG3 ARG 37 1HG ARG 37 -2.396 9.560 -9.979 290 HD2 ARG 37 2HD ARG 37 -1.067 8.985 -8.036 291 HD3 ARG 37 1HD ARG 37 -0.987 7.318 -8.499 292 HE ARG 37 HE ARG 37 -0.086 8.944 -10.622 293 HH11 ARG 37 1HH1 ARG 37 1.008 7.700 -7.497 294 HH12 ARG 37 2HH1 ARG 37 2.677 7.835 -7.826 295 HH21 ARG 37 1HH2 ARG 37 2.232 9.134 -11.118 296 HH22 ARG 37 2HH2 ARG 37 3.396 8.690 -9.976 297 H VAL 38 H VAL 38 -4.810 5.247 -7.003 298 HA VAL 38 HA VAL 38 -4.815 6.592 -4.501 299 HB VAL 38 HB VAL 38 -5.653 4.472 -3.495 300 HG11 VAL 38 1HG1 VAL 38 -7.032 5.272 -6.057 301 HG12 VAL 38 2HG1 VAL 38 -7.225 6.043 -4.484 302 HG13 VAL 38 3HG1 VAL 38 -7.778 4.385 -4.727 303 HG21 VAL 38 1HG2 VAL 38 -5.368 3.357 -6.285 304 HG22 VAL 38 2HG2 VAL 38 -6.178 2.553 -4.938 305 HG23 VAL 38 3HG2 VAL 38 -4.441 2.862 -4.868 306 H VAL 39 H VAL 39 -3.523 6.363 -2.693 307 HA VAL 39 HA VAL 39 -1.104 4.876 -3.235 308 HB VAL 39 HB VAL 39 0.091 6.714 -2.079 309 HG11 VAL 39 1HG1 VAL 39 -1.176 7.297 -4.767 310 HG12 VAL 39 2HG1 VAL 39 0.294 6.363 -4.491 311 HG13 VAL 39 3HG1 VAL 39 0.268 8.092 -4.143 312 HG21 VAL 39 1HG2 VAL 39 -1.736 7.885 -1.092 313 HG22 VAL 39 2HG2 VAL 39 -2.466 8.153 -2.668 314 HG23 VAL 39 3HG2 VAL 39 -0.954 8.971 -2.248 315 H VAL 40 H VAL 40 -0.065 4.078 -1.654 316 HA VAL 40 HA VAL 40 -1.104 4.310 1.062 317 HB VAL 40 HB VAL 40 -0.608 1.892 1.382 318 HG11 VAL 40 1HG1 VAL 40 -2.904 2.462 0.883 319 HG12 VAL 40 2HG1 VAL 40 -2.492 0.934 0.109 320 HG13 VAL 40 3HG1 VAL 40 -2.568 2.414 -0.847 321 HG21 VAL 40 1HG2 VAL 40 1.069 1.657 -0.406 322 HG22 VAL 40 2HG2 VAL 40 -0.213 1.771 -1.617 323 HG23 VAL 40 3HG2 VAL 40 -0.171 0.412 -0.489 324 H GLN 41 H GLN 41 0.496 4.424 2.538 325 HA GLN 41 HA GLN 41 3.231 4.402 1.486 326 HB2 GLN 41 2HB GLN 41 2.635 6.556 2.390 327 HB3 GLN 41 1HB GLN 41 2.054 5.819 3.864 328 HG2 GLN 41 2HG GLN 41 4.331 5.140 4.425 329 HG3 GLN 41 1HG GLN 41 4.912 5.850 2.921 330 HE21 GLN 41 1HE2 GLN 41 5.065 8.059 2.745 331 HE22 GLN 41 2HE2 GLN 41 4.916 9.108 4.117 332 H SER 42 H SER 42 4.310 2.806 1.910 333 HA SER 42 HA SER 42 3.305 0.796 3.690 334 HB2 SER 42 2HB SER 42 4.265 0.390 1.395 335 HB3 SER 42 1HB SER 42 5.853 0.733 2.072 336 HG SER 42 HG SER 42 5.752 -1.184 3.234 337 H ASP 43 H ASP 43 4.805 -0.351 4.967 338 HA ASP 43 HA ASP 43 5.752 0.774 7.198 339 HB2 ASP 43 2HB ASP 43 7.359 -1.333 7.173 340 HB3 ASP 43 1HB ASP 43 5.615 -1.527 7.294 341 H GLN 44 H GLN 44 7.536 0.336 4.241 342 HA GLN 44 HA GLN 44 10.037 1.301 5.168 343 HB2 GLN 44 2HB GLN 44 8.901 0.626 2.503 344 HB3 GLN 44 1HB GLN 44 10.441 1.457 2.607 345 HG2 GLN 44 2HG GLN 44 9.783 -1.195 3.877 346 HG3 GLN 44 1HG GLN 44 10.712 -0.961 2.396 347 HE21 GLN 44 1HE2 GLN 44 11.939 1.490 3.564 348 HE22 GLN 44 2HE2 GLN 44 13.161 0.888 4.642 349 H GLY 45 H GLY 45 7.274 3.037 4.753 350 HA2 GLY 45 2HA GLY 45 7.063 5.363 4.877 351 HA3 GLY 45 1HA GLY 45 8.794 5.439 4.518 352 H ARG 46 H ARG 46 7.787 3.496 2.371 353 HA ARG 46 HA ARG 46 7.911 5.336 0.173 354 HB2 ARG 46 2HB ARG 46 9.034 3.191 0.153 355 HB3 ARG 46 1HB ARG 46 7.520 2.357 0.377 356 HG2 ARG 46 2HG ARG 46 6.848 2.899 -1.888 357 HG3 ARG 46 1HG ARG 46 8.294 3.901 -2.102 358 HD2 ARG 46 2HD ARG 46 9.737 1.996 -1.769 359 HD3 ARG 46 1HD ARG 46 8.366 0.975 -1.383 360 HE ARG 46 HE ARG 46 7.742 0.995 -3.684 361 HH11 ARG 46 1HH1 ARG 46 10.818 2.667 -3.194 362 HH12 ARG 46 2HH1 ARG 46 11.495 2.147 -4.678 363 HH21 ARG 46 1HH2 ARG 46 8.653 0.210 -5.592 364 HH22 ARG 46 2HH2 ARG 46 10.184 0.684 -6.142 365 H GLU 47 H GLU 47 6.080 6.590 -0.192 366 HA GLU 47 HA GLU 47 3.428 5.416 -0.100 367 HB2 GLU 47 2HB GLU 47 3.723 7.856 0.510 368 HB3 GLU 47 1HB GLU 47 4.234 8.176 -1.147 369 HG2 GLU 47 2HG GLU 47 2.037 7.269 -1.922 370 HG3 GLU 47 1HG GLU 47 1.520 7.196 -0.248 371 H PHE 48 H PHE 48 2.799 4.205 -1.792 372 HA PHE 48 HA PHE 48 3.587 5.128 -4.433 373 HB2 PHE 48 2HB PHE 48 4.011 2.847 -5.232 374 HB3 PHE 48 1HB PHE 48 5.106 3.280 -3.933 375 HD1 PHE 48 HD1 PHE 48 4.923 2.192 -1.752 376 HD2 PHE 48 HD2 PHE 48 2.387 1.125 -4.993 377 HE1 PHE 48 HE1 PHE 48 4.332 0.106 -0.603 378 HE2 PHE 48 HE2 PHE 48 1.788 -0.949 -3.847 379 HZ PHE 48 HZ PHE 48 2.761 -1.468 -1.655 380 H THR 49 H THR 49 2.292 3.891 -6.138 381 HA THR 49 HA THR 49 -0.475 4.205 -5.261 382 HB THR 49 HB THR 49 0.209 5.847 -6.923 383 HG1 THR 49 HG1 THR 49 -1.876 4.722 -6.958 384 HG21 THR 49 1HG2 THR 49 2.011 4.612 -8.035 385 HG22 THR 49 2HG2 THR 49 0.833 5.191 -9.215 386 HG23 THR 49 3HG2 THR 49 0.831 3.497 -8.723 387 H ALA 50 H ALA 50 -2.108 2.682 -5.989 388 HA ALA 50 HA ALA 50 -0.924 0.173 -6.945 389 HB1 ALA 50 1HB ALA 50 -2.619 0.387 -4.484 390 HB2 ALA 50 2HB ALA 50 -0.872 0.176 -4.511 391 HB3 ALA 50 3HB ALA 50 -1.923 -1.086 -5.165 392 H ARG 51 H ARG 51 -2.379 -1.344 -7.754 393 HA ARG 51 HA ARG 51 -4.938 -0.267 -8.671 394 HB2 ARG 51 2HB ARG 51 -3.353 -2.754 -9.366 395 HB3 ARG 51 1HB ARG 51 -5.046 -2.640 -9.769 396 HG2 ARG 51 2HG ARG 51 -3.687 -2.192 -11.720 397 HG3 ARG 51 1HG ARG 51 -4.547 -0.736 -11.261 398 HD2 ARG 51 2HD ARG 51 -1.734 -1.174 -10.331 399 HD3 ARG 51 1HD ARG 51 -2.033 -0.635 -11.981 400 HE ARG 51 HE ARG 51 -3.420 1.157 -10.698 401 HH11 ARG 51 1HH1 ARG 51 -0.315 -0.160 -9.651 402 HH12 ARG 51 2HH1 ARG 51 0.250 1.278 -8.950 403 HH21 ARG 51 1HH2 ARG 51 -2.682 3.182 -9.768 404 HH22 ARG 51 2HH2 ARG 51 -1.178 3.280 -9.046 405 H GLY 52 H GLY 52 -6.893 -1.606 -8.269 406 HA2 GLY 52 2HA GLY 52 -7.141 -2.240 -5.542 407 HA3 GLY 52 1HA GLY 52 -8.332 -2.627 -6.768 408 H ASN 53 H ASN 53 -6.140 -4.261 -8.128 409 HA ASN 53 HA ASN 53 -6.728 -6.664 -6.625 410 HB2 ASN 53 2HB ASN 53 -5.407 -6.296 -9.321 411 HB3 ASN 53 1HB ASN 53 -5.686 -7.861 -8.573 412 HD21 ASN 53 1HD2 ASN 53 -8.307 -7.103 -7.470 413 HD22 ASN 53 2HD2 ASN 53 -9.360 -7.049 -8.836 414 H GLN 54 H GLN 54 -4.436 -4.411 -6.362 415 HA GLN 54 HA GLN 54 -2.249 -6.264 -5.784 416 HB2 GLN 54 2HB GLN 54 -2.392 -3.288 -6.179 417 HB3 GLN 54 1HB GLN 54 -0.955 -4.068 -5.579 418 HG2 GLN 54 2HG GLN 54 -0.844 -5.351 -7.696 419 HG3 GLN 54 1HG GLN 54 -2.245 -4.443 -8.270 420 HE21 GLN 54 1HE2 GLN 54 1.102 -4.235 -7.350 421 HE22 GLN 54 2HE2 GLN 54 1.458 -2.761 -8.130 422 H VAL 55 H VAL 55 -4.874 -5.000 -4.261 423 HA VAL 55 HA VAL 55 -3.393 -4.294 -1.824 424 HB VAL 55 HB VAL 55 -5.999 -3.057 -2.752 425 HG11 VAL 55 1HG1 VAL 55 -4.223 -2.310 -0.434 426 HG12 VAL 55 2HG1 VAL 55 -5.805 -3.079 -0.346 427 HG13 VAL 55 3HG1 VAL 55 -5.662 -1.429 -0.951 428 HG21 VAL 55 1HG2 VAL 55 -4.233 -2.279 -4.210 429 HG22 VAL 55 2HG2 VAL 55 -3.243 -1.829 -2.824 430 HG23 VAL 55 3HG2 VAL 55 -4.751 -0.976 -3.144 431 H ARG 56 H ARG 56 -4.018 -5.131 -0.028 432 HA ARG 56 HA ARG 56 -6.532 -6.590 0.088 433 HB2 ARG 56 2HB ARG 56 -3.811 -7.436 0.751 434 HB3 ARG 56 1HB ARG 56 -5.188 -8.161 1.537 435 HG2 ARG 56 2HG ARG 56 -5.376 -8.025 -1.343 436 HG3 ARG 56 1HG ARG 56 -4.085 -9.074 -0.811 437 HD2 ARG 56 2HD ARG 56 -7.061 -9.192 -0.204 438 HD3 ARG 56 1HD ARG 56 -6.035 -10.415 -0.973 439 HE ARG 56 HE ARG 56 -4.914 -10.518 1.345 440 HH11 ARG 56 1HH1 ARG 56 -8.389 -9.991 0.901 441 HH12 ARG 56 2HH1 ARG 56 -8.814 -10.591 2.439 442 HH21 ARG 56 1HH2 ARG 56 -5.537 -11.374 3.543 443 HH22 ARG 56 2HH2 ARG 56 -7.142 -11.407 3.938 444 H LEU 57 H LEU 57 -7.530 -5.961 1.662 445 HA LEU 57 HA LEU 57 -6.256 -4.805 4.032 446 HB2 LEU 57 2HB LEU 57 -8.416 -4.039 4.752 447 HB3 LEU 57 1HB LEU 57 -8.281 -3.606 3.067 448 HG LEU 57 HG LEU 57 -9.697 -6.036 4.020 449 HD11 LEU 57 1HD1 LEU 57 -10.767 -4.078 5.044 450 HD12 LEU 57 2HD1 LEU 57 -11.817 -4.708 3.774 451 HD13 LEU 57 3HD1 LEU 57 -10.838 -3.272 3.477 452 HD21 LEU 57 1HD2 LEU 57 -9.219 -6.129 1.655 453 HD22 LEU 57 2HD2 LEU 57 -9.847 -4.500 1.417 454 HD23 LEU 57 3HD2 LEU 57 -10.942 -5.813 1.846 455 H ILE 58 H ILE 58 -6.396 -5.782 5.982 456 HA ILE 58 HA ILE 58 -6.429 -7.489 7.434 457 HB ILE 58 HB ILE 58 -8.372 -8.846 5.500 458 HG12 ILE 58 2HG1 ILE 58 -8.929 -7.405 8.108 459 HG13 ILE 58 1HG1 ILE 58 -9.215 -6.743 6.505 460 HG21 ILE 58 1HG2 ILE 58 -7.700 -9.626 8.346 461 HG22 ILE 58 2HG2 ILE 58 -7.267 -10.527 6.895 462 HG23 ILE 58 3HG2 ILE 58 -8.962 -10.359 7.355 463 HD11 ILE 58 1HD1 ILE 58 -10.576 -9.154 7.695 464 HD12 ILE 58 2HD1 ILE 58 -10.877 -8.489 6.090 465 HD13 ILE 58 3HD1 ILE 58 -11.272 -7.543 7.524 466 H GLU 59 H GLU 59 -5.227 -9.354 7.770 467 HA GLU 59 HA GLU 59 -3.166 -9.754 5.870 468 HB2 GLU 59 2HB GLU 59 -3.041 -9.772 8.454 469 HB3 GLU 59 1HB GLU 59 -3.677 -11.403 8.349 470 HG2 GLU 59 2HG GLU 59 -1.276 -11.450 8.607 471 HG3 GLU 59 1HG GLU 59 -1.723 -12.062 7.015 Start of MODEL 13 1 H1 SER 1 1H SER 1 -16.466 -4.539 -7.932 2 H2 SER 1 2H SER 1 -15.982 -3.044 -8.361 3 H3 SER 1 3H SER 1 -15.355 -4.363 -9.214 4 HA SER 1 HA SER 1 -17.564 -4.837 -10.070 5 HB2 SER 1 2HB SER 1 -18.255 -2.293 -8.565 6 HB3 SER 1 1HB SER 1 -19.350 -3.164 -9.641 7 HG SER 1 HG SER 1 -18.312 -3.979 -7.120 8 H ASN 2 H ASN 2 -18.736 -2.996 -11.701 9 HA ASN 2 HA ASN 2 -16.650 -2.085 -13.415 10 HB2 ASN 2 2HB ASN 2 -19.580 -1.271 -13.413 11 HB3 ASN 2 1HB ASN 2 -18.441 -0.942 -14.707 12 HD21 ASN 2 1HD2 ASN 2 -19.588 -2.059 -16.254 13 HD22 ASN 2 2HD2 ASN 2 -19.745 -3.782 -16.229 14 H ALA 3 H ALA 3 -18.260 -0.682 -10.777 15 HA ALA 3 HA ALA 3 -16.706 1.675 -11.218 16 HB1 ALA 3 1HB ALA 3 -19.088 2.238 -11.123 17 HB2 ALA 3 2HB ALA 3 -18.324 2.768 -9.625 18 HB3 ALA 3 3HB ALA 3 -19.279 1.286 -9.651 19 H MET 4 H MET 4 -15.237 1.902 -9.690 20 HA MET 4 HA MET 4 -14.543 -0.289 -8.054 21 HB2 MET 4 2HB MET 4 -12.815 1.171 -8.915 22 HB3 MET 4 1HB MET 4 -13.469 2.523 -8.001 23 HG2 MET 4 2HG MET 4 -12.960 1.323 -5.906 24 HG3 MET 4 1HG MET 4 -12.235 0.027 -6.849 25 HE1 MET 4 1HE MET 4 -10.770 1.585 -4.470 26 HE2 MET 4 2HE MET 4 -9.160 1.782 -5.161 27 HE3 MET 4 3HE MET 4 -10.034 0.265 -5.377 28 H GLU 5 H GLU 5 -15.399 -0.891 -6.269 29 HA GLU 5 HA GLU 5 -16.819 0.903 -4.587 30 HB2 GLU 5 2HB GLU 5 -17.122 -1.162 -3.164 31 HB3 GLU 5 1HB GLU 5 -17.789 -1.278 -4.778 32 HG2 GLU 5 2HG GLU 5 -15.075 -2.397 -4.115 33 HG3 GLU 5 1HG GLU 5 -16.546 -3.312 -3.809 34 H LEU 6 H LEU 6 -16.201 1.442 -2.591 35 HA LEU 6 HA LEU 6 -13.347 1.571 -2.255 36 HB2 LEU 6 2HB LEU 6 -15.506 2.817 -0.563 37 HB3 LEU 6 1HB LEU 6 -13.777 3.008 -0.325 38 HG LEU 6 HG LEU 6 -15.293 3.920 -2.775 39 HD11 LEU 6 1HD1 LEU 6 -14.893 6.181 -1.939 40 HD12 LEU 6 2HD1 LEU 6 -14.173 5.513 -0.474 41 HD13 LEU 6 3HD1 LEU 6 -15.882 5.243 -0.820 42 HD21 LEU 6 1HD2 LEU 6 -12.976 3.353 -3.290 43 HD22 LEU 6 2HD2 LEU 6 -12.417 4.342 -1.943 44 HD23 LEU 6 3HD2 LEU 6 -13.202 5.101 -3.327 45 H ASP 7 H ASP 7 -12.769 -0.393 -1.856 46 HA ASP 7 HA ASP 7 -13.591 -1.752 0.603 47 HB2 ASP 7 2HB ASP 7 -13.487 -3.095 -1.469 48 HB3 ASP 7 1HB ASP 7 -11.835 -2.593 -1.740 49 H LEU 8 H LEU 8 -11.949 0.582 0.091 50 HA LEU 8 HA LEU 8 -9.700 0.124 1.912 51 HB2 LEU 8 2HB LEU 8 -9.538 1.503 -0.756 52 HB3 LEU 8 1HB LEU 8 -8.261 1.357 0.424 53 HG LEU 8 HG LEU 8 -9.503 -0.967 -1.060 54 HD11 LEU 8 1HD1 LEU 8 -8.314 0.524 -2.580 55 HD12 LEU 8 2HD1 LEU 8 -7.493 -1.021 -2.393 56 HD13 LEU 8 3HD1 LEU 8 -6.874 0.409 -1.563 57 HD21 LEU 8 1HD2 LEU 8 -8.549 -1.613 1.087 58 HD22 LEU 8 2HD2 LEU 8 -7.042 -0.795 0.681 59 HD23 LEU 8 3HD2 LEU 8 -7.547 -2.216 -0.235 60 H GLN 9 H GLN 9 -9.321 2.013 3.181 61 HA GLN 9 HA GLN 9 -10.570 4.513 2.398 62 HB2 GLN 9 2HB GLN 9 -10.884 3.123 5.059 63 HB3 GLN 9 1HB GLN 9 -11.154 4.837 4.867 64 HG2 GLN 9 2HG GLN 9 -12.677 2.718 3.362 65 HG3 GLN 9 1HG GLN 9 -13.241 3.497 4.841 66 HE21 GLN 9 1HE2 GLN 9 -12.575 3.937 1.460 67 HE22 GLN 9 2HE2 GLN 9 -13.444 5.436 1.307 68 HA PRO 10 HA PRO 10 -6.617 5.938 3.728 69 HB2 PRO 10 2HB PRO 10 -7.330 8.518 4.590 70 HB3 PRO 10 1HB PRO 10 -6.846 8.052 2.965 71 HG2 PRO 10 2HG PRO 10 -9.428 8.882 3.760 72 HG3 PRO 10 1HG PRO 10 -8.898 8.328 2.166 73 HD2 PRO 10 2HD PRO 10 -10.424 6.875 4.202 74 HD3 PRO 10 1HD PRO 10 -10.241 6.494 2.501 75 H GLY 11 H GLY 11 -5.406 5.825 5.470 76 HA2 GLY 11 2HA GLY 11 -4.870 6.153 7.757 77 HA3 GLY 11 1HA GLY 11 -6.592 6.249 8.119 78 H ASP 12 H ASP 12 -6.354 3.838 5.999 79 HA ASP 12 HA ASP 12 -6.753 1.820 8.023 80 HB2 ASP 12 2HB ASP 12 -8.049 2.102 5.787 81 HB3 ASP 12 1HB ASP 12 -6.618 1.437 5.079 82 H VAL 13 H VAL 13 -5.671 -0.160 8.010 83 HA VAL 13 HA VAL 13 -2.890 -0.005 7.143 84 HB VAL 13 HB VAL 13 -3.104 -0.129 9.572 85 HG11 VAL 13 1HG1 VAL 13 -4.591 -2.712 9.199 86 HG12 VAL 13 2HG1 VAL 13 -5.234 -1.202 9.844 87 HG13 VAL 13 3HG1 VAL 13 -4.005 -2.091 10.742 88 HG21 VAL 13 1HG2 VAL 13 -1.157 -1.194 8.599 89 HG22 VAL 13 2HG2 VAL 13 -2.048 -2.703 8.406 90 HG23 VAL 13 3HG2 VAL 13 -1.680 -2.100 10.021 91 H VAL 14 H VAL 14 -2.439 -1.175 5.474 92 HA VAL 14 HA VAL 14 -4.130 -3.507 4.837 93 HB VAL 14 HB VAL 14 -4.125 -2.798 2.478 94 HG11 VAL 14 1HG1 VAL 14 -6.017 -2.151 3.956 95 HG12 VAL 14 2HG1 VAL 14 -5.743 -1.006 2.648 96 HG13 VAL 14 3HG1 VAL 14 -5.192 -0.630 4.277 97 HG21 VAL 14 1HG2 VAL 14 -2.853 -0.266 3.517 98 HG22 VAL 14 2HG2 VAL 14 -3.437 -0.517 1.873 99 HG23 VAL 14 3HG2 VAL 14 -2.082 -1.470 2.487 100 H LYS 15 H LYS 15 -3.197 -4.659 2.938 101 HA LYS 15 HA LYS 15 -0.275 -4.776 3.033 102 HB2 LYS 15 2HB LYS 15 -0.703 -7.127 2.121 103 HB3 LYS 15 1HB LYS 15 -1.053 -6.885 3.821 104 HG2 LYS 15 2HG LYS 15 -3.404 -6.700 3.343 105 HG3 LYS 15 1HG LYS 15 -3.105 -6.816 1.617 106 HD2 LYS 15 2HD LYS 15 -2.212 -9.041 1.939 107 HD3 LYS 15 1HD LYS 15 -2.518 -8.945 3.682 108 HE2 LYS 15 2HE LYS 15 -4.925 -8.595 3.180 109 HE3 LYS 15 1HE LYS 15 -4.571 -8.810 1.472 110 HZ1 LYS 15 1HZ LYS 15 -5.481 -10.751 2.460 111 HZ2 LYS 15 2HZ LYS 15 -4.453 -10.869 3.621 112 HZ3 LYS 15 3HZ LYS 15 -3.923 -11.194 2.000 113 H VAL 16 H VAL 16 0.699 -4.342 1.200 114 HA VAL 16 HA VAL 16 -0.928 -4.202 -1.245 115 HB VAL 16 HB VAL 16 1.161 -2.189 -0.378 116 HG11 VAL 16 1HG1 VAL 16 -0.565 -2.251 -2.859 117 HG12 VAL 16 2HG1 VAL 16 1.171 -2.545 -2.798 118 HG13 VAL 16 3HG1 VAL 16 0.537 -0.949 -2.406 119 HG21 VAL 16 1HG2 VAL 16 -1.767 -1.799 -0.810 120 HG22 VAL 16 2HG2 VAL 16 -0.626 -0.615 -0.130 121 HG23 VAL 16 3HG2 VAL 16 -1.044 -2.075 0.764 122 H LEU 17 H LEU 17 -0.026 -5.177 -2.860 123 HA LEU 17 HA LEU 17 2.644 -6.163 -2.472 124 HB2 LEU 17 2HB LEU 17 1.008 -7.778 -3.212 125 HB3 LEU 17 1HB LEU 17 0.589 -6.893 -4.630 126 HG LEU 17 HG LEU 17 3.309 -8.179 -4.157 127 HD11 LEU 17 1HD1 LEU 17 0.921 -9.235 -5.666 128 HD12 LEU 17 2HD1 LEU 17 1.549 -9.865 -4.143 129 HD13 LEU 17 3HD1 LEU 17 2.518 -9.980 -5.613 130 HD21 LEU 17 1HD2 LEU 17 3.315 -6.425 -5.889 131 HD22 LEU 17 2HD2 LEU 17 1.987 -7.244 -6.713 132 HD23 LEU 17 3HD2 LEU 17 3.562 -8.025 -6.586 133 H GLU 18 H GLU 18 3.841 -4.503 -2.579 134 HA GLU 18 HA GLU 18 3.757 -2.304 -4.306 135 HB2 GLU 18 2HB GLU 18 4.917 -2.227 -2.184 136 HB3 GLU 18 1HB GLU 18 6.006 -3.506 -2.681 137 HG2 GLU 18 2HG GLU 18 7.045 -2.033 -4.294 138 HG3 GLU 18 1HG GLU 18 5.921 -0.741 -3.898 139 H SER 19 H SER 19 5.891 -5.100 -4.348 140 HA SER 19 HA SER 19 6.034 -4.928 -7.227 141 HB2 SER 19 2HB SER 19 8.393 -4.755 -5.365 142 HB3 SER 19 1HB SER 19 8.564 -5.162 -7.088 143 HG SER 19 HG SER 19 7.061 -2.916 -6.478 144 H ALA 20 H ALA 20 6.619 -6.911 -8.197 145 HA ALA 20 HA ALA 20 5.642 -9.178 -6.832 146 HB1 ALA 20 1HB ALA 20 6.175 -10.409 -8.859 147 HB2 ALA 20 2HB ALA 20 7.167 -9.068 -9.431 148 HB3 ALA 20 3HB ALA 20 5.425 -8.861 -9.254 149 H ALA 21 H ALA 21 8.758 -7.827 -6.932 150 HA ALA 21 HA ALA 21 10.113 -10.322 -6.306 151 HB1 ALA 21 1HB ALA 21 12.152 -8.968 -6.315 152 HB2 ALA 21 2HB ALA 21 11.185 -7.504 -6.479 153 HB3 ALA 21 3HB ALA 21 11.209 -8.694 -7.780 154 H LEU 22 H LEU 22 8.167 -8.472 -4.610 155 HA LEU 22 HA LEU 22 9.646 -8.842 -2.100 156 HB2 LEU 22 2HB LEU 22 7.972 -6.434 -2.833 157 HB3 LEU 22 1HB LEU 22 8.615 -6.750 -1.237 158 HG LEU 22 HG LEU 22 10.277 -6.221 -3.708 159 HD11 LEU 22 1HD1 LEU 22 10.781 -4.084 -2.648 160 HD12 LEU 22 2HD1 LEU 22 9.659 -4.465 -1.344 161 HD13 LEU 22 3HD1 LEU 22 9.058 -4.244 -2.987 162 HD21 LEU 22 1HD2 LEU 22 12.143 -6.032 -2.119 163 HD22 LEU 22 2HD2 LEU 22 11.444 -7.649 -2.116 164 HD23 LEU 22 3HD2 LEU 22 11.070 -6.523 -0.808 165 H GLY 23 H GLY 23 6.480 -8.197 -3.577 166 HA2 GLY 23 2HA GLY 23 4.628 -9.691 -3.246 167 HA3 GLY 23 1HA GLY 23 5.360 -10.153 -1.719 168 H TRP 24 H TRP 24 3.335 -9.757 -0.825 169 HA TRP 24 HA TRP 24 2.208 -7.159 -0.670 170 HB2 TRP 24 2HB TRP 24 1.757 -9.630 1.016 171 HB3 TRP 24 1HB TRP 24 0.789 -8.167 1.091 172 HD1 TRP 24 HD1 TRP 24 1.347 -11.280 -1.050 173 HE1 TRP 24 HE1 TRP 24 -0.558 -11.425 -2.794 174 HE3 TRP 24 HE3 TRP 24 -0.786 -6.715 -0.296 175 HZ2 TRP 24 HZ2 TRP 24 -2.728 -9.740 -3.722 176 HZ3 TRP 24 HZ3 TRP 24 -2.704 -6.086 -1.648 177 HH2 TRP 24 HH2 TRP 24 -3.624 -7.549 -3.308 178 H VAL 25 H VAL 25 3.152 -5.576 0.353 179 HA VAL 25 HA VAL 25 4.648 -6.110 2.813 180 HB VAL 25 HB VAL 25 5.696 -3.847 2.476 181 HG11 VAL 25 1HG1 VAL 25 6.865 -5.819 1.663 182 HG12 VAL 25 2HG1 VAL 25 7.149 -4.442 0.599 183 HG13 VAL 25 3HG1 VAL 25 6.015 -5.707 0.123 184 HG21 VAL 25 1HG2 VAL 25 3.912 -2.800 1.168 185 HG22 VAL 25 2HG2 VAL 25 4.250 -3.885 -0.180 186 HG23 VAL 25 3HG2 VAL 25 5.456 -2.700 0.320 187 H ARG 26 H ARG 26 4.244 -4.698 4.605 188 HA ARG 26 HA ARG 26 1.467 -4.113 4.867 189 HB2 ARG 26 2HB ARG 26 2.870 -4.864 6.784 190 HB3 ARG 26 1HB ARG 26 3.717 -3.319 6.743 191 HG2 ARG 26 2HG ARG 26 1.623 -2.159 7.241 192 HG3 ARG 26 1HG ARG 26 0.769 -3.698 7.266 193 HD2 ARG 26 2HD ARG 26 1.197 -3.078 9.527 194 HD3 ARG 26 1HD ARG 26 2.279 -4.409 9.133 195 HE ARG 26 HE ARG 26 3.713 -2.095 8.637 196 HH11 ARG 26 1HH1 ARG 26 2.270 -3.694 11.439 197 HH12 ARG 26 2HH1 ARG 26 3.237 -2.892 12.596 198 HH21 ARG 26 1HH2 ARG 26 4.975 -0.938 10.168 199 HH22 ARG 26 2HH2 ARG 26 4.874 -1.254 11.835 200 H ALA 27 H ALA 27 0.433 -2.248 4.605 201 HA ALA 27 HA ALA 27 1.974 0.193 4.256 202 HB1 ALA 27 1HB ALA 27 1.728 -0.784 2.018 203 HB2 ALA 27 2HB ALA 27 0.834 0.726 2.189 204 HB3 ALA 27 3HB ALA 27 -0.021 -0.816 2.240 205 H ARG 28 H ARG 28 0.479 2.039 4.019 206 HA ARG 28 HA ARG 28 -2.035 1.602 5.410 207 HB2 ARG 28 2HB ARG 28 -1.731 3.759 6.651 208 HB3 ARG 28 1HB ARG 28 -0.598 2.527 7.158 209 HG2 ARG 28 2HG ARG 28 0.514 4.227 5.076 210 HG3 ARG 28 1HG ARG 28 -0.006 5.156 6.482 211 HD2 ARG 28 2HD ARG 28 2.352 4.443 6.671 212 HD3 ARG 28 1HD ARG 28 1.353 3.739 7.944 213 HE ARG 28 HE ARG 28 1.535 2.093 5.665 214 HH11 ARG 28 1HH1 ARG 28 3.485 2.994 8.509 215 HH12 ARG 28 2HH1 ARG 28 4.249 1.464 8.605 216 HH21 ARG 28 1HH2 ARG 28 2.595 -0.008 5.871 217 HH22 ARG 28 2HH2 ARG 28 3.730 -0.232 7.101 218 H VAL 29 H VAL 29 -3.667 2.634 4.560 219 HA VAL 29 HA VAL 29 -3.221 3.780 1.939 220 HB VAL 29 HB VAL 29 -5.796 3.563 3.540 221 HG11 VAL 29 1HG1 VAL 29 -5.313 4.041 0.585 222 HG12 VAL 29 2HG1 VAL 29 -5.862 5.252 1.742 223 HG13 VAL 29 3HG1 VAL 29 -6.891 3.872 1.355 224 HG21 VAL 29 1HG2 VAL 29 -4.834 1.367 3.102 225 HG22 VAL 29 2HG2 VAL 29 -4.725 1.745 1.384 226 HG23 VAL 29 3HG2 VAL 29 -6.302 1.619 2.161 227 H ILE 30 H ILE 30 -2.606 5.695 1.628 228 HA ILE 30 HA ILE 30 -2.998 7.756 3.673 229 HB ILE 30 HB ILE 30 -1.670 7.908 0.956 230 HG12 ILE 30 2HG1 ILE 30 -0.432 6.327 2.348 231 HG13 ILE 30 1HG1 ILE 30 0.490 7.810 2.151 232 HG21 ILE 30 1HG2 ILE 30 -0.640 9.973 1.800 233 HG22 ILE 30 2HG2 ILE 30 -1.547 9.804 3.303 234 HG23 ILE 30 3HG2 ILE 30 -2.402 10.076 1.786 235 HD11 ILE 30 1HD1 ILE 30 -0.194 8.520 4.395 236 HD12 ILE 30 2HD1 ILE 30 0.660 6.979 4.416 237 HD13 ILE 30 3HD1 ILE 30 -1.094 7.014 4.589 238 H ARG 31 H ARG 31 -4.057 7.072 0.385 239 HA ARG 31 HA ARG 31 -6.305 8.652 1.035 240 HB2 ARG 31 2HB ARG 31 -5.326 10.386 0.187 241 HB3 ARG 31 1HB ARG 31 -4.059 9.354 0.139 242 HG2 ARG 31 2HG ARG 31 -4.222 8.543 -2.024 243 HG3 ARG 31 1HG ARG 31 -5.729 9.389 -2.292 244 HD2 ARG 31 2HD ARG 31 -3.924 10.485 -3.360 245 HD3 ARG 31 1HD ARG 31 -4.555 11.544 -2.085 246 HE ARG 31 HE ARG 31 -2.070 9.910 -1.727 247 HH11 ARG 31 1HH1 ARG 31 -3.766 13.002 -1.159 248 HH12 ARG 31 2HH1 ARG 31 -2.430 13.700 -0.367 249 HH21 ARG 31 1HH2 ARG 31 -0.219 10.940 -0.609 250 HH22 ARG 31 2HH2 ARG 31 -0.387 12.481 -0.056 251 H VAL 32 H VAL 32 -7.767 8.384 -0.443 252 HA VAL 32 HA VAL 32 -7.472 6.061 -2.154 253 HB VAL 32 HB VAL 32 -9.941 5.790 -1.987 254 HG11 VAL 32 1HG1 VAL 32 -9.831 4.614 0.200 255 HG12 VAL 32 2HG1 VAL 32 -8.329 5.469 0.550 256 HG13 VAL 32 3HG1 VAL 32 -8.398 4.317 -0.785 257 HG21 VAL 32 1HG2 VAL 32 -11.072 6.695 0.028 258 HG22 VAL 32 2HG2 VAL 32 -10.580 7.949 -1.112 259 HG23 VAL 32 3HG2 VAL 32 -9.636 7.669 0.348 260 H LYS 33 H LYS 33 -7.144 6.582 -4.086 261 HA LYS 33 HA LYS 33 -8.992 8.353 -5.428 262 HB2 LYS 33 2HB LYS 33 -6.278 7.376 -5.643 263 HB3 LYS 33 1HB LYS 33 -6.996 7.871 -7.149 264 HG2 LYS 33 2HG LYS 33 -7.186 10.142 -6.290 265 HG3 LYS 33 1HG LYS 33 -6.771 9.595 -4.658 266 HD2 LYS 33 2HD LYS 33 -4.625 9.078 -5.243 267 HD3 LYS 33 1HD LYS 33 -4.961 9.067 -6.921 268 HE2 LYS 33 2HE LYS 33 -5.343 11.573 -6.835 269 HE3 LYS 33 1HE LYS 33 -4.912 11.536 -5.127 270 HZ1 LYS 33 1HZ LYS 33 -3.046 12.246 -6.484 271 HZ2 LYS 33 2HZ LYS 33 -3.128 10.840 -7.399 272 HZ3 LYS 33 3HZ LYS 33 -2.682 10.752 -5.775 273 H SER 34 H SER 34 -9.417 7.308 -7.696 274 HA SER 34 HA SER 34 -10.062 4.646 -6.933 275 HB2 SER 34 2HB SER 34 -11.971 6.123 -7.397 276 HB3 SER 34 1HB SER 34 -11.407 6.346 -9.048 277 HG SER 34 HG SER 34 -12.512 4.081 -7.821 278 H GLY 35 H GLY 35 -10.304 3.019 -8.733 279 HA2 GLY 35 2HA GLY 35 -9.567 1.835 -10.552 280 HA3 GLY 35 1HA GLY 35 -8.732 3.279 -11.113 281 H GLY 36 H GLY 36 -6.717 3.689 -10.439 282 HA2 GLY 36 2HA GLY 36 -5.434 1.806 -8.726 283 HA3 GLY 36 1HA GLY 36 -4.787 1.862 -10.385 284 H ARG 37 H ARG 37 -6.127 4.543 -8.472 285 HA ARG 37 HA ARG 37 -3.579 5.760 -8.600 286 HB2 ARG 37 2HB ARG 37 -6.347 6.463 -8.946 287 HB3 ARG 37 1HB ARG 37 -5.363 7.614 -8.065 288 HG2 ARG 37 2HG ARG 37 -4.732 6.481 -10.781 289 HG3 ARG 37 1HG ARG 37 -5.421 8.087 -10.492 290 HD2 ARG 37 2HD ARG 37 -3.558 8.706 -9.203 291 HD3 ARG 37 1HD ARG 37 -2.782 7.208 -9.283 292 HE ARG 37 HE ARG 37 -3.170 8.986 -11.603 293 HH11 ARG 37 1HH1 ARG 37 -1.478 6.220 -10.103 294 HH12 ARG 37 2HH1 ARG 37 -0.318 6.075 -11.311 295 HH21 ARG 37 1HH2 ARG 37 -1.508 8.789 -13.309 296 HH22 ARG 37 2HH2 ARG 37 -0.323 7.583 -13.184 297 H VAL 38 H VAL 38 -4.668 3.910 -6.734 298 HA VAL 38 HA VAL 38 -5.387 5.321 -4.302 299 HB VAL 38 HB VAL 38 -4.370 2.526 -4.339 300 HG11 VAL 38 1HG1 VAL 38 -6.364 3.891 -2.550 301 HG12 VAL 38 2HG1 VAL 38 -4.697 3.475 -2.162 302 HG13 VAL 38 3HG1 VAL 38 -5.886 2.197 -2.424 303 HG21 VAL 38 1HG2 VAL 38 -6.057 2.554 -6.092 304 HG22 VAL 38 2HG2 VAL 38 -7.204 3.338 -5.009 305 HG23 VAL 38 3HG2 VAL 38 -6.686 1.681 -4.694 306 H VAL 39 H VAL 39 -4.037 6.122 -2.986 307 HA VAL 39 HA VAL 39 -1.198 5.556 -3.431 308 HB VAL 39 HB VAL 39 -2.338 8.077 -2.183 309 HG11 VAL 39 1HG1 VAL 39 0.430 7.389 -3.107 310 HG12 VAL 39 2HG1 VAL 39 -0.122 7.543 -1.436 311 HG13 VAL 39 3HG1 VAL 39 -0.100 8.958 -2.491 312 HG21 VAL 39 1HG2 VAL 39 -1.754 9.186 -4.277 313 HG22 VAL 39 2HG2 VAL 39 -2.937 7.904 -4.555 314 HG23 VAL 39 3HG2 VAL 39 -1.241 7.642 -4.957 315 H VAL 40 H VAL 40 -0.247 4.437 -2.031 316 HA VAL 40 HA VAL 40 -1.156 4.361 0.767 317 HB VAL 40 HB VAL 40 -0.620 1.900 0.734 318 HG11 VAL 40 1HG1 VAL 40 -2.720 2.745 -1.268 319 HG12 VAL 40 2HG1 VAL 40 -2.960 2.577 0.472 320 HG13 VAL 40 3HG1 VAL 40 -2.613 1.160 -0.512 321 HG21 VAL 40 1HG2 VAL 40 -0.467 0.768 -1.490 322 HG22 VAL 40 2HG2 VAL 40 0.904 1.814 -1.137 323 HG23 VAL 40 3HG2 VAL 40 -0.356 2.361 -2.239 324 H GLN 41 H GLN 41 0.525 4.030 2.241 325 HA GLN 41 HA GLN 41 3.254 4.205 1.115 326 HB2 GLN 41 2HB GLN 41 2.497 6.272 2.289 327 HB3 GLN 41 1HB GLN 41 2.260 5.318 3.738 328 HG2 GLN 41 2HG GLN 41 4.737 4.787 3.686 329 HG3 GLN 41 1HG GLN 41 4.870 5.918 2.355 330 HE21 GLN 41 1HE2 GLN 41 4.571 8.110 2.729 331 HE22 GLN 41 2HE2 GLN 41 4.614 8.766 4.318 332 H SER 42 H SER 42 4.588 2.675 1.667 333 HA SER 42 HA SER 42 3.734 0.634 3.591 334 HB2 SER 42 2HB SER 42 4.676 -0.051 1.337 335 HB3 SER 42 1HB SER 42 6.201 0.688 1.820 336 HG SER 42 HG SER 42 4.906 -1.487 3.073 337 H ASP 43 H ASP 43 5.659 -0.278 4.924 338 HA ASP 43 HA ASP 43 6.375 1.800 6.752 339 HB2 ASP 43 2HB ASP 43 7.173 -1.130 6.705 340 HB3 ASP 43 1HB ASP 43 7.680 -0.023 7.971 341 H GLN 44 H GLN 44 7.627 0.666 3.998 342 HA GLN 44 HA GLN 44 10.441 1.183 4.453 343 HB2 GLN 44 2HB GLN 44 8.987 0.736 1.853 344 HB3 GLN 44 1HB GLN 44 10.700 0.510 2.171 345 HG2 GLN 44 2HG GLN 44 10.232 -1.391 3.585 346 HG3 GLN 44 1HG GLN 44 8.496 -1.127 3.411 347 HE21 GLN 44 1HE2 GLN 44 7.546 -1.444 1.384 348 HE22 GLN 44 2HE2 GLN 44 8.275 -2.424 0.176 349 H GLY 45 H GLY 45 7.786 3.063 4.154 350 HA2 GLY 45 2HA GLY 45 7.568 5.296 4.028 351 HA3 GLY 45 1HA GLY 45 9.242 5.477 3.606 352 H ARG 46 H ARG 46 7.856 3.295 1.373 353 HA ARG 46 HA ARG 46 7.747 5.404 -0.495 354 HB2 ARG 46 2HB ARG 46 7.634 2.441 -0.633 355 HB3 ARG 46 1HB ARG 46 7.001 3.347 -1.981 356 HG2 ARG 46 2HG ARG 46 9.044 3.158 -2.713 357 HG3 ARG 46 1HG ARG 46 9.362 4.521 -1.640 358 HD2 ARG 46 2HD ARG 46 10.923 2.923 -1.352 359 HD3 ARG 46 1HD ARG 46 9.948 2.907 0.132 360 HE ARG 46 HE ARG 46 8.875 0.944 -1.505 361 HH11 ARG 46 1HH1 ARG 46 12.047 1.518 -0.043 362 HH12 ARG 46 2HH1 ARG 46 12.500 -0.134 -0.092 363 HH21 ARG 46 1HH2 ARG 46 9.490 -1.247 -1.572 364 HH22 ARG 46 2HH2 ARG 46 10.981 -1.760 -0.966 365 H GLU 47 H GLU 47 6.078 6.641 -0.566 366 HA GLU 47 HA GLU 47 3.401 5.521 -0.279 367 HB2 GLU 47 2HB GLU 47 4.082 7.745 0.829 368 HB3 GLU 47 1HB GLU 47 4.192 8.406 -0.800 369 HG2 GLU 47 2HG GLU 47 1.868 7.807 -1.189 370 HG3 GLU 47 1HG GLU 47 1.733 7.214 0.461 371 H PHE 48 H PHE 48 2.558 4.775 -2.084 372 HA PHE 48 HA PHE 48 3.308 6.019 -4.608 373 HB2 PHE 48 2HB PHE 48 3.762 3.810 -5.648 374 HB3 PHE 48 1HB PHE 48 4.924 4.248 -4.408 375 HD1 PHE 48 HD1 PHE 48 4.807 3.124 -2.176 376 HD2 PHE 48 HD2 PHE 48 2.455 1.837 -5.477 377 HE1 PHE 48 HE1 PHE 48 4.437 0.969 -1.061 378 HE2 PHE 48 HE2 PHE 48 2.079 -0.324 -4.360 379 HZ PHE 48 HZ PHE 48 3.067 -0.755 -2.151 380 H THR 49 H THR 49 2.036 5.304 -6.392 381 HA THR 49 HA THR 49 -0.720 4.932 -5.624 382 HB THR 49 HB THR 49 -0.484 6.795 -7.032 383 HG1 THR 49 HG1 THR 49 -1.657 4.631 -8.254 384 HG21 THR 49 1HG2 THR 49 1.229 5.154 -8.905 385 HG22 THR 49 2HG2 THR 49 1.773 6.470 -7.862 386 HG23 THR 49 3HG2 THR 49 0.692 6.805 -9.214 387 H ALA 50 H ALA 50 -1.311 2.977 -5.440 388 HA ALA 50 HA ALA 50 -0.233 0.889 -7.206 389 HB1 ALA 50 1HB ALA 50 0.181 0.563 -4.812 390 HB2 ALA 50 2HB ALA 50 -0.907 -0.668 -5.456 391 HB3 ALA 50 3HB ALA 50 -1.551 0.669 -4.500 392 H ARG 51 H ARG 51 -1.780 -0.756 -7.781 393 HA ARG 51 HA ARG 51 -4.231 0.430 -8.690 394 HB2 ARG 51 2HB ARG 51 -3.128 -2.367 -8.971 395 HB3 ARG 51 1HB ARG 51 -4.586 -1.785 -9.768 396 HG2 ARG 51 2HG ARG 51 -3.363 -0.259 -11.100 397 HG3 ARG 51 1HG ARG 51 -1.904 -0.487 -10.137 398 HD2 ARG 51 2HD ARG 51 -1.799 -2.828 -10.899 399 HD3 ARG 51 1HD ARG 51 -3.221 -2.548 -11.903 400 HE ARG 51 HE ARG 51 -1.975 -1.366 -13.374 401 HH11 ARG 51 1HH1 ARG 51 0.035 -1.972 -10.486 402 HH12 ARG 51 2HH1 ARG 51 1.509 -1.640 -11.239 403 HH21 ARG 51 1HH2 ARG 51 0.110 -0.882 -14.435 404 HH22 ARG 51 2HH2 ARG 51 1.558 -0.998 -13.555 405 H GLY 52 H GLY 52 -6.379 -0.412 -8.075 406 HA2 GLY 52 2HA GLY 52 -6.535 -1.077 -5.304 407 HA3 GLY 52 1HA GLY 52 -7.899 -1.013 -6.388 408 H ASN 53 H ASN 53 -5.608 -3.000 -7.626 409 HA ASN 53 HA ASN 53 -6.857 -5.430 -6.573 410 HB2 ASN 53 2HB ASN 53 -4.917 -5.061 -8.875 411 HB3 ASN 53 1HB ASN 53 -5.656 -6.585 -8.408 412 HD21 ASN 53 1HD2 ASN 53 -8.262 -5.288 -7.850 413 HD22 ASN 53 2HD2 ASN 53 -8.914 -4.968 -9.421 414 H GLN 54 H GLN 54 -4.125 -3.439 -6.396 415 HA GLN 54 HA GLN 54 -2.265 -5.488 -5.482 416 HB2 GLN 54 2HB GLN 54 -2.022 -2.598 -6.218 417 HB3 GLN 54 1HB GLN 54 -0.748 -3.379 -5.312 418 HG2 GLN 54 2HG GLN 54 -0.416 -4.958 -7.127 419 HG3 GLN 54 1HG GLN 54 -1.751 -4.223 -8.019 420 HE21 GLN 54 1HE2 GLN 54 1.464 -3.682 -6.761 421 HE22 GLN 54 2HE2 GLN 54 1.882 -2.393 -7.806 422 H VAL 55 H VAL 55 -4.551 -3.381 -4.215 423 HA VAL 55 HA VAL 55 -3.178 -3.331 -1.598 424 HB VAL 55 HB VAL 55 -5.480 -1.596 -2.396 425 HG11 VAL 55 1HG1 VAL 55 -5.168 -1.763 -0.059 426 HG12 VAL 55 2HG1 VAL 55 -4.752 -0.130 -0.568 427 HG13 VAL 55 3HG1 VAL 55 -3.480 -1.279 -0.172 428 HG21 VAL 55 1HG2 VAL 55 -2.569 -0.805 -2.671 429 HG22 VAL 55 2HG2 VAL 55 -3.933 0.302 -2.820 430 HG23 VAL 55 3HG2 VAL 55 -3.731 -1.008 -3.982 431 H ARG 56 H ARG 56 -4.118 -4.559 -0.132 432 HA ARG 56 HA ARG 56 -6.948 -5.095 -0.434 433 HB2 ARG 56 2HB ARG 56 -4.730 -6.998 0.238 434 HB3 ARG 56 1HB ARG 56 -6.453 -7.350 0.351 435 HG2 ARG 56 2HG ARG 56 -5.384 -6.318 -2.159 436 HG3 ARG 56 1HG ARG 56 -4.883 -7.930 -1.695 437 HD2 ARG 56 2HD ARG 56 -6.723 -7.778 -3.161 438 HD3 ARG 56 1HD ARG 56 -7.102 -8.690 -1.709 439 HE ARG 56 HE ARG 56 -8.586 -6.839 -1.086 440 HH11 ARG 56 1HH1 ARG 56 -7.074 -6.369 -4.245 441 HH12 ARG 56 2HH1 ARG 56 -8.096 -5.063 -4.686 442 HH21 ARG 56 1HH2 ARG 56 -10.054 -5.080 -1.743 443 HH22 ARG 56 2HH2 ARG 56 -9.868 -4.393 -3.256 444 H LEU 57 H LEU 57 -7.932 -4.944 1.437 445 HA LEU 57 HA LEU 57 -6.831 -3.822 3.764 446 HB2 LEU 57 2HB LEU 57 -8.916 -4.242 4.840 447 HB3 LEU 57 1HB LEU 57 -9.250 -3.782 3.185 448 HG LEU 57 HG LEU 57 -9.116 -6.608 4.058 449 HD11 LEU 57 1HD1 LEU 57 -10.840 -5.501 5.428 450 HD12 LEU 57 2HD1 LEU 57 -11.631 -6.535 4.238 451 HD13 LEU 57 3HD1 LEU 57 -11.556 -4.791 3.981 452 HD21 LEU 57 1HD2 LEU 57 -10.481 -5.296 1.706 453 HD22 LEU 57 2HD2 LEU 57 -10.634 -7.001 2.120 454 HD23 LEU 57 3HD2 LEU 57 -9.062 -6.346 1.668 455 H ILE 58 H ILE 58 -7.168 -4.969 5.985 456 HA ILE 58 HA ILE 58 -5.418 -7.199 5.952 457 HB ILE 58 HB ILE 58 -5.804 -7.298 8.443 458 HG12 ILE 58 2HG1 ILE 58 -7.094 -4.593 7.934 459 HG13 ILE 58 1HG1 ILE 58 -7.920 -6.031 8.522 460 HG21 ILE 58 1HG2 ILE 58 -4.576 -4.846 7.192 461 HG22 ILE 58 2HG2 ILE 58 -3.791 -6.400 7.475 462 HG23 ILE 58 3HG2 ILE 58 -4.270 -5.390 8.840 463 HD11 ILE 58 1HD1 ILE 58 -6.585 -5.956 10.567 464 HD12 ILE 58 2HD1 ILE 58 -7.473 -4.452 10.320 465 HD13 ILE 58 3HD1 ILE 58 -5.746 -4.527 9.966 466 H GLU 59 H GLU 59 -6.532 -8.566 4.763 467 HA GLU 59 HA GLU 59 -7.750 -10.665 6.251 468 HB2 GLU 59 2HB GLU 59 -9.639 -9.066 5.278 469 HB3 GLU 59 1HB GLU 59 -9.118 -9.659 3.716 470 HG2 GLU 59 2HG GLU 59 -10.193 -11.405 5.939 471 HG3 GLU 59 1HG GLU 59 -11.160 -10.765 4.625 Start of MODEL 14 1 H1 SER 1 1H SER 1 -17.873 -3.344 9.859 2 H2 SER 1 2H SER 1 -18.850 -4.055 11.101 3 H3 SER 1 3H SER 1 -19.538 -3.331 9.713 4 HA SER 1 HA SER 1 -17.867 -5.711 9.608 5 HB2 SER 1 2HB SER 1 -20.850 -5.340 9.202 6 HB3 SER 1 1HB SER 1 -19.959 -6.868 9.210 7 HG SER 1 HG SER 1 -20.827 -6.676 11.227 8 H ASN 2 H ASN 2 -17.151 -6.040 7.550 9 HA ASN 2 HA ASN 2 -16.621 -4.025 5.948 10 HB2 ASN 2 2HB ASN 2 -16.970 -6.868 5.042 11 HB3 ASN 2 1HB ASN 2 -16.158 -5.614 4.109 12 HD21 ASN 2 1HD2 ASN 2 -14.171 -4.753 4.915 13 HD22 ASN 2 2HD2 ASN 2 -13.239 -5.657 6.046 14 H ALA 3 H ALA 3 -18.013 -2.612 5.600 15 HA ALA 3 HA ALA 3 -19.650 -2.977 3.215 16 HB1 ALA 3 1HB ALA 3 -21.222 -3.144 5.104 17 HB2 ALA 3 2HB ALA 3 -21.488 -1.659 4.191 18 HB3 ALA 3 3HB ALA 3 -20.626 -1.607 5.729 19 H MET 4 H MET 4 -18.184 -0.873 5.563 20 HA MET 4 HA MET 4 -17.649 1.025 3.397 21 HB2 MET 4 2HB MET 4 -18.045 1.598 6.331 22 HB3 MET 4 1HB MET 4 -17.416 2.762 5.179 23 HG2 MET 4 2HG MET 4 -19.521 2.610 3.908 24 HG3 MET 4 1HG MET 4 -20.141 1.477 5.104 25 HE1 MET 4 1HE MET 4 -18.977 5.159 4.412 26 HE2 MET 4 2HE MET 4 -17.940 4.730 5.777 27 HE3 MET 4 3HE MET 4 -19.217 5.925 5.979 28 H GLU 5 H GLU 5 -16.456 -0.843 5.899 29 HA GLU 5 HA GLU 5 -13.809 0.213 5.642 30 HB2 GLU 5 2HB GLU 5 -13.131 -1.531 7.310 31 HB3 GLU 5 1HB GLU 5 -14.383 -0.462 7.895 32 HG2 GLU 5 2HG GLU 5 -14.956 -3.211 6.808 33 HG3 GLU 5 1HG GLU 5 -14.559 -2.920 8.489 34 H LEU 6 H LEU 6 -12.780 -0.187 3.913 35 HA LEU 6 HA LEU 6 -12.583 -2.830 2.690 36 HB2 LEU 6 2HB LEU 6 -13.181 -0.209 1.322 37 HB3 LEU 6 1HB LEU 6 -12.795 -1.728 0.541 38 HG LEU 6 HG LEU 6 -15.251 -1.251 2.201 39 HD11 LEU 6 1HD1 LEU 6 -15.299 0.117 0.167 40 HD12 LEU 6 2HD1 LEU 6 -16.460 -1.205 0.048 41 HD13 LEU 6 3HD1 LEU 6 -14.921 -1.303 -0.808 42 HD21 LEU 6 1HD2 LEU 6 -14.592 -3.585 2.134 43 HD22 LEU 6 2HD2 LEU 6 -14.483 -3.529 0.375 44 HD23 LEU 6 3HD2 LEU 6 -16.047 -3.342 1.168 45 H ASP 7 H ASP 7 -10.955 -3.032 1.582 46 HA ASP 7 HA ASP 7 -8.464 -2.323 2.613 47 HB2 ASP 7 2HB ASP 7 -8.972 -3.290 -0.205 48 HB3 ASP 7 1HB ASP 7 -7.648 -3.624 0.895 49 H LEU 8 H LEU 8 -9.753 0.103 1.945 50 HA LEU 8 HA LEU 8 -8.093 1.315 -0.110 51 HB2 LEU 8 2HB LEU 8 -10.393 -0.090 -0.751 52 HB3 LEU 8 1HB LEU 8 -10.802 1.605 -0.595 53 HG LEU 8 HG LEU 8 -10.380 1.009 -3.010 54 HD11 LEU 8 1HD1 LEU 8 -8.396 2.949 -1.878 55 HD12 LEU 8 2HD1 LEU 8 -10.066 3.283 -2.342 56 HD13 LEU 8 3HD1 LEU 8 -8.883 2.832 -3.572 57 HD21 LEU 8 1HD2 LEU 8 -7.557 0.484 -2.088 58 HD22 LEU 8 2HD2 LEU 8 -8.097 0.552 -3.766 59 HD23 LEU 8 3HD2 LEU 8 -8.700 -0.713 -2.696 60 H GLN 9 H GLN 9 -8.753 1.787 2.516 61 HA GLN 9 HA GLN 9 -10.210 4.328 2.319 62 HB2 GLN 9 2HB GLN 9 -9.771 2.669 4.782 63 HB3 GLN 9 1HB GLN 9 -10.513 4.247 4.798 64 HG2 GLN 9 2HG GLN 9 -11.612 1.858 3.327 65 HG3 GLN 9 1HG GLN 9 -12.198 2.465 4.876 66 HE21 GLN 9 1HE2 GLN 9 -11.932 3.124 1.472 67 HE22 GLN 9 2HE2 GLN 9 -13.135 4.352 1.426 68 HA PRO 10 HA PRO 10 -6.377 6.254 3.349 69 HB2 PRO 10 2HB PRO 10 -7.316 8.724 4.103 70 HB3 PRO 10 1HB PRO 10 -7.116 8.214 2.431 71 HG2 PRO 10 2HG PRO 10 -9.621 8.628 3.830 72 HG3 PRO 10 1HG PRO 10 -9.345 8.357 2.104 73 HD2 PRO 10 2HD PRO 10 -10.248 6.457 4.064 74 HD3 PRO 10 1HD PRO 10 -10.118 6.229 2.345 75 H GLY 11 H GLY 11 -5.324 5.686 5.067 76 HA2 GLY 11 2HA GLY 11 -4.717 6.042 7.369 77 HA3 GLY 11 1HA GLY 11 -6.431 6.215 7.747 78 H ASP 12 H ASP 12 -6.199 3.877 5.494 79 HA ASP 12 HA ASP 12 -6.906 1.762 7.284 80 HB2 ASP 12 2HB ASP 12 -7.714 2.164 4.807 81 HB3 ASP 12 1HB ASP 12 -6.157 1.503 4.407 82 H VAL 13 H VAL 13 -5.807 -0.245 7.382 83 HA VAL 13 HA VAL 13 -2.853 -0.046 7.132 84 HB VAL 13 HB VAL 13 -4.374 -1.651 9.229 85 HG11 VAL 13 1HG1 VAL 13 -2.246 -2.669 8.614 86 HG12 VAL 13 2HG1 VAL 13 -2.167 -2.014 10.250 87 HG13 VAL 13 3HG1 VAL 13 -1.413 -1.143 8.916 88 HG21 VAL 13 1HG2 VAL 13 -3.509 -0.041 10.877 89 HG22 VAL 13 2HG2 VAL 13 -4.559 0.740 9.693 90 HG23 VAL 13 3HG2 VAL 13 -2.809 0.910 9.567 91 H VAL 14 H VAL 14 -2.222 -1.232 5.533 92 HA VAL 14 HA VAL 14 -3.725 -3.669 4.885 93 HB VAL 14 HB VAL 14 -3.606 -3.010 2.496 94 HG11 VAL 14 1HG1 VAL 14 -5.449 -1.392 2.552 95 HG12 VAL 14 2HG1 VAL 14 -5.149 -1.125 4.269 96 HG13 VAL 14 3HG1 VAL 14 -5.685 -2.706 3.701 97 HG21 VAL 14 1HG2 VAL 14 -2.789 -0.320 3.599 98 HG22 VAL 14 2HG2 VAL 14 -3.228 -0.645 1.922 99 HG23 VAL 14 3HG2 VAL 14 -1.792 -1.396 2.620 100 H LYS 15 H LYS 15 -2.654 -4.714 3.017 101 HA LYS 15 HA LYS 15 0.246 -4.487 3.009 102 HB2 LYS 15 2HB LYS 15 0.126 -6.923 2.335 103 HB3 LYS 15 1HB LYS 15 -0.262 -6.609 4.016 104 HG2 LYS 15 2HG LYS 15 -2.612 -6.783 3.548 105 HG3 LYS 15 1HG LYS 15 -2.292 -6.970 1.831 106 HD2 LYS 15 2HD LYS 15 -1.102 -8.999 2.280 107 HD3 LYS 15 1HD LYS 15 -1.425 -8.854 4.019 108 HE2 LYS 15 2HE LYS 15 -3.849 -8.881 3.516 109 HE3 LYS 15 1HE LYS 15 -3.473 -9.116 1.814 110 HZ1 LYS 15 1HZ LYS 15 -2.454 -11.322 2.423 111 HZ2 LYS 15 2HZ LYS 15 -4.076 -11.157 2.978 112 HZ3 LYS 15 3HZ LYS 15 -2.923 -11.034 4.032 113 H VAL 16 H VAL 16 1.046 -4.278 1.004 114 HA VAL 16 HA VAL 16 -0.876 -4.294 -1.213 115 HB VAL 16 HB VAL 16 1.326 -2.276 -0.762 116 HG11 VAL 16 1HG1 VAL 16 1.042 -2.743 -3.138 117 HG12 VAL 16 2HG1 VAL 16 0.443 -1.129 -2.757 118 HG13 VAL 16 3HG1 VAL 16 -0.693 -2.454 -3.002 119 HG21 VAL 16 1HG2 VAL 16 -1.657 -1.880 -0.756 120 HG22 VAL 16 2HG2 VAL 16 -0.439 -0.633 -0.443 121 HG23 VAL 16 3HG2 VAL 16 -0.649 -1.974 0.679 122 H LEU 17 H LEU 17 -0.291 -5.425 -2.792 123 HA LEU 17 HA LEU 17 2.346 -6.638 -2.914 124 HB2 LEU 17 2HB LEU 17 0.429 -8.062 -3.312 125 HB3 LEU 17 1HB LEU 17 -0.154 -7.038 -4.583 126 HG LEU 17 HG LEU 17 2.070 -7.698 -5.792 127 HD11 LEU 17 1HD1 LEU 17 1.914 -9.886 -3.777 128 HD12 LEU 17 2HD1 LEU 17 3.115 -8.602 -3.868 129 HD13 LEU 17 3HD1 LEU 17 3.003 -9.793 -5.172 130 HD21 LEU 17 1HD2 LEU 17 1.035 -9.722 -6.681 131 HD22 LEU 17 2HD2 LEU 17 -0.146 -8.420 -6.524 132 HD23 LEU 17 3HD2 LEU 17 -0.112 -9.730 -5.341 133 H GLU 18 H GLU 18 3.529 -4.848 -3.348 134 HA GLU 18 HA GLU 18 2.989 -2.922 -5.341 135 HB2 GLU 18 2HB GLU 18 4.481 -2.566 -3.412 136 HB3 GLU 18 1HB GLU 18 5.631 -3.693 -4.111 137 HG2 GLU 18 2HG GLU 18 5.801 -2.196 -6.084 138 HG3 GLU 18 1HG GLU 18 4.786 -1.037 -5.227 139 H SER 19 H SER 19 5.383 -5.484 -5.200 140 HA SER 19 HA SER 19 5.388 -5.631 -8.121 141 HB2 SER 19 2HB SER 19 7.387 -4.393 -7.303 142 HB3 SER 19 1HB SER 19 7.741 -5.770 -6.272 143 HG SER 19 HG SER 19 8.550 -5.408 -8.701 144 H ALA 20 H ALA 20 5.961 -7.733 -8.877 145 HA ALA 20 HA ALA 20 5.033 -9.871 -7.235 146 HB1 ALA 20 1HB ALA 20 5.608 -11.298 -9.150 147 HB2 ALA 20 2HB ALA 20 6.460 -9.949 -9.901 148 HB3 ALA 20 3HB ALA 20 4.713 -9.869 -9.672 149 H ALA 21 H ALA 21 8.041 -8.342 -7.753 150 HA ALA 21 HA ALA 21 9.592 -10.604 -6.786 151 HB1 ALA 21 1HB ALA 21 11.542 -9.209 -7.238 152 HB2 ALA 21 2HB ALA 21 10.489 -7.842 -7.604 153 HB3 ALA 21 3HB ALA 21 10.476 -9.268 -8.643 154 H LEU 22 H LEU 22 7.952 -7.943 -5.509 155 HA LEU 22 HA LEU 22 9.641 -7.969 -3.094 156 HB2 LEU 22 2HB LEU 22 7.630 -5.898 -3.980 157 HB3 LEU 22 1HB LEU 22 8.519 -5.845 -2.475 158 HG LEU 22 HG LEU 22 9.726 -5.657 -5.239 159 HD11 LEU 22 1HD1 LEU 22 10.217 -3.349 -4.613 160 HD12 LEU 22 2HD1 LEU 22 9.357 -3.580 -3.090 161 HD13 LEU 22 3HD1 LEU 22 8.482 -3.665 -4.619 162 HD21 LEU 22 1HD2 LEU 22 11.260 -6.746 -3.687 163 HD22 LEU 22 2HD2 LEU 22 11.012 -5.455 -2.513 164 HD23 LEU 22 3HD2 LEU 22 11.811 -5.110 -4.047 165 H GLY 23 H GLY 23 6.326 -8.233 -4.233 166 HA2 GLY 23 2HA GLY 23 4.698 -9.557 -3.363 167 HA3 GLY 23 1HA GLY 23 5.685 -9.872 -1.944 168 H TRP 24 H TRP 24 3.413 -9.559 -1.169 169 HA TRP 24 HA TRP 24 2.235 -7.091 -0.750 170 HB2 TRP 24 2HB TRP 24 2.255 -9.558 0.985 171 HB3 TRP 24 1HB TRP 24 1.160 -8.200 1.186 172 HD1 TRP 24 HD1 TRP 24 1.721 -11.306 -0.923 173 HE1 TRP 24 HE1 TRP 24 -0.358 -11.672 -2.428 174 HE3 TRP 24 HE3 TRP 24 -0.641 -6.902 -0.073 175 HZ2 TRP 24 HZ2 TRP 24 -2.745 -10.206 -3.144 176 HZ3 TRP 24 HZ3 TRP 24 -2.762 -6.448 -1.197 177 HH2 TRP 24 HH2 TRP 24 -3.775 -8.071 -2.703 178 H VAL 25 H VAL 25 3.354 -5.422 0.022 179 HA VAL 25 HA VAL 25 5.038 -5.751 2.399 180 HB VAL 25 HB VAL 25 5.794 -3.375 1.959 181 HG11 VAL 25 1HG1 VAL 25 7.112 -3.839 -0.046 182 HG12 VAL 25 2HG1 VAL 25 6.085 -5.228 -0.402 183 HG13 VAL 25 3HG1 VAL 25 7.090 -5.224 1.046 184 HG21 VAL 25 1HG2 VAL 25 3.783 -2.555 0.816 185 HG22 VAL 25 2HG2 VAL 25 4.118 -3.618 -0.550 186 HG23 VAL 25 3HG2 VAL 25 5.222 -2.296 -0.172 187 H ARG 26 H ARG 26 4.575 -4.578 4.303 188 HA ARG 26 HA ARG 26 1.805 -4.020 4.778 189 HB2 ARG 26 2HB ARG 26 3.435 -4.681 6.599 190 HB3 ARG 26 1HB ARG 26 4.174 -3.094 6.447 191 HG2 ARG 26 2HG ARG 26 1.843 -2.152 6.927 192 HG3 ARG 26 1HG ARG 26 1.412 -3.783 7.425 193 HD2 ARG 26 2HD ARG 26 3.591 -2.058 8.600 194 HD3 ARG 26 1HD ARG 26 2.037 -2.413 9.338 195 HE ARG 26 HE ARG 26 2.977 -4.840 9.109 196 HH11 ARG 26 1HH1 ARG 26 4.743 -1.886 10.080 197 HH12 ARG 26 2HH1 ARG 26 5.800 -2.629 11.121 198 HH21 ARG 26 1HH2 ARG 26 4.465 -5.948 10.663 199 HH22 ARG 26 2HH2 ARG 26 5.621 -5.013 11.496 200 H ALA 27 H ALA 27 0.745 -2.091 4.730 201 HA ALA 27 HA ALA 27 2.209 0.341 4.210 202 HB1 ALA 27 1HB ALA 27 1.987 -0.683 1.985 203 HB2 ALA 27 2HB ALA 27 1.022 0.784 2.140 204 HB3 ALA 27 3HB ALA 27 0.243 -0.796 2.226 205 H ARG 28 H ARG 28 0.634 2.096 3.943 206 HA ARG 28 HA ARG 28 -1.951 1.552 5.095 207 HB2 ARG 28 2HB ARG 28 -1.889 3.431 6.644 208 HB3 ARG 28 1HB ARG 28 -0.551 2.379 7.025 209 HG2 ARG 28 2HG ARG 28 -0.264 4.923 5.424 210 HG3 ARG 28 1HG ARG 28 -0.135 4.868 7.174 211 HD2 ARG 28 2HD ARG 28 1.632 3.397 5.211 212 HD3 ARG 28 1HD ARG 28 2.056 4.878 6.061 213 HE ARG 28 HE ARG 28 1.385 2.507 7.627 214 HH11 ARG 28 1HH1 ARG 28 3.880 4.864 6.605 215 HH12 ARG 28 2HH1 ARG 28 5.093 4.191 7.587 216 HH21 ARG 28 1HH2 ARG 28 3.178 1.598 9.035 217 HH22 ARG 28 2HH2 ARG 28 4.673 2.330 8.976 218 H VAL 29 H VAL 29 -3.468 2.456 4.028 219 HA VAL 29 HA VAL 29 -2.812 3.857 1.556 220 HB VAL 29 HB VAL 29 -5.506 3.547 2.856 221 HG11 VAL 29 1HG1 VAL 29 -4.726 3.940 -0.041 222 HG12 VAL 29 2HG1 VAL 29 -5.447 5.147 1.022 223 HG13 VAL 29 3HG1 VAL 29 -6.376 3.725 0.544 224 HG21 VAL 29 1HG2 VAL 29 -4.221 1.579 0.952 225 HG22 VAL 29 2HG2 VAL 29 -5.886 1.523 1.517 226 HG23 VAL 29 3HG2 VAL 29 -4.561 1.319 2.661 227 H ILE 30 H ILE 30 -2.417 5.819 1.359 228 HA ILE 30 HA ILE 30 -2.960 7.641 3.598 229 HB ILE 30 HB ILE 30 -1.431 8.090 1.023 230 HG12 ILE 30 2HG1 ILE 30 -0.282 6.445 2.417 231 HG13 ILE 30 1HG1 ILE 30 0.612 7.959 2.373 232 HG21 ILE 30 1HG2 ILE 30 -2.315 10.167 1.939 233 HG22 ILE 30 2HG2 ILE 30 -0.560 10.115 2.110 234 HG23 ILE 30 3HG2 ILE 30 -1.591 9.802 3.506 235 HD11 ILE 30 1HD1 ILE 30 -0.266 8.526 4.593 236 HD12 ILE 30 2HD1 ILE 30 0.628 7.007 4.601 237 HD13 ILE 30 3HD1 ILE 30 -1.135 6.990 4.634 238 H ARG 31 H ARG 31 -3.829 7.237 0.211 239 HA ARG 31 HA ARG 31 -5.999 8.916 0.862 240 HB2 ARG 31 2HB ARG 31 -4.873 10.607 0.176 241 HB3 ARG 31 1HB ARG 31 -3.672 9.474 0.031 242 HG2 ARG 31 2HG ARG 31 -3.943 8.894 -2.201 243 HG3 ARG 31 1HG ARG 31 -5.393 9.854 -2.324 244 HD2 ARG 31 2HD ARG 31 -3.530 10.924 -3.368 245 HD3 ARG 31 1HD ARG 31 -4.070 11.910 -1.996 246 HE ARG 31 HE ARG 31 -1.621 10.194 -2.001 247 HH11 ARG 31 1HH1 ARG 31 -3.353 12.974 -0.596 248 HH12 ARG 31 2HH1 ARG 31 -2.004 13.485 0.314 249 HH21 ARG 31 1HH2 ARG 31 0.247 10.954 -0.705 250 HH22 ARG 31 2HH2 ARG 31 0.067 12.285 0.248 251 H VAL 32 H VAL 32 -7.448 8.636 -0.353 252 HA VAL 32 HA VAL 32 -7.428 6.376 -2.206 253 HB VAL 32 HB VAL 32 -9.815 7.755 -0.980 254 HG11 VAL 32 1HG1 VAL 32 -11.134 5.867 -1.876 255 HG12 VAL 32 2HG1 VAL 32 -9.704 5.311 -2.755 256 HG13 VAL 32 3HG1 VAL 32 -10.436 6.862 -3.154 257 HG21 VAL 32 1HG2 VAL 32 -10.020 5.668 0.265 258 HG22 VAL 32 2HG2 VAL 32 -8.497 6.500 0.591 259 HG23 VAL 32 3HG2 VAL 32 -8.528 5.094 -0.473 260 H LYS 33 H LYS 33 -6.940 6.822 -4.182 261 HA LYS 33 HA LYS 33 -8.691 8.590 -5.645 262 HB2 LYS 33 2HB LYS 33 -5.928 7.834 -5.606 263 HB3 LYS 33 1HB LYS 33 -6.471 8.164 -7.204 264 HG2 LYS 33 2HG LYS 33 -6.955 10.443 -6.584 265 HG3 LYS 33 1HG LYS 33 -6.865 10.050 -4.862 266 HD2 LYS 33 2HD LYS 33 -4.658 9.744 -4.902 267 HD3 LYS 33 1HD LYS 33 -4.569 9.564 -6.635 268 HE2 LYS 33 2HE LYS 33 -5.088 12.099 -4.994 269 HE3 LYS 33 1HE LYS 33 -3.669 11.797 -5.992 270 HZ1 LYS 33 1HZ LYS 33 -5.115 11.896 -7.968 271 HZ2 LYS 33 2HZ LYS 33 -5.194 13.329 -7.077 272 HZ3 LYS 33 3HZ LYS 33 -6.447 12.214 -6.977 273 H SER 34 H SER 34 -8.969 7.559 -7.857 274 HA SER 34 HA SER 34 -9.282 4.780 -7.256 275 HB2 SER 34 2HB SER 34 -10.919 6.444 -9.173 276 HB3 SER 34 1HB SER 34 -11.209 4.744 -8.797 277 HG SER 34 HG SER 34 -11.048 5.950 -6.488 278 H GLY 35 H GLY 35 -9.660 3.479 -9.513 279 HA2 GLY 35 2HA GLY 35 -8.800 2.706 -11.479 280 HA3 GLY 35 1HA GLY 35 -7.935 4.229 -11.665 281 H GLY 36 H GLY 36 -5.934 4.447 -10.864 282 HA2 GLY 36 2HA GLY 36 -4.717 2.218 -9.457 283 HA3 GLY 36 1HA GLY 36 -4.021 2.672 -11.017 284 H ARG 37 H ARG 37 -5.485 5.115 -8.971 285 HA ARG 37 HA ARG 37 -2.827 6.115 -8.464 286 HB2 ARG 37 2HB ARG 37 -5.050 7.098 -9.666 287 HB3 ARG 37 1HB ARG 37 -4.871 8.015 -8.174 288 HG2 ARG 37 2HG ARG 37 -2.754 7.699 -10.336 289 HG3 ARG 37 1HG ARG 37 -3.605 9.192 -9.922 290 HD2 ARG 37 2HD ARG 37 -2.622 9.164 -7.706 291 HD3 ARG 37 1HD ARG 37 -1.787 7.667 -8.028 292 HE ARG 37 HE ARG 37 -1.107 9.667 -9.924 293 HH11 ARG 37 1HH1 ARG 37 -0.399 8.456 -6.672 294 HH12 ARG 37 2HH1 ARG 37 1.126 9.179 -6.520 295 HH21 ARG 37 1HH2 ARG 37 1.072 10.688 -9.773 296 HH22 ARG 37 2HH2 ARG 37 1.990 10.494 -8.361 297 H VAL 38 H VAL 38 -4.351 4.277 -7.056 298 HA VAL 38 HA VAL 38 -5.255 5.482 -4.570 299 HB VAL 38 HB VAL 38 -4.224 2.695 -4.789 300 HG11 VAL 38 1HG1 VAL 38 -6.309 3.892 -2.988 301 HG12 VAL 38 2HG1 VAL 38 -4.672 3.405 -2.557 302 HG13 VAL 38 3HG1 VAL 38 -5.862 2.186 -3.010 303 HG21 VAL 38 1HG2 VAL 38 -5.809 2.871 -6.625 304 HG22 VAL 38 2HG2 VAL 38 -7.025 3.551 -5.545 305 HG23 VAL 38 3HG2 VAL 38 -6.511 1.875 -5.349 306 H VAL 39 H VAL 39 -3.954 6.149 -3.078 307 HA VAL 39 HA VAL 39 -1.098 5.639 -3.527 308 HB VAL 39 HB VAL 39 -2.253 8.049 -2.101 309 HG11 VAL 39 1HG1 VAL 39 0.508 7.447 -3.083 310 HG12 VAL 39 2HG1 VAL 39 -0.028 7.472 -1.403 311 HG13 VAL 39 3HG1 VAL 39 -0.024 8.960 -2.351 312 HG21 VAL 39 1HG2 VAL 39 -1.166 7.832 -4.906 313 HG22 VAL 39 2HG2 VAL 39 -1.660 9.321 -4.099 314 HG23 VAL 39 3HG2 VAL 39 -2.857 8.080 -4.473 315 H VAL 40 H VAL 40 0.103 4.718 -2.026 316 HA VAL 40 HA VAL 40 -0.998 4.352 0.630 317 HB VAL 40 HB VAL 40 -0.328 1.953 0.568 318 HG11 VAL 40 1HG1 VAL 40 -2.680 2.513 0.136 319 HG12 VAL 40 2HG1 VAL 40 -2.197 1.082 -0.771 320 HG13 VAL 40 3HG1 VAL 40 -2.340 2.639 -1.587 321 HG21 VAL 40 1HG2 VAL 40 1.316 2.001 -1.210 322 HG22 VAL 40 2HG2 VAL 40 0.083 2.440 -2.384 323 HG23 VAL 40 3HG2 VAL 40 0.054 0.845 -1.645 324 H GLN 41 H GLN 41 0.572 4.114 2.081 325 HA GLN 41 HA GLN 41 3.316 4.516 1.115 326 HB2 GLN 41 2HB GLN 41 2.308 6.411 2.365 327 HB3 GLN 41 1HB GLN 41 2.011 5.311 3.693 328 HG2 GLN 41 2HG GLN 41 4.476 4.936 3.794 329 HG3 GLN 41 1HG GLN 41 4.652 6.259 2.642 330 HE21 GLN 41 1HE2 GLN 41 4.023 8.344 3.281 331 HE22 GLN 41 2HE2 GLN 41 3.914 8.765 4.946 332 H SER 42 H SER 42 4.593 2.919 1.471 333 HA SER 42 HA SER 42 3.647 0.670 2.926 334 HB2 SER 42 2HB SER 42 5.290 0.466 1.006 335 HB3 SER 42 1HB SER 42 6.497 1.210 2.048 336 HG SER 42 HG SER 42 5.132 -1.154 2.734 337 H ASP 43 H ASP 43 5.044 -0.218 4.685 338 HA ASP 43 HA ASP 43 4.685 1.389 6.955 339 HB2 ASP 43 2HB ASP 43 4.731 -1.112 6.848 340 HB3 ASP 43 1HB ASP 43 6.486 -1.019 6.780 341 H GLN 44 H GLN 44 7.365 0.874 4.964 342 HA GLN 44 HA GLN 44 9.475 1.947 6.525 343 HB2 GLN 44 2HB GLN 44 10.643 1.978 4.260 344 HB3 GLN 44 1HB GLN 44 10.066 0.421 4.845 345 HG2 GLN 44 2HG GLN 44 8.108 0.577 3.404 346 HG3 GLN 44 1HG GLN 44 8.631 2.161 2.846 347 HE21 GLN 44 1HE2 GLN 44 8.098 -0.401 1.442 348 HE22 GLN 44 2HE2 GLN 44 9.557 -0.734 0.575 349 H GLY 45 H GLY 45 6.885 3.502 5.073 350 HA2 GLY 45 2HA GLY 45 6.565 5.847 5.318 351 HA3 GLY 45 1HA GLY 45 8.319 6.006 5.343 352 H ARG 46 H ARG 46 7.917 4.061 2.911 353 HA ARG 46 HA ARG 46 8.193 6.117 0.928 354 HB2 ARG 46 2HB ARG 46 9.640 4.208 0.922 355 HB3 ARG 46 1HB ARG 46 8.271 3.119 0.879 356 HG2 ARG 46 2HG ARG 46 7.747 3.860 -1.374 357 HG3 ARG 46 1HG ARG 46 9.128 4.969 -1.327 358 HD2 ARG 46 2HD ARG 46 10.653 3.201 -1.060 359 HD3 ARG 46 1HD ARG 46 9.378 2.035 -0.783 360 HE ARG 46 HE ARG 46 10.076 3.222 -3.369 361 HH11 ARG 46 1HH1 ARG 46 8.202 0.879 -1.449 362 HH12 ARG 46 2HH1 ARG 46 7.766 -0.062 -2.791 363 HH21 ARG 46 1HH2 ARG 46 9.457 1.760 -5.257 364 HH22 ARG 46 2HH2 ARG 46 8.508 0.391 -4.863 365 H GLU 47 H GLU 47 6.407 7.055 0.164 366 HA GLU 47 HA GLU 47 3.815 5.676 -0.103 367 HB2 GLU 47 2HB GLU 47 4.193 8.031 0.896 368 HB3 GLU 47 1HB GLU 47 4.520 8.531 -0.757 369 HG2 GLU 47 2HG GLU 47 2.319 7.775 -1.433 370 HG3 GLU 47 1HG GLU 47 1.986 7.242 0.209 371 H PHE 48 H PHE 48 2.949 5.090 -1.915 372 HA PHE 48 HA PHE 48 3.916 6.027 -4.441 373 HB2 PHE 48 2HB PHE 48 4.368 3.755 -5.360 374 HB3 PHE 48 1HB PHE 48 5.493 4.186 -4.087 375 HD1 PHE 48 HD1 PHE 48 2.822 1.929 -5.118 376 HD2 PHE 48 HD2 PHE 48 5.403 3.038 -1.923 377 HE1 PHE 48 HE1 PHE 48 2.335 -0.199 -3.991 378 HE2 PHE 48 HE2 PHE 48 4.920 0.921 -0.796 379 HZ PHE 48 HZ PHE 48 3.388 -0.707 -1.821 380 H THR 49 H THR 49 2.599 4.356 -6.141 381 HA THR 49 HA THR 49 -0.135 4.496 -5.156 382 HB THR 49 HB THR 49 0.307 6.401 -6.636 383 HG1 THR 49 HG1 THR 49 -1.313 4.591 -8.065 384 HG21 THR 49 1HG2 THR 49 0.847 6.106 -9.015 385 HG22 THR 49 2HG2 THR 49 1.039 4.372 -8.746 386 HG23 THR 49 3HG2 THR 49 2.143 5.510 -7.975 387 H ALA 50 H ALA 50 -1.491 2.873 -5.854 388 HA ALA 50 HA ALA 50 -0.471 0.742 -7.570 389 HB1 ALA 50 1HB ALA 50 -1.002 -0.974 -5.893 390 HB2 ALA 50 2HB ALA 50 -1.392 0.286 -4.723 391 HB3 ALA 50 3HB ALA 50 0.262 0.109 -5.308 392 H ARG 51 H ARG 51 -2.403 -1.022 -7.500 393 HA ARG 51 HA ARG 51 -4.849 0.584 -7.917 394 HB2 ARG 51 2HB ARG 51 -4.256 -2.177 -8.964 395 HB3 ARG 51 1HB ARG 51 -5.685 -1.243 -9.326 396 HG2 ARG 51 2HG ARG 51 -3.884 0.466 -10.267 397 HG3 ARG 51 1HG ARG 51 -2.895 -0.989 -10.348 398 HD2 ARG 51 2HD ARG 51 -5.502 -0.428 -11.746 399 HD3 ARG 51 1HD ARG 51 -3.933 -0.760 -12.467 400 HE ARG 51 HE ARG 51 -5.284 -2.834 -10.896 401 HH11 ARG 51 1HH1 ARG 51 -3.978 -1.790 -14.006 402 HH12 ARG 51 2HH1 ARG 51 -4.374 -3.220 -14.835 403 HH21 ARG 51 1HH2 ARG 51 -5.882 -4.768 -11.994 404 HH22 ARG 51 2HH2 ARG 51 -5.503 -5.010 -13.639 405 H GLY 52 H GLY 52 -6.916 -0.586 -7.426 406 HA2 GLY 52 2HA GLY 52 -6.803 -1.665 -4.759 407 HA3 GLY 52 1HA GLY 52 -8.259 -1.404 -5.698 408 H ASN 53 H ASN 53 -5.642 -3.198 -6.918 409 HA ASN 53 HA ASN 53 -7.040 -5.776 -6.534 410 HB2 ASN 53 2HB ASN 53 -5.036 -4.994 -8.680 411 HB3 ASN 53 1HB ASN 53 -5.776 -6.576 -8.510 412 HD21 ASN 53 1HD2 ASN 53 -8.403 -5.389 -7.855 413 HD22 ASN 53 2HD2 ASN 53 -9.016 -4.818 -9.352 414 H GLN 54 H GLN 54 -4.472 -3.739 -5.907 415 HA GLN 54 HA GLN 54 -2.515 -5.826 -5.319 416 HB2 GLN 54 2HB GLN 54 -2.387 -2.890 -5.848 417 HB3 GLN 54 1HB GLN 54 -0.992 -3.732 -5.241 418 HG2 GLN 54 2HG GLN 54 -0.966 -5.124 -7.234 419 HG3 GLN 54 1HG GLN 54 -2.436 -4.331 -7.809 420 HE21 GLN 54 1HE2 GLN 54 0.952 -3.906 -7.128 421 HE22 GLN 54 2HE2 GLN 54 1.164 -2.498 -8.091 422 H VAL 55 H VAL 55 -4.916 -4.165 -3.765 423 HA VAL 55 HA VAL 55 -3.318 -3.860 -1.302 424 HB VAL 55 HB VAL 55 -5.838 -2.325 -1.810 425 HG11 VAL 55 1HG1 VAL 55 -5.153 -2.413 0.442 426 HG12 VAL 55 2HG1 VAL 55 -4.944 -0.766 -0.154 427 HG13 VAL 55 3HG1 VAL 55 -3.544 -1.821 0.039 428 HG21 VAL 55 1HG2 VAL 55 -4.397 -1.639 -3.660 429 HG22 VAL 55 2HG2 VAL 55 -3.082 -1.307 -2.535 430 HG23 VAL 55 3HG2 VAL 55 -4.545 -0.323 -2.493 431 H ARG 56 H ARG 56 -4.043 -4.641 0.471 432 HA ARG 56 HA ARG 56 -6.683 -5.789 0.603 433 HB2 ARG 56 2HB ARG 56 -4.087 -7.186 0.740 434 HB3 ARG 56 1HB ARG 56 -5.499 -7.775 1.587 435 HG2 ARG 56 2HG ARG 56 -5.682 -7.116 -1.259 436 HG3 ARG 56 1HG ARG 56 -4.876 -8.607 -0.825 437 HD2 ARG 56 2HD ARG 56 -7.741 -7.723 -0.302 438 HD3 ARG 56 1HD ARG 56 -7.099 -9.121 -1.207 439 HE ARG 56 HE ARG 56 -6.333 -10.022 0.968 440 HH11 ARG 56 1HH1 ARG 56 -8.931 -7.564 1.209 441 HH12 ARG 56 2HH1 ARG 56 -9.668 -8.280 2.522 442 HH21 ARG 56 1HH2 ARG 56 -7.277 -10.889 2.973 443 HH22 ARG 56 2HH2 ARG 56 -8.695 -10.226 3.563 444 H LEU 57 H LEU 57 -7.344 -5.630 2.492 445 HA LEU 57 HA LEU 57 -6.214 -4.431 4.774 446 HB2 LEU 57 2HB LEU 57 -8.283 -6.626 4.659 447 HB3 LEU 57 1HB LEU 57 -7.905 -5.710 6.096 448 HG LEU 57 HG LEU 57 -9.055 -4.515 3.571 449 HD11 LEU 57 1HD1 LEU 57 -11.153 -4.409 4.821 450 HD12 LEU 57 2HD1 LEU 57 -10.403 -5.273 6.163 451 HD13 LEU 57 3HD1 LEU 57 -10.624 -6.077 4.608 452 HD21 LEU 57 1HD2 LEU 57 -9.520 -2.607 5.015 453 HD22 LEU 57 2HD2 LEU 57 -7.792 -2.939 4.932 454 HD23 LEU 57 3HD2 LEU 57 -8.716 -3.419 6.357 455 H ILE 58 H ILE 58 -5.744 -5.545 6.861 456 HA ILE 58 HA ILE 58 -3.784 -7.549 6.468 457 HB ILE 58 HB ILE 58 -3.596 -7.587 8.976 458 HG12 ILE 58 2HG1 ILE 58 -5.493 -5.216 8.778 459 HG13 ILE 58 1HG1 ILE 58 -5.868 -6.767 9.519 460 HG21 ILE 58 1HG2 ILE 58 -2.081 -6.300 7.587 461 HG22 ILE 58 2HG2 ILE 58 -2.443 -5.382 9.049 462 HG23 ILE 58 3HG2 ILE 58 -3.226 -4.961 7.527 463 HD11 ILE 58 1HD1 ILE 58 -3.798 -4.799 10.479 464 HD12 ILE 58 2HD1 ILE 58 -4.173 -6.349 11.232 465 HD13 ILE 58 3HD1 ILE 58 -5.388 -5.071 11.192 466 H GLU 59 H GLU 59 -4.866 -9.070 5.538 467 HA GLU 59 HA GLU 59 -5.734 -11.277 7.105 468 HB2 GLU 59 2HB GLU 59 -7.898 -10.044 6.806 469 HB3 GLU 59 1HB GLU 59 -7.607 -9.959 5.081 470 HG2 GLU 59 2HG GLU 59 -9.260 -11.636 5.479 471 HG3 GLU 59 1HG GLU 59 -7.776 -12.443 4.993 Start of MODEL 15 1 H1 SER 1 1H SER 1 -20.957 1.607 -6.958 2 H2 SER 1 2H SER 1 -19.783 0.595 -7.727 3 H3 SER 1 3H SER 1 -19.648 0.964 -6.115 4 HA SER 1 HA SER 1 -21.468 -0.240 -5.467 5 HB2 SER 1 2HB SER 1 -22.045 -0.771 -8.397 6 HB3 SER 1 1HB SER 1 -23.064 -1.190 -7.013 7 HG SER 1 HG SER 1 -23.933 0.695 -7.594 8 H ASN 2 H ASN 2 -20.633 -1.948 -8.515 9 HA ASN 2 HA ASN 2 -19.005 -3.800 -6.995 10 HB2 ASN 2 2HB ASN 2 -20.460 -4.636 -8.892 11 HB3 ASN 2 1HB ASN 2 -19.564 -3.596 -9.992 12 HD21 ASN 2 1HD2 ASN 2 -18.829 -5.310 -11.250 13 HD22 ASN 2 2HD2 ASN 2 -17.641 -6.420 -10.659 14 H ALA 3 H ALA 3 -17.307 -2.672 -6.324 15 HA ALA 3 HA ALA 3 -15.490 -1.470 -6.228 16 HB1 ALA 3 1HB ALA 3 -15.503 -1.342 -9.269 17 HB2 ALA 3 2HB ALA 3 -14.645 -2.547 -8.311 18 HB3 ALA 3 3HB ALA 3 -14.168 -0.851 -8.226 19 H MET 4 H MET 4 -15.020 0.678 -6.018 20 HA MET 4 HA MET 4 -17.221 2.468 -6.805 21 HB2 MET 4 2HB MET 4 -15.186 2.829 -4.591 22 HB3 MET 4 1HB MET 4 -16.586 3.835 -4.900 23 HG2 MET 4 2HG MET 4 -16.605 0.981 -3.943 24 HG3 MET 4 1HG MET 4 -16.974 2.411 -2.987 25 HE1 MET 4 1HE MET 4 -18.819 -0.129 -3.035 26 HE2 MET 4 2HE MET 4 -20.419 0.604 -3.172 27 HE3 MET 4 3HE MET 4 -19.200 1.334 -2.128 28 H GLU 5 H GLU 5 -15.649 4.868 -6.244 29 HA GLU 5 HA GLU 5 -13.936 4.694 -8.525 30 HB2 GLU 5 2HB GLU 5 -13.804 7.336 -7.977 31 HB3 GLU 5 1HB GLU 5 -15.052 6.646 -8.995 32 HG2 GLU 5 2HG GLU 5 -15.910 8.279 -7.335 33 HG3 GLU 5 1HG GLU 5 -16.637 6.685 -7.181 34 H LEU 6 H LEU 6 -13.903 5.389 -5.443 35 HA LEU 6 HA LEU 6 -11.124 4.537 -5.145 36 HB2 LEU 6 2HB LEU 6 -12.224 7.091 -4.126 37 HB3 LEU 6 1HB LEU 6 -10.736 6.332 -3.528 38 HG LEU 6 HG LEU 6 -11.169 7.325 -6.378 39 HD11 LEU 6 1HD1 LEU 6 -9.648 8.610 -4.125 40 HD12 LEU 6 2HD1 LEU 6 -11.152 9.205 -4.833 41 HD13 LEU 6 3HD1 LEU 6 -9.672 9.171 -5.795 42 HD21 LEU 6 1HD2 LEU 6 -8.671 6.420 -4.941 43 HD22 LEU 6 2HD2 LEU 6 -8.738 7.067 -6.580 44 HD23 LEU 6 3HD2 LEU 6 -9.519 5.531 -6.210 45 H ASP 7 H ASP 7 -12.049 2.700 -4.195 46 HA ASP 7 HA ASP 7 -13.583 3.125 -1.813 47 HB2 ASP 7 2HB ASP 7 -13.693 0.525 -1.884 48 HB3 ASP 7 1HB ASP 7 -14.702 1.477 -2.977 49 H LEU 8 H LEU 8 -10.740 3.314 -2.276 50 HA LEU 8 HA LEU 8 -9.825 1.894 0.137 51 HB2 LEU 8 2HB LEU 8 -8.177 3.391 -1.891 52 HB3 LEU 8 1HB LEU 8 -7.561 2.526 -0.522 53 HG LEU 8 HG LEU 8 -7.038 1.185 -2.358 54 HD11 LEU 8 1HD1 LEU 8 -8.287 -0.876 -2.080 55 HD12 LEU 8 2HD1 LEU 8 -9.499 -0.002 -1.146 56 HD13 LEU 8 3HD1 LEU 8 -7.843 -0.123 -0.547 57 HD21 LEU 8 1HD2 LEU 8 -9.875 1.469 -3.355 58 HD22 LEU 8 2HD2 LEU 8 -8.635 0.450 -4.089 59 HD23 LEU 8 3HD2 LEU 8 -8.435 2.202 -4.063 60 H GLN 9 H GLN 9 -9.858 3.125 1.897 61 HA GLN 9 HA GLN 9 -9.957 5.976 1.450 62 HB2 GLN 9 2HB GLN 9 -11.239 4.351 3.603 63 HB3 GLN 9 1HB GLN 9 -11.143 6.094 3.671 64 HG2 GLN 9 2HG GLN 9 -12.522 4.541 1.485 65 HG3 GLN 9 1HG GLN 9 -13.331 5.328 2.841 66 HE21 GLN 9 1HE2 GLN 9 -11.731 5.817 -0.224 67 HE22 GLN 9 2HE2 GLN 9 -12.149 7.477 -0.359 68 HA PRO 10 HA PRO 10 -6.243 6.583 3.695 69 HB2 PRO 10 2HB PRO 10 -7.422 8.928 4.992 70 HB3 PRO 10 1HB PRO 10 -6.090 8.831 3.852 71 HG2 PRO 10 2HG PRO 10 -8.450 9.851 3.098 72 HG3 PRO 10 1HG PRO 10 -7.381 8.979 1.985 73 HD2 PRO 10 2HD PRO 10 -9.868 8.036 3.296 74 HD3 PRO 10 1HD PRO 10 -9.235 7.658 1.707 75 H GLY 11 H GLY 11 -5.723 5.407 5.428 76 HA2 GLY 11 2HA GLY 11 -5.670 5.660 7.930 77 HA3 GLY 11 1HA GLY 11 -7.421 5.547 7.828 78 H ASP 12 H ASP 12 -6.959 3.550 5.540 79 HA ASP 12 HA ASP 12 -7.350 1.255 7.195 80 HB2 ASP 12 2HB ASP 12 -8.401 1.718 4.862 81 HB3 ASP 12 1HB ASP 12 -6.835 1.231 4.267 82 H VAL 13 H VAL 13 -6.167 -0.620 7.164 83 HA VAL 13 HA VAL 13 -3.237 -0.275 6.744 84 HB VAL 13 HB VAL 13 -4.581 -2.046 8.830 85 HG11 VAL 13 1HG1 VAL 13 -2.313 -2.336 9.727 86 HG12 VAL 13 2HG1 VAL 13 -1.670 -1.360 8.407 87 HG13 VAL 13 3HG1 VAL 13 -2.433 -2.914 8.064 88 HG21 VAL 13 1HG2 VAL 13 -3.720 -0.474 10.515 89 HG22 VAL 13 2HG2 VAL 13 -4.864 0.310 9.423 90 HG23 VAL 13 3HG2 VAL 13 -3.133 0.575 9.224 91 H VAL 14 H VAL 14 -2.470 -1.523 5.213 92 HA VAL 14 HA VAL 14 -4.098 -3.829 4.442 93 HB VAL 14 HB VAL 14 -3.885 -3.204 2.090 94 HG11 VAL 14 1HG1 VAL 14 -5.149 -1.052 3.775 95 HG12 VAL 14 2HG1 VAL 14 -5.923 -2.536 3.219 96 HG13 VAL 14 3HG1 VAL 14 -5.445 -1.302 2.059 97 HG21 VAL 14 1HG2 VAL 14 -3.148 -0.940 1.439 98 HG22 VAL 14 2HG2 VAL 14 -1.845 -1.874 2.174 99 HG23 VAL 14 3HG2 VAL 14 -2.672 -0.630 3.110 100 H LYS 15 H LYS 15 -3.057 -5.205 2.964 101 HA LYS 15 HA LYS 15 -0.150 -5.107 2.960 102 HB2 LYS 15 2HB LYS 15 -0.469 -7.550 2.195 103 HB3 LYS 15 1HB LYS 15 -0.717 -7.239 3.896 104 HG2 LYS 15 2HG LYS 15 -3.140 -7.113 3.468 105 HG3 LYS 15 1HG LYS 15 -2.808 -7.475 1.778 106 HD2 LYS 15 2HD LYS 15 -1.946 -9.612 2.365 107 HD3 LYS 15 1HD LYS 15 -2.151 -9.287 4.097 108 HE2 LYS 15 2HE LYS 15 -4.568 -8.973 3.712 109 HE3 LYS 15 1HE LYS 15 -4.325 -9.342 2.015 110 HZ1 LYS 15 1HZ LYS 15 -3.614 -11.652 2.748 111 HZ2 LYS 15 2HZ LYS 15 -5.198 -11.168 3.082 112 HZ3 LYS 15 3HZ LYS 15 -4.136 -11.187 4.316 113 H VAL 16 H VAL 16 0.657 -4.676 1.076 114 HA VAL 16 HA VAL 16 -1.068 -4.930 -1.255 115 HB VAL 16 HB VAL 16 -1.253 -2.648 -0.572 116 HG11 VAL 16 1HG1 VAL 16 0.694 -2.431 0.799 117 HG12 VAL 16 2HG1 VAL 16 0.684 -1.140 -0.404 118 HG13 VAL 16 3HG1 VAL 16 1.741 -2.545 -0.611 119 HG21 VAL 16 1HG2 VAL 16 0.609 -2.852 -2.938 120 HG22 VAL 16 2HG2 VAL 16 -0.391 -1.451 -2.554 121 HG23 VAL 16 3HG2 VAL 16 -1.148 -2.986 -2.976 122 H LEU 17 H LEU 17 -0.099 -5.705 -2.951 123 HA LEU 17 HA LEU 17 2.648 -6.366 -2.581 124 HB2 LEU 17 2HB LEU 17 1.258 -8.122 -3.342 125 HB3 LEU 17 1HB LEU 17 0.658 -7.268 -4.708 126 HG LEU 17 HG LEU 17 3.536 -8.238 -4.376 127 HD11 LEU 17 1HD1 LEU 17 1.234 -9.517 -5.848 128 HD12 LEU 17 2HD1 LEU 17 1.986 -10.114 -4.368 129 HD13 LEU 17 3HD1 LEU 17 2.906 -10.075 -5.871 130 HD21 LEU 17 1HD2 LEU 17 3.296 -6.446 -6.048 131 HD22 LEU 17 2HD2 LEU 17 2.044 -7.382 -6.867 132 HD23 LEU 17 3HD2 LEU 17 3.700 -7.987 -6.806 133 H GLU 18 H GLU 18 3.707 -4.685 -2.630 134 HA GLU 18 HA GLU 18 3.418 -2.364 -4.174 135 HB2 GLU 18 2HB GLU 18 4.473 -2.400 -2.004 136 HB3 GLU 18 1HB GLU 18 5.746 -3.451 -2.597 137 HG2 GLU 18 2HG GLU 18 6.523 -1.689 -4.054 138 HG3 GLU 18 1HG GLU 18 5.257 -0.618 -3.493 139 H SER 19 H SER 19 5.753 -4.968 -4.364 140 HA SER 19 HA SER 19 6.130 -4.461 -7.172 141 HB2 SER 19 2HB SER 19 8.285 -4.212 -5.080 142 HB3 SER 19 1HB SER 19 8.670 -4.407 -6.811 143 HG SER 19 HG SER 19 6.831 -2.466 -6.217 144 H ALA 20 H ALA 20 6.860 -6.300 -8.263 145 HA ALA 20 HA ALA 20 6.033 -8.744 -7.201 146 HB1 ALA 20 1HB ALA 20 6.873 -9.740 -9.245 147 HB2 ALA 20 2HB ALA 20 7.813 -8.288 -9.587 148 HB3 ALA 20 3HB ALA 20 6.052 -8.219 -9.594 149 H ALA 21 H ALA 21 9.139 -7.234 -7.059 150 HA ALA 21 HA ALA 21 10.491 -9.712 -6.358 151 HB1 ALA 21 1HB ALA 21 11.622 -8.092 -7.813 152 HB2 ALA 21 2HB ALA 21 12.520 -8.355 -6.318 153 HB3 ALA 21 3HB ALA 21 11.556 -6.892 -6.523 154 H LEU 22 H LEU 22 8.460 -7.943 -4.717 155 HA LEU 22 HA LEU 22 9.928 -8.211 -2.182 156 HB2 LEU 22 2HB LEU 22 8.054 -5.958 -2.925 157 HB3 LEU 22 1HB LEU 22 8.719 -6.213 -1.328 158 HG LEU 22 HG LEU 22 10.314 -5.516 -3.801 159 HD11 LEU 22 1HD1 LEU 22 10.642 -3.363 -2.713 160 HD12 LEU 22 2HD1 LEU 22 9.589 -3.865 -1.391 161 HD13 LEU 22 3HD1 LEU 22 8.932 -3.671 -3.015 162 HD21 LEU 22 1HD2 LEU 22 11.175 -5.796 -0.917 163 HD22 LEU 22 2HD2 LEU 22 12.180 -5.202 -2.238 164 HD23 LEU 22 3HD2 LEU 22 11.622 -6.873 -2.243 165 H GLY 23 H GLY 23 6.765 -7.920 -3.745 166 HA2 GLY 23 2HA GLY 23 5.044 -9.537 -3.438 167 HA3 GLY 23 1HA GLY 23 5.796 -9.966 -1.911 168 H TRP 24 H TRP 24 3.799 -9.777 -0.960 169 HA TRP 24 HA TRP 24 2.352 -7.346 -0.780 170 HB2 TRP 24 2HB TRP 24 2.303 -9.849 0.916 171 HB3 TRP 24 1HB TRP 24 1.134 -8.541 1.040 172 HD1 TRP 24 HD1 TRP 24 2.070 -11.524 -1.144 173 HE1 TRP 24 HE1 TRP 24 0.182 -11.910 -2.862 174 HE3 TRP 24 HE3 TRP 24 -0.642 -7.316 -0.290 175 HZ2 TRP 24 HZ2 TRP 24 -2.173 -10.557 -3.745 176 HZ3 TRP 24 HZ3 TRP 24 -2.654 -6.918 -1.602 177 HH2 TRP 24 HH2 TRP 24 -3.411 -8.510 -3.295 178 H VAL 25 H VAL 25 3.101 -5.620 0.226 179 HA VAL 25 HA VAL 25 4.819 -6.000 2.560 180 HB VAL 25 HB VAL 25 5.638 -3.700 2.215 181 HG11 VAL 25 1HG1 VAL 25 6.895 -4.014 0.141 182 HG12 VAL 25 2HG1 VAL 25 5.830 -5.350 -0.295 183 HG13 VAL 25 3HG1 VAL 25 6.866 -5.476 1.127 184 HG21 VAL 25 1HG2 VAL 25 3.875 -3.662 -0.236 185 HG22 VAL 25 2HG2 VAL 25 5.049 -2.419 0.206 186 HG23 VAL 25 3HG2 VAL 25 3.639 -2.705 1.228 187 H ARG 26 H ARG 26 4.537 -4.423 4.234 188 HA ARG 26 HA ARG 26 1.762 -4.093 4.967 189 HB2 ARG 26 2HB ARG 26 3.416 -4.811 6.611 190 HB3 ARG 26 1HB ARG 26 4.373 -3.381 6.239 191 HG2 ARG 26 2HG ARG 26 2.722 -1.954 7.249 192 HG3 ARG 26 1HG ARG 26 1.667 -3.340 7.545 193 HD2 ARG 26 2HD ARG 26 2.966 -2.659 9.551 194 HD3 ARG 26 1HD ARG 26 3.276 -4.319 9.050 195 HE ARG 26 HE ARG 26 5.147 -2.440 7.931 196 HH11 ARG 26 1HH1 ARG 26 4.477 -4.381 10.816 197 HH12 ARG 26 2HH1 ARG 26 6.105 -4.442 11.334 198 HH21 ARG 26 1HH2 ARG 26 7.349 -2.501 8.619 199 HH22 ARG 26 2HH2 ARG 26 7.825 -3.316 10.016 200 H ALA 27 H ALA 27 0.653 -2.259 4.778 201 HA ALA 27 HA ALA 27 1.984 0.274 4.463 202 HB1 ALA 27 1HB ALA 27 0.294 -0.822 2.220 203 HB2 ALA 27 2HB ALA 27 2.047 -0.627 2.176 204 HB3 ALA 27 3HB ALA 27 1.005 0.790 2.306 205 H ARG 28 H ARG 28 0.294 1.946 4.022 206 HA ARG 28 HA ARG 28 -2.338 1.291 5.178 207 HB2 ARG 28 2HB ARG 28 -0.872 2.166 6.991 208 HB3 ARG 28 1HB ARG 28 -0.483 3.551 5.991 209 HG2 ARG 28 2HG ARG 28 -2.809 4.286 6.087 210 HG3 ARG 28 1HG ARG 28 -3.220 2.874 7.063 211 HD2 ARG 28 2HD ARG 28 -2.916 4.848 8.463 212 HD3 ARG 28 1HD ARG 28 -1.686 3.634 8.811 213 HE ARG 28 HE ARG 28 -0.902 5.570 6.860 214 HH11 ARG 28 1HH1 ARG 28 -1.003 4.874 10.316 215 HH12 ARG 28 2HH1 ARG 28 0.243 5.940 10.768 216 HH21 ARG 28 1HH2 ARG 28 0.849 7.083 7.427 217 HH22 ARG 28 2HH2 ARG 28 1.339 7.251 9.041 218 H VAL 29 H VAL 29 -3.902 2.192 4.071 219 HA VAL 29 HA VAL 29 -3.314 3.834 1.741 220 HB VAL 29 HB VAL 29 -5.942 3.485 3.185 221 HG11 VAL 29 1HG1 VAL 29 -5.307 4.127 0.289 222 HG12 VAL 29 2HG1 VAL 29 -5.855 5.275 1.509 223 HG13 VAL 29 3HG1 VAL 29 -6.931 3.988 0.966 224 HG21 VAL 29 1HG2 VAL 29 -5.086 1.249 2.658 225 HG22 VAL 29 2HG2 VAL 29 -4.916 1.706 0.960 226 HG23 VAL 29 3HG2 VAL 29 -6.511 1.630 1.698 227 H ILE 30 H ILE 30 -2.838 5.781 1.854 228 HA ILE 30 HA ILE 30 -3.350 7.027 4.418 229 HB ILE 30 HB ILE 30 -1.154 7.450 2.463 230 HG12 ILE 30 2HG1 ILE 30 -1.268 6.495 5.320 231 HG13 ILE 30 1HG1 ILE 30 -0.740 5.606 3.900 232 HG21 ILE 30 1HG2 ILE 30 -1.689 9.152 4.937 233 HG22 ILE 30 2HG2 ILE 30 -1.762 9.701 3.265 234 HG23 ILE 30 3HG2 ILE 30 -0.214 9.233 3.971 235 HD11 ILE 30 1HD1 ILE 30 1.155 6.187 5.267 236 HD12 ILE 30 2HD1 ILE 30 0.683 7.882 5.243 237 HD13 ILE 30 3HD1 ILE 30 1.221 7.107 3.758 238 H ARG 31 H ARG 31 -3.711 7.485 0.920 239 HA ARG 31 HA ARG 31 -5.186 9.762 1.494 240 HB2 ARG 31 2HB ARG 31 -3.160 10.782 1.558 241 HB3 ARG 31 1HB ARG 31 -2.534 9.517 0.538 242 HG2 ARG 31 2HG ARG 31 -3.008 10.421 -1.354 243 HG3 ARG 31 1HG ARG 31 -4.422 11.227 -0.686 244 HD2 ARG 31 2HD ARG 31 -2.552 12.749 -1.422 245 HD3 ARG 31 1HD ARG 31 -2.899 12.943 0.311 246 HE ARG 31 HE ARG 31 -0.693 11.175 -0.624 247 HH11 ARG 31 1HH1 ARG 31 -1.708 13.933 1.368 248 HH12 ARG 31 2HH1 ARG 31 -0.173 14.142 2.072 249 HH21 ARG 31 1HH2 ARG 31 1.377 11.489 0.275 250 HH22 ARG 31 2HH2 ARG 31 1.663 12.684 1.445 251 H VAL 32 H VAL 32 -6.199 10.365 -0.177 252 HA VAL 32 HA VAL 32 -6.237 8.792 -2.616 253 HB VAL 32 HB VAL 32 -8.485 9.871 -2.992 254 HG11 VAL 32 1HG1 VAL 32 -8.212 8.148 -0.517 255 HG12 VAL 32 2HG1 VAL 32 -8.331 7.569 -2.179 256 HG13 VAL 32 3HG1 VAL 32 -9.708 8.372 -1.425 257 HG21 VAL 32 1HG2 VAL 32 -8.228 10.669 -0.085 258 HG22 VAL 32 2HG2 VAL 32 -9.705 10.788 -1.040 259 HG23 VAL 32 3HG2 VAL 32 -8.298 11.764 -1.465 260 H LYS 33 H LYS 33 -5.336 9.778 -4.277 261 HA LYS 33 HA LYS 33 -4.693 12.663 -4.186 262 HB2 LYS 33 2HB LYS 33 -3.517 10.344 -5.059 263 HB3 LYS 33 1HB LYS 33 -3.771 11.167 -6.535 264 HG2 LYS 33 2HG LYS 33 -1.635 11.978 -6.039 265 HG3 LYS 33 1HG LYS 33 -2.541 13.151 -5.080 266 HD2 LYS 33 2HD LYS 33 -2.357 11.548 -3.147 267 HD3 LYS 33 1HD LYS 33 -1.307 10.586 -4.207 268 HE2 LYS 33 2HE LYS 33 -0.617 13.472 -3.704 269 HE3 LYS 33 1HE LYS 33 -0.259 12.293 -2.454 270 HZ1 LYS 33 1HZ LYS 33 0.753 12.041 -5.260 271 HZ2 LYS 33 2HZ LYS 33 1.248 11.182 -3.848 272 HZ3 LYS 33 3HZ LYS 33 1.582 12.785 -3.992 273 H SER 34 H SER 34 -4.643 13.271 -6.770 274 HA SER 34 HA SER 34 -7.129 12.311 -7.699 275 HB2 SER 34 2HB SER 34 -5.834 14.984 -8.325 276 HB3 SER 34 1HB SER 34 -7.373 14.439 -8.998 277 HG SER 34 HG SER 34 -7.478 14.146 -6.360 278 H GLY 35 H GLY 35 -7.170 12.267 -10.240 279 HA2 GLY 35 2HA GLY 35 -6.098 11.818 -12.261 280 HA3 GLY 35 1HA GLY 35 -4.547 11.901 -11.434 281 H GLY 36 H GLY 36 -6.634 10.002 -9.672 282 HA2 GLY 36 2HA GLY 36 -7.202 7.699 -9.906 283 HA3 GLY 36 1HA GLY 36 -5.960 7.556 -11.141 284 H ARG 37 H ARG 37 -4.590 9.339 -8.785 285 HA ARG 37 HA ARG 37 -3.112 7.094 -7.893 286 HB2 ARG 37 2HB ARG 37 -1.873 8.717 -8.318 287 HB3 ARG 37 1HB ARG 37 -2.700 9.957 -7.373 288 HG2 ARG 37 2HG ARG 37 -1.795 9.100 -5.387 289 HG3 ARG 37 1HG ARG 37 -1.523 7.500 -6.094 290 HD2 ARG 37 2HD ARG 37 0.001 8.252 -7.459 291 HD3 ARG 37 1HD ARG 37 -0.284 9.943 -7.075 292 HE ARG 37 HE ARG 37 0.652 9.091 -4.706 293 HH11 ARG 37 1HH1 ARG 37 1.855 7.798 -7.787 294 HH12 ARG 37 2HH1 ARG 37 3.448 7.582 -7.232 295 HH21 ARG 37 1HH2 ARG 37 2.786 8.814 -3.968 296 HH22 ARG 37 2HH2 ARG 37 4.001 8.099 -4.907 297 H VAL 38 H VAL 38 -3.759 5.807 -6.597 298 HA VAL 38 HA VAL 38 -5.124 6.651 -4.127 299 HB VAL 38 HB VAL 38 -4.323 3.861 -4.815 300 HG11 VAL 38 1HG1 VAL 38 -6.502 4.912 -3.038 301 HG12 VAL 38 2HG1 VAL 38 -4.970 4.194 -2.540 302 HG13 VAL 38 3HG1 VAL 38 -6.188 3.204 -3.345 303 HG21 VAL 38 1HG2 VAL 38 -5.654 4.575 -6.723 304 HG22 VAL 38 2HG2 VAL 38 -6.928 5.145 -5.646 305 HG23 VAL 38 3HG2 VAL 38 -6.578 3.420 -5.762 306 H VAL 39 H VAL 39 -3.917 6.737 -2.276 307 HA VAL 39 HA VAL 39 -1.155 6.093 -2.668 308 HB VAL 39 HB VAL 39 -2.564 8.223 -1.135 309 HG11 VAL 39 1HG1 VAL 39 0.228 7.240 -0.675 310 HG12 VAL 39 2HG1 VAL 39 -1.073 7.327 0.509 311 HG13 VAL 39 3HG1 VAL 39 -0.347 8.817 -0.119 312 HG21 VAL 39 1HG2 VAL 39 -0.258 8.173 -3.041 313 HG22 VAL 39 2HG2 VAL 39 -0.934 9.611 -2.275 314 HG23 VAL 39 3HG2 VAL 39 -1.922 8.650 -3.381 315 H VAL 40 H VAL 40 -0.325 4.598 -1.612 316 HA VAL 40 HA VAL 40 -1.172 4.127 1.101 317 HB VAL 40 HB VAL 40 -0.671 1.697 0.854 318 HG11 VAL 40 1HG1 VAL 40 -2.776 2.623 -1.087 319 HG12 VAL 40 2HG1 VAL 40 -2.986 2.254 0.631 320 HG13 VAL 40 3HG1 VAL 40 -2.599 0.969 -0.506 321 HG21 VAL 40 1HG2 VAL 40 0.890 1.787 -0.993 322 HG22 VAL 40 2HG2 VAL 40 -0.405 2.266 -2.088 323 HG23 VAL 40 3HG2 VAL 40 -0.419 0.661 -1.354 324 H GLN 41 H GLN 41 0.613 3.844 2.350 325 HA GLN 41 HA GLN 41 3.178 4.102 0.955 326 HB2 GLN 41 2HB GLN 41 2.473 6.237 1.982 327 HB3 GLN 41 1HB GLN 41 2.342 5.421 3.513 328 HG2 GLN 41 2HG GLN 41 4.754 5.006 3.550 329 HG3 GLN 41 1HG GLN 41 4.936 5.798 1.998 330 HE21 GLN 41 1HE2 GLN 41 6.036 6.435 4.608 331 HE22 GLN 41 2HE2 GLN 41 5.583 8.081 4.904 332 H SER 42 H SER 42 4.465 2.605 1.437 333 HA SER 42 HA SER 42 3.806 0.711 3.524 334 HB2 SER 42 2HB SER 42 4.895 -0.027 1.334 335 HB3 SER 42 1HB SER 42 6.338 0.840 1.877 336 HG SER 42 HG SER 42 5.128 -1.261 3.317 337 H ASP 43 H ASP 43 5.634 0.098 5.058 338 HA ASP 43 HA ASP 43 6.249 2.479 6.505 339 HB2 ASP 43 2HB ASP 43 7.291 0.911 8.215 340 HB3 ASP 43 1HB ASP 43 5.576 0.698 7.907 341 H GLN 44 H GLN 44 7.717 0.945 4.091 342 HA GLN 44 HA GLN 44 10.467 1.542 4.584 343 HB2 GLN 44 2HB GLN 44 9.001 1.457 1.937 344 HB3 GLN 44 1HB GLN 44 10.733 1.335 2.169 345 HG2 GLN 44 2HG GLN 44 10.422 -0.819 3.291 346 HG3 GLN 44 1HG GLN 44 8.678 -0.684 3.050 347 HE21 GLN 44 1HE2 GLN 44 7.823 -0.868 0.933 348 HE22 GLN 44 2HE2 GLN 44 8.728 -1.491 -0.357 349 H GLY 45 H GLY 45 7.674 3.402 3.953 350 HA2 GLY 45 2HA GLY 45 7.492 5.725 4.025 351 HA3 GLY 45 1HA GLY 45 9.204 5.878 3.694 352 H ARG 46 H ARG 46 7.711 3.683 1.704 353 HA ARG 46 HA ARG 46 8.029 5.451 -0.559 354 HB2 ARG 46 2HB ARG 46 8.906 3.110 -0.521 355 HB3 ARG 46 1HB ARG 46 7.255 2.529 -0.445 356 HG2 ARG 46 2HG ARG 46 6.813 3.467 -2.657 357 HG3 ARG 46 1HG ARG 46 8.461 4.096 -2.725 358 HD2 ARG 46 2HD ARG 46 9.299 1.769 -2.467 359 HD3 ARG 46 1HD ARG 46 7.639 1.194 -2.562 360 HE ARG 46 HE ARG 46 8.326 2.834 -4.775 361 HH11 ARG 46 1HH1 ARG 46 8.578 -0.524 -3.559 362 HH12 ARG 46 2HH1 ARG 46 8.778 -1.227 -5.073 363 HH21 ARG 46 1HH2 ARG 46 8.673 1.803 -6.937 364 HH22 ARG 46 2HH2 ARG 46 8.865 0.108 -7.007 365 H GLU 47 H GLU 47 6.283 6.852 -0.713 366 HA GLU 47 HA GLU 47 3.556 5.902 -0.473 367 HB2 GLU 47 2HB GLU 47 4.130 8.358 -0.067 368 HB3 GLU 47 1HB GLU 47 4.555 8.499 -1.774 369 HG2 GLU 47 2HG GLU 47 2.158 7.609 -2.213 370 HG3 GLU 47 1HG GLU 47 1.911 8.010 -0.521 371 H PHE 48 H PHE 48 2.667 4.742 -2.082 372 HA PHE 48 HA PHE 48 3.444 5.435 -4.781 373 HB2 PHE 48 2HB PHE 48 3.644 3.062 -5.462 374 HB3 PHE 48 1HB PHE 48 4.864 3.536 -4.295 375 HD1 PHE 48 HD1 PHE 48 4.499 2.867 -1.871 376 HD2 PHE 48 HD2 PHE 48 2.279 1.222 -5.102 377 HE1 PHE 48 HE1 PHE 48 3.915 0.943 -0.480 378 HE2 PHE 48 HE2 PHE 48 1.687 -0.710 -3.709 379 HZ PHE 48 HZ PHE 48 2.513 -0.844 -1.392 380 H THR 49 H THR 49 2.011 4.005 -6.337 381 HA THR 49 HA THR 49 -0.686 4.678 -5.512 382 HB THR 49 HB THR 49 0.424 4.111 -8.268 383 HG1 THR 49 HG1 THR 49 0.720 6.091 -6.594 384 HG21 THR 49 1HG2 THR 49 -2.122 5.441 -7.313 385 HG22 THR 49 2HG2 THR 49 -2.022 3.856 -8.080 386 HG23 THR 49 3HG2 THR 49 -1.625 5.310 -9.000 387 H ALA 50 H ALA 50 -1.881 3.041 -4.944 388 HA ALA 50 HA ALA 50 -1.130 0.379 -5.945 389 HB1 ALA 50 1HB ALA 50 -2.664 1.077 -3.460 390 HB2 ALA 50 2HB ALA 50 -0.960 0.626 -3.538 391 HB3 ALA 50 3HB ALA 50 -2.204 -0.542 -3.984 392 H ARG 51 H ARG 51 -2.551 -0.833 -7.006 393 HA ARG 51 HA ARG 51 -5.129 0.360 -7.724 394 HB2 ARG 51 2HB ARG 51 -3.670 -2.113 -8.677 395 HB3 ARG 51 1HB ARG 51 -5.277 -1.668 -9.218 396 HG2 ARG 51 2HG ARG 51 -4.447 0.285 -10.309 397 HG3 ARG 51 1HG ARG 51 -2.855 0.079 -9.573 398 HD2 ARG 51 2HD ARG 51 -2.979 -0.661 -11.960 399 HD3 ARG 51 1HD ARG 51 -2.443 -1.910 -10.843 400 HE ARG 51 HE ARG 51 -5.129 -2.309 -11.033 401 HH11 ARG 51 1HH1 ARG 51 -2.590 -2.071 -13.474 402 HH12 ARG 51 2HH1 ARG 51 -3.264 -3.224 -14.529 403 HH21 ARG 51 1HH2 ARG 51 -6.064 -3.934 -12.422 404 HH22 ARG 51 2HH2 ARG 51 -5.341 -4.321 -13.911 405 H GLY 52 H GLY 52 -7.128 -0.822 -7.360 406 HA2 GLY 52 2HA GLY 52 -7.226 -2.314 -4.917 407 HA3 GLY 52 1HA GLY 52 -8.570 -2.022 -6.006 408 H ASN 53 H ASN 53 -5.674 -3.476 -7.051 409 HA ASN 53 HA ASN 53 -6.891 -6.158 -7.209 410 HB2 ASN 53 2HB ASN 53 -4.985 -4.853 -9.188 411 HB3 ASN 53 1HB ASN 53 -5.588 -6.499 -9.294 412 HD21 ASN 53 1HD2 ASN 53 -8.299 -5.679 -8.448 413 HD22 ASN 53 2HD2 ASN 53 -8.991 -4.919 -9.820 414 H GLN 54 H GLN 54 -4.607 -4.101 -5.986 415 HA GLN 54 HA GLN 54 -2.456 -6.081 -5.687 416 HB2 GLN 54 2HB GLN 54 -2.533 -3.101 -5.896 417 HB3 GLN 54 1HB GLN 54 -1.114 -3.900 -5.297 418 HG2 GLN 54 2HG GLN 54 -0.878 -5.041 -7.448 419 HG3 GLN 54 1HG GLN 54 -2.353 -4.248 -8.013 420 HE21 GLN 54 1HE2 GLN 54 0.974 -3.741 -7.045 421 HE22 GLN 54 2HE2 GLN 54 1.127 -2.193 -7.780 422 H VAL 55 H VAL 55 -5.038 -4.791 -4.089 423 HA VAL 55 HA VAL 55 -3.553 -4.413 -1.580 424 HB VAL 55 HB VAL 55 -6.022 -2.844 -2.319 425 HG11 VAL 55 1HG1 VAL 55 -5.421 -1.414 -0.449 426 HG12 VAL 55 2HG1 VAL 55 -4.052 -2.469 -0.103 427 HG13 VAL 55 3HG1 VAL 55 -5.696 -3.089 0.030 428 HG21 VAL 55 1HG2 VAL 55 -4.254 -2.125 -3.831 429 HG22 VAL 55 2HG2 VAL 55 -3.172 -1.876 -2.459 430 HG23 VAL 55 3HG2 VAL 55 -4.608 -0.869 -2.646 431 H ARG 56 H ARG 56 -4.291 -5.400 0.051 432 HA ARG 56 HA ARG 56 -7.001 -6.375 0.081 433 HB2 ARG 56 2HB ARG 56 -4.478 -7.758 0.833 434 HB3 ARG 56 1HB ARG 56 -6.097 -8.384 1.103 435 HG2 ARG 56 2HG ARG 56 -5.168 -7.632 -1.590 436 HG3 ARG 56 1HG ARG 56 -4.694 -9.182 -0.985 437 HD2 ARG 56 2HD ARG 56 -7.491 -8.101 -1.453 438 HD3 ARG 56 1HD ARG 56 -6.649 -9.355 -2.369 439 HE ARG 56 HE ARG 56 -7.086 -9.994 0.441 440 HH11 ARG 56 1HH1 ARG 56 -8.326 -10.274 -2.860 441 HH12 ARG 56 2HH1 ARG 56 -9.392 -11.562 -2.511 442 HH21 ARG 56 1HH2 ARG 56 -8.542 -11.699 0.950 443 HH22 ARG 56 2HH2 ARG 56 -9.513 -12.421 -0.223 444 H LEU 57 H LEU 57 -7.755 -5.815 2.076 445 HA LEU 57 HA LEU 57 -6.084 -4.396 3.859 446 HB2 LEU 57 2HB LEU 57 -8.112 -4.381 5.405 447 HB3 LEU 57 1HB LEU 57 -8.279 -3.601 3.851 448 HG LEU 57 HG LEU 57 -9.358 -5.726 3.066 449 HD11 LEU 57 1HD1 LEU 57 -10.484 -7.114 4.769 450 HD12 LEU 57 2HD1 LEU 57 -9.613 -6.240 6.029 451 HD13 LEU 57 3HD1 LEU 57 -8.726 -7.224 4.865 452 HD21 LEU 57 1HD2 LEU 57 -10.744 -4.041 5.139 453 HD22 LEU 57 2HD2 LEU 57 -11.563 -5.084 3.976 454 HD23 LEU 57 3HD2 LEU 57 -10.617 -3.707 3.412 455 H ILE 58 H ILE 58 -6.628 -5.114 6.389 456 HA ILE 58 HA ILE 58 -4.886 -7.259 6.783 457 HB ILE 58 HB ILE 58 -5.579 -7.126 9.230 458 HG12 ILE 58 2HG1 ILE 58 -7.106 -4.694 8.228 459 HG13 ILE 58 1HG1 ILE 58 -7.836 -6.158 8.871 460 HG21 ILE 58 1HG2 ILE 58 -4.532 -4.665 7.850 461 HG22 ILE 58 2HG2 ILE 58 -3.590 -6.058 8.384 462 HG23 ILE 58 3HG2 ILE 58 -4.370 -5.013 9.571 463 HD11 ILE 58 1HD1 ILE 58 -6.077 -4.244 10.391 464 HD12 ILE 58 2HD1 ILE 58 -6.819 -5.702 11.047 465 HD13 ILE 58 3HD1 ILE 58 -7.832 -4.361 10.510 466 H GLU 59 H GLU 59 -5.454 -9.068 5.884 467 HA GLU 59 HA GLU 59 -7.032 -10.862 7.301 468 HB2 GLU 59 2HB GLU 59 -8.407 -11.524 5.247 469 HB3 GLU 59 1HB GLU 59 -8.924 -10.049 6.033 470 HG2 GLU 59 2HG GLU 59 -9.089 -9.392 3.842 471 HG3 GLU 59 1HG GLU 59 -7.420 -8.943 4.135 Start of MODEL 16 1 H1 SER 1 1H SER 1 -16.660 12.635 -15.572 2 H2 SER 1 2H SER 1 -15.172 12.575 -14.752 3 H3 SER 1 3H SER 1 -16.324 13.835 -14.430 4 HA SER 1 HA SER 1 -16.321 12.145 -12.724 5 HB2 SER 1 2HB SER 1 -18.816 12.256 -14.435 6 HB3 SER 1 1HB SER 1 -18.728 12.109 -12.672 7 HG SER 1 HG SER 1 -19.073 14.248 -13.028 8 H ASN 2 H ASN 2 -16.144 9.932 -12.328 9 HA ASN 2 HA ASN 2 -16.786 8.082 -14.472 10 HB2 ASN 2 2HB ASN 2 -14.068 8.298 -13.123 11 HB3 ASN 2 1HB ASN 2 -14.567 6.976 -14.166 12 HD21 ASN 2 1HD2 ASN 2 -14.553 7.281 -16.397 13 HD22 ASN 2 2HD2 ASN 2 -13.883 8.694 -17.122 14 H ALA 3 H ALA 3 -17.087 5.968 -13.634 15 HA ALA 3 HA ALA 3 -17.807 6.013 -10.849 16 HB1 ALA 3 1HB ALA 3 -19.426 5.125 -12.465 17 HB2 ALA 3 2HB ALA 3 -18.918 3.875 -11.330 18 HB3 ALA 3 3HB ALA 3 -18.258 3.902 -12.966 19 H MET 4 H MET 4 -15.955 5.864 -9.740 20 HA MET 4 HA MET 4 -14.407 3.407 -10.084 21 HB2 MET 4 2HB MET 4 -13.408 6.146 -9.293 22 HB3 MET 4 1HB MET 4 -12.457 4.676 -9.220 23 HG2 MET 4 2HG MET 4 -12.634 4.430 -11.638 24 HG3 MET 4 1HG MET 4 -13.632 5.879 -11.716 25 HE1 MET 4 1HE MET 4 -12.043 6.896 -13.564 26 HE2 MET 4 2HE MET 4 -11.056 5.438 -13.503 27 HE3 MET 4 3HE MET 4 -10.293 7.024 -13.397 28 H GLU 5 H GLU 5 -15.489 2.274 -8.497 29 HA GLU 5 HA GLU 5 -15.701 3.543 -5.932 30 HB2 GLU 5 2HB GLU 5 -16.992 1.492 -5.281 31 HB3 GLU 5 1HB GLU 5 -17.707 2.439 -6.571 32 HG2 GLU 5 2HG GLU 5 -16.850 0.820 -8.208 33 HG3 GLU 5 1HG GLU 5 -16.168 -0.130 -6.886 34 H LEU 6 H LEU 6 -13.904 3.620 -4.932 35 HA LEU 6 HA LEU 6 -12.433 1.119 -4.432 36 HB2 LEU 6 2HB LEU 6 -11.308 3.914 -4.592 37 HB3 LEU 6 1HB LEU 6 -10.435 2.449 -4.185 38 HG LEU 6 HG LEU 6 -11.736 2.904 -6.873 39 HD11 LEU 6 1HD1 LEU 6 -9.917 4.500 -6.552 40 HD12 LEU 6 2HD1 LEU 6 -9.490 3.273 -7.744 41 HD13 LEU 6 3HD1 LEU 6 -8.834 3.178 -6.110 42 HD21 LEU 6 1HD2 LEU 6 -11.483 0.556 -6.295 43 HD22 LEU 6 2HD2 LEU 6 -9.782 0.813 -5.911 44 HD23 LEU 6 3HD2 LEU 6 -10.348 0.997 -7.571 45 H ASP 7 H ASP 7 -13.453 0.579 -2.692 46 HA ASP 7 HA ASP 7 -13.909 2.513 -0.625 47 HB2 ASP 7 2HB ASP 7 -15.568 0.811 -1.108 48 HB3 ASP 7 1HB ASP 7 -14.452 -0.469 -0.616 49 H LEU 8 H LEU 8 -11.998 3.117 -0.244 50 HA LEU 8 HA LEU 8 -10.424 1.630 1.692 51 HB2 LEU 8 2HB LEU 8 -9.518 2.813 -0.886 52 HB3 LEU 8 1HB LEU 8 -8.383 2.615 0.445 53 HG LEU 8 HG LEU 8 -9.855 0.421 -1.058 54 HD11 LEU 8 1HD1 LEU 8 -6.954 1.244 -1.116 55 HD12 LEU 8 2HD1 LEU 8 -8.130 1.486 -2.408 56 HD13 LEU 8 3HD1 LEU 8 -7.647 -0.148 -1.949 57 HD21 LEU 8 1HD2 LEU 8 -8.394 -1.127 0.173 58 HD22 LEU 8 2HD2 LEU 8 -9.435 -0.220 1.266 59 HD23 LEU 8 3HD2 LEU 8 -7.737 0.229 1.091 60 H GLN 9 H GLN 9 -9.690 3.092 3.256 61 HA GLN 9 HA GLN 9 -10.281 5.884 2.712 62 HB2 GLN 9 2HB GLN 9 -10.709 4.284 5.224 63 HB3 GLN 9 1HB GLN 9 -10.773 6.034 5.183 64 HG2 GLN 9 2HG GLN 9 -12.559 4.220 3.571 65 HG3 GLN 9 1HG GLN 9 -13.006 4.985 5.096 66 HE21 GLN 9 1HE2 GLN 9 -12.300 5.525 1.730 67 HE22 GLN 9 2HE2 GLN 9 -12.986 7.113 1.653 68 HA PRO 10 HA PRO 10 -6.145 6.703 3.993 69 HB2 PRO 10 2HB PRO 10 -6.787 9.119 5.416 70 HB3 PRO 10 1HB PRO 10 -6.090 8.951 3.815 71 HG2 PRO 10 2HG PRO 10 -8.631 9.909 4.256 72 HG3 PRO 10 1HG PRO 10 -8.022 9.265 2.723 73 HD2 PRO 10 2HD PRO 10 -9.800 7.974 4.703 74 HD3 PRO 10 1HD PRO 10 -9.687 7.736 2.962 75 H GLY 11 H GLY 11 -5.369 5.452 5.477 76 HA2 GLY 11 2HA GLY 11 -4.684 5.613 7.903 77 HA3 GLY 11 1HA GLY 11 -6.415 5.604 8.221 78 H ASP 12 H ASP 12 -6.635 3.675 5.785 79 HA ASP 12 HA ASP 12 -6.881 1.360 7.278 80 HB2 ASP 12 2HB ASP 12 -6.877 1.906 4.347 81 HB3 ASP 12 1HB ASP 12 -6.918 0.256 4.925 82 H VAL 13 H VAL 13 -5.592 -0.090 7.902 83 HA VAL 13 HA VAL 13 -2.858 -0.187 6.892 84 HB VAL 13 HB VAL 13 -4.057 -1.727 9.224 85 HG11 VAL 13 1HG1 VAL 13 -1.177 -1.264 8.461 86 HG12 VAL 13 2HG1 VAL 13 -2.066 -2.781 8.339 87 HG13 VAL 13 3HG1 VAL 13 -1.728 -2.083 9.923 88 HG21 VAL 13 1HG2 VAL 13 -2.458 0.837 9.307 89 HG22 VAL 13 2HG2 VAL 13 -2.957 -0.105 10.711 90 HG23 VAL 13 3HG2 VAL 13 -4.171 0.665 9.688 91 H VAL 14 H VAL 14 -2.741 -1.428 5.133 92 HA VAL 14 HA VAL 14 -4.194 -3.988 5.068 93 HB VAL 14 HB VAL 14 -4.696 -3.567 2.661 94 HG11 VAL 14 1HG1 VAL 14 -5.828 -1.456 4.491 95 HG12 VAL 14 2HG1 VAL 14 -6.396 -3.114 4.408 96 HG13 VAL 14 3HG1 VAL 14 -6.575 -2.049 3.006 97 HG21 VAL 14 1HG2 VAL 14 -2.958 -1.907 2.213 98 HG22 VAL 14 2HG2 VAL 14 -3.774 -0.755 3.269 99 HG23 VAL 14 3HG2 VAL 14 -4.548 -1.282 1.774 100 H LYS 15 H LYS 15 -3.406 -5.224 3.057 101 HA LYS 15 HA LYS 15 -0.508 -4.998 2.934 102 HB2 LYS 15 2HB LYS 15 -0.830 -7.376 1.886 103 HB3 LYS 15 1HB LYS 15 -0.785 -7.200 3.619 104 HG2 LYS 15 2HG LYS 15 -3.222 -7.270 3.678 105 HG3 LYS 15 1HG LYS 15 -3.282 -7.389 1.928 106 HD2 LYS 15 2HD LYS 15 -2.079 -9.492 2.036 107 HD3 LYS 15 1HD LYS 15 -1.984 -9.387 3.799 108 HE2 LYS 15 2HE LYS 15 -4.478 -9.372 3.861 109 HE3 LYS 15 1HE LYS 15 -4.483 -9.602 2.121 110 HZ1 LYS 15 1HZ LYS 15 -3.422 -11.773 2.420 111 HZ2 LYS 15 2HZ LYS 15 -4.831 -11.664 3.337 112 HZ3 LYS 15 3HZ LYS 15 -3.372 -11.536 4.101 113 H VAL 16 H VAL 16 0.349 -4.375 1.178 114 HA VAL 16 HA VAL 16 -1.223 -4.427 -1.297 115 HB VAL 16 HB VAL 16 0.626 -2.183 -0.413 116 HG11 VAL 16 1HG1 VAL 16 -0.216 -0.988 -2.389 117 HG12 VAL 16 2HG1 VAL 16 -1.144 -2.417 -2.842 118 HG13 VAL 16 3HG1 VAL 16 0.616 -2.483 -2.820 119 HG21 VAL 16 1HG2 VAL 16 -2.377 -2.187 -0.615 120 HG22 VAL 16 2HG2 VAL 16 -1.374 -0.782 -0.244 121 HG23 VAL 16 3HG2 VAL 16 -1.435 -2.149 0.873 122 H LEU 17 H LEU 17 -0.110 -5.227 -2.945 123 HA LEU 17 HA LEU 17 2.638 -5.923 -2.435 124 HB2 LEU 17 2HB LEU 17 1.256 -7.653 -3.411 125 HB3 LEU 17 1HB LEU 17 0.810 -6.670 -4.762 126 HG LEU 17 HG LEU 17 3.667 -7.579 -4.272 127 HD11 LEU 17 1HD1 LEU 17 1.509 -8.934 -5.897 128 HD12 LEU 17 2HD1 LEU 17 2.217 -9.545 -4.401 129 HD13 LEU 17 3HD1 LEU 17 3.207 -9.406 -5.854 130 HD21 LEU 17 1HD2 LEU 17 3.921 -7.249 -6.688 131 HD22 LEU 17 2HD2 LEU 17 3.401 -5.757 -5.904 132 HD23 LEU 17 3HD2 LEU 17 2.238 -6.734 -6.803 133 H GLU 18 H GLU 18 3.813 -4.322 -2.480 134 HA GLU 18 HA GLU 18 3.583 -2.005 -4.126 135 HB2 GLU 18 2HB GLU 18 4.594 -1.926 -1.906 136 HB3 GLU 18 1HB GLU 18 5.831 -3.070 -2.400 137 HG2 GLU 18 2HG GLU 18 6.451 -1.334 -4.162 138 HG3 GLU 18 1HG GLU 18 5.510 -0.205 -3.210 139 H SER 19 H SER 19 6.106 -4.389 -3.804 140 HA SER 19 HA SER 19 6.892 -3.957 -6.576 141 HB2 SER 19 2HB SER 19 8.446 -4.174 -4.038 142 HB3 SER 19 1HB SER 19 9.261 -4.367 -5.623 143 HG SER 19 HG SER 19 8.291 -2.195 -4.218 144 H ALA 20 H ALA 20 7.365 -5.792 -7.709 145 HA ALA 20 HA ALA 20 6.259 -8.237 -6.874 146 HB1 ALA 20 1HB ALA 20 8.175 -7.748 -9.149 147 HB2 ALA 20 2HB ALA 20 6.422 -7.558 -9.225 148 HB3 ALA 20 3HB ALA 20 7.127 -9.152 -8.952 149 H ALA 21 H ALA 21 9.379 -6.924 -6.380 150 HA ALA 21 HA ALA 21 10.621 -9.498 -5.859 151 HB1 ALA 21 1HB ALA 21 12.653 -8.203 -5.441 152 HB2 ALA 21 2HB ALA 21 11.733 -6.704 -5.563 153 HB3 ALA 21 3HB ALA 21 11.919 -7.741 -6.977 154 H LEU 22 H LEU 22 8.516 -7.720 -4.209 155 HA LEU 22 HA LEU 22 9.677 -8.444 -1.602 156 HB2 LEU 22 2HB LEU 22 7.987 -6.014 -2.219 157 HB3 LEU 22 1HB LEU 22 8.445 -6.525 -0.612 158 HG LEU 22 HG LEU 22 10.340 -5.565 -2.762 159 HD11 LEU 22 1HD1 LEU 22 8.956 -3.781 -1.853 160 HD12 LEU 22 2HD1 LEU 22 10.626 -3.623 -1.309 161 HD13 LEU 22 3HD1 LEU 22 9.400 -4.261 -0.215 162 HD21 LEU 22 1HD2 LEU 22 12.029 -5.596 -0.972 163 HD22 LEU 22 2HD2 LEU 22 11.414 -7.209 -1.316 164 HD23 LEU 22 3HD2 LEU 22 10.854 -6.340 0.114 165 H GLY 23 H GLY 23 6.710 -7.806 -3.435 166 HA2 GLY 23 2HA GLY 23 4.894 -9.331 -3.491 167 HA3 GLY 23 1HA GLY 23 5.477 -9.998 -1.974 168 H TRP 24 H TRP 24 3.473 -9.805 -1.116 169 HA TRP 24 HA TRP 24 2.095 -7.352 -0.815 170 HB2 TRP 24 2HB TRP 24 1.831 -10.000 0.610 171 HB3 TRP 24 1HB TRP 24 0.704 -8.654 0.774 172 HD1 TRP 24 HD1 TRP 24 1.702 -11.441 -1.623 173 HE1 TRP 24 HE1 TRP 24 -0.021 -11.513 -3.546 174 HE3 TRP 24 HE3 TRP 24 -0.849 -7.187 -0.544 175 HZ2 TRP 24 HZ2 TRP 24 -2.173 -9.938 -4.486 176 HZ3 TRP 24 HZ3 TRP 24 -2.698 -6.518 -1.995 177 HH2 TRP 24 HH2 TRP 24 -3.352 -7.869 -3.929 178 H VAL 25 H VAL 25 2.944 -5.770 0.323 179 HA VAL 25 HA VAL 25 4.265 -6.455 2.830 180 HB VAL 25 HB VAL 25 5.447 -4.290 2.693 181 HG11 VAL 25 1HG1 VAL 25 7.000 -4.848 0.879 182 HG12 VAL 25 2HG1 VAL 25 5.835 -6.017 0.257 183 HG13 VAL 25 3HG1 VAL 25 6.568 -6.261 1.842 184 HG21 VAL 25 1HG2 VAL 25 5.441 -2.987 0.607 185 HG22 VAL 25 2HG2 VAL 25 3.841 -3.033 1.347 186 HG23 VAL 25 3HG2 VAL 25 4.197 -4.051 -0.048 187 H ARG 26 H ARG 26 4.058 -4.722 4.451 188 HA ARG 26 HA ARG 26 1.256 -4.174 4.834 189 HB2 ARG 26 2HB ARG 26 2.677 -5.040 6.619 190 HB3 ARG 26 1HB ARG 26 3.677 -3.593 6.494 191 HG2 ARG 26 2HG ARG 26 1.764 -2.248 7.242 192 HG3 ARG 26 1HG ARG 26 0.820 -3.734 7.434 193 HD2 ARG 26 2HD ARG 26 2.398 -4.581 9.044 194 HD3 ARG 26 1HD ARG 26 3.453 -3.196 8.795 195 HE ARG 26 HE ARG 26 0.824 -3.159 10.084 196 HH11 ARG 26 1HH1 ARG 26 3.915 -1.545 9.380 197 HH12 ARG 26 2HH1 ARG 26 3.953 -0.566 10.711 198 HH21 ARG 26 1HH2 ARG 26 0.800 -1.736 12.051 199 HH22 ARG 26 2HH2 ARG 26 2.107 -0.677 12.312 200 H ALA 27 H ALA 27 0.364 -2.343 4.355 201 HA ALA 27 HA ALA 27 1.953 0.103 4.168 202 HB1 ALA 27 1HB ALA 27 1.926 -0.860 1.911 203 HB2 ALA 27 2HB ALA 27 1.021 0.651 1.981 204 HB3 ALA 27 3HB ALA 27 0.162 -0.889 1.947 205 H ARG 28 H ARG 28 0.591 2.008 4.005 206 HA ARG 28 HA ARG 28 -2.136 1.586 5.017 207 HB2 ARG 28 2HB ARG 28 -0.097 3.538 6.033 208 HB3 ARG 28 1HB ARG 28 -1.797 3.969 6.067 209 HG2 ARG 28 2HG ARG 28 -1.228 3.123 8.200 210 HG3 ARG 28 1HG ARG 28 -2.205 1.898 7.397 211 HD2 ARG 28 2HD ARG 28 -0.406 0.791 8.475 212 HD3 ARG 28 1HD ARG 28 -0.074 0.775 6.743 213 HE ARG 28 HE ARG 28 1.077 2.997 8.078 214 HH11 ARG 28 1HH1 ARG 28 1.594 -0.319 7.018 215 HH12 ARG 28 2HH1 ARG 28 3.241 -0.380 7.462 216 HH21 ARG 28 1HH2 ARG 28 3.432 2.927 8.703 217 HH22 ARG 28 2HH2 ARG 28 4.246 1.447 8.475 218 H VAL 29 H VAL 29 -3.665 2.629 4.103 219 HA VAL 29 HA VAL 29 -3.186 4.111 1.656 220 HB VAL 29 HB VAL 29 -5.726 3.948 3.297 221 HG11 VAL 29 1HG1 VAL 29 -5.742 5.705 1.608 222 HG12 VAL 29 2HG1 VAL 29 -6.858 4.416 1.154 223 HG13 VAL 29 3HG1 VAL 29 -5.285 4.540 0.366 224 HG21 VAL 29 1HG2 VAL 29 -6.448 2.092 1.883 225 HG22 VAL 29 2HG2 VAL 29 -4.970 1.672 2.753 226 HG23 VAL 29 3HG2 VAL 29 -4.901 2.110 1.046 227 H ILE 30 H ILE 30 -2.444 6.014 1.634 228 HA ILE 30 HA ILE 30 -2.715 7.779 3.985 229 HB ILE 30 HB ILE 30 -1.319 8.354 1.361 230 HG12 ILE 30 2HG1 ILE 30 -0.116 7.461 3.990 231 HG13 ILE 30 1HG1 ILE 30 -0.174 6.517 2.505 232 HG21 ILE 30 1HG2 ILE 30 -0.248 10.200 2.593 233 HG22 ILE 30 2HG2 ILE 30 -1.205 9.796 4.017 234 HG23 ILE 30 3HG2 ILE 30 -2.004 10.371 2.554 235 HD11 ILE 30 1HD1 ILE 30 1.300 8.095 1.408 236 HD12 ILE 30 2HD1 ILE 30 2.034 7.537 2.921 237 HD13 ILE 30 3HD1 ILE 30 1.286 9.127 2.835 238 H ARG 31 H ARG 31 -3.854 7.656 0.667 239 HA ARG 31 HA ARG 31 -5.928 9.297 1.571 240 HB2 ARG 31 2HB ARG 31 -4.920 11.099 1.019 241 HB3 ARG 31 1HB ARG 31 -3.638 10.101 0.900 242 HG2 ARG 31 2HG ARG 31 -3.725 9.598 -1.408 243 HG3 ARG 31 1HG ARG 31 -5.145 10.590 -1.603 244 HD2 ARG 31 2HD ARG 31 -3.067 11.600 -2.373 245 HD3 ARG 31 1HD ARG 31 -3.871 12.596 -1.156 246 HE ARG 31 HE ARG 31 -2.300 11.746 0.515 247 HH11 ARG 31 1HH1 ARG 31 -1.038 11.494 -2.870 248 HH12 ARG 31 2HH1 ARG 31 0.561 11.226 -2.291 249 HH21 ARG 31 1HH2 ARG 31 0.058 11.425 1.086 250 HH22 ARG 31 2HH2 ARG 31 1.124 11.173 -0.232 251 H VAL 32 H VAL 32 -7.307 9.507 -0.004 252 HA VAL 32 HA VAL 32 -7.216 7.401 -2.039 253 HB VAL 32 HB VAL 32 -8.913 6.825 -0.380 254 HG11 VAL 32 1HG1 VAL 32 -9.462 9.006 0.489 255 HG12 VAL 32 2HG1 VAL 32 -10.930 8.170 -0.022 256 HG13 VAL 32 3HG1 VAL 32 -10.243 9.444 -1.030 257 HG21 VAL 32 1HG2 VAL 32 -10.175 7.679 -2.987 258 HG22 VAL 32 2HG2 VAL 32 -10.893 6.557 -1.832 259 HG23 VAL 32 3HG2 VAL 32 -9.392 6.133 -2.654 260 H LYS 33 H LYS 33 -6.955 8.023 -3.968 261 HA LYS 33 HA LYS 33 -8.109 10.531 -4.881 262 HB2 LYS 33 2HB LYS 33 -5.728 9.094 -5.027 263 HB3 LYS 33 1HB LYS 33 -6.067 9.708 -6.576 264 HG2 LYS 33 2HG LYS 33 -6.087 11.979 -5.667 265 HG3 LYS 33 1HG LYS 33 -5.989 11.342 -4.020 266 HD2 LYS 33 2HD LYS 33 -3.920 10.719 -4.196 267 HD3 LYS 33 1HD LYS 33 -3.953 10.435 -5.918 268 HE2 LYS 33 2HE LYS 33 -3.847 13.118 -4.445 269 HE3 LYS 33 1HE LYS 33 -2.559 12.443 -5.442 270 HZ1 LYS 33 1HZ LYS 33 -3.759 14.180 -6.638 271 HZ2 LYS 33 2HZ LYS 33 -5.217 13.378 -6.418 272 HZ3 LYS 33 3HZ LYS 33 -4.034 12.693 -7.397 273 H SER 34 H SER 34 -8.581 10.475 -7.129 274 HA SER 34 HA SER 34 -9.681 7.994 -7.735 275 HB2 SER 34 2HB SER 34 -10.830 9.460 -9.595 276 HB3 SER 34 1HB SER 34 -11.322 9.641 -7.906 277 HG SER 34 HG SER 34 -10.914 11.670 -8.709 278 H GLY 35 H GLY 35 -9.718 7.708 -10.429 279 HA2 GLY 35 2HA GLY 35 -8.442 7.363 -12.324 280 HA3 GLY 35 1HA GLY 35 -7.187 8.391 -11.633 281 H GLY 36 H GLY 36 -8.178 6.204 -9.415 282 HA2 GLY 36 2HA GLY 36 -7.316 4.239 -8.582 283 HA3 GLY 36 1HA GLY 36 -6.462 4.014 -10.107 284 H ARG 37 H ARG 37 -6.197 7.005 -8.399 285 HA ARG 37 HA ARG 37 -3.346 6.489 -7.872 286 HB2 ARG 37 2HB ARG 37 -4.649 8.390 -9.007 287 HB3 ARG 37 1HB ARG 37 -4.521 9.106 -7.397 288 HG2 ARG 37 2HG ARG 37 -2.176 8.282 -9.171 289 HG3 ARG 37 1HG ARG 37 -2.573 9.918 -8.651 290 HD2 ARG 37 2HD ARG 37 -2.229 9.159 -6.302 291 HD3 ARG 37 1HD ARG 37 -1.674 7.633 -6.901 292 HE ARG 37 HE ARG 37 -0.140 9.684 -8.094 293 HH11 ARG 37 1HH1 ARG 37 -0.332 7.808 -5.056 294 HH12 ARG 37 2HH1 ARG 37 1.091 8.539 -4.415 295 HH21 ARG 37 1HH2 ARG 37 1.966 10.561 -7.046 296 HH22 ARG 37 2HH2 ARG 37 2.296 9.977 -5.471 297 H VAL 38 H VAL 38 -5.043 5.259 -6.523 298 HA VAL 38 HA VAL 38 -5.434 6.412 -3.945 299 HB VAL 38 HB VAL 38 -5.760 4.047 -3.075 300 HG11 VAL 38 1HG1 VAL 38 -7.482 4.971 -5.369 301 HG12 VAL 38 2HG1 VAL 38 -7.615 5.490 -3.690 302 HG13 VAL 38 3HG1 VAL 38 -7.970 3.817 -4.125 303 HG21 VAL 38 1HG2 VAL 38 -6.169 2.282 -4.735 304 HG22 VAL 38 2HG2 VAL 38 -4.495 2.838 -4.780 305 HG23 VAL 38 3HG2 VAL 38 -5.635 3.371 -6.015 306 H VAL 39 H VAL 39 -4.112 6.791 -2.521 307 HA VAL 39 HA VAL 39 -1.351 6.141 -3.030 308 HB VAL 39 HB VAL 39 -2.666 8.086 -1.178 309 HG11 VAL 39 1HG1 VAL 39 0.217 7.777 -1.905 310 HG12 VAL 39 2HG1 VAL 39 -0.502 7.365 -0.351 311 HG13 VAL 39 3HG1 VAL 39 -0.460 9.051 -0.889 312 HG21 VAL 39 1HG2 VAL 39 -1.892 9.770 -2.765 313 HG22 VAL 39 2HG2 VAL 39 -2.999 8.620 -3.525 314 HG23 VAL 39 3HG2 VAL 39 -1.263 8.497 -3.802 315 H VAL 40 H VAL 40 -0.283 4.765 -1.831 316 HA VAL 40 HA VAL 40 -1.118 4.373 0.886 317 HB VAL 40 HB VAL 40 -0.580 1.914 0.694 318 HG11 VAL 40 1HG1 VAL 40 -2.848 2.843 -1.063 319 HG12 VAL 40 2HG1 VAL 40 -2.911 2.459 0.667 320 HG13 VAL 40 3HG1 VAL 40 -2.626 1.187 -0.508 321 HG21 VAL 40 1HG2 VAL 40 -0.559 2.452 -2.266 322 HG22 VAL 40 2HG2 VAL 40 -0.545 0.856 -1.521 323 HG23 VAL 40 3HG2 VAL 40 0.814 1.954 -1.276 324 H GLN 41 H GLN 41 0.723 3.698 2.117 325 HA GLN 41 HA GLN 41 3.285 3.940 0.725 326 HB2 GLN 41 2HB GLN 41 2.854 6.067 1.756 327 HB3 GLN 41 1HB GLN 41 2.515 5.311 3.302 328 HG2 GLN 41 2HG GLN 41 4.888 4.550 3.368 329 HG3 GLN 41 1HG GLN 41 5.179 5.436 1.879 330 HE21 GLN 41 1HE2 GLN 41 4.584 5.653 5.256 331 HE22 GLN 41 2HE2 GLN 41 4.955 7.343 5.392 332 H SER 42 H SER 42 4.511 2.361 1.108 333 HA SER 42 HA SER 42 3.933 0.259 2.989 334 HB2 SER 42 2HB SER 42 6.399 0.844 1.336 335 HB3 SER 42 1HB SER 42 6.100 -0.677 2.196 336 HG SER 42 HG SER 42 5.600 -0.277 -0.185 337 H ASP 43 H ASP 43 5.421 -0.453 4.694 338 HA ASP 43 HA ASP 43 6.008 1.557 6.497 339 HB2 ASP 43 2HB ASP 43 6.721 -1.341 6.455 340 HB3 ASP 43 1HB ASP 43 7.526 -0.305 7.626 341 H GLN 44 H GLN 44 7.860 0.668 3.867 342 HA GLN 44 HA GLN 44 10.361 1.571 5.016 343 HB2 GLN 44 2HB GLN 44 9.752 0.723 2.181 344 HB3 GLN 44 1HB GLN 44 11.359 1.104 2.785 345 HG2 GLN 44 2HG GLN 44 11.345 -1.205 2.835 346 HG3 GLN 44 1HG GLN 44 10.871 -0.809 4.483 347 HE21 GLN 44 1HE2 GLN 44 8.802 -0.668 1.589 348 HE22 GLN 44 2HE2 GLN 44 7.757 -1.933 2.113 349 H GLY 45 H GLY 45 7.820 3.239 4.347 350 HA2 GLY 45 2HA GLY 45 7.479 5.496 4.051 351 HA3 GLY 45 1HA GLY 45 9.222 5.680 4.002 352 H ARG 46 H ARG 46 7.303 3.708 1.806 353 HA ARG 46 HA ARG 46 8.144 5.419 -0.360 354 HB2 ARG 46 2HB ARG 46 7.854 2.469 0.043 355 HB3 ARG 46 1HB ARG 46 7.808 3.172 -1.572 356 HG2 ARG 46 2HG ARG 46 10.016 3.790 -1.421 357 HG3 ARG 46 1HG ARG 46 9.977 3.821 0.341 358 HD2 ARG 46 2HD ARG 46 11.249 1.957 -0.409 359 HD3 ARG 46 1HD ARG 46 9.793 1.408 0.381 360 HE ARG 46 HE ARG 46 8.952 0.631 -1.628 361 HH11 ARG 46 1HH1 ARG 46 12.095 2.174 -2.174 362 HH12 ARG 46 2HH1 ARG 46 12.495 1.231 -3.542 363 HH21 ARG 46 1HH2 ARG 46 9.507 -0.679 -3.376 364 HH22 ARG 46 2HH2 ARG 46 10.920 -0.484 -4.314 365 H GLU 47 H GLU 47 6.432 6.663 -0.876 366 HA GLU 47 HA GLU 47 3.697 5.706 -0.701 367 HB2 GLU 47 2HB GLU 47 4.262 8.143 -0.300 368 HB3 GLU 47 1HB GLU 47 4.784 8.261 -1.980 369 HG2 GLU 47 2HG GLU 47 2.423 7.356 -2.524 370 HG3 GLU 47 1HG GLU 47 2.039 7.845 -0.885 371 H PHE 48 H PHE 48 2.532 5.052 -2.454 372 HA PHE 48 HA PHE 48 3.441 5.560 -5.106 373 HB2 PHE 48 2HB PHE 48 3.380 3.106 -5.770 374 HB3 PHE 48 1HB PHE 48 4.771 3.595 -4.818 375 HD1 PHE 48 HD1 PHE 48 4.743 3.099 -2.353 376 HD2 PHE 48 HD2 PHE 48 2.017 1.317 -5.076 377 HE1 PHE 48 HE1 PHE 48 4.322 1.328 -0.742 378 HE2 PHE 48 HE2 PHE 48 1.582 -0.479 -3.449 379 HZ PHE 48 HZ PHE 48 2.773 -0.448 -1.241 380 H THR 49 H THR 49 1.905 4.523 -6.681 381 HA THR 49 HA THR 49 -0.759 4.936 -5.620 382 HB THR 49 HB THR 49 -0.184 6.385 -7.498 383 HG1 THR 49 HG1 THR 49 -2.170 4.451 -8.003 384 HG21 THR 49 1HG2 THR 49 0.320 3.878 -9.110 385 HG22 THR 49 2HG2 THR 49 1.533 5.058 -8.617 386 HG23 THR 49 3HG2 THR 49 0.272 5.516 -9.763 387 H ALA 50 H ALA 50 -2.061 3.266 -5.410 388 HA ALA 50 HA ALA 50 -0.991 0.705 -6.334 389 HB1 ALA 50 1HB ALA 50 -1.251 0.937 -3.921 390 HB2 ALA 50 2HB ALA 50 -2.320 -0.310 -4.567 391 HB3 ALA 50 3HB ALA 50 -2.969 1.271 -4.133 392 H ARG 51 H ARG 51 -2.662 -0.933 -6.827 393 HA ARG 51 HA ARG 51 -5.008 0.274 -8.103 394 HB2 ARG 51 2HB ARG 51 -3.411 -2.118 -9.096 395 HB3 ARG 51 1HB ARG 51 -4.877 -1.497 -9.836 396 HG2 ARG 51 2HG ARG 51 -2.246 -0.022 -9.638 397 HG3 ARG 51 1HG ARG 51 -2.875 -0.819 -11.080 398 HD2 ARG 51 2HD ARG 51 -4.774 0.724 -11.114 399 HD3 ARG 51 1HD ARG 51 -4.199 1.487 -9.634 400 HE ARG 51 HE ARG 51 -2.149 1.606 -11.476 401 HH11 ARG 51 1HH1 ARG 51 -5.412 2.888 -11.199 402 HH12 ARG 51 2HH1 ARG 51 -5.124 4.373 -11.967 403 HH21 ARG 51 1HH2 ARG 51 -1.683 3.654 -12.625 404 HH22 ARG 51 2HH2 ARG 51 -2.929 4.797 -12.828 405 H GLY 52 H GLY 52 -6.898 -1.159 -8.061 406 HA2 GLY 52 2HA GLY 52 -7.326 -2.145 -5.481 407 HA3 GLY 52 1HA GLY 52 -8.396 -2.421 -6.833 408 H ASN 53 H ASN 53 -5.973 -3.860 -8.129 409 HA ASN 53 HA ASN 53 -6.600 -6.415 -6.898 410 HB2 ASN 53 2HB ASN 53 -5.091 -5.762 -9.436 411 HB3 ASN 53 1HB ASN 53 -5.344 -7.396 -8.838 412 HD21 ASN 53 1HD2 ASN 53 -8.066 -6.865 -7.888 413 HD22 ASN 53 2HD2 ASN 53 -9.021 -6.744 -9.325 414 H GLN 54 H GLN 54 -4.301 -4.059 -6.496 415 HA GLN 54 HA GLN 54 -2.204 -5.944 -5.749 416 HB2 GLN 54 2HB GLN 54 -2.158 -2.948 -6.036 417 HB3 GLN 54 1HB GLN 54 -0.779 -3.960 -5.674 418 HG2 GLN 54 2HG GLN 54 -1.055 -5.025 -7.899 419 HG3 GLN 54 1HG GLN 54 -2.367 -3.896 -8.229 420 HE21 GLN 54 1HE2 GLN 54 0.651 -3.125 -6.508 421 HE22 GLN 54 2HE2 GLN 54 1.234 -2.059 -7.713 422 H VAL 55 H VAL 55 -4.873 -4.590 -4.450 423 HA VAL 55 HA VAL 55 -3.604 -4.145 -1.830 424 HB VAL 55 HB VAL 55 -6.123 -2.766 -2.756 425 HG11 VAL 55 1HG1 VAL 55 -5.996 -2.997 -0.382 426 HG12 VAL 55 2HG1 VAL 55 -5.796 -1.299 -0.815 427 HG13 VAL 55 3HG1 VAL 55 -4.396 -2.261 -0.348 428 HG21 VAL 55 1HG2 VAL 55 -4.851 -0.662 -2.956 429 HG22 VAL 55 2HG2 VAL 55 -4.313 -1.876 -4.117 430 HG23 VAL 55 3HG2 VAL 55 -3.358 -1.556 -2.670 431 H ARG 56 H ARG 56 -4.311 -5.200 -0.266 432 HA ARG 56 HA ARG 56 -6.894 -6.450 -0.487 433 HB2 ARG 56 2HB ARG 56 -4.268 -7.641 0.215 434 HB3 ARG 56 1HB ARG 56 -5.808 -8.393 0.587 435 HG2 ARG 56 2HG ARG 56 -5.147 -7.542 -2.163 436 HG3 ARG 56 1HG ARG 56 -4.532 -9.072 -1.605 437 HD2 ARG 56 2HD ARG 56 -7.404 -8.128 -1.904 438 HD3 ARG 56 1HD ARG 56 -6.624 -9.489 -2.723 439 HE ARG 56 HE ARG 56 -6.415 -10.204 -0.162 440 HH11 ARG 56 1HH1 ARG 56 -9.318 -9.208 -1.995 441 HH12 ARG 56 2HH1 ARG 56 -10.334 -10.023 -0.863 442 HH21 ARG 56 1HH2 ARG 56 -7.903 -11.194 1.273 443 HH22 ARG 56 2HH2 ARG 56 -9.563 -11.098 0.910 444 H LEU 57 H LEU 57 -7.901 -6.234 1.254 445 HA LEU 57 HA LEU 57 -6.942 -4.818 3.542 446 HB2 LEU 57 2HB LEU 57 -9.089 -5.182 4.538 447 HB3 LEU 57 1HB LEU 57 -9.344 -4.808 2.849 448 HG LEU 57 HG LEU 57 -9.283 -7.584 3.901 449 HD11 LEU 57 1HD1 LEU 57 -11.068 -6.379 5.086 450 HD12 LEU 57 2HD1 LEU 57 -11.797 -7.485 3.922 451 HD13 LEU 57 3HD1 LEU 57 -11.694 -5.764 3.556 452 HD21 LEU 57 1HD2 LEU 57 -9.080 -7.490 1.497 453 HD22 LEU 57 2HD2 LEU 57 -10.472 -6.415 1.377 454 HD23 LEU 57 3HD2 LEU 57 -10.692 -8.088 1.889 455 H ILE 58 H ILE 58 -7.557 -5.994 5.795 456 HA ILE 58 HA ILE 58 -5.730 -8.139 5.973 457 HB ILE 58 HB ILE 58 -6.483 -8.373 8.329 458 HG12 ILE 58 2HG1 ILE 58 -8.065 -5.848 7.719 459 HG13 ILE 58 1HG1 ILE 58 -8.748 -7.418 8.117 460 HG21 ILE 58 1HG2 ILE 58 -4.498 -7.098 7.741 461 HG22 ILE 58 2HG2 ILE 58 -5.336 -6.263 9.050 462 HG23 ILE 58 3HG2 ILE 58 -5.479 -5.673 7.395 463 HD11 ILE 58 1HD1 ILE 58 -7.094 -5.689 9.947 464 HD12 ILE 58 2HD1 ILE 58 -7.775 -7.263 10.358 465 HD13 ILE 58 3HD1 ILE 58 -8.843 -5.902 10.013 466 H GLU 59 H GLU 59 -6.643 -9.370 4.465 467 HA GLU 59 HA GLU 59 -8.127 -11.626 5.451 468 HB2 GLU 59 2HB GLU 59 -9.871 -10.054 4.485 469 HB3 GLU 59 1HB GLU 59 -8.986 -10.055 2.973 470 HG2 GLU 59 2HG GLU 59 -9.440 -12.493 2.773 471 HG3 GLU 59 1HG GLU 59 -10.428 -12.389 4.230 Start of MODEL 17 1 H1 SER 1 1H SER 1 -20.241 -0.985 -8.428 2 H2 SER 1 2H SER 1 -18.813 -0.769 -7.556 3 H3 SER 1 3H SER 1 -19.962 0.474 -7.571 4 HA SER 1 HA SER 1 -19.917 -0.779 -5.524 5 HB2 SER 1 2HB SER 1 -22.103 0.143 -6.395 6 HB3 SER 1 1HB SER 1 -22.402 -1.414 -7.161 7 HG SER 1 HG SER 1 -22.757 -2.318 -5.227 8 H ASN 2 H ASN 2 -18.443 -2.454 -5.371 9 HA ASN 2 HA ASN 2 -19.292 -5.100 -5.526 10 HB2 ASN 2 2HB ASN 2 -18.896 -4.662 -8.011 11 HB3 ASN 2 1HB ASN 2 -17.274 -4.129 -7.621 12 HD21 ASN 2 1HD2 ASN 2 -16.381 -5.679 -8.964 13 HD22 ASN 2 2HD2 ASN 2 -16.360 -7.358 -8.556 14 H ALA 3 H ALA 3 -16.867 -6.252 -5.382 15 HA ALA 3 HA ALA 3 -15.609 -4.708 -3.262 16 HB1 ALA 3 1HB ALA 3 -16.482 -6.872 -2.569 17 HB2 ALA 3 2HB ALA 3 -14.719 -6.885 -2.476 18 HB3 ALA 3 3HB ALA 3 -15.538 -7.676 -3.823 19 H MET 4 H MET 4 -15.077 -4.239 -6.098 20 HA MET 4 HA MET 4 -12.371 -5.363 -6.399 21 HB2 MET 4 2HB MET 4 -13.914 -6.084 -8.166 22 HB3 MET 4 1HB MET 4 -14.274 -4.410 -8.543 23 HG2 MET 4 2HG MET 4 -11.980 -4.067 -9.279 24 HG3 MET 4 1HG MET 4 -11.588 -5.734 -8.859 25 HE1 MET 4 1HE MET 4 -10.616 -6.083 -11.330 26 HE2 MET 4 2HE MET 4 -11.037 -4.418 -11.726 27 HE3 MET 4 3HE MET 4 -11.535 -5.729 -12.794 28 H GLU 5 H GLU 5 -14.249 -2.596 -6.277 29 HA GLU 5 HA GLU 5 -12.072 -0.851 -6.936 30 HB2 GLU 5 2HB GLU 5 -13.727 0.989 -6.467 31 HB3 GLU 5 1HB GLU 5 -14.167 -0.072 -7.789 32 HG2 GLU 5 2HG GLU 5 -15.277 -0.537 -5.043 33 HG3 GLU 5 1HG GLU 5 -15.966 0.701 -6.083 34 H LEU 6 H LEU 6 -11.120 0.445 -5.537 35 HA LEU 6 HA LEU 6 -11.099 -0.549 -2.791 36 HB2 LEU 6 2HB LEU 6 -9.200 1.316 -4.150 37 HB3 LEU 6 1HB LEU 6 -9.097 0.704 -2.511 38 HG LEU 6 HG LEU 6 -8.943 -0.990 -4.994 39 HD11 LEU 6 1HD1 LEU 6 -7.013 0.482 -4.770 40 HD12 LEU 6 2HD1 LEU 6 -6.562 -1.190 -4.436 41 HD13 LEU 6 3HD1 LEU 6 -6.785 -0.053 -3.105 42 HD21 LEU 6 1HD2 LEU 6 -8.487 -1.667 -2.082 43 HD22 LEU 6 2HD2 LEU 6 -8.183 -2.750 -3.436 44 HD23 LEU 6 3HD2 LEU 6 -9.826 -2.229 -3.084 45 H ASP 7 H ASP 7 -12.917 0.390 -1.966 46 HA ASP 7 HA ASP 7 -12.562 3.238 -1.519 47 HB2 ASP 7 2HB ASP 7 -14.888 2.683 -1.896 48 HB3 ASP 7 1HB ASP 7 -14.860 1.464 -0.612 49 H LEU 8 H LEU 8 -10.861 3.234 -0.480 50 HA LEU 8 HA LEU 8 -10.843 2.048 2.186 51 HB2 LEU 8 2HB LEU 8 -8.618 2.385 0.211 52 HB3 LEU 8 1HB LEU 8 -8.360 1.971 1.907 53 HG LEU 8 HG LEU 8 -9.782 0.292 -0.174 54 HD11 LEU 8 1HD1 LEU 8 -7.843 -1.187 0.040 55 HD12 LEU 8 2HD1 LEU 8 -7.083 -0.019 1.122 56 HD13 LEU 8 3HD1 LEU 8 -7.395 0.409 -0.560 57 HD21 LEU 8 1HD2 LEU 8 -10.702 -0.089 2.060 58 HD22 LEU 8 2HD2 LEU 8 -9.078 -0.323 2.699 59 HD23 LEU 8 3HD2 LEU 8 -9.741 -1.474 1.541 60 H GLN 9 H GLN 9 -10.561 3.480 3.695 61 HA GLN 9 HA GLN 9 -10.471 6.197 2.860 62 HB2 GLN 9 2HB GLN 9 -11.089 4.895 5.488 63 HB3 GLN 9 1HB GLN 9 -10.947 6.632 5.319 64 HG2 GLN 9 2HG GLN 9 -12.953 4.857 3.934 65 HG3 GLN 9 1HG GLN 9 -13.276 6.011 5.229 66 HE21 GLN 9 1HE2 GLN 9 -12.868 5.594 1.811 67 HE22 GLN 9 2HE2 GLN 9 -13.086 7.233 1.400 68 HA PRO 10 HA PRO 10 -6.335 6.949 3.966 69 HB2 PRO 10 2HB PRO 10 -6.912 9.505 5.197 70 HB3 PRO 10 1HB PRO 10 -6.149 9.182 3.643 71 HG2 PRO 10 2HG PRO 10 -8.648 10.263 3.848 72 HG3 PRO 10 1HG PRO 10 -8.069 9.359 2.441 73 HD2 PRO 10 2HD PRO 10 -9.894 8.465 4.587 74 HD3 PRO 10 1HD PRO 10 -9.816 8.003 2.888 75 H GLY 11 H GLY 11 -5.732 5.673 5.542 76 HA2 GLY 11 2HA GLY 11 -4.989 6.053 7.986 77 HA3 GLY 11 1HA GLY 11 -6.728 6.065 8.265 78 H ASP 12 H ASP 12 -6.801 4.075 5.881 79 HA ASP 12 HA ASP 12 -7.086 1.740 7.463 80 HB2 ASP 12 2HB ASP 12 -8.195 2.519 5.183 81 HB3 ASP 12 1HB ASP 12 -6.819 1.698 4.487 82 H VAL 13 H VAL 13 -5.940 -0.295 6.909 83 HA VAL 13 HA VAL 13 -3.150 0.095 6.128 84 HB VAL 13 HB VAL 13 -3.931 -1.469 8.622 85 HG11 VAL 13 1HG1 VAL 13 -1.210 -0.798 7.505 86 HG12 VAL 13 2HG1 VAL 13 -1.987 -2.377 7.454 87 HG13 VAL 13 3HG1 VAL 13 -1.522 -1.672 9.006 88 HG21 VAL 13 1HG2 VAL 13 -2.749 0.258 9.917 89 HG22 VAL 13 2HG2 VAL 13 -4.136 0.931 9.060 90 HG23 VAL 13 3HG2 VAL 13 -2.505 1.195 8.443 91 H VAL 14 H VAL 14 -2.809 -1.245 4.560 92 HA VAL 14 HA VAL 14 -4.185 -3.862 4.448 93 HB VAL 14 HB VAL 14 -4.495 -3.453 1.992 94 HG11 VAL 14 1HG1 VAL 14 -6.480 -2.046 2.198 95 HG12 VAL 14 2HG1 VAL 14 -5.905 -1.432 3.744 96 HG13 VAL 14 3HG1 VAL 14 -6.378 -3.118 3.598 97 HG21 VAL 14 1HG2 VAL 14 -2.828 -1.692 1.714 98 HG22 VAL 14 2HG2 VAL 14 -3.781 -0.609 2.725 99 HG23 VAL 14 3HG2 VAL 14 -4.408 -1.133 1.164 100 H LYS 15 H LYS 15 -3.204 -5.253 2.759 101 HA LYS 15 HA LYS 15 -0.332 -4.792 2.632 102 HB2 LYS 15 2HB LYS 15 -0.341 -7.261 1.938 103 HB3 LYS 15 1HB LYS 15 -0.622 -6.909 3.628 104 HG2 LYS 15 2HG LYS 15 -2.960 -7.276 3.375 105 HG3 LYS 15 1HG LYS 15 -2.819 -7.440 1.634 106 HD2 LYS 15 2HD LYS 15 -1.408 -9.406 1.977 107 HD3 LYS 15 1HD LYS 15 -1.596 -9.259 3.729 108 HE2 LYS 15 2HE LYS 15 -4.059 -9.500 3.408 109 HE3 LYS 15 1HE LYS 15 -3.769 -9.788 1.696 110 HZ1 LYS 15 1HZ LYS 15 -4.077 -11.829 2.950 111 HZ2 LYS 15 2HZ LYS 15 -2.950 -11.481 3.988 112 HZ3 LYS 15 3HZ LYS 15 -2.482 -11.848 2.369 113 H VAL 16 H VAL 16 0.504 -4.274 0.830 114 HA VAL 16 HA VAL 16 -1.079 -4.605 -1.613 115 HB VAL 16 HB VAL 16 0.791 -2.311 -1.000 116 HG11 VAL 16 1HG1 VAL 16 -0.248 -1.248 -2.974 117 HG12 VAL 16 2HG1 VAL 16 -1.139 -2.744 -3.270 118 HG13 VAL 16 3HG1 VAL 16 0.622 -2.735 -3.351 119 HG21 VAL 16 1HG2 VAL 16 -1.254 -0.897 -0.820 120 HG22 VAL 16 2HG2 VAL 16 -1.085 -2.083 0.471 121 HG23 VAL 16 3HG2 VAL 16 -2.219 -2.375 -0.844 122 H LEU 17 H LEU 17 -0.015 -5.657 -3.113 123 HA LEU 17 HA LEU 17 2.823 -6.074 -2.700 124 HB2 LEU 17 2HB LEU 17 1.501 -8.083 -3.185 125 HB3 LEU 17 1HB LEU 17 0.936 -7.419 -4.684 126 HG LEU 17 HG LEU 17 3.871 -8.003 -4.205 127 HD11 LEU 17 1HD1 LEU 17 1.765 -9.837 -5.359 128 HD12 LEU 17 2HD1 LEU 17 2.597 -10.059 -3.820 129 HD13 LEU 17 3HD1 LEU 17 3.499 -10.149 -5.333 130 HD21 LEU 17 1HD2 LEU 17 3.957 -8.174 -6.647 131 HD22 LEU 17 2HD2 LEU 17 3.344 -6.596 -6.156 132 HD23 LEU 17 3HD2 LEU 17 2.229 -7.831 -6.743 133 H GLU 18 H GLU 18 3.937 -4.503 -3.317 134 HA GLU 18 HA GLU 18 3.203 -2.718 -5.410 135 HB2 GLU 18 2HB GLU 18 4.622 -1.928 -3.603 136 HB3 GLU 18 1HB GLU 18 5.874 -3.089 -4.035 137 HG2 GLU 18 2HG GLU 18 5.884 -1.964 -6.320 138 HG3 GLU 18 1HG GLU 18 4.991 -0.661 -5.563 139 H SER 19 H SER 19 6.058 -4.699 -5.012 140 HA SER 19 HA SER 19 6.200 -5.191 -7.879 141 HB2 SER 19 2HB SER 19 8.289 -4.362 -5.890 142 HB3 SER 19 1HB SER 19 8.727 -4.995 -7.500 143 HG SER 19 HG SER 19 7.852 -2.522 -6.681 144 H ALA 20 H ALA 20 7.024 -7.220 -8.425 145 HA ALA 20 HA ALA 20 6.338 -9.354 -6.750 146 HB1 ALA 20 1HB ALA 20 6.352 -9.492 -9.199 147 HB2 ALA 20 2HB ALA 20 7.281 -10.797 -8.464 148 HB3 ALA 20 3HB ALA 20 8.114 -9.421 -9.185 149 H ALA 21 H ALA 21 9.296 -7.610 -7.000 150 HA ALA 21 HA ALA 21 10.892 -9.685 -5.768 151 HB1 ALA 21 1HB ALA 21 12.731 -8.091 -5.923 152 HB2 ALA 21 2HB ALA 21 11.605 -6.823 -6.408 153 HB3 ALA 21 3HB ALA 21 11.877 -8.210 -7.463 154 H LEU 22 H LEU 22 8.654 -7.622 -4.599 155 HA LEU 22 HA LEU 22 9.999 -7.416 -1.983 156 HB2 LEU 22 2HB LEU 22 7.903 -5.567 -3.132 157 HB3 LEU 22 1HB LEU 22 8.528 -5.482 -1.502 158 HG LEU 22 HG LEU 22 10.104 -4.972 -4.028 159 HD11 LEU 22 1HD1 LEU 22 10.151 -2.660 -3.241 160 HD12 LEU 22 2HD1 LEU 22 9.117 -3.101 -1.883 161 HD13 LEU 22 3HD1 LEU 22 8.501 -3.210 -3.532 162 HD21 LEU 22 1HD2 LEU 22 11.522 -5.932 -2.285 163 HD22 LEU 22 2HD2 LEU 22 10.919 -4.748 -1.128 164 HD23 LEU 22 3HD2 LEU 22 11.883 -4.219 -2.506 165 H GLY 23 H GLY 23 6.949 -7.844 -3.692 166 HA2 GLY 23 2HA GLY 23 5.349 -9.470 -3.193 167 HA3 GLY 23 1HA GLY 23 6.138 -9.720 -1.642 168 H TRP 24 H TRP 24 4.076 -9.638 -0.749 169 HA TRP 24 HA TRP 24 2.506 -7.277 -0.791 170 HB2 TRP 24 2HB TRP 24 2.430 -9.687 1.036 171 HB3 TRP 24 1HB TRP 24 1.219 -8.411 1.011 172 HD1 TRP 24 HD1 TRP 24 2.379 -11.478 -0.930 173 HE1 TRP 24 HE1 TRP 24 0.637 -11.999 -2.760 174 HE3 TRP 24 HE3 TRP 24 -0.511 -7.316 -0.480 175 HZ2 TRP 24 HZ2 TRP 24 -1.654 -10.781 -3.874 176 HZ3 TRP 24 HZ3 TRP 24 -2.427 -7.047 -1.954 177 HH2 TRP 24 HH2 TRP 24 -3.002 -8.752 -3.624 178 H VAL 25 H VAL 25 3.216 -5.495 0.095 179 HA VAL 25 HA VAL 25 4.575 -5.668 2.662 180 HB VAL 25 HB VAL 25 5.421 -3.345 2.195 181 HG11 VAL 25 1HG1 VAL 25 7.132 -4.005 0.554 182 HG12 VAL 25 2HG1 VAL 25 6.172 -5.426 0.142 183 HG13 VAL 25 3HG1 VAL 25 6.853 -5.263 1.759 184 HG21 VAL 25 1HG2 VAL 25 4.312 -3.831 -0.578 185 HG22 VAL 25 2HG2 VAL 25 5.343 -2.481 -0.106 186 HG23 VAL 25 3HG2 VAL 25 3.725 -2.636 0.579 187 H ARG 26 H ARG 26 3.850 -4.263 4.365 188 HA ARG 26 HA ARG 26 1.086 -3.834 4.080 189 HB2 ARG 26 2HB ARG 26 1.351 -3.277 6.528 190 HB3 ARG 26 1HB ARG 26 1.453 -4.974 6.079 191 HG2 ARG 26 2HG ARG 26 3.773 -3.126 6.756 192 HG3 ARG 26 1HG ARG 26 3.010 -4.225 7.896 193 HD2 ARG 26 2HD ARG 26 4.586 -5.719 7.277 194 HD3 ARG 26 1HD ARG 26 3.696 -5.870 5.762 195 HE ARG 26 HE ARG 26 5.563 -3.674 5.827 196 HH11 ARG 26 1HH1 ARG 26 5.130 -7.005 4.659 197 HH12 ARG 26 2HH1 ARG 26 6.650 -7.048 3.907 198 HH21 ARG 26 1HH2 ARG 26 7.580 -3.758 4.936 199 HH22 ARG 26 2HH2 ARG 26 8.146 -5.099 4.051 200 H ALA 27 H ALA 27 0.142 -1.975 3.893 201 HA ALA 27 HA ALA 27 1.774 0.426 4.174 202 HB1 ALA 27 1HB ALA 27 1.074 1.221 2.024 203 HB2 ALA 27 2HB ALA 27 0.099 -0.225 1.765 204 HB3 ALA 27 3HB ALA 27 1.857 -0.348 1.830 205 H ARG 28 H ARG 28 0.631 2.288 4.430 206 HA ARG 28 HA ARG 28 -2.154 1.908 5.346 207 HB2 ARG 28 2HB ARG 28 -0.739 2.715 7.152 208 HB3 ARG 28 1HB ARG 28 -0.073 3.972 6.116 209 HG2 ARG 28 2HG ARG 28 -2.266 5.041 5.988 210 HG3 ARG 28 1HG ARG 28 -2.946 3.782 7.009 211 HD2 ARG 28 2HD ARG 28 -1.595 4.489 8.863 212 HD3 ARG 28 1HD ARG 28 -0.720 5.635 7.842 213 HE ARG 28 HE ARG 28 -3.137 6.518 7.493 214 HH11 ARG 28 1HH1 ARG 28 -1.693 5.482 10.541 215 HH12 ARG 28 2HH1 ARG 28 -2.579 6.541 11.535 216 HH21 ARG 28 1HH2 ARG 28 -4.400 8.017 8.836 217 HH22 ARG 28 2HH2 ARG 28 -4.186 8.043 10.515 218 H VAL 29 H VAL 29 -3.695 2.870 4.306 219 HA VAL 29 HA VAL 29 -3.198 4.390 1.900 220 HB VAL 29 HB VAL 29 -5.732 4.236 3.544 221 HG11 VAL 29 1HG1 VAL 29 -6.872 4.702 1.402 222 HG12 VAL 29 2HG1 VAL 29 -5.303 4.806 0.606 223 HG13 VAL 29 3HG1 VAL 29 -5.743 5.984 1.840 224 HG21 VAL 29 1HG2 VAL 29 -4.910 2.376 1.309 225 HG22 VAL 29 2HG2 VAL 29 -6.452 2.356 2.159 226 HG23 VAL 29 3HG2 VAL 29 -4.967 1.964 3.020 227 H ILE 30 H ILE 30 -2.425 6.292 1.961 228 HA ILE 30 HA ILE 30 -2.820 7.837 4.362 229 HB ILE 30 HB ILE 30 -1.034 8.355 1.990 230 HG12 ILE 30 2HG1 ILE 30 -0.456 7.608 4.865 231 HG13 ILE 30 1HG1 ILE 30 -0.178 6.625 3.433 232 HG21 ILE 30 1HG2 ILE 30 -1.811 10.521 2.822 233 HG22 ILE 30 2HG2 ILE 30 -0.110 10.297 3.232 234 HG23 ILE 30 3HG2 ILE 30 -1.348 10.079 4.467 235 HD11 ILE 30 1HD1 ILE 30 1.240 9.195 4.099 236 HD12 ILE 30 2HD1 ILE 30 1.546 8.176 2.692 237 HD13 ILE 30 3HD1 ILE 30 1.891 7.573 4.314 238 H ARG 31 H ARG 31 -3.488 7.977 0.894 239 HA ARG 31 HA ARG 31 -5.525 9.892 1.422 240 HB2 ARG 31 2HB ARG 31 -3.652 11.244 1.119 241 HB3 ARG 31 1HB ARG 31 -3.071 9.968 0.055 242 HG2 ARG 31 2HG ARG 31 -3.386 11.775 -1.147 243 HG3 ARG 31 1HG ARG 31 -4.494 10.538 -1.656 244 HD2 ARG 31 2HD ARG 31 -5.699 12.585 -1.750 245 HD3 ARG 31 1HD ARG 31 -6.363 11.592 -0.463 246 HE ARG 31 HE ARG 31 -4.452 13.245 0.708 247 HH11 ARG 31 1HH1 ARG 31 -7.613 13.646 -0.859 248 HH12 ARG 31 2HH1 ARG 31 -8.075 15.006 0.037 249 HH21 ARG 31 1HH2 ARG 31 -5.084 15.150 1.991 250 HH22 ARG 31 2HH2 ARG 31 -6.582 15.889 1.717 251 H VAL 32 H VAL 32 -6.913 9.640 0.060 252 HA VAL 32 HA VAL 32 -6.649 7.785 -2.158 253 HB VAL 32 HB VAL 32 -8.603 7.285 -0.793 254 HG11 VAL 32 1HG1 VAL 32 -9.585 10.075 -1.347 255 HG12 VAL 32 2HG1 VAL 32 -9.041 9.438 0.204 256 HG13 VAL 32 3HG1 VAL 32 -10.509 8.806 -0.543 257 HG21 VAL 32 1HG2 VAL 32 -8.847 6.834 -3.165 258 HG22 VAL 32 2HG2 VAL 32 -9.453 8.468 -3.436 259 HG23 VAL 32 3HG2 VAL 32 -10.396 7.325 -2.480 260 H LYS 33 H LYS 33 -5.447 8.943 -3.495 261 HA LYS 33 HA LYS 33 -6.279 11.489 -4.571 262 HB2 LYS 33 2HB LYS 33 -4.304 9.509 -4.747 263 HB3 LYS 33 1HB LYS 33 -4.228 10.486 -6.157 264 HG2 LYS 33 2HG LYS 33 -3.557 12.418 -4.801 265 HG3 LYS 33 1HG LYS 33 -4.077 11.635 -3.315 266 HD2 LYS 33 2HD LYS 33 -2.275 10.101 -3.400 267 HD3 LYS 33 1HD LYS 33 -1.819 10.575 -5.014 268 HE2 LYS 33 2HE LYS 33 -1.176 12.847 -4.100 269 HE3 LYS 33 1HE LYS 33 -1.658 12.315 -2.498 270 HZ1 LYS 33 1HZ LYS 33 0.797 12.273 -2.877 271 HZ2 LYS 33 2HZ LYS 33 0.660 11.075 -4.009 272 HZ3 LYS 33 3HZ LYS 33 0.282 10.787 -2.429 273 H SER 34 H SER 34 -6.753 11.607 -6.830 274 HA SER 34 HA SER 34 -8.308 9.288 -7.435 275 HB2 SER 34 2HB SER 34 -9.596 11.390 -7.125 276 HB3 SER 34 1HB SER 34 -8.765 12.092 -8.508 277 HG SER 34 HG SER 34 -10.977 10.697 -8.516 278 H GLY 35 H GLY 35 -8.858 9.533 -10.090 279 HA2 GLY 35 2HA GLY 35 -8.034 9.253 -12.240 280 HA3 GLY 35 1HA GLY 35 -6.465 9.829 -11.684 281 H GLY 36 H GLY 36 -5.526 8.315 -10.042 282 HA2 GLY 36 2HA GLY 36 -5.913 5.617 -9.821 283 HA3 GLY 36 1HA GLY 36 -4.969 5.817 -11.304 284 H ARG 37 H ARG 37 -4.989 7.601 -8.239 285 HA ARG 37 HA ARG 37 -2.125 7.061 -7.939 286 HB2 ARG 37 2HB ARG 37 -3.452 9.279 -8.729 287 HB3 ARG 37 1HB ARG 37 -2.990 9.572 -7.060 288 HG2 ARG 37 2HG ARG 37 -1.036 8.820 -9.253 289 HG3 ARG 37 1HG ARG 37 -1.201 10.428 -8.547 290 HD2 ARG 37 2HD ARG 37 -0.644 9.445 -6.335 291 HD3 ARG 37 1HD ARG 37 -0.327 7.910 -7.113 292 HE ARG 37 HE ARG 37 1.241 9.712 -8.438 293 HH11 ARG 37 1HH1 ARG 37 0.998 8.426 -5.147 294 HH12 ARG 37 2HH1 ARG 37 2.505 9.021 -4.630 295 HH21 ARG 37 1HH2 ARG 37 3.486 10.413 -7.720 296 HH22 ARG 37 2HH2 ARG 37 3.937 10.062 -6.115 297 H VAL 38 H VAL 38 -4.499 5.994 -6.813 298 HA VAL 38 HA VAL 38 -5.070 6.928 -4.183 299 HB VAL 38 HB VAL 38 -4.877 4.015 -4.806 300 HG11 VAL 38 1HG1 VAL 38 -6.764 3.783 -3.224 301 HG12 VAL 38 2HG1 VAL 38 -6.693 5.522 -2.941 302 HG13 VAL 38 3HG1 VAL 38 -5.324 4.503 -2.503 303 HG21 VAL 38 1HG2 VAL 38 -7.228 4.041 -5.620 304 HG22 VAL 38 2HG2 VAL 38 -6.143 4.962 -6.660 305 HG23 VAL 38 3HG2 VAL 38 -7.206 5.802 -5.530 306 H VAL 39 H VAL 39 -3.885 6.874 -2.401 307 HA VAL 39 HA VAL 39 -1.238 5.847 -2.841 308 HB VAL 39 HB VAL 39 -2.145 8.506 -2.057 309 HG11 VAL 39 1HG1 VAL 39 -0.076 9.003 -0.758 310 HG12 VAL 39 2HG1 VAL 39 0.221 7.252 -0.661 311 HG13 VAL 39 3HG1 VAL 39 -1.213 7.948 0.078 312 HG21 VAL 39 1HG2 VAL 39 -0.053 9.080 -3.161 313 HG22 VAL 39 2HG2 VAL 39 -1.049 7.994 -4.131 314 HG23 VAL 39 3HG2 VAL 39 0.352 7.370 -3.263 315 H VAL 40 H VAL 40 -0.276 4.690 -1.541 316 HA VAL 40 HA VAL 40 -1.119 4.486 1.225 317 HB VAL 40 HB VAL 40 -0.602 2.048 1.141 318 HG11 VAL 40 1HG1 VAL 40 -2.751 2.865 -0.807 319 HG12 VAL 40 2HG1 VAL 40 -2.920 2.634 0.938 320 HG13 VAL 40 3HG1 VAL 40 -2.581 1.257 -0.105 321 HG21 VAL 40 1HG2 VAL 40 0.921 2.026 -0.762 322 HG22 VAL 40 2HG2 VAL 40 -0.404 2.423 -1.854 323 HG23 VAL 40 3HG2 VAL 40 -0.386 0.871 -1.020 324 H GLN 41 H GLN 41 0.669 4.138 2.535 325 HA GLN 41 HA GLN 41 3.254 4.127 1.170 326 HB2 GLN 41 2HB GLN 41 2.881 6.347 2.076 327 HB3 GLN 41 1HB GLN 41 2.540 5.673 3.650 328 HG2 GLN 41 2HG GLN 41 4.858 4.862 3.823 329 HG3 GLN 41 1HG GLN 41 5.221 5.525 2.242 330 HE21 GLN 41 1HE2 GLN 41 4.627 6.219 5.564 331 HE22 GLN 41 2HE2 GLN 41 5.131 7.875 5.483 332 H SER 42 H SER 42 4.358 2.529 1.628 333 HA SER 42 HA SER 42 3.621 0.629 3.651 334 HB2 SER 42 2HB SER 42 5.960 0.768 1.747 335 HB3 SER 42 1HB SER 42 5.517 -0.658 2.686 336 HG SER 42 HG SER 42 3.596 -0.713 1.537 337 H ASP 43 H ASP 43 5.259 -0.305 5.060 338 HA ASP 43 HA ASP 43 6.145 1.418 7.022 339 HB2 ASP 43 2HB ASP 43 7.438 -0.649 7.790 340 HB3 ASP 43 1HB ASP 43 5.699 -0.843 7.574 341 H GLN 44 H GLN 44 7.506 0.580 4.131 342 HA GLN 44 HA GLN 44 10.299 1.003 4.696 343 HB2 GLN 44 2HB GLN 44 8.783 0.718 2.103 344 HB3 GLN 44 1HB GLN 44 10.531 0.678 2.267 345 HG2 GLN 44 2HG GLN 44 10.451 -1.373 3.492 346 HG3 GLN 44 1HG GLN 44 8.701 -1.280 3.638 347 HE21 GLN 44 1HE2 GLN 44 8.273 -0.491 0.865 348 HE22 GLN 44 2HE2 GLN 44 8.588 -1.914 -0.069 349 H GLY 45 H GLY 45 7.842 3.104 4.707 350 HA2 GLY 45 2HA GLY 45 7.570 5.375 4.392 351 HA3 GLY 45 1HA GLY 45 9.324 5.457 4.286 352 H ARG 46 H ARG 46 7.006 3.813 2.308 353 HA ARG 46 HA ARG 46 8.113 5.153 -0.054 354 HB2 ARG 46 2HB ARG 46 8.937 2.907 0.462 355 HB3 ARG 46 1HB ARG 46 7.300 2.313 0.447 356 HG2 ARG 46 2HG ARG 46 7.164 2.608 -1.916 357 HG3 ARG 46 1HG ARG 46 8.740 3.432 -1.944 358 HD2 ARG 46 2HD ARG 46 9.793 1.479 -0.979 359 HD3 ARG 46 1HD ARG 46 8.252 0.656 -0.917 360 HE ARG 46 HE ARG 46 8.215 0.605 -3.318 361 HH11 ARG 46 1HH1 ARG 46 11.388 1.411 -1.961 362 HH12 ARG 46 2HH1 ARG 46 12.275 0.655 -3.213 363 HH21 ARG 46 1HH2 ARG 46 9.359 -0.465 -4.934 364 HH22 ARG 46 2HH2 ARG 46 11.058 -0.458 -5.032 365 H GLU 47 H GLU 47 6.418 6.528 -0.560 366 HA GLU 47 HA GLU 47 3.651 5.711 -0.413 367 HB2 GLU 47 2HB GLU 47 4.235 8.114 -0.077 368 HB3 GLU 47 1HB GLU 47 4.912 8.180 -1.703 369 HG2 GLU 47 2HG GLU 47 2.581 7.381 -2.473 370 HG3 GLU 47 1HG GLU 47 2.066 7.860 -0.868 371 H PHE 48 H PHE 48 2.586 4.775 -2.116 372 HA PHE 48 HA PHE 48 3.355 5.434 -4.766 373 HB2 PHE 48 2HB PHE 48 3.513 3.056 -5.576 374 HB3 PHE 48 1HB PHE 48 4.858 3.584 -4.586 375 HD1 PHE 48 HD1 PHE 48 5.165 2.670 -2.351 376 HD2 PHE 48 HD2 PHE 48 2.043 1.299 -4.882 377 HE1 PHE 48 HE1 PHE 48 4.936 0.658 -0.965 378 HE2 PHE 48 HE2 PHE 48 1.799 -0.714 -3.493 379 HZ PHE 48 HZ PHE 48 3.259 -1.038 -1.534 380 H THR 49 H THR 49 1.886 4.023 -6.330 381 HA THR 49 HA THR 49 -0.754 4.664 -5.351 382 HB THR 49 HB THR 49 -0.095 5.658 -7.520 383 HG1 THR 49 HG1 THR 49 -1.976 4.910 -8.713 384 HG21 THR 49 1HG2 THR 49 0.049 2.804 -8.522 385 HG22 THR 49 2HG2 THR 49 1.413 3.906 -8.340 386 HG23 THR 49 3HG2 THR 49 0.155 4.249 -9.530 387 H ALA 50 H ALA 50 -2.384 3.206 -5.368 388 HA ALA 50 HA ALA 50 -1.505 0.383 -5.501 389 HB1 ALA 50 1HB ALA 50 -1.842 1.194 -3.208 390 HB2 ALA 50 2HB ALA 50 -2.966 -0.086 -3.649 391 HB3 ALA 50 3HB ALA 50 -3.515 1.592 -3.606 392 H ARG 51 H ARG 51 -2.914 -1.115 -6.260 393 HA ARG 51 HA ARG 51 -5.330 -0.133 -7.634 394 HB2 ARG 51 2HB ARG 51 -3.307 -2.163 -8.603 395 HB3 ARG 51 1HB ARG 51 -4.844 -1.848 -9.383 396 HG2 ARG 51 2HG ARG 51 -4.153 0.380 -9.973 397 HG3 ARG 51 1HG ARG 51 -2.671 0.211 -9.028 398 HD2 ARG 51 2HD ARG 51 -2.290 -0.096 -11.447 399 HD3 ARG 51 1HD ARG 51 -1.876 -1.531 -10.514 400 HE ARG 51 HE ARG 51 -4.281 -1.177 -12.161 401 HH11 ARG 51 1HH1 ARG 51 -1.952 -3.328 -10.547 402 HH12 ARG 51 2HH1 ARG 51 -2.471 -4.751 -11.309 403 HH21 ARG 51 1HH2 ARG 51 -5.059 -3.193 -13.223 404 HH22 ARG 51 2HH2 ARG 51 -4.341 -4.673 -12.835 405 H GLY 52 H GLY 52 -7.059 -1.691 -7.702 406 HA2 GLY 52 2HA GLY 52 -7.412 -3.172 -5.343 407 HA3 GLY 52 1HA GLY 52 -8.438 -3.298 -6.760 408 H ASN 53 H ASN 53 -5.834 -4.196 -8.153 409 HA ASN 53 HA ASN 53 -6.275 -7.004 -7.615 410 HB2 ASN 53 2HB ASN 53 -4.374 -5.688 -9.577 411 HB3 ASN 53 1HB ASN 53 -4.687 -7.413 -9.485 412 HD21 ASN 53 1HD2 ASN 53 -7.562 -6.971 -8.988 413 HD22 ASN 53 2HD2 ASN 53 -8.214 -6.533 -10.525 414 H GLN 54 H GLN 54 -4.312 -4.603 -6.467 415 HA GLN 54 HA GLN 54 -2.116 -6.402 -5.736 416 HB2 GLN 54 2HB GLN 54 -2.273 -3.480 -6.344 417 HB3 GLN 54 1HB GLN 54 -0.938 -4.155 -5.427 418 HG2 GLN 54 2HG GLN 54 -0.192 -5.416 -7.258 419 HG3 GLN 54 1HG GLN 54 -1.709 -5.183 -8.130 420 HE21 GLN 54 1HE2 GLN 54 1.142 -3.541 -6.944 421 HE22 GLN 54 2HE2 GLN 54 1.148 -2.293 -8.127 422 H VAL 55 H VAL 55 -4.892 -5.121 -4.494 423 HA VAL 55 HA VAL 55 -3.630 -4.693 -1.860 424 HB VAL 55 HB VAL 55 -6.017 -3.124 -2.775 425 HG11 VAL 55 1HG1 VAL 55 -5.572 -1.716 -0.832 426 HG12 VAL 55 2HG1 VAL 55 -4.278 -2.825 -0.367 427 HG13 VAL 55 3HG1 VAL 55 -5.943 -3.393 -0.433 428 HG21 VAL 55 1HG2 VAL 55 -3.165 -2.151 -2.667 429 HG22 VAL 55 2HG2 VAL 55 -4.589 -1.141 -2.929 430 HG23 VAL 55 3HG2 VAL 55 -4.144 -2.365 -4.118 431 H ARG 56 H ARG 56 -4.253 -5.832 -0.424 432 HA ARG 56 HA ARG 56 -6.961 -6.792 -0.497 433 HB2 ARG 56 2HB ARG 56 -4.529 -8.279 0.388 434 HB3 ARG 56 1HB ARG 56 -6.181 -8.870 0.288 435 HG2 ARG 56 2HG ARG 56 -4.517 -7.939 -1.967 436 HG3 ARG 56 1HG ARG 56 -4.682 -9.622 -1.606 437 HD2 ARG 56 2HD ARG 56 -6.620 -7.627 -2.750 438 HD3 ARG 56 1HD ARG 56 -6.153 -9.184 -3.411 439 HE ARG 56 HE ARG 56 -7.483 -10.127 -1.498 440 HH11 ARG 56 1HH1 ARG 56 -8.197 -6.913 -2.851 441 HH12 ARG 56 2HH1 ARG 56 -9.873 -7.006 -2.694 442 HH21 ARG 56 1HH2 ARG 56 -9.879 -10.273 -1.202 443 HH22 ARG 56 2HH2 ARG 56 -10.860 -8.980 -1.710 444 H LEU 57 H LEU 57 -7.834 -6.392 1.428 445 HA LEU 57 HA LEU 57 -6.621 -5.061 3.534 446 HB2 LEU 57 2HB LEU 57 -8.541 -5.923 4.983 447 HB3 LEU 57 1HB LEU 57 -8.954 -4.977 3.570 448 HG LEU 57 HG LEU 57 -9.354 -7.140 2.388 449 HD11 LEU 57 1HD1 LEU 57 -9.328 -8.290 5.179 450 HD12 LEU 57 2HD1 LEU 57 -8.225 -8.693 3.864 451 HD13 LEU 57 3HD1 LEU 57 -9.931 -9.122 3.745 452 HD21 LEU 57 1HD2 LEU 57 -11.134 -6.419 4.706 453 HD22 LEU 57 2HD2 LEU 57 -11.618 -7.418 3.335 454 HD23 LEU 57 3HD2 LEU 57 -11.172 -5.731 3.082 455 H ILE 58 H ILE 58 -6.419 -5.959 5.907 456 HA ILE 58 HA ILE 58 -4.396 -7.935 5.744 457 HB ILE 58 HB ILE 58 -5.664 -6.802 8.214 458 HG12 ILE 58 2HG1 ILE 58 -3.141 -5.943 6.769 459 HG13 ILE 58 1HG1 ILE 58 -4.643 -5.031 6.840 460 HG21 ILE 58 1HG2 ILE 58 -4.480 -8.891 8.666 461 HG22 ILE 58 2HG2 ILE 58 -3.570 -7.545 9.353 462 HG23 ILE 58 3HG2 ILE 58 -3.044 -8.281 7.841 463 HD11 ILE 58 1HD1 ILE 58 -4.348 -4.759 9.258 464 HD12 ILE 58 2HD1 ILE 58 -2.979 -4.114 8.352 465 HD13 ILE 58 3HD1 ILE 58 -2.842 -5.672 9.167 466 H GLU 59 H GLU 59 -4.670 -9.761 5.644 467 HA GLU 59 HA GLU 59 -5.739 -11.709 7.162 468 HB2 GLU 59 2HB GLU 59 -8.021 -10.842 6.302 469 HB3 GLU 59 1HB GLU 59 -7.473 -11.211 4.678 470 HG2 GLU 59 2HG GLU 59 -8.940 -12.967 5.418 471 HG3 GLU 59 1HG GLU 59 -7.304 -13.600 5.315 Start of MODEL 18 1 H1 SER 1 1H SER 1 -16.331 1.769 -18.477 2 H2 SER 1 2H SER 1 -15.904 0.382 -19.437 3 H3 SER 1 3H SER 1 -14.746 1.554 -19.027 4 HA SER 1 HA SER 1 -16.096 -0.122 -17.080 5 HB2 SER 1 2HB SER 1 -13.299 -0.277 -18.226 6 HB3 SER 1 1HB SER 1 -14.076 -1.434 -17.133 7 HG SER 1 HG SER 1 -14.337 -2.307 -19.128 8 H ASN 2 H ASN 2 -15.957 0.916 -15.136 9 HA ASN 2 HA ASN 2 -13.941 3.030 -14.924 10 HB2 ASN 2 2HB ASN 2 -16.739 2.967 -13.735 11 HB3 ASN 2 1HB ASN 2 -15.555 4.237 -13.481 12 HD21 ASN 2 1HD2 ASN 2 -16.902 5.832 -14.311 13 HD22 ASN 2 2HD2 ASN 2 -17.288 5.954 -15.986 14 H ALA 3 H ALA 3 -12.515 2.634 -13.414 15 HA ALA 3 HA ALA 3 -13.064 0.527 -11.535 16 HB1 ALA 3 1HB ALA 3 -10.871 0.572 -12.641 17 HB2 ALA 3 2HB ALA 3 -10.703 0.709 -10.890 18 HB3 ALA 3 3HB ALA 3 -10.532 2.139 -11.907 19 H MET 4 H MET 4 -14.640 1.491 -10.326 20 HA MET 4 HA MET 4 -13.779 3.728 -8.621 21 HB2 MET 4 2HB MET 4 -15.767 4.169 -10.020 22 HB3 MET 4 1HB MET 4 -16.577 2.788 -9.304 23 HG2 MET 4 2HG MET 4 -16.585 3.911 -7.136 24 HG3 MET 4 1HG MET 4 -15.741 5.288 -7.842 25 HE1 MET 4 1HE MET 4 -17.653 6.893 -6.874 26 HE2 MET 4 2HE MET 4 -18.495 5.497 -6.201 27 HE3 MET 4 3HE MET 4 -19.371 6.662 -7.196 28 H GLU 5 H GLU 5 -14.224 0.475 -8.640 29 HA GLU 5 HA GLU 5 -15.239 0.234 -5.973 30 HB2 GLU 5 2HB GLU 5 -15.960 -1.347 -7.457 31 HB3 GLU 5 1HB GLU 5 -14.336 -1.830 -7.985 32 HG2 GLU 5 2HG GLU 5 -13.986 -2.729 -5.691 33 HG3 GLU 5 1HG GLU 5 -15.645 -2.279 -5.296 34 H LEU 6 H LEU 6 -14.132 0.562 -4.414 35 HA LEU 6 HA LEU 6 -11.435 -0.450 -4.033 36 HB2 LEU 6 2HB LEU 6 -12.283 2.417 -3.794 37 HB3 LEU 6 1HB LEU 6 -10.799 1.810 -3.077 38 HG LEU 6 HG LEU 6 -11.415 1.850 -6.048 39 HD11 LEU 6 1HD1 LEU 6 -9.642 3.651 -4.408 40 HD12 LEU 6 2HD1 LEU 6 -11.166 4.109 -5.171 41 HD13 LEU 6 3HD1 LEU 6 -9.780 3.662 -6.165 42 HD21 LEU 6 1HD2 LEU 6 -8.878 1.222 -4.538 43 HD22 LEU 6 2HD2 LEU 6 -9.016 1.352 -6.287 44 HD23 LEU 6 3HD2 LEU 6 -9.871 0.071 -5.432 45 H ASP 7 H ASP 7 -11.656 -1.578 -2.105 46 HA ASP 7 HA ASP 7 -13.643 -0.664 -0.226 47 HB2 ASP 7 2HB ASP 7 -13.367 -2.867 0.746 48 HB3 ASP 7 1HB ASP 7 -13.822 -3.001 -0.953 49 H LEU 8 H LEU 8 -11.151 0.570 -0.631 50 HA LEU 8 HA LEU 8 -9.865 0.231 2.001 51 HB2 LEU 8 2HB LEU 8 -8.629 1.275 -0.548 52 HB3 LEU 8 1HB LEU 8 -7.853 1.188 1.005 53 HG LEU 8 HG LEU 8 -6.916 -0.541 -0.199 54 HD11 LEU 8 1HD1 LEU 8 -7.528 -1.328 1.956 55 HD12 LEU 8 2HD1 LEU 8 -7.636 -2.633 0.776 56 HD13 LEU 8 3HD1 LEU 8 -9.104 -1.851 1.359 57 HD21 LEU 8 1HD2 LEU 8 -9.644 -1.327 -1.211 58 HD22 LEU 8 2HD2 LEU 8 -8.142 -2.184 -1.558 59 HD23 LEU 8 3HD2 LEU 8 -8.368 -0.533 -2.136 60 H GLN 9 H GLN 9 -9.722 2.102 3.265 61 HA GLN 9 HA GLN 9 -10.463 4.620 1.996 62 HB2 GLN 9 2HB GLN 9 -11.055 3.548 4.755 63 HB3 GLN 9 1HB GLN 9 -11.261 5.234 4.325 64 HG2 GLN 9 2HG GLN 9 -12.676 2.939 2.984 65 HG3 GLN 9 1HG GLN 9 -13.369 3.964 4.241 66 HE21 GLN 9 1HE2 GLN 9 -12.278 3.844 0.924 67 HE22 GLN 9 2HE2 GLN 9 -13.076 5.295 0.424 68 HA PRO 10 HA PRO 10 -6.579 6.115 3.368 69 HB2 PRO 10 2HB PRO 10 -7.404 8.653 4.304 70 HB3 PRO 10 1HB PRO 10 -6.699 8.262 2.744 71 HG2 PRO 10 2HG PRO 10 -9.338 9.079 3.112 72 HG3 PRO 10 1HG PRO 10 -8.656 8.349 1.651 73 HD2 PRO 10 2HD PRO 10 -10.383 7.124 3.693 74 HD3 PRO 10 1HD PRO 10 -10.111 6.648 2.023 75 H GLY 11 H GLY 11 -6.203 4.858 5.030 76 HA2 GLY 11 2HA GLY 11 -5.454 5.676 7.445 77 HA3 GLY 11 1HA GLY 11 -7.188 5.459 7.689 78 H ASP 12 H ASP 12 -6.983 3.301 5.505 79 HA ASP 12 HA ASP 12 -7.003 1.126 7.231 80 HB2 ASP 12 2HB ASP 12 -7.108 1.494 4.300 81 HB3 ASP 12 1HB ASP 12 -6.780 -0.115 4.898 82 H VAL 13 H VAL 13 -5.539 -0.109 7.934 83 HA VAL 13 HA VAL 13 -2.862 0.050 6.897 84 HB VAL 13 HB VAL 13 -2.990 -0.059 9.318 85 HG11 VAL 13 1HG1 VAL 13 -4.554 -2.608 9.021 86 HG12 VAL 13 2HG1 VAL 13 -5.159 -1.060 9.611 87 HG13 VAL 13 3HG1 VAL 13 -3.955 -1.951 10.543 88 HG21 VAL 13 1HG2 VAL 13 -1.091 -1.235 8.363 89 HG22 VAL 13 2HG2 VAL 13 -2.036 -2.717 8.246 90 HG23 VAL 13 3HG2 VAL 13 -1.630 -2.054 9.829 91 H VAL 14 H VAL 14 -2.205 -1.144 5.342 92 HA VAL 14 HA VAL 14 -3.858 -3.431 4.518 93 HB VAL 14 HB VAL 14 -3.588 -2.685 2.190 94 HG11 VAL 14 1HG1 VAL 14 -5.102 -0.739 2.260 95 HG12 VAL 14 2HG1 VAL 14 -4.864 -0.647 4.006 96 HG13 VAL 14 3HG1 VAL 14 -5.644 -2.055 3.289 97 HG21 VAL 14 1HG2 VAL 14 -2.385 -0.189 3.387 98 HG22 VAL 14 2HG2 VAL 14 -2.807 -0.406 1.690 99 HG23 VAL 14 3HG2 VAL 14 -1.535 -1.392 2.420 100 H LYS 15 H LYS 15 -2.819 -4.631 2.798 101 HA LYS 15 HA LYS 15 0.090 -4.738 2.922 102 HB2 LYS 15 2HB LYS 15 -0.345 -7.157 2.202 103 HB3 LYS 15 1HB LYS 15 -0.727 -6.789 3.874 104 HG2 LYS 15 2HG LYS 15 -3.092 -6.589 3.284 105 HG3 LYS 15 1HG LYS 15 -2.712 -6.956 1.608 106 HD2 LYS 15 2HD LYS 15 -1.883 -9.112 2.268 107 HD3 LYS 15 1HD LYS 15 -2.239 -8.779 3.971 108 HE2 LYS 15 2HE LYS 15 -4.637 -8.496 3.352 109 HE3 LYS 15 1HE LYS 15 -4.237 -8.945 1.699 110 HZ1 LYS 15 1HZ LYS 15 -3.942 -10.705 4.093 111 HZ2 LYS 15 2HZ LYS 15 -3.703 -11.228 2.500 112 HZ3 LYS 15 3HZ LYS 15 -5.201 -10.712 3.078 113 H VAL 16 H VAL 16 0.996 -4.330 0.986 114 HA VAL 16 HA VAL 16 -0.785 -4.377 -1.316 115 HB VAL 16 HB VAL 16 0.447 -2.429 -2.252 116 HG11 VAL 16 1HG1 VAL 16 -0.751 -0.774 -0.942 117 HG12 VAL 16 2HG1 VAL 16 -0.874 -1.913 0.395 118 HG13 VAL 16 3HG1 VAL 16 -1.716 -2.237 -1.118 119 HG21 VAL 16 1HG2 VAL 16 1.714 -0.976 -0.724 120 HG22 VAL 16 2HG2 VAL 16 2.487 -2.549 -0.931 121 HG23 VAL 16 3HG2 VAL 16 1.573 -2.202 0.538 122 H LEU 17 H LEU 17 -0.168 -5.426 -2.961 123 HA LEU 17 HA LEU 17 2.479 -6.643 -2.971 124 HB2 LEU 17 2HB LEU 17 0.560 -8.087 -3.333 125 HB3 LEU 17 1HB LEU 17 0.016 -7.129 -4.670 126 HG LEU 17 HG LEU 17 2.293 -7.848 -5.767 127 HD11 LEU 17 1HD1 LEU 17 2.019 -9.944 -3.677 128 HD12 LEU 17 2HD1 LEU 17 3.257 -8.695 -3.790 129 HD13 LEU 17 3HD1 LEU 17 3.146 -9.940 -5.041 130 HD21 LEU 17 1HD2 LEU 17 1.261 -9.886 -6.625 131 HD22 LEU 17 2HD2 LEU 17 0.099 -8.561 -6.571 132 HD23 LEU 17 3HD2 LEU 17 0.054 -9.824 -5.341 133 H GLU 18 H GLU 18 3.653 -4.784 -3.490 134 HA GLU 18 HA GLU 18 3.056 -3.153 -5.713 135 HB2 GLU 18 2HB GLU 18 4.461 -2.255 -3.985 136 HB3 GLU 18 1HB GLU 18 5.646 -3.535 -4.209 137 HG2 GLU 18 2HG GLU 18 6.230 -2.692 -6.385 138 HG3 GLU 18 1HG GLU 18 4.954 -1.483 -6.298 139 H SER 19 H SER 19 5.545 -5.592 -5.223 140 HA SER 19 HA SER 19 5.595 -6.070 -8.112 141 HB2 SER 19 2HB SER 19 7.632 -4.859 -7.337 142 HB3 SER 19 1HB SER 19 7.878 -6.153 -6.176 143 HG SER 19 HG SER 19 8.760 -6.058 -8.615 144 H ALA 20 H ALA 20 5.988 -8.249 -8.660 145 HA ALA 20 HA ALA 20 4.980 -10.165 -6.799 146 HB1 ALA 20 1HB ALA 20 5.386 -11.792 -8.595 147 HB2 ALA 20 2HB ALA 20 6.286 -10.573 -9.495 148 HB3 ALA 20 3HB ALA 20 4.560 -10.361 -9.213 149 H ALA 21 H ALA 21 8.046 -8.874 -7.545 150 HA ALA 21 HA ALA 21 9.529 -11.132 -6.485 151 HB1 ALA 21 1HB ALA 21 10.425 -9.898 -8.407 152 HB2 ALA 21 2HB ALA 21 11.516 -9.813 -7.024 153 HB3 ALA 21 3HB ALA 21 10.495 -8.433 -7.429 154 H LEU 22 H LEU 22 8.045 -8.318 -5.331 155 HA LEU 22 HA LEU 22 9.728 -8.317 -2.912 156 HB2 LEU 22 2HB LEU 22 7.733 -6.253 -3.857 157 HB3 LEU 22 1HB LEU 22 8.665 -6.148 -2.380 158 HG LEU 22 HG LEU 22 9.806 -6.109 -5.178 159 HD11 LEU 22 1HD1 LEU 22 10.322 -3.773 -4.693 160 HD12 LEU 22 2HD1 LEU 22 9.494 -3.910 -3.143 161 HD13 LEU 22 3HD1 LEU 22 8.586 -4.077 -4.645 162 HD21 LEU 22 1HD2 LEU 22 11.364 -7.120 -3.594 163 HD22 LEU 22 2HD2 LEU 22 11.152 -5.759 -2.495 164 HD23 LEU 22 3HD2 LEU 22 11.918 -5.514 -4.065 165 H GLY 23 H GLY 23 6.403 -8.496 -4.040 166 HA2 GLY 23 2HA GLY 23 4.750 -9.764 -3.186 167 HA3 GLY 23 1HA GLY 23 5.684 -10.086 -1.731 168 H TRP 24 H TRP 24 3.365 -9.674 -1.074 169 HA TRP 24 HA TRP 24 2.295 -7.141 -0.770 170 HB2 TRP 24 2HB TRP 24 2.054 -9.570 1.012 171 HB3 TRP 24 1HB TRP 24 1.027 -8.150 1.100 172 HD1 TRP 24 HD1 TRP 24 1.593 -11.312 -0.954 173 HE1 TRP 24 HE1 TRP 24 -0.395 -11.597 -2.592 174 HE3 TRP 24 HE3 TRP 24 -0.686 -6.816 -0.239 175 HZ2 TRP 24 HZ2 TRP 24 -2.669 -10.044 -3.463 176 HZ3 TRP 24 HZ3 TRP 24 -2.693 -6.301 -1.491 177 HH2 TRP 24 HH2 TRP 24 -3.659 -7.860 -3.058 178 H VAL 25 H VAL 25 3.373 -5.517 0.072 179 HA VAL 25 HA VAL 25 4.896 -5.905 2.549 180 HB VAL 25 HB VAL 25 5.834 -3.564 2.126 181 HG11 VAL 25 1HG1 VAL 25 6.284 -5.574 -0.079 182 HG12 VAL 25 2HG1 VAL 25 7.114 -5.535 1.477 183 HG13 VAL 25 3HG1 VAL 25 7.349 -4.227 0.317 184 HG21 VAL 25 1HG2 VAL 25 5.597 -2.600 -0.110 185 HG22 VAL 25 2HG2 VAL 25 4.038 -2.715 0.707 186 HG23 VAL 25 3HG2 VAL 25 4.464 -3.881 -0.547 187 H ARG 26 H ARG 26 4.468 -4.543 4.347 188 HA ARG 26 HA ARG 26 1.666 -3.987 4.557 189 HB2 ARG 26 2HB ARG 26 2.950 -4.950 6.457 190 HB3 ARG 26 1HB ARG 26 3.868 -3.455 6.572 191 HG2 ARG 26 2HG ARG 26 1.827 -2.230 7.115 192 HG3 ARG 26 1HG ARG 26 0.891 -3.715 6.973 193 HD2 ARG 26 2HD ARG 26 1.297 -3.292 9.294 194 HD3 ARG 26 1HD ARG 26 2.255 -4.684 8.805 195 HE ARG 26 HE ARG 26 3.821 -2.360 8.560 196 HH11 ARG 26 1HH1 ARG 26 2.482 -4.491 11.040 197 HH12 ARG 26 2HH1 ARG 26 3.570 -4.010 12.273 198 HH21 ARG 26 1HH2 ARG 26 5.233 -1.664 10.178 199 HH22 ARG 26 2HH2 ARG 26 5.255 -2.302 11.758 200 H ALA 27 H ALA 27 0.682 -2.029 4.705 201 HA ALA 27 HA ALA 27 2.204 0.411 4.630 202 HB1 ALA 27 1HB ALA 27 2.265 -0.308 2.277 203 HB2 ALA 27 2HB ALA 27 1.279 1.138 2.488 204 HB3 ALA 27 3HB ALA 27 0.505 -0.434 2.275 205 H ARG 28 H ARG 28 0.575 2.223 4.286 206 HA ARG 28 HA ARG 28 -2.125 1.487 5.172 207 HB2 ARG 28 2HB ARG 28 -2.248 3.444 6.621 208 HB3 ARG 28 1HB ARG 28 -1.009 2.339 7.188 209 HG2 ARG 28 2HG ARG 28 0.675 3.817 6.780 210 HG3 ARG 28 1HG ARG 28 -0.162 4.551 5.407 211 HD2 ARG 28 2HD ARG 28 -0.975 4.892 8.291 212 HD3 ARG 28 1HD ARG 28 -0.013 6.059 7.375 213 HE ARG 28 HE ARG 28 -2.231 5.613 5.839 214 HH11 ARG 28 1HH1 ARG 28 -1.783 6.771 9.146 215 HH12 ARG 28 2HH1 ARG 28 -3.145 7.794 9.135 216 HH21 ARG 28 1HH2 ARG 28 -4.070 6.980 5.785 217 HH22 ARG 28 2HH2 ARG 28 -4.517 7.925 7.125 218 H VAL 29 H VAL 29 -3.656 2.526 4.256 219 HA VAL 29 HA VAL 29 -3.080 3.949 1.836 220 HB VAL 29 HB VAL 29 -5.723 3.690 3.309 221 HG11 VAL 29 1HG1 VAL 29 -5.670 5.470 1.581 222 HG12 VAL 29 2HG1 VAL 29 -6.728 4.140 1.115 223 HG13 VAL 29 3HG1 VAL 29 -5.124 4.282 0.399 224 HG21 VAL 29 1HG2 VAL 29 -6.201 1.820 1.854 225 HG22 VAL 29 2HG2 VAL 29 -4.751 1.505 2.806 226 HG23 VAL 29 3HG2 VAL 29 -4.613 1.961 1.107 227 H ILE 30 H ILE 30 -2.583 5.920 1.603 228 HA ILE 30 HA ILE 30 -2.999 7.863 3.797 229 HB ILE 30 HB ILE 30 -1.534 8.158 1.166 230 HG12 ILE 30 2HG1 ILE 30 -0.362 6.509 2.562 231 HG13 ILE 30 1HG1 ILE 30 0.570 7.991 2.410 232 HG21 ILE 30 1HG2 ILE 30 -0.569 10.184 2.175 233 HG22 ILE 30 2HG2 ILE 30 -1.543 9.920 3.620 234 HG23 ILE 30 3HG2 ILE 30 -2.330 10.271 2.081 235 HD11 ILE 30 1HD1 ILE 30 0.679 7.124 4.668 236 HD12 ILE 30 2HD1 ILE 30 -1.077 7.158 4.791 237 HD13 ILE 30 3HD1 ILE 30 -0.175 8.667 4.649 238 H ARG 31 H ARG 31 -3.835 7.321 0.435 239 HA ARG 31 HA ARG 31 -6.059 8.973 1.008 240 HB2 ARG 31 2HB ARG 31 -5.022 10.661 0.243 241 HB3 ARG 31 1HB ARG 31 -3.717 9.656 0.238 242 HG2 ARG 31 2HG ARG 31 -3.808 8.868 -1.935 243 HG3 ARG 31 1HG ARG 31 -5.315 9.687 -2.270 244 HD2 ARG 31 2HD ARG 31 -3.521 10.826 -3.262 245 HD3 ARG 31 1HD ARG 31 -4.150 11.854 -1.969 246 HE ARG 31 HE ARG 31 -1.761 10.164 -1.384 247 HH11 ARG 31 1HH1 ARG 31 -3.102 13.457 -1.582 248 HH12 ARG 31 2HH1 ARG 31 -1.666 14.163 -0.974 249 HH21 ARG 31 1HH2 ARG 31 0.094 11.137 -0.573 250 HH22 ARG 31 2HH2 ARG 31 0.244 12.786 -0.385 251 H VAL 32 H VAL 32 -7.368 8.944 -0.611 252 HA VAL 32 HA VAL 32 -7.252 6.661 -2.464 253 HB VAL 32 HB VAL 32 -9.734 7.740 -1.067 254 HG11 VAL 32 1HG1 VAL 32 -10.283 7.062 -3.354 255 HG12 VAL 32 2HG1 VAL 32 -10.968 5.933 -2.184 256 HG13 VAL 32 3HG1 VAL 32 -9.513 5.499 -3.081 257 HG21 VAL 32 1HG2 VAL 32 -8.348 5.070 -0.868 258 HG22 VAL 32 2HG2 VAL 32 -9.856 5.504 -0.067 259 HG23 VAL 32 3HG2 VAL 32 -8.358 6.333 0.361 260 H LYS 33 H LYS 33 -7.385 7.121 -4.499 261 HA LYS 33 HA LYS 33 -8.624 9.608 -5.447 262 HB2 LYS 33 2HB LYS 33 -6.222 8.299 -5.892 263 HB3 LYS 33 1HB LYS 33 -6.944 8.304 -7.455 264 HG2 LYS 33 2HG LYS 33 -5.785 10.332 -7.490 265 HG3 LYS 33 1HG LYS 33 -7.231 10.927 -6.671 266 HD2 LYS 33 2HD LYS 33 -6.066 10.132 -4.536 267 HD3 LYS 33 1HD LYS 33 -4.619 10.083 -5.511 268 HE2 LYS 33 2HE LYS 33 -6.373 12.520 -4.996 269 HE3 LYS 33 1HE LYS 33 -4.740 12.273 -4.396 270 HZ1 LYS 33 1HZ LYS 33 -4.769 13.788 -6.261 271 HZ2 LYS 33 2HZ LYS 33 -5.533 12.657 -7.235 272 HZ3 LYS 33 3HZ LYS 33 -3.941 12.382 -6.709 273 H SER 34 H SER 34 -9.307 8.987 -7.910 274 HA SER 34 HA SER 34 -10.478 6.465 -7.474 275 HB2 SER 34 2HB SER 34 -12.190 8.250 -7.580 276 HB3 SER 34 1HB SER 34 -11.656 8.672 -9.204 277 HG SER 34 HG SER 34 -13.517 6.993 -8.580 278 H GLY 35 H GLY 35 -11.240 5.603 -9.903 279 HA2 GLY 35 2HA GLY 35 -10.467 4.816 -11.953 280 HA3 GLY 35 1HA GLY 35 -9.079 5.896 -11.809 281 H GLY 36 H GLY 36 -9.844 3.963 -9.134 282 HA2 GLY 36 2HA GLY 36 -8.818 2.128 -8.155 283 HA3 GLY 36 1HA GLY 36 -8.117 1.749 -9.726 284 H ARG 37 H ARG 37 -7.797 4.810 -8.100 285 HA ARG 37 HA ARG 37 -4.863 4.462 -7.875 286 HB2 ARG 37 2HB ARG 37 -5.846 5.653 -9.581 287 HB3 ARG 37 1HB ARG 37 -6.372 6.970 -8.520 288 HG2 ARG 37 2HG ARG 37 -3.596 5.921 -9.190 289 HG3 ARG 37 1HG ARG 37 -4.254 7.487 -9.626 290 HD2 ARG 37 2HD ARG 37 -4.436 8.010 -7.316 291 HD3 ARG 37 1HD ARG 37 -3.740 6.616 -6.778 292 HE ARG 37 HE ARG 37 -1.665 7.360 -7.122 293 HH11 ARG 37 1HH1 ARG 37 -3.612 9.140 -9.534 294 HH12 ARG 37 2HH1 ARG 37 -2.324 10.104 -10.086 295 HH21 ARG 37 1HH2 ARG 37 0.081 8.714 -7.848 296 HH22 ARG 37 2HH2 ARG 37 -0.134 9.865 -9.076 297 H VAL 38 H VAL 38 -4.555 3.760 -6.294 298 HA VAL 38 HA VAL 38 -5.475 5.221 -3.926 299 HB VAL 38 HB VAL 38 -5.050 3.006 -2.667 300 HG11 VAL 38 1HG1 VAL 38 -7.434 3.316 -4.510 301 HG12 VAL 38 2HG1 VAL 38 -7.263 4.052 -2.915 302 HG13 VAL 38 3HG1 VAL 38 -7.397 2.300 -3.069 303 HG21 VAL 38 1HG2 VAL 38 -5.554 0.978 -3.971 304 HG22 VAL 38 2HG2 VAL 38 -4.064 1.758 -4.505 305 HG23 VAL 38 3HG2 VAL 38 -5.543 1.944 -5.446 306 H VAL 39 H VAL 39 -4.027 6.049 -2.672 307 HA VAL 39 HA VAL 39 -1.271 5.376 -3.354 308 HB VAL 39 HB VAL 39 -2.071 7.957 -2.028 309 HG11 VAL 39 1HG1 VAL 39 -0.098 8.800 -3.153 310 HG12 VAL 39 2HG1 VAL 39 0.148 7.220 -3.902 311 HG13 VAL 39 3HG1 VAL 39 0.243 7.391 -2.150 312 HG21 VAL 39 1HG2 VAL 39 -2.128 7.475 -5.010 313 HG22 VAL 39 2HG2 VAL 39 -2.294 9.043 -4.220 314 HG23 VAL 39 3HG2 VAL 39 -3.529 7.804 -3.993 315 H VAL 40 H VAL 40 -0.040 4.556 -1.796 316 HA VAL 40 HA VAL 40 -1.039 4.498 0.975 317 HB VAL 40 HB VAL 40 -0.383 2.132 1.124 318 HG11 VAL 40 1HG1 VAL 40 -2.706 2.551 0.550 319 HG12 VAL 40 2HG1 VAL 40 -2.131 1.105 -0.274 320 HG13 VAL 40 3HG1 VAL 40 -2.289 2.620 -1.161 321 HG21 VAL 40 1HG2 VAL 40 1.373 2.161 -0.597 322 HG22 VAL 40 2HG2 VAL 40 0.141 2.255 -1.854 323 HG23 VAL 40 3HG2 VAL 40 0.258 0.824 -0.831 324 H GLN 41 H GLN 41 0.606 4.272 2.497 325 HA GLN 41 HA GLN 41 3.358 4.620 1.477 326 HB2 GLN 41 2HB GLN 41 2.525 6.610 2.684 327 HB3 GLN 41 1HB GLN 41 2.180 5.599 4.072 328 HG2 GLN 41 2HG GLN 41 4.662 5.027 4.091 329 HG3 GLN 41 1HG GLN 41 4.864 6.330 2.929 330 HE21 GLN 41 1HE2 GLN 41 4.167 5.490 6.195 331 HE22 GLN 41 2HE2 GLN 41 4.301 7.105 6.818 332 H SER 42 H SER 42 4.597 3.018 1.845 333 HA SER 42 HA SER 42 3.785 0.873 3.638 334 HB2 SER 42 2HB SER 42 4.808 0.430 1.342 335 HB3 SER 42 1HB SER 42 6.314 1.052 1.954 336 HG SER 42 HG SER 42 4.962 -1.111 3.159 337 H ASP 43 H ASP 43 5.619 -0.116 4.965 338 HA ASP 43 HA ASP 43 6.163 1.573 7.111 339 HB2 ASP 43 2HB ASP 43 7.176 -1.159 6.407 340 HB3 ASP 43 1HB ASP 43 7.767 -0.327 7.834 341 H GLN 44 H GLN 44 7.772 1.478 4.255 342 HA GLN 44 HA GLN 44 10.395 2.135 5.375 343 HB2 GLN 44 2HB GLN 44 9.515 1.637 2.526 344 HB3 GLN 44 1HB GLN 44 11.061 2.377 2.877 345 HG2 GLN 44 2HG GLN 44 11.620 0.162 2.503 346 HG3 GLN 44 1HG GLN 44 11.500 0.213 4.249 347 HE21 GLN 44 1HE2 GLN 44 8.624 0.055 4.312 348 HE22 GLN 44 2HE2 GLN 44 8.193 -1.548 3.809 349 H GLY 45 H GLY 45 7.664 3.716 5.040 350 HA2 GLY 45 2HA GLY 45 7.177 5.948 5.171 351 HA3 GLY 45 1HA GLY 45 8.894 6.295 5.060 352 H ARG 46 H ARG 46 7.505 4.320 2.553 353 HA ARG 46 HA ARG 46 7.769 6.600 0.813 354 HB2 ARG 46 2HB ARG 46 7.956 4.835 -0.899 355 HB3 ARG 46 1HB ARG 46 9.351 4.973 0.181 356 HG2 ARG 46 2HG ARG 46 8.556 2.983 1.362 357 HG3 ARG 46 1HG ARG 46 7.132 2.921 0.326 358 HD2 ARG 46 2HD ARG 46 9.999 2.624 -0.580 359 HD3 ARG 46 1HD ARG 46 8.821 1.318 -0.416 360 HE ARG 46 HE ARG 46 8.404 3.570 -2.252 361 HH11 ARG 46 1HH1 ARG 46 8.591 0.011 -1.760 362 HH12 ARG 46 2HH1 ARG 46 7.944 -0.316 -3.294 363 HH21 ARG 46 1HH2 ARG 46 7.509 2.980 -4.395 364 HH22 ARG 46 2HH2 ARG 46 7.300 1.315 -4.700 365 H GLU 47 H GLU 47 5.926 7.428 0.160 366 HA GLU 47 HA GLU 47 3.504 5.851 0.070 367 HB2 GLU 47 2HB GLU 47 3.395 8.162 0.949 368 HB3 GLU 47 1HB GLU 47 4.032 8.778 -0.573 369 HG2 GLU 47 2HG GLU 47 2.103 7.929 -1.739 370 HG3 GLU 47 1HG GLU 47 1.440 7.300 -0.237 371 H PHE 48 H PHE 48 2.656 5.071 -1.779 372 HA PHE 48 HA PHE 48 3.414 6.090 -4.360 373 HB2 PHE 48 2HB PHE 48 4.247 3.993 -5.295 374 HB3 PHE 48 1HB PHE 48 5.241 4.448 -3.924 375 HD1 PHE 48 HD1 PHE 48 3.074 1.957 -5.368 376 HD2 PHE 48 HD2 PHE 48 4.998 3.165 -1.767 377 HE1 PHE 48 HE1 PHE 48 2.770 -0.300 -4.459 378 HE2 PHE 48 HE2 PHE 48 4.693 0.900 -0.848 379 HZ PHE 48 HZ PHE 48 3.577 -0.843 -2.214 380 H THR 49 H THR 49 2.219 4.578 -6.103 381 HA THR 49 HA THR 49 -0.399 4.017 -4.935 382 HB THR 49 HB THR 49 0.144 5.212 -7.695 383 HG1 THR 49 HG1 THR 49 -0.218 6.212 -5.294 384 HG21 THR 49 1HG2 THR 49 -2.248 5.294 -7.914 385 HG22 THR 49 2HG2 THR 49 -2.456 4.502 -6.353 386 HG23 THR 49 3HG2 THR 49 -1.740 3.617 -7.703 387 H ALA 50 H ALA 50 -1.318 2.171 -5.371 388 HA ALA 50 HA ALA 50 -0.148 0.398 -7.398 389 HB1 ALA 50 1HB ALA 50 -0.788 -1.471 -5.914 390 HB2 ALA 50 2HB ALA 50 -1.325 -0.315 -4.695 391 HB3 ALA 50 3HB ALA 50 0.382 -0.408 -5.128 392 H ARG 51 H ARG 51 -1.976 -1.292 -7.923 393 HA ARG 51 HA ARG 51 -4.368 0.254 -8.511 394 HB2 ARG 51 2HB ARG 51 -3.751 -2.663 -9.093 395 HB3 ARG 51 1HB ARG 51 -5.120 -1.763 -9.725 396 HG2 ARG 51 2HG ARG 51 -2.220 -1.185 -10.335 397 HG3 ARG 51 1HG ARG 51 -3.335 -2.052 -11.388 398 HD2 ARG 51 2HD ARG 51 -3.690 0.804 -10.463 399 HD3 ARG 51 1HD ARG 51 -3.027 0.324 -12.022 400 HE ARG 51 HE ARG 51 -5.337 -0.937 -12.075 401 HH11 ARG 51 1HH1 ARG 51 -4.652 2.415 -11.131 402 HH12 ARG 51 2HH1 ARG 51 -6.171 3.008 -11.646 403 HH21 ARG 51 1HH2 ARG 51 -7.454 -0.036 -12.825 404 HH22 ARG 51 2HH2 ARG 51 -7.727 1.637 -12.607 405 H GLY 52 H GLY 52 -6.504 -0.501 -7.830 406 HA2 GLY 52 2HA GLY 52 -6.663 -0.961 -5.068 407 HA3 GLY 52 1HA GLY 52 -8.012 -1.126 -6.174 408 H ASN 53 H ASN 53 -6.313 -3.272 -7.544 409 HA ASN 53 HA ASN 53 -7.323 -5.419 -5.906 410 HB2 ASN 53 2HB ASN 53 -5.892 -5.501 -8.573 411 HB3 ASN 53 1HB ASN 53 -6.565 -6.908 -7.764 412 HD21 ASN 53 1HD2 ASN 53 -8.991 -5.505 -6.834 413 HD22 ASN 53 2HD2 ASN 53 -9.942 -5.280 -8.243 414 H GLN 54 H GLN 54 -4.444 -3.728 -6.238 415 HA GLN 54 HA GLN 54 -2.677 -5.876 -5.373 416 HB2 GLN 54 2HB GLN 54 -2.283 -3.003 -6.143 417 HB3 GLN 54 1HB GLN 54 -0.983 -3.944 -5.453 418 HG2 GLN 54 2HG GLN 54 -1.061 -5.447 -7.358 419 HG3 GLN 54 1HG GLN 54 -2.431 -4.548 -8.020 420 HE21 GLN 54 1HE2 GLN 54 0.981 -4.365 -7.235 421 HE22 GLN 54 2HE2 GLN 54 1.335 -3.061 -8.294 422 H VAL 55 H VAL 55 -4.817 -3.721 -4.023 423 HA VAL 55 HA VAL 55 -3.263 -3.565 -1.529 424 HB VAL 55 HB VAL 55 -5.416 -1.631 -2.322 425 HG11 VAL 55 1HG1 VAL 55 -4.501 -0.161 -0.605 426 HG12 VAL 55 2HG1 VAL 55 -3.335 -1.415 -0.186 427 HG13 VAL 55 3HG1 VAL 55 -5.058 -1.717 0.011 428 HG21 VAL 55 1HG2 VAL 55 -3.691 -1.295 -3.988 429 HG22 VAL 55 2HG2 VAL 55 -2.455 -1.177 -2.738 430 HG23 VAL 55 3HG2 VAL 55 -3.692 0.071 -2.873 431 H ARG 56 H ARG 56 -4.027 -4.623 -0.020 432 HA ARG 56 HA ARG 56 -6.889 -5.022 0.043 433 HB2 ARG 56 2HB ARG 56 -4.755 -6.978 0.728 434 HB3 ARG 56 1HB ARG 56 -6.489 -7.231 0.740 435 HG2 ARG 56 2HG ARG 56 -4.867 -6.549 -1.633 436 HG3 ARG 56 1HG ARG 56 -5.274 -8.191 -1.267 437 HD2 ARG 56 2HD ARG 56 -6.907 -5.910 -2.320 438 HD3 ARG 56 1HD ARG 56 -6.820 -7.589 -2.861 439 HE ARG 56 HE ARG 56 -8.196 -8.165 -0.917 440 HH11 ARG 56 1HH1 ARG 56 -8.194 -4.715 -1.958 441 HH12 ARG 56 2HH1 ARG 56 -9.744 -4.414 -1.333 442 HH21 ARG 56 1HH2 ARG 56 -10.378 -7.579 0.045 443 HH22 ARG 56 2HH2 ARG 56 -10.883 -5.958 -0.156 444 H LEU 57 H LEU 57 -7.574 -4.487 2.008 445 HA LEU 57 HA LEU 57 -6.000 -3.676 4.166 446 HB2 LEU 57 2HB LEU 57 -8.065 -4.173 5.608 447 HB3 LEU 57 1HB LEU 57 -8.231 -3.003 4.320 448 HG LEU 57 HG LEU 57 -9.185 -4.859 2.935 449 HD11 LEU 57 1HD1 LEU 57 -8.498 -6.785 4.222 450 HD12 LEU 57 2HD1 LEU 57 -10.257 -6.737 4.114 451 HD13 LEU 57 3HD1 LEU 57 -9.451 -6.239 5.602 452 HD21 LEU 57 1HD2 LEU 57 -10.564 -3.095 3.809 453 HD22 LEU 57 2HD2 LEU 57 -10.709 -3.925 5.357 454 HD23 LEU 57 3HD2 LEU 57 -11.438 -4.621 3.912 455 H ILE 58 H ILE 58 -5.768 -4.759 6.382 456 HA ILE 58 HA ILE 58 -4.451 -7.177 5.764 457 HB ILE 58 HB ILE 58 -3.735 -7.296 8.134 458 HG12 ILE 58 2HG1 ILE 58 -4.992 -4.544 8.344 459 HG13 ILE 58 1HG1 ILE 58 -5.615 -5.994 9.120 460 HG21 ILE 58 1HG2 ILE 58 -2.136 -5.419 7.919 461 HG22 ILE 58 2HG2 ILE 58 -3.108 -4.781 6.593 462 HG23 ILE 58 3HG2 ILE 58 -2.318 -6.347 6.430 463 HD11 ILE 58 1HD1 ILE 58 -2.940 -4.719 9.662 464 HD12 ILE 58 2HD1 ILE 58 -3.568 -6.169 10.445 465 HD13 ILE 58 3HD1 ILE 58 -4.368 -4.615 10.691 466 H GLU 59 H GLU 59 -5.975 -8.435 5.113 467 HA GLU 59 HA GLU 59 -6.859 -10.326 7.105 468 HB2 GLU 59 2HB GLU 59 -8.863 -8.891 6.399 469 HB3 GLU 59 1HB GLU 59 -8.542 -9.354 4.741 470 HG2 GLU 59 2HG GLU 59 -10.369 -10.666 5.509 471 HG3 GLU 59 1HG GLU 59 -8.975 -11.731 5.400 Start of MODEL 19 1 H1 SER 1 1H SER 1 -27.727 3.640 -7.255 2 H2 SER 1 2H SER 1 -27.088 2.437 -8.250 3 H3 SER 1 3H SER 1 -28.366 3.479 -8.817 4 HA SER 1 HA SER 1 -26.232 4.131 -9.704 5 HB2 SER 1 2HB SER 1 -27.320 6.027 -7.607 6 HB3 SER 1 1HB SER 1 -26.580 6.454 -9.157 7 HG SER 1 HG SER 1 -28.766 6.552 -9.481 8 H ASN 2 H ASN 2 -24.120 3.633 -9.219 9 HA ASN 2 HA ASN 2 -23.180 3.993 -6.488 10 HB2 ASN 2 2HB ASN 2 -23.089 1.424 -8.097 11 HB3 ASN 2 1HB ASN 2 -22.216 1.712 -6.593 12 HD21 ASN 2 1HD2 ASN 2 -23.346 1.805 -4.686 13 HD22 ASN 2 2HD2 ASN 2 -24.945 1.177 -4.499 14 H ALA 3 H ALA 3 -21.151 4.425 -6.357 15 HA ALA 3 HA ALA 3 -19.207 4.145 -8.285 16 HB1 ALA 3 1HB ALA 3 -18.959 6.471 -9.130 17 HB2 ALA 3 2HB ALA 3 -20.452 6.911 -8.302 18 HB3 ALA 3 3HB ALA 3 -20.491 5.750 -9.628 19 H MET 4 H MET 4 -19.720 4.134 -5.363 20 HA MET 4 HA MET 4 -17.599 5.963 -4.486 21 HB2 MET 4 2HB MET 4 -19.764 7.195 -4.292 22 HB3 MET 4 1HB MET 4 -20.346 5.956 -3.200 23 HG2 MET 4 2HG MET 4 -18.605 6.555 -1.586 24 HG3 MET 4 1HG MET 4 -18.002 7.784 -2.695 25 HE1 MET 4 1HE MET 4 -19.382 9.967 -3.373 26 HE2 MET 4 2HE MET 4 -20.985 10.346 -2.750 27 HE3 MET 4 3HE MET 4 -20.773 8.997 -3.859 28 H GLU 5 H GLU 5 -18.560 2.992 -4.656 29 HA GLU 5 HA GLU 5 -18.602 1.993 -1.993 30 HB2 GLU 5 2HB GLU 5 -18.354 0.699 -4.672 31 HB3 GLU 5 1HB GLU 5 -18.503 -0.226 -3.189 32 HG2 GLU 5 2HG GLU 5 -20.656 -0.124 -4.330 33 HG3 GLU 5 1HG GLU 5 -20.741 0.759 -2.814 34 H LEU 6 H LEU 6 -16.251 3.406 -2.668 35 HA LEU 6 HA LEU 6 -14.124 1.374 -2.610 36 HB2 LEU 6 2HB LEU 6 -13.831 4.375 -2.600 37 HB3 LEU 6 1HB LEU 6 -12.559 3.166 -2.664 38 HG LEU 6 HG LEU 6 -14.637 3.531 -4.814 39 HD11 LEU 6 1HD1 LEU 6 -13.204 5.510 -4.687 40 HD12 LEU 6 2HD1 LEU 6 -12.834 4.575 -6.135 41 HD13 LEU 6 3HD1 LEU 6 -11.768 4.488 -4.733 42 HD21 LEU 6 1HD2 LEU 6 -13.110 2.142 -6.160 43 HD22 LEU 6 2HD2 LEU 6 -13.709 1.286 -4.743 44 HD23 LEU 6 3HD2 LEU 6 -12.069 1.939 -4.750 45 H ASP 7 H ASP 7 -14.619 0.524 -0.671 46 HA ASP 7 HA ASP 7 -14.571 2.263 1.634 47 HB2 ASP 7 2HB ASP 7 -16.266 0.560 1.625 48 HB3 ASP 7 1HB ASP 7 -15.054 -0.724 1.545 49 H LEU 8 H LEU 8 -12.666 2.951 1.466 50 HA LEU 8 HA LEU 8 -10.642 1.580 2.971 51 HB2 LEU 8 2HB LEU 8 -10.329 2.596 0.162 52 HB3 LEU 8 1HB LEU 8 -8.960 2.507 1.253 53 HG LEU 8 HG LEU 8 -10.619 0.169 0.243 54 HD11 LEU 8 1HD1 LEU 8 -9.250 1.143 -1.510 55 HD12 LEU 8 2HD1 LEU 8 -8.619 -0.432 -1.029 56 HD13 LEU 8 3HD1 LEU 8 -7.825 1.042 -0.476 57 HD21 LEU 8 1HD2 LEU 8 -8.878 -1.241 1.254 58 HD22 LEU 8 2HD2 LEU 8 -9.717 -0.283 2.469 59 HD23 LEU 8 3HD2 LEU 8 -8.107 0.194 1.929 60 H GLN 9 H GLN 9 -9.535 3.203 4.150 61 HA GLN 9 HA GLN 9 -10.281 5.920 3.485 62 HB2 GLN 9 2HB GLN 9 -10.472 4.617 6.183 63 HB3 GLN 9 1HB GLN 9 -10.439 6.353 5.988 64 HG2 GLN 9 2HG GLN 9 -12.520 4.560 4.747 65 HG3 GLN 9 1HG GLN 9 -12.728 5.425 6.270 66 HE21 GLN 9 1HE2 GLN 9 -12.479 5.742 2.808 67 HE22 GLN 9 2HE2 GLN 9 -13.078 7.363 2.740 68 HA PRO 10 HA PRO 10 -5.998 6.774 4.179 69 HB2 PRO 10 2HB PRO 10 -6.626 9.391 5.344 70 HB3 PRO 10 1HB PRO 10 -5.898 9.010 3.791 71 HG2 PRO 10 2HG PRO 10 -8.383 10.024 3.991 72 HG3 PRO 10 1HG PRO 10 -7.824 8.995 2.657 73 HD2 PRO 10 2HD PRO 10 -9.529 8.246 4.991 74 HD3 PRO 10 1HD PRO 10 -9.607 7.687 3.325 75 H GLY 11 H GLY 11 -4.962 5.839 5.777 76 HA2 GLY 11 2HA GLY 11 -4.084 6.186 8.074 77 HA3 GLY 11 1HA GLY 11 -5.766 6.355 8.571 78 H ASP 12 H ASP 12 -6.081 4.166 6.310 79 HA ASP 12 HA ASP 12 -6.362 1.981 8.128 80 HB2 ASP 12 2HB ASP 12 -7.867 2.434 6.154 81 HB3 ASP 12 1HB ASP 12 -6.524 1.981 5.128 82 H VAL 13 H VAL 13 -5.480 -0.141 7.678 83 HA VAL 13 HA VAL 13 -2.649 -0.039 6.840 84 HB VAL 13 HB VAL 13 -3.776 -1.713 9.117 85 HG11 VAL 13 1HG1 VAL 13 -1.930 -2.821 7.985 86 HG12 VAL 13 2HG1 VAL 13 -1.433 -2.287 9.590 87 HG13 VAL 13 3HG1 VAL 13 -0.930 -1.380 8.165 88 HG21 VAL 13 1HG2 VAL 13 -1.977 0.713 9.237 89 HG22 VAL 13 2HG2 VAL 13 -2.441 -0.289 10.613 90 HG23 VAL 13 3HG2 VAL 13 -3.663 0.645 9.748 91 H VAL 14 H VAL 14 -2.341 -1.294 5.150 92 HA VAL 14 HA VAL 14 -4.099 -3.623 4.706 93 HB VAL 14 HB VAL 14 -4.212 -3.006 2.301 94 HG11 VAL 14 1HG1 VAL 14 -6.031 -2.364 3.895 95 HG12 VAL 14 2HG1 VAL 14 -5.891 -1.293 2.505 96 HG13 VAL 14 3HG1 VAL 14 -5.249 -0.796 4.068 97 HG21 VAL 14 1HG2 VAL 14 -3.617 -0.730 1.606 98 HG22 VAL 14 2HG2 VAL 14 -2.207 -1.613 2.200 99 HG23 VAL 14 3HG2 VAL 14 -2.984 -0.407 3.219 100 H LYS 15 H LYS 15 -3.271 -4.841 2.731 101 HA LYS 15 HA LYS 15 -0.355 -5.030 2.819 102 HB2 LYS 15 2HB LYS 15 -0.885 -7.340 1.787 103 HB3 LYS 15 1HB LYS 15 -1.097 -7.156 3.510 104 HG2 LYS 15 2HG LYS 15 -3.483 -6.874 3.197 105 HG3 LYS 15 1HG LYS 15 -3.297 -6.964 1.455 106 HD2 LYS 15 2HD LYS 15 -2.443 -9.233 1.696 107 HD3 LYS 15 1HD LYS 15 -2.670 -9.153 3.451 108 HE2 LYS 15 2HE LYS 15 -5.091 -8.720 3.053 109 HE3 LYS 15 1HE LYS 15 -4.812 -8.942 1.332 110 HZ1 LYS 15 1HZ LYS 15 -5.706 -10.906 2.309 111 HZ2 LYS 15 2HZ LYS 15 -4.673 -10.975 3.482 112 HZ3 LYS 15 3HZ LYS 15 -4.122 -11.327 1.882 113 H VAL 16 H VAL 16 0.656 -4.488 1.078 114 HA VAL 16 HA VAL 16 -0.809 -4.390 -1.459 115 HB VAL 16 HB VAL 16 1.067 -2.255 -0.407 116 HG11 VAL 16 1HG1 VAL 16 1.381 -2.559 -2.815 117 HG12 VAL 16 2HG1 VAL 16 0.579 -1.025 -2.485 118 HG13 VAL 16 3HG1 VAL 16 -0.356 -2.401 -3.072 119 HG21 VAL 16 1HG2 VAL 16 -0.877 -0.787 -0.491 120 HG22 VAL 16 2HG2 VAL 16 -1.181 -2.194 0.540 121 HG23 VAL 16 3HG2 VAL 16 -1.848 -2.135 -1.084 122 H LEU 17 H LEU 17 0.230 -5.222 -3.047 123 HA LEU 17 HA LEU 17 2.910 -6.160 -2.545 124 HB2 LEU 17 2HB LEU 17 1.303 -7.769 -3.438 125 HB3 LEU 17 1HB LEU 17 1.015 -6.813 -4.848 126 HG LEU 17 HG LEU 17 3.687 -8.120 -4.223 127 HD11 LEU 17 1HD1 LEU 17 3.016 -9.880 -5.787 128 HD12 LEU 17 2HD1 LEU 17 1.418 -9.145 -5.924 129 HD13 LEU 17 3HD1 LEU 17 1.949 -9.820 -4.384 130 HD21 LEU 17 1HD2 LEU 17 4.099 -7.885 -6.627 131 HD22 LEU 17 2HD2 LEU 17 3.797 -6.311 -5.891 132 HD23 LEU 17 3HD2 LEU 17 2.530 -7.105 -6.828 133 H GLU 18 H GLU 18 4.049 -4.458 -2.547 134 HA GLU 18 HA GLU 18 4.003 -2.222 -4.270 135 HB2 GLU 18 2HB GLU 18 4.977 -2.133 -2.043 136 HB3 GLU 18 1HB GLU 18 6.136 -3.374 -2.457 137 HG2 GLU 18 2HG GLU 18 7.207 -1.842 -4.026 138 HG3 GLU 18 1HG GLU 18 6.080 -0.573 -3.586 139 H SER 19 H SER 19 6.099 -5.042 -4.170 140 HA SER 19 HA SER 19 6.601 -4.756 -6.996 141 HB2 SER 19 2HB SER 19 8.685 -4.601 -4.847 142 HB3 SER 19 1HB SER 19 9.115 -5.026 -6.524 143 HG SER 19 HG SER 19 7.533 -2.777 -6.118 144 H ALA 20 H ALA 20 7.179 -6.689 -7.976 145 HA ALA 20 HA ALA 20 6.097 -9.009 -6.825 146 HB1 ALA 20 1HB ALA 20 7.899 -8.806 -9.232 147 HB2 ALA 20 2HB ALA 20 6.149 -8.580 -9.240 148 HB3 ALA 20 3HB ALA 20 6.834 -10.154 -8.833 149 H ALA 21 H ALA 21 9.285 -7.739 -6.662 150 HA ALA 21 HA ALA 21 10.480 -10.289 -5.948 151 HB1 ALA 21 1HB ALA 21 11.750 -8.704 -7.326 152 HB2 ALA 21 2HB ALA 21 12.572 -9.032 -5.800 153 HB3 ALA 21 3HB ALA 21 11.687 -7.523 -6.019 154 H LEU 22 H LEU 22 8.517 -8.354 -4.364 155 HA LEU 22 HA LEU 22 9.824 -8.818 -1.771 156 HB2 LEU 22 2HB LEU 22 8.211 -6.386 -2.559 157 HB3 LEU 22 1HB LEU 22 8.759 -6.730 -0.934 158 HG LEU 22 HG LEU 22 10.557 -6.168 -3.302 159 HD11 LEU 22 1HD1 LEU 22 9.322 -4.200 -2.588 160 HD12 LEU 22 2HD1 LEU 22 11.030 -4.067 -2.170 161 HD13 LEU 22 3HD1 LEU 22 9.846 -4.465 -0.925 162 HD21 LEU 22 1HD2 LEU 22 11.624 -7.654 -1.679 163 HD22 LEU 22 2HD2 LEU 22 11.208 -6.544 -0.375 164 HD23 LEU 22 3HD2 LEU 22 12.346 -6.048 -1.627 165 H GLY 23 H GLY 23 6.792 -8.231 -3.496 166 HA2 GLY 23 2HA GLY 23 4.936 -9.684 -3.336 167 HA3 GLY 23 1HA GLY 23 5.558 -10.238 -1.789 168 H TRP 24 H TRP 24 3.472 -9.907 -1.015 169 HA TRP 24 HA TRP 24 2.297 -7.338 -0.776 170 HB2 TRP 24 2HB TRP 24 1.792 -9.899 0.758 171 HB3 TRP 24 1HB TRP 24 0.775 -8.465 0.806 172 HD1 TRP 24 HD1 TRP 24 1.616 -11.462 -1.391 173 HE1 TRP 24 HE1 TRP 24 -0.074 -11.548 -3.338 174 HE3 TRP 24 HE3 TRP 24 -0.712 -6.985 -0.628 175 HZ2 TRP 24 HZ2 TRP 24 -2.111 -9.911 -4.410 176 HZ3 TRP 24 HZ3 TRP 24 -2.473 -6.321 -2.141 177 HH2 TRP 24 HH2 TRP 24 -3.181 -7.721 -3.981 178 H VAL 25 H VAL 25 3.221 -5.815 0.368 179 HA VAL 25 HA VAL 25 4.509 -6.538 2.891 180 HB VAL 25 HB VAL 25 5.754 -4.418 2.750 181 HG11 VAL 25 1HG1 VAL 25 7.248 -4.959 0.880 182 HG12 VAL 25 2HG1 VAL 25 6.040 -6.083 0.256 183 HG13 VAL 25 3HG1 VAL 25 6.805 -6.387 1.816 184 HG21 VAL 25 1HG2 VAL 25 5.728 -3.049 0.694 185 HG22 VAL 25 2HG2 VAL 25 4.150 -3.074 1.481 186 HG23 VAL 25 3HG2 VAL 25 4.434 -4.061 0.049 187 H ARG 26 H ARG 26 4.304 -4.739 4.534 188 HA ARG 26 HA ARG 26 1.518 -4.169 4.890 189 HB2 ARG 26 2HB ARG 26 2.997 -4.622 6.826 190 HB3 ARG 26 1HB ARG 26 3.902 -3.155 6.458 191 HG2 ARG 26 2HG ARG 26 1.739 -1.884 6.779 192 HG3 ARG 26 1HG ARG 26 1.052 -3.375 7.417 193 HD2 ARG 26 2HD ARG 26 3.458 -1.919 8.515 194 HD3 ARG 26 1HD ARG 26 1.840 -1.889 9.203 195 HE ARG 26 HE ARG 26 2.233 -4.417 9.328 196 HH11 ARG 26 1HH1 ARG 26 4.841 -1.961 9.811 197 HH12 ARG 26 2HH1 ARG 26 5.614 -2.801 11.004 198 HH21 ARG 26 1HH2 ARG 26 3.393 -5.617 11.056 199 HH22 ARG 26 2HH2 ARG 26 4.795 -4.935 11.743 200 H ALA 27 H ALA 27 0.513 -2.405 4.283 201 HA ALA 27 HA ALA 27 2.048 0.007 3.759 202 HB1 ALA 27 1HB ALA 27 -0.033 -1.136 1.912 203 HB2 ALA 27 2HB ALA 27 1.701 -1.090 1.595 204 HB3 ALA 27 3HB ALA 27 0.784 0.413 1.720 205 H ARG 28 H ARG 28 0.540 1.825 3.538 206 HA ARG 28 HA ARG 28 -1.786 1.543 5.356 207 HB2 ARG 28 2HB ARG 28 0.035 3.930 5.131 208 HB3 ARG 28 1HB ARG 28 -1.132 3.571 6.392 209 HG2 ARG 28 2HG ARG 28 0.288 1.933 7.359 210 HG3 ARG 28 1HG ARG 28 1.364 1.952 5.960 211 HD2 ARG 28 2HD ARG 28 1.824 4.364 6.477 212 HD3 ARG 28 1HD ARG 28 0.941 4.137 7.985 213 HE ARG 28 HE ARG 28 2.707 2.213 8.252 214 HH11 ARG 28 1HH1 ARG 28 3.371 5.422 6.851 215 HH12 ARG 28 2HH1 ARG 28 4.961 5.464 7.441 216 HH21 ARG 28 1HH2 ARG 28 4.761 2.262 8.969 217 HH22 ARG 28 2HH2 ARG 28 5.851 3.545 8.694 218 H VAL 29 H VAL 29 -3.542 2.616 4.597 219 HA VAL 29 HA VAL 29 -3.335 3.688 1.909 220 HB VAL 29 HB VAL 29 -5.682 3.594 3.800 221 HG11 VAL 29 1HG1 VAL 29 -7.067 3.960 1.759 222 HG12 VAL 29 2HG1 VAL 29 -5.588 4.099 0.807 223 HG13 VAL 29 3HG1 VAL 29 -5.953 5.299 2.046 224 HG21 VAL 29 1HG2 VAL 29 -4.990 1.725 1.537 225 HG22 VAL 29 2HG2 VAL 29 -6.485 1.683 2.471 226 HG23 VAL 29 3HG2 VAL 29 -4.943 1.352 3.260 227 H ILE 30 H ILE 30 -2.522 5.632 1.722 228 HA ILE 30 HA ILE 30 -2.811 7.528 3.919 229 HB ILE 30 HB ILE 30 -0.989 7.319 1.561 230 HG12 ILE 30 2HG1 ILE 30 0.767 7.817 3.173 231 HG13 ILE 30 1HG1 ILE 30 -0.420 8.246 4.388 232 HG21 ILE 30 1HG2 ILE 30 -1.871 9.572 1.277 233 HG22 ILE 30 2HG2 ILE 30 -0.200 9.652 1.834 234 HG23 ILE 30 3HG2 ILE 30 -1.521 9.946 2.965 235 HD11 ILE 30 1HD1 ILE 30 0.590 6.098 4.816 236 HD12 ILE 30 2HD1 ILE 30 0.031 5.512 3.244 237 HD13 ILE 30 3HD1 ILE 30 -1.135 5.934 4.496 238 H ARG 31 H ARG 31 -3.854 7.088 0.567 239 HA ARG 31 HA ARG 31 -5.553 9.240 1.072 240 HB2 ARG 31 2HB ARG 31 -3.813 10.377 0.179 241 HB3 ARG 31 1HB ARG 31 -3.373 8.890 -0.646 242 HG2 ARG 31 2HG ARG 31 -4.516 9.189 -2.413 243 HG3 ARG 31 1HG ARG 31 -5.826 9.983 -1.578 244 HD2 ARG 31 2HD ARG 31 -4.817 11.482 -3.132 245 HD3 ARG 31 1HD ARG 31 -4.232 12.080 -1.556 246 HE ARG 31 HE ARG 31 -2.711 11.111 -3.808 247 HH11 ARG 31 1HH1 ARG 31 -2.241 11.205 -0.200 248 HH12 ARG 31 2HH1 ARG 31 -0.550 11.059 -0.391 249 HH21 ARG 31 1HH2 ARG 31 -0.314 11.102 -3.840 250 HH22 ARG 31 2HH2 ARG 31 0.492 11.022 -2.370 251 H VAL 32 H VAL 32 -7.184 9.056 0.031 252 HA VAL 32 HA VAL 32 -7.655 6.892 -1.833 253 HB VAL 32 HB VAL 32 -10.040 7.109 -1.265 254 HG11 VAL 32 1HG1 VAL 32 -9.922 5.966 0.933 255 HG12 VAL 32 2HG1 VAL 32 -8.240 6.476 1.076 256 HG13 VAL 32 3HG1 VAL 32 -8.718 5.362 -0.206 257 HG21 VAL 32 1HG2 VAL 32 -10.726 8.259 0.822 258 HG22 VAL 32 2HG2 VAL 32 -10.112 9.375 -0.399 259 HG23 VAL 32 3HG2 VAL 32 -9.094 8.915 0.963 260 H LYS 33 H LYS 33 -8.107 7.450 -3.746 261 HA LYS 33 HA LYS 33 -8.649 10.232 -4.488 262 HB2 LYS 33 2HB LYS 33 -7.146 8.296 -5.352 263 HB3 LYS 33 1HB LYS 33 -8.464 8.004 -6.451 264 HG2 LYS 33 2HG LYS 33 -7.331 9.528 -7.736 265 HG3 LYS 33 1HG LYS 33 -8.104 10.713 -6.674 266 HD2 LYS 33 2HD LYS 33 -6.175 10.482 -5.131 267 HD3 LYS 33 1HD LYS 33 -5.447 9.426 -6.369 268 HE2 LYS 33 2HE LYS 33 -4.585 11.777 -6.528 269 HE3 LYS 33 1HE LYS 33 -5.465 11.291 -7.977 270 HZ1 LYS 33 1HZ LYS 33 -7.410 12.522 -7.164 271 HZ2 LYS 33 2HZ LYS 33 -6.083 13.546 -7.266 272 HZ3 LYS 33 3HZ LYS 33 -6.580 12.972 -5.768 273 H SER 34 H SER 34 -10.057 9.296 -6.902 274 HA SER 34 HA SER 34 -12.051 7.827 -5.675 275 HB2 SER 34 2HB SER 34 -12.634 10.265 -7.389 276 HB3 SER 34 1HB SER 34 -13.878 9.177 -6.766 277 HG SER 34 HG SER 34 -12.493 9.764 -4.688 278 H GLY 35 H GLY 35 -13.604 6.919 -7.574 279 HA2 GLY 35 2HA GLY 35 -13.823 5.971 -9.665 280 HA3 GLY 35 1HA GLY 35 -12.249 6.626 -10.110 281 H GLY 36 H GLY 36 -10.390 5.539 -9.516 282 HA2 GLY 36 2HA GLY 36 -10.631 2.959 -8.204 283 HA3 GLY 36 1HA GLY 36 -10.158 2.915 -9.899 284 H ARG 37 H ARG 37 -9.278 5.366 -7.538 285 HA ARG 37 HA ARG 37 -6.505 4.475 -7.842 286 HB2 ARG 37 2HB ARG 37 -6.859 6.243 -9.133 287 HB3 ARG 37 1HB ARG 37 -7.392 7.287 -7.802 288 HG2 ARG 37 2HG ARG 37 -5.253 7.277 -6.864 289 HG3 ARG 37 1HG ARG 37 -4.782 5.811 -7.741 290 HD2 ARG 37 2HD ARG 37 -5.078 6.897 -9.706 291 HD3 ARG 37 1HD ARG 37 -5.515 8.369 -8.854 292 HE ARG 37 HE ARG 37 -2.967 7.358 -8.058 293 HH11 ARG 37 1HH1 ARG 37 -4.367 9.084 -10.832 294 HH12 ARG 37 2HH1 ARG 37 -2.942 9.868 -11.311 295 HH21 ARG 37 1HH2 ARG 37 -0.921 8.477 -8.717 296 HH22 ARG 37 2HH2 ARG 37 -0.918 9.511 -10.061 297 H VAL 38 H VAL 38 -5.371 4.227 -6.178 298 HA VAL 38 HA VAL 38 -6.144 5.450 -3.681 299 HB VAL 38 HB VAL 38 -5.430 3.331 -2.529 300 HG11 VAL 38 1HG1 VAL 38 -7.960 3.203 -4.192 301 HG12 VAL 38 2HG1 VAL 38 -7.797 3.967 -2.610 302 HG13 VAL 38 3HG1 VAL 38 -7.650 2.216 -2.765 303 HG21 VAL 38 1HG2 VAL 38 -5.885 2.109 -5.248 304 HG22 VAL 38 2HG2 VAL 38 -5.690 1.195 -3.751 305 HG23 VAL 38 3HG2 VAL 38 -4.359 2.178 -4.364 306 H VAL 39 H VAL 39 -4.420 6.237 -2.569 307 HA VAL 39 HA VAL 39 -1.798 5.497 -3.605 308 HB VAL 39 HB VAL 39 -2.568 8.096 -2.251 309 HG11 VAL 39 1HG1 VAL 39 -0.392 8.850 -3.054 310 HG12 VAL 39 2HG1 VAL 39 -0.096 7.246 -3.733 311 HG13 VAL 39 3HG1 VAL 39 -0.257 7.453 -1.988 312 HG21 VAL 39 1HG2 VAL 39 -2.152 7.564 -5.195 313 HG22 VAL 39 2HG2 VAL 39 -2.378 9.152 -4.463 314 HG23 VAL 39 3HG2 VAL 39 -3.684 7.966 -4.421 315 H VAL 40 H VAL 40 -0.483 4.585 -2.217 316 HA VAL 40 HA VAL 40 -1.310 4.406 0.581 317 HB VAL 40 HB VAL 40 -0.730 1.987 0.519 318 HG11 VAL 40 1HG1 VAL 40 -2.729 1.158 -0.653 319 HG12 VAL 40 2HG1 VAL 40 -2.911 2.726 -1.438 320 HG13 VAL 40 3HG1 VAL 40 -3.092 2.591 0.307 321 HG21 VAL 40 1HG2 VAL 40 -0.559 0.818 -1.667 322 HG22 VAL 40 2HG2 VAL 40 0.760 1.954 -1.399 323 HG23 VAL 40 3HG2 VAL 40 -0.567 2.386 -2.473 324 H GLN 41 H GLN 41 0.414 3.878 1.900 325 HA GLN 41 HA GLN 41 3.049 4.297 0.672 326 HB2 GLN 41 2HB GLN 41 2.334 6.222 2.072 327 HB3 GLN 41 1HB GLN 41 2.119 5.124 3.420 328 HG2 GLN 41 2HG GLN 41 4.536 4.581 3.269 329 HG3 GLN 41 1HG GLN 41 4.749 5.864 2.098 330 HE21 GLN 41 1HE2 GLN 41 5.982 7.181 3.281 331 HE22 GLN 41 2HE2 GLN 41 5.470 7.955 4.743 332 H SER 42 H SER 42 4.151 2.501 0.763 333 HA SER 42 HA SER 42 3.611 0.293 2.383 334 HB2 SER 42 2HB SER 42 6.221 1.296 1.237 335 HB3 SER 42 1HB SER 42 6.005 -0.317 1.902 336 HG SER 42 HG SER 42 5.799 0.049 -0.483 337 H ASP 43 H ASP 43 4.483 -0.296 4.331 338 HA ASP 43 HA ASP 43 4.534 1.704 6.283 339 HB2 ASP 43 2HB ASP 43 3.919 -0.734 6.522 340 HB3 ASP 43 1HB ASP 43 5.638 -1.082 6.606 341 H GLN 44 H GLN 44 6.980 0.485 4.349 342 HA GLN 44 HA GLN 44 9.224 1.347 5.927 343 HB2 GLN 44 2HB GLN 44 10.527 0.749 3.892 344 HB3 GLN 44 1HB GLN 44 9.564 -0.575 4.571 345 HG2 GLN 44 2HG GLN 44 7.862 -0.088 2.829 346 HG3 GLN 44 1HG GLN 44 8.972 1.090 2.136 347 HE21 GLN 44 1HE2 GLN 44 7.891 -1.273 0.891 348 HE22 GLN 44 2HE2 GLN 44 9.220 -2.243 0.468 349 H GLY 45 H GLY 45 7.005 3.030 4.096 350 HA2 GLY 45 2HA GLY 45 7.294 5.442 4.379 351 HA3 GLY 45 1HA GLY 45 8.953 5.244 3.893 352 H ARG 46 H ARG 46 7.629 3.381 1.562 353 HA ARG 46 HA ARG 46 7.707 5.583 -0.218 354 HB2 ARG 46 2HB ARG 46 7.516 2.619 -0.530 355 HB3 ARG 46 1HB ARG 46 7.308 3.673 -1.904 356 HG2 ARG 46 2HG ARG 46 9.446 3.379 -2.130 357 HG3 ARG 46 1HG ARG 46 9.567 4.612 -0.875 358 HD2 ARG 46 2HD ARG 46 10.883 2.994 -0.215 359 HD3 ARG 46 1HD ARG 46 9.440 2.689 0.769 360 HE ARG 46 HE ARG 46 8.933 0.921 -1.032 361 HH11 ARG 46 1HH1 ARG 46 12.235 1.784 -0.020 362 HH12 ARG 46 2HH1 ARG 46 12.908 0.285 -0.471 363 HH21 ARG 46 1HH2 ARG 46 9.867 -1.104 -1.637 364 HH22 ARG 46 2HH2 ARG 46 11.523 -1.413 -1.444 365 H GLU 47 H GLU 47 5.977 6.863 -0.542 366 HA GLU 47 HA GLU 47 3.244 5.765 -0.554 367 HB2 GLU 47 2HB GLU 47 3.740 8.075 0.450 368 HB3 GLU 47 1HB GLU 47 4.155 8.610 -1.176 369 HG2 GLU 47 2HG GLU 47 1.818 7.784 -1.852 370 HG3 GLU 47 1HG GLU 47 1.483 7.714 -0.138 371 H PHE 48 H PHE 48 2.309 5.157 -2.328 372 HA PHE 48 HA PHE 48 2.935 6.305 -4.876 373 HB2 PHE 48 2HB PHE 48 3.392 4.067 -5.956 374 HB3 PHE 48 1HB PHE 48 4.680 4.641 -4.907 375 HD1 PHE 48 HD1 PHE 48 2.000 2.139 -5.301 376 HD2 PHE 48 HD2 PHE 48 5.223 3.512 -2.894 377 HE1 PHE 48 HE1 PHE 48 1.953 0.029 -4.030 378 HE2 PHE 48 HE2 PHE 48 5.179 1.428 -1.632 379 HZ PHE 48 HZ PHE 48 3.568 -0.311 -2.170 380 H THR 49 H THR 49 1.544 5.125 -6.564 381 HA THR 49 HA THR 49 -1.000 4.632 -5.251 382 HB THR 49 HB THR 49 -0.931 6.693 -6.665 383 HG1 THR 49 HG1 THR 49 -2.741 4.879 -6.662 384 HG21 THR 49 1HG2 THR 49 -0.825 6.503 -9.119 385 HG22 THR 49 2HG2 THR 49 -0.443 4.787 -8.959 386 HG23 THR 49 3HG2 THR 49 0.686 5.999 -8.358 387 H ALA 50 H ALA 50 -2.077 2.771 -5.753 388 HA ALA 50 HA ALA 50 -0.760 0.971 -7.640 389 HB1 ALA 50 1HB ALA 50 -0.985 -0.850 -6.030 390 HB2 ALA 50 2HB ALA 50 -1.649 0.270 -4.841 391 HB3 ALA 50 3HB ALA 50 0.023 0.439 -5.374 392 H ARG 51 H ARG 51 -2.234 -0.970 -7.916 393 HA ARG 51 HA ARG 51 -4.904 0.028 -8.574 394 HB2 ARG 51 2HB ARG 51 -3.644 -2.679 -8.989 395 HB3 ARG 51 1HB ARG 51 -5.220 -2.203 -9.590 396 HG2 ARG 51 2HG ARG 51 -4.120 -0.541 -11.037 397 HG3 ARG 51 1HG ARG 51 -2.549 -1.094 -10.432 398 HD2 ARG 51 2HD ARG 51 -3.039 -3.356 -11.217 399 HD3 ARG 51 1HD ARG 51 -4.598 -2.815 -11.822 400 HE ARG 51 HE ARG 51 -2.462 -1.318 -12.904 401 HH11 ARG 51 1HH1 ARG 51 -4.197 -4.396 -13.187 402 HH12 ARG 51 2HH1 ARG 51 -3.790 -4.700 -14.802 403 HH21 ARG 51 1HH2 ARG 51 -1.856 -1.706 -15.191 404 HH22 ARG 51 2HH2 ARG 51 -2.401 -3.104 -15.986 405 H GLY 52 H GLY 52 -6.825 -1.303 -7.954 406 HA2 GLY 52 2HA GLY 52 -6.795 -2.147 -5.196 407 HA3 GLY 52 1HA GLY 52 -8.162 -2.290 -6.311 408 H ASN 53 H ASN 53 -5.618 -3.559 -7.758 409 HA ASN 53 HA ASN 53 -6.272 -6.301 -7.121 410 HB2 ASN 53 2HB ASN 53 -4.222 -5.200 -9.072 411 HB3 ASN 53 1HB ASN 53 -4.741 -6.874 -8.968 412 HD21 ASN 53 1HD2 ASN 53 -7.521 -6.088 -8.544 413 HD22 ASN 53 2HD2 ASN 53 -8.106 -5.610 -10.099 414 H GLN 54 H GLN 54 -3.978 -3.836 -6.570 415 HA GLN 54 HA GLN 54 -1.845 -5.594 -5.637 416 HB2 GLN 54 2HB GLN 54 -2.050 -2.683 -6.258 417 HB3 GLN 54 1HB GLN 54 -0.643 -3.346 -5.468 418 HG2 GLN 54 2HG GLN 54 -0.218 -4.738 -7.414 419 HG3 GLN 54 1HG GLN 54 -1.676 -4.099 -8.186 420 HE21 GLN 54 1HE2 GLN 54 1.511 -3.310 -7.019 421 HE22 GLN 54 2HE2 GLN 54 1.705 -1.863 -7.918 422 H VAL 55 H VAL 55 -4.466 -3.757 -4.525 423 HA VAL 55 HA VAL 55 -3.260 -3.672 -1.846 424 HB VAL 55 HB VAL 55 -5.391 -1.768 -2.790 425 HG11 VAL 55 1HG1 VAL 55 -4.800 -0.401 -0.854 426 HG12 VAL 55 2HG1 VAL 55 -3.677 -1.663 -0.345 427 HG13 VAL 55 3HG1 VAL 55 -5.400 -2.008 -0.453 428 HG21 VAL 55 1HG2 VAL 55 -3.453 -1.235 -4.147 429 HG22 VAL 55 2HG2 VAL 55 -2.427 -1.150 -2.720 430 HG23 VAL 55 3HG2 VAL 55 -3.705 0.040 -2.960 431 H ARG 56 H ARG 56 -4.170 -4.833 -0.497 432 HA ARG 56 HA ARG 56 -6.974 -5.395 -0.862 433 HB2 ARG 56 2HB ARG 56 -4.843 -7.248 0.092 434 HB3 ARG 56 1HB ARG 56 -6.540 -7.610 -0.181 435 HG2 ARG 56 2HG ARG 56 -4.621 -6.721 -2.260 436 HG3 ARG 56 1HG ARG 56 -4.973 -8.400 -2.007 437 HD2 ARG 56 2HD ARG 56 -6.758 -6.169 -3.004 438 HD3 ARG 56 1HD ARG 56 -6.249 -7.596 -3.895 439 HE ARG 56 HE ARG 56 -7.642 -8.672 -1.909 440 HH11 ARG 56 1HH1 ARG 56 -8.359 -5.969 -4.086 441 HH12 ARG 56 2HH1 ARG 56 -10.038 -6.186 -4.110 442 HH21 ARG 56 1HH2 ARG 56 -10.012 -9.024 -1.902 443 HH22 ARG 56 2HH2 ARG 56 -11.015 -8.003 -2.814 444 H LEU 57 H LEU 57 -7.998 -4.986 0.964 445 HA LEU 57 HA LEU 57 -6.778 -3.965 3.233 446 HB2 LEU 57 2HB LEU 57 -9.047 -4.303 4.364 447 HB3 LEU 57 1HB LEU 57 -8.972 -3.262 2.964 448 HG LEU 57 HG LEU 57 -9.769 -5.194 1.612 449 HD11 LEU 57 1HD1 LEU 57 -10.428 -6.393 4.304 450 HD12 LEU 57 2HD1 LEU 57 -9.294 -7.035 3.117 451 HD13 LEU 57 3HD1 LEU 57 -11.020 -6.992 2.753 452 HD21 LEU 57 1HD2 LEU 57 -11.236 -3.368 2.178 453 HD22 LEU 57 2HD2 LEU 57 -11.602 -4.103 3.739 454 HD23 LEU 57 3HD2 LEU 57 -12.136 -4.883 2.250 455 H ILE 58 H ILE 58 -7.420 -4.938 5.544 456 HA ILE 58 HA ILE 58 -5.827 -7.249 5.758 457 HB ILE 58 HB ILE 58 -6.465 -7.211 8.225 458 HG12 ILE 58 2HG1 ILE 58 -7.672 -4.538 7.422 459 HG13 ILE 58 1HG1 ILE 58 -8.576 -5.935 7.992 460 HG21 ILE 58 1HG2 ILE 58 -5.106 -4.831 6.984 461 HG22 ILE 58 2HG2 ILE 58 -4.365 -6.375 7.405 462 HG23 ILE 58 3HG2 ILE 58 -4.972 -5.314 8.676 463 HD11 ILE 58 1HD1 ILE 58 -6.555 -4.362 9.578 464 HD12 ILE 58 2HD1 ILE 58 -7.458 -5.760 10.162 465 HD13 ILE 58 3HD1 ILE 58 -8.308 -4.272 9.744 466 H GLU 59 H GLU 59 -6.646 -8.820 4.677 467 HA GLU 59 HA GLU 59 -8.095 -10.777 6.017 468 HB2 GLU 59 2HB GLU 59 -10.037 -9.408 5.064 469 HB3 GLU 59 1HB GLU 59 -9.342 -9.616 3.469 470 HG2 GLU 59 2HG GLU 59 -11.173 -11.144 3.708 471 HG3 GLU 59 1HG GLU 59 -9.678 -12.070 3.693 Start of MODEL 20 1 H1 SER 1 1H SER 1 -19.087 -9.053 -7.537 2 H2 SER 1 2H SER 1 -17.592 -8.903 -6.747 3 H3 SER 1 3H SER 1 -17.667 -9.101 -8.461 4 HA SER 1 HA SER 1 -17.143 -6.880 -7.788 5 HB2 SER 1 2HB SER 1 -19.819 -7.182 -9.167 6 HB3 SER 1 1HB SER 1 -18.583 -5.954 -9.473 7 HG SER 1 HG SER 1 -18.110 -7.390 -11.004 8 H ASN 2 H ASN 2 -20.712 -7.290 -7.494 9 HA ASN 2 HA ASN 2 -22.193 -6.740 -5.953 10 HB2 ASN 2 2HB ASN 2 -19.853 -6.550 -4.006 11 HB3 ASN 2 1HB ASN 2 -21.551 -6.597 -3.561 12 HD21 ASN 2 1HD2 ASN 2 -21.313 -8.436 -2.311 13 HD22 ASN 2 2HD2 ASN 2 -21.021 -9.997 -2.987 14 H ALA 3 H ALA 3 -22.185 -4.806 -3.904 15 HA ALA 3 HA ALA 3 -21.787 -2.482 -5.594 16 HB1 ALA 3 1HB ALA 3 -23.588 -2.776 -3.184 17 HB2 ALA 3 2HB ALA 3 -24.108 -2.859 -4.867 18 HB3 ALA 3 3HB ALA 3 -23.463 -1.351 -4.216 19 H MET 4 H MET 4 -19.544 -2.489 -5.085 20 HA MET 4 HA MET 4 -18.996 -1.103 -2.598 21 HB2 MET 4 2HB MET 4 -17.429 -3.384 -3.804 22 HB3 MET 4 1HB MET 4 -16.666 -2.201 -2.767 23 HG2 MET 4 2HG MET 4 -17.138 -4.062 -1.405 24 HG3 MET 4 1HG MET 4 -18.346 -2.858 -0.996 25 HE1 MET 4 1HE MET 4 -19.828 -4.615 0.236 26 HE2 MET 4 2HE MET 4 -18.596 -5.836 -0.084 27 HE3 MET 4 3HE MET 4 -20.290 -6.177 -0.442 28 H GLU 5 H GLU 5 -17.203 0.338 -2.774 29 HA GLU 5 HA GLU 5 -16.458 1.138 -5.489 30 HB2 GLU 5 2HB GLU 5 -17.588 2.843 -3.260 31 HB3 GLU 5 1HB GLU 5 -16.788 3.477 -4.681 32 HG2 GLU 5 2HG GLU 5 -18.555 2.443 -6.080 33 HG3 GLU 5 1HG GLU 5 -19.374 1.941 -4.602 34 H LEU 6 H LEU 6 -15.124 3.392 -4.385 35 HA LEU 6 HA LEU 6 -12.970 1.965 -3.089 36 HB2 LEU 6 2HB LEU 6 -13.047 4.884 -3.809 37 HB3 LEU 6 1HB LEU 6 -11.738 3.977 -3.058 38 HG LEU 6 HG LEU 6 -12.799 3.425 -5.828 39 HD11 LEU 6 1HD1 LEU 6 -11.723 5.608 -5.731 40 HD12 LEU 6 2HD1 LEU 6 -10.731 4.455 -6.627 41 HD13 LEU 6 3HD1 LEU 6 -10.306 4.884 -4.970 42 HD21 LEU 6 1HD2 LEU 6 -10.356 2.407 -4.369 43 HD22 LEU 6 2HD2 LEU 6 -10.741 2.086 -6.056 44 HD23 LEU 6 3HD2 LEU 6 -11.791 1.466 -4.784 45 H ASP 7 H ASP 7 -14.254 1.462 -1.367 46 HA ASP 7 HA ASP 7 -14.820 3.564 0.496 47 HB2 ASP 7 2HB ASP 7 -15.836 1.575 1.828 48 HB3 ASP 7 1HB ASP 7 -16.703 2.178 0.415 49 H LEU 8 H LEU 8 -12.354 2.290 -0.238 50 HA LEU 8 HA LEU 8 -11.158 1.645 2.359 51 HB2 LEU 8 2HB LEU 8 -9.820 2.068 -0.311 52 HB3 LEU 8 1HB LEU 8 -9.052 1.441 1.123 53 HG LEU 8 HG LEU 8 -11.216 0.022 -0.441 54 HD11 LEU 8 1HD1 LEU 8 -9.113 0.106 -1.653 55 HD12 LEU 8 2HD1 LEU 8 -9.435 -1.529 -1.075 56 HD13 LEU 8 3HD1 LEU 8 -8.257 -0.515 -0.242 57 HD21 LEU 8 1HD2 LEU 8 -10.693 -1.894 1.002 58 HD22 LEU 8 2HD2 LEU 8 -11.296 -0.529 1.940 59 HD23 LEU 8 3HD2 LEU 8 -9.570 -0.893 1.923 60 H GLN 9 H GLN 9 -10.510 3.255 3.592 61 HA GLN 9 HA GLN 9 -10.226 5.872 2.342 62 HB2 GLN 9 2HB GLN 9 -11.482 5.133 4.967 63 HB3 GLN 9 1HB GLN 9 -11.056 6.782 4.568 64 HG2 GLN 9 2HG GLN 9 -12.972 5.059 3.003 65 HG3 GLN 9 1HG GLN 9 -13.427 6.324 4.146 66 HE21 GLN 9 1HE2 GLN 9 -12.094 5.655 0.981 67 HE22 GLN 9 2HE2 GLN 9 -12.237 7.271 0.397 68 HA PRO 10 HA PRO 10 -6.244 6.504 4.074 69 HB2 PRO 10 2HB PRO 10 -7.133 9.017 5.350 70 HB3 PRO 10 1HB PRO 10 -5.899 8.754 4.124 71 HG2 PRO 10 2HG PRO 10 -8.214 9.897 3.477 72 HG3 PRO 10 1HG PRO 10 -7.333 8.837 2.362 73 HD2 PRO 10 2HD PRO 10 -9.758 8.262 3.949 74 HD3 PRO 10 1HD PRO 10 -9.307 7.684 2.349 75 H GLY 11 H GLY 11 -5.377 5.651 5.779 76 HA2 GLY 11 2HA GLY 11 -5.050 5.741 8.214 77 HA3 GLY 11 1HA GLY 11 -6.802 5.840 8.355 78 H ASP 12 H ASP 12 -6.705 3.800 5.978 79 HA ASP 12 HA ASP 12 -7.171 1.501 7.582 80 HB2 ASP 12 2HB ASP 12 -8.264 2.038 5.338 81 HB3 ASP 12 1HB ASP 12 -6.745 1.586 4.613 82 H VAL 13 H VAL 13 -6.132 -0.529 7.292 83 HA VAL 13 HA VAL 13 -3.184 -0.295 7.058 84 HB VAL 13 HB VAL 13 -4.679 -2.273 8.808 85 HG11 VAL 13 1HG1 VAL 13 -2.496 -3.043 8.114 86 HG12 VAL 13 2HG1 VAL 13 -2.488 -2.672 9.839 87 HG13 VAL 13 3HG1 VAL 13 -1.757 -1.549 8.692 88 HG21 VAL 13 1HG2 VAL 13 -5.048 -0.038 9.708 89 HG22 VAL 13 2HG2 VAL 13 -3.316 0.282 9.665 90 HG23 VAL 13 3HG2 VAL 13 -3.958 -0.946 10.755 91 H VAL 14 H VAL 14 -2.623 -1.238 5.211 92 HA VAL 14 HA VAL 14 -4.104 -3.629 4.413 93 HB VAL 14 HB VAL 14 -3.885 -2.941 2.063 94 HG11 VAL 14 1HG1 VAL 14 -5.323 -0.935 3.796 95 HG12 VAL 14 2HG1 VAL 14 -6.007 -2.417 3.121 96 HG13 VAL 14 3HG1 VAL 14 -5.545 -1.094 2.063 97 HG21 VAL 14 1HG2 VAL 14 -1.950 -1.491 2.237 98 HG22 VAL 14 2HG2 VAL 14 -2.882 -0.319 3.168 99 HG23 VAL 14 3HG2 VAL 14 -3.288 -0.625 1.478 100 H LYS 15 H LYS 15 -2.971 -4.827 2.754 101 HA LYS 15 HA LYS 15 -0.067 -4.549 2.766 102 HB2 LYS 15 2HB LYS 15 -0.160 -7.046 2.215 103 HB3 LYS 15 1HB LYS 15 -0.468 -6.619 3.884 104 HG2 LYS 15 2HG LYS 15 -2.857 -6.796 3.492 105 HG3 LYS 15 1HG LYS 15 -2.553 -7.191 1.806 106 HD2 LYS 15 2HD LYS 15 -1.405 -9.165 2.456 107 HD3 LYS 15 1HD LYS 15 -1.611 -8.805 4.181 108 HE2 LYS 15 2HE LYS 15 -4.073 -8.829 3.815 109 HE3 LYS 15 1HE LYS 15 -3.786 -9.333 2.156 110 HZ1 LYS 15 1HZ LYS 15 -4.380 -11.123 3.578 111 HZ2 LYS 15 2HZ LYS 15 -3.069 -10.891 4.587 112 HZ3 LYS 15 3HZ LYS 15 -2.835 -11.400 2.966 113 H VAL 16 H VAL 16 0.708 -4.213 0.843 114 HA VAL 16 HA VAL 16 -1.077 -4.617 -1.453 115 HB VAL 16 HB VAL 16 0.898 -2.361 -1.070 116 HG11 VAL 16 1HG1 VAL 16 0.736 -3.004 -3.399 117 HG12 VAL 16 2HG1 VAL 16 -0.033 -1.435 -3.151 118 HG13 VAL 16 3HG1 VAL 16 -1.021 -2.884 -3.337 119 HG21 VAL 16 1HG2 VAL 16 -1.023 -1.962 0.320 120 HG22 VAL 16 2HG2 VAL 16 -2.102 -2.354 -1.012 121 HG23 VAL 16 3HG2 VAL 16 -1.126 -0.891 -1.085 122 H LEU 17 H LEU 17 -0.214 -5.790 -2.954 123 HA LEU 17 HA LEU 17 2.573 -6.435 -2.696 124 HB2 LEU 17 2HB LEU 17 1.074 -8.294 -3.179 125 HB3 LEU 17 1HB LEU 17 0.480 -7.538 -4.620 126 HG LEU 17 HG LEU 17 3.375 -8.404 -4.322 127 HD11 LEU 17 1HD1 LEU 17 1.052 -9.987 -5.431 128 HD12 LEU 17 2HD1 LEU 17 1.931 -10.343 -3.944 129 HD13 LEU 17 3HD1 LEU 17 2.748 -10.465 -5.502 130 HD21 LEU 17 1HD2 LEU 17 3.334 -8.491 -6.772 131 HD22 LEU 17 2HD2 LEU 17 2.902 -6.881 -6.195 132 HD23 LEU 17 3HD2 LEU 17 1.645 -7.977 -6.769 133 H GLU 18 H GLU 18 3.732 -4.865 -3.255 134 HA GLU 18 HA GLU 18 3.067 -2.840 -5.103 135 HB2 GLU 18 2HB GLU 18 4.625 -2.522 -3.229 136 HB3 GLU 18 1HB GLU 18 5.761 -3.626 -3.985 137 HG2 GLU 18 2HG GLU 18 5.842 -2.081 -5.931 138 HG3 GLU 18 1HG GLU 18 4.892 -0.936 -5.004 139 H SER 19 H SER 19 5.670 -5.189 -5.210 140 HA SER 19 HA SER 19 5.452 -5.397 -8.097 141 HB2 SER 19 2HB SER 19 7.893 -4.561 -6.529 142 HB3 SER 19 1HB SER 19 7.953 -5.035 -8.242 143 HG SER 19 HG SER 19 7.201 -2.687 -7.038 144 H ALA 20 H ALA 20 6.342 -7.358 -8.872 145 HA ALA 20 HA ALA 20 6.381 -9.484 -6.968 146 HB1 ALA 20 1HB ALA 20 5.376 -9.805 -9.191 147 HB2 ALA 20 2HB ALA 20 6.684 -10.955 -8.910 148 HB3 ALA 20 3HB ALA 20 6.952 -9.548 -9.938 149 H ALA 21 H ALA 21 8.025 -8.988 -5.694 150 HA ALA 21 HA ALA 21 10.531 -10.104 -6.019 151 HB1 ALA 21 1HB ALA 21 11.964 -8.067 -6.049 152 HB2 ALA 21 2HB ALA 21 10.531 -7.073 -6.306 153 HB3 ALA 21 3HB ALA 21 11.043 -8.217 -7.546 154 H LEU 22 H LEU 22 8.662 -7.450 -4.726 155 HA LEU 22 HA LEU 22 9.750 -7.853 -2.050 156 HB2 LEU 22 2HB LEU 22 7.749 -5.839 -3.080 157 HB3 LEU 22 1HB LEU 22 8.393 -5.880 -1.454 158 HG LEU 22 HG LEU 22 9.975 -5.310 -3.964 159 HD11 LEU 22 1HD1 LEU 22 8.463 -3.500 -3.379 160 HD12 LEU 22 2HD1 LEU 22 10.136 -3.042 -3.064 161 HD13 LEU 22 3HD1 LEU 22 9.079 -3.500 -1.727 162 HD21 LEU 22 1HD2 LEU 22 10.815 -5.271 -1.060 163 HD22 LEU 22 2HD2 LEU 22 11.793 -4.716 -2.414 164 HD23 LEU 22 3HD2 LEU 22 11.360 -6.419 -2.285 165 H GLY 23 H GLY 23 6.677 -7.968 -3.813 166 HA2 GLY 23 2HA GLY 23 4.962 -9.578 -3.392 167 HA3 GLY 23 1HA GLY 23 5.749 -9.907 -1.858 168 H TRP 24 H TRP 24 3.804 -9.730 -0.834 169 HA TRP 24 HA TRP 24 2.291 -7.326 -0.786 170 HB2 TRP 24 2HB TRP 24 2.281 -9.763 0.996 171 HB3 TRP 24 1HB TRP 24 1.121 -8.443 1.103 172 HD1 TRP 24 HD1 TRP 24 1.991 -11.499 -1.003 173 HE1 TRP 24 HE1 TRP 24 0.045 -11.926 -2.653 174 HE3 TRP 24 HE3 TRP 24 -0.650 -7.245 -0.214 175 HZ2 TRP 24 HZ2 TRP 24 -2.321 -10.581 -3.514 176 HZ3 TRP 24 HZ3 TRP 24 -2.693 -6.857 -1.482 177 HH2 TRP 24 HH2 TRP 24 -3.519 -8.499 -3.103 178 H VAL 25 H VAL 25 3.222 -5.572 0.009 179 HA VAL 25 HA VAL 25 4.753 -5.806 2.485 180 HB VAL 25 HB VAL 25 5.613 -3.512 2.001 181 HG11 VAL 25 1HG1 VAL 25 7.066 -4.094 0.112 182 HG12 VAL 25 2HG1 VAL 25 6.020 -5.464 -0.256 183 HG13 VAL 25 3HG1 VAL 25 6.912 -5.422 1.264 184 HG21 VAL 25 1HG2 VAL 25 5.253 -2.490 -0.209 185 HG22 VAL 25 2HG2 VAL 25 3.739 -2.646 0.682 186 HG23 VAL 25 3HG2 VAL 25 4.117 -3.777 -0.616 187 H ARG 26 H ARG 26 4.202 -4.535 4.257 188 HA ARG 26 HA ARG 26 1.406 -4.006 4.473 189 HB2 ARG 26 2HB ARG 26 2.755 -4.843 6.390 190 HB3 ARG 26 1HB ARG 26 3.648 -3.331 6.400 191 HG2 ARG 26 2HG ARG 26 1.636 -2.106 6.969 192 HG3 ARG 26 1HG ARG 26 0.684 -3.587 6.880 193 HD2 ARG 26 2HD ARG 26 1.149 -3.094 9.186 194 HD3 ARG 26 1HD ARG 26 2.058 -4.523 8.713 195 HE ARG 26 HE ARG 26 3.697 -2.269 8.368 196 HH11 ARG 26 1HH1 ARG 26 2.288 -4.213 10.966 197 HH12 ARG 26 2HH1 ARG 26 3.421 -3.729 12.156 198 HH21 ARG 26 1HH2 ARG 26 5.179 -1.572 9.939 199 HH22 ARG 26 2HH2 ARG 26 5.178 -2.139 11.540 200 H ALA 27 H ALA 27 0.359 -2.090 4.430 201 HA ALA 27 HA ALA 27 1.894 0.332 4.166 202 HB1 ALA 27 1HB ALA 27 0.803 0.973 2.087 203 HB2 ALA 27 2HB ALA 27 -0.035 -0.577 2.027 204 HB3 ALA 27 3HB ALA 27 1.720 -0.516 1.864 205 H ARG 28 H ARG 28 0.467 2.180 4.090 206 HA ARG 28 HA ARG 28 -2.061 1.734 5.570 207 HB2 ARG 28 2HB ARG 28 0.084 2.811 6.728 208 HB3 ARG 28 1HB ARG 28 -0.366 4.205 5.759 209 HG2 ARG 28 2HG ARG 28 -1.356 4.575 7.838 210 HG3 ARG 28 1HG ARG 28 -2.675 3.974 6.826 211 HD2 ARG 28 2HD ARG 28 -2.219 1.684 7.715 212 HD3 ARG 28 1HD ARG 28 -1.061 2.402 8.830 213 HE ARG 28 HE ARG 28 -3.938 2.983 8.780 214 HH11 ARG 28 1HH1 ARG 28 -0.943 2.607 10.630 215 HH12 ARG 28 2HH1 ARG 28 -1.682 2.758 12.156 216 HH21 ARG 28 1HH2 ARG 28 -4.960 3.175 10.781 217 HH22 ARG 28 2HH2 ARG 28 -4.113 3.106 12.265 218 H VAL 29 H VAL 29 -3.759 2.590 4.492 219 HA VAL 29 HA VAL 29 -3.301 3.934 1.988 220 HB VAL 29 HB VAL 29 -5.809 3.765 3.649 221 HG11 VAL 29 1HG1 VAL 29 -6.996 4.206 1.501 222 HG12 VAL 29 2HG1 VAL 29 -5.437 4.359 0.695 223 HG13 VAL 29 3HG1 VAL 29 -5.906 5.527 1.929 224 HG21 VAL 29 1HG2 VAL 29 -6.485 1.892 2.189 225 HG22 VAL 29 2HG2 VAL 29 -5.025 1.530 3.112 226 HG23 VAL 29 3HG2 VAL 29 -4.906 1.958 1.408 227 H ILE 30 H ILE 30 -2.571 5.856 1.854 228 HA ILE 30 HA ILE 30 -3.003 7.750 4.074 229 HB ILE 30 HB ILE 30 -1.216 7.977 1.640 230 HG12 ILE 30 2HG1 ILE 30 -0.393 6.184 3.069 231 HG13 ILE 30 1HG1 ILE 30 0.675 7.575 3.154 232 HG21 ILE 30 1HG2 ILE 30 -1.890 10.144 2.540 233 HG22 ILE 30 2HG2 ILE 30 -0.176 9.852 2.829 234 HG23 ILE 30 3HG2 ILE 30 -1.334 9.662 4.145 235 HD11 ILE 30 1HD1 ILE 30 -0.314 8.184 5.316 236 HD12 ILE 30 2HD1 ILE 30 0.385 6.566 5.337 237 HD13 ILE 30 3HD1 ILE 30 -1.363 6.767 5.227 238 H ARG 31 H ARG 31 -3.745 7.381 0.646 239 HA ARG 31 HA ARG 31 -5.790 9.195 1.206 240 HB2 ARG 31 2HB ARG 31 -4.730 10.886 0.659 241 HB3 ARG 31 1HB ARG 31 -3.394 9.927 0.783 242 HG2 ARG 31 2HG ARG 31 -3.159 9.316 -1.463 243 HG3 ARG 31 1HG ARG 31 -4.633 10.160 -1.920 244 HD2 ARG 31 2HD ARG 31 -2.747 11.427 -2.569 245 HD3 ARG 31 1HD ARG 31 -3.544 12.290 -1.248 246 HE ARG 31 HE ARG 31 -1.092 10.619 -0.826 247 HH11 ARG 31 1HH1 ARG 31 -2.888 13.593 -0.086 248 HH12 ARG 31 2HH1 ARG 31 -1.698 14.153 1.006 249 HH21 ARG 31 1HH2 ARG 31 0.435 11.338 0.637 250 HH22 ARG 31 2HH2 ARG 31 0.291 12.807 1.438 251 H VAL 32 H VAL 32 -6.889 9.605 -0.599 252 HA VAL 32 HA VAL 32 -6.888 7.562 -2.734 253 HB VAL 32 HB VAL 32 -9.238 9.286 -1.828 254 HG11 VAL 32 1HG1 VAL 32 -9.158 6.959 -3.750 255 HG12 VAL 32 2HG1 VAL 32 -9.375 8.654 -4.177 256 HG13 VAL 32 3HG1 VAL 32 -10.612 7.819 -3.237 257 HG21 VAL 32 1HG2 VAL 32 -8.739 6.355 -1.288 258 HG22 VAL 32 2HG2 VAL 32 -10.208 7.240 -0.873 259 HG23 VAL 32 3HG2 VAL 32 -8.679 7.655 -0.098 260 H LYS 33 H LYS 33 -6.578 8.331 -4.794 261 HA LYS 33 HA LYS 33 -6.002 11.170 -5.075 262 HB2 LYS 33 2HB LYS 33 -4.868 9.059 -5.738 263 HB3 LYS 33 1HB LYS 33 -5.790 9.103 -7.202 264 HG2 LYS 33 2HG LYS 33 -3.878 10.351 -7.822 265 HG3 LYS 33 1HG LYS 33 -4.951 11.632 -7.230 266 HD2 LYS 33 2HD LYS 33 -4.000 11.132 -4.960 267 HD3 LYS 33 1HD LYS 33 -2.827 10.190 -5.752 268 HE2 LYS 33 2HE LYS 33 -1.906 12.485 -5.399 269 HE3 LYS 33 1HE LYS 33 -2.049 12.112 -7.116 270 HZ1 LYS 33 1HZ LYS 33 -4.007 13.729 -5.549 271 HZ2 LYS 33 2HZ LYS 33 -4.113 13.402 -7.195 272 HZ3 LYS 33 3HZ LYS 33 -2.855 14.355 -6.609 273 H SER 34 H SER 34 -7.563 8.545 -6.795 274 HA SER 34 HA SER 34 -9.417 10.380 -7.483 275 HB2 SER 34 2HB SER 34 -7.807 9.019 -9.657 276 HB3 SER 34 1HB SER 34 -9.234 10.003 -9.987 277 HG SER 34 HG SER 34 -7.945 11.554 -8.535 278 H GLY 35 H GLY 35 -10.953 8.800 -9.350 279 HA2 GLY 35 2HA GLY 35 -11.747 6.513 -7.842 280 HA3 GLY 35 1HA GLY 35 -12.375 7.002 -9.412 281 H GLY 36 H GLY 36 -9.669 5.455 -7.830 282 HA2 GLY 36 2HA GLY 36 -9.282 3.133 -8.835 283 HA3 GLY 36 1HA GLY 36 -9.042 4.027 -10.332 284 H ARG 37 H ARG 37 -7.850 6.189 -8.324 285 HA ARG 37 HA ARG 37 -5.144 5.025 -8.149 286 HB2 ARG 37 2HB ARG 37 -5.741 6.481 -9.994 287 HB3 ARG 37 1HB ARG 37 -5.826 7.846 -8.843 288 HG2 ARG 37 2HG ARG 37 -3.446 6.078 -9.499 289 HG3 ARG 37 1HG ARG 37 -3.691 7.718 -10.087 290 HD2 ARG 37 2HD ARG 37 -3.932 8.274 -7.708 291 HD3 ARG 37 1HD ARG 37 -3.156 6.880 -7.220 292 HE ARG 37 HE ARG 37 -1.838 8.545 -9.267 293 HH11 ARG 37 1HH1 ARG 37 -1.594 6.895 -6.154 294 HH12 ARG 37 2HH1 ARG 37 -0.026 7.429 -5.813 295 HH21 ARG 37 1HH2 ARG 37 0.394 9.271 -8.823 296 HH22 ARG 37 2HH2 ARG 37 1.149 8.812 -7.378 297 H VAL 38 H VAL 38 -4.532 4.893 -6.519 298 HA VAL 38 HA VAL 38 -5.382 6.652 -4.329 299 HB VAL 38 HB VAL 38 -5.170 4.722 -2.801 300 HG11 VAL 38 1HG1 VAL 38 -7.363 3.675 -3.354 301 HG12 VAL 38 2HG1 VAL 38 -7.277 4.414 -4.955 302 HG13 VAL 38 3HG1 VAL 38 -7.396 5.432 -3.521 303 HG21 VAL 38 1HG2 VAL 38 -3.799 3.239 -4.129 304 HG22 VAL 38 2HG2 VAL 38 -5.080 3.075 -5.327 305 HG23 VAL 38 3HG2 VAL 38 -5.301 2.416 -3.705 306 H VAL 39 H VAL 39 -3.758 6.554 -2.477 307 HA VAL 39 HA VAL 39 -1.141 5.704 -3.407 308 HB VAL 39 HB VAL 39 -1.140 8.188 -1.779 309 HG11 VAL 39 1HG1 VAL 39 0.859 6.948 -2.608 310 HG12 VAL 39 2HG1 VAL 39 0.841 8.669 -2.982 311 HG13 VAL 39 3HG1 VAL 39 0.451 7.489 -4.230 312 HG21 VAL 39 1HG2 VAL 39 -2.883 8.768 -3.433 313 HG22 VAL 39 2HG2 VAL 39 -1.776 8.334 -4.731 314 HG23 VAL 39 3HG2 VAL 39 -1.408 9.701 -3.680 315 H VAL 40 H VAL 40 -0.085 4.629 -1.893 316 HA VAL 40 HA VAL 40 -1.086 4.675 0.890 317 HB VAL 40 HB VAL 40 -0.747 2.243 1.023 318 HG11 VAL 40 1HG1 VAL 40 -2.515 2.949 -1.313 319 HG12 VAL 40 2HG1 VAL 40 -2.988 2.961 0.382 320 HG13 VAL 40 3HG1 VAL 40 -2.573 1.442 -0.407 321 HG21 VAL 40 1HG2 VAL 40 -0.105 2.337 -1.931 322 HG22 VAL 40 2HG2 VAL 40 -0.264 0.873 -0.960 323 HG23 VAL 40 3HG2 VAL 40 1.042 2.007 -0.634 324 H GLN 41 H GLN 41 0.502 4.531 2.434 325 HA GLN 41 HA GLN 41 3.255 4.579 1.392 326 HB2 GLN 41 2HB GLN 41 2.604 6.633 2.612 327 HB3 GLN 41 1HB GLN 41 2.234 5.659 4.025 328 HG2 GLN 41 2HG GLN 41 4.655 4.942 4.051 329 HG3 GLN 41 1HG GLN 41 4.938 6.094 2.759 330 HE21 GLN 41 1HE2 GLN 41 4.216 5.676 6.102 331 HE22 GLN 41 2HE2 GLN 41 4.524 7.325 6.545 332 H SER 42 H SER 42 4.492 3.050 1.830 333 HA SER 42 HA SER 42 3.578 0.891 3.580 334 HB2 SER 42 2HB SER 42 4.340 0.469 1.233 335 HB3 SER 42 1HB SER 42 5.920 1.059 1.703 336 HG SER 42 HG SER 42 4.637 -1.129 2.956 337 H ASP 43 H ASP 43 5.477 -0.224 4.722 338 HA ASP 43 HA ASP 43 6.370 1.484 6.756 339 HB2 ASP 43 2HB ASP 43 7.068 -1.374 6.102 340 HB3 ASP 43 1HB ASP 43 7.805 -0.537 7.459 341 H GLN 44 H GLN 44 7.631 0.830 3.770 342 HA GLN 44 HA GLN 44 10.395 1.456 4.270 343 HB2 GLN 44 2HB GLN 44 10.468 1.684 1.711 344 HB3 GLN 44 1HB GLN 44 10.035 0.110 2.367 345 HG2 GLN 44 2HG GLN 44 7.754 0.444 1.911 346 HG3 GLN 44 1HG GLN 44 7.999 2.129 1.452 347 HE21 GLN 44 1HE2 GLN 44 6.754 -0.050 0.010 348 HE22 GLN 44 2HE2 GLN 44 7.554 -0.270 -1.480 349 H GLY 45 H GLY 45 7.703 3.266 4.461 350 HA2 GLY 45 2HA GLY 45 7.362 5.510 4.778 351 HA3 GLY 45 1HA GLY 45 9.094 5.738 4.615 352 H ARG 46 H ARG 46 7.453 4.142 2.089 353 HA ARG 46 HA ARG 46 7.772 6.489 0.400 354 HB2 ARG 46 2HB ARG 46 9.231 4.696 -0.103 355 HB3 ARG 46 1HB ARG 46 7.936 3.536 0.032 356 HG2 ARG 46 2HG ARG 46 6.958 4.418 -2.027 357 HG3 ARG 46 1HG ARG 46 8.330 5.542 -2.161 358 HD2 ARG 46 2HD ARG 46 9.882 3.784 -2.188 359 HD3 ARG 46 1HD ARG 46 8.663 2.616 -1.760 360 HE ARG 46 HE ARG 46 8.393 3.967 -4.328 361 HH11 ARG 46 1HH1 ARG 46 9.282 1.027 -2.485 362 HH12 ARG 46 2HH1 ARG 46 8.793 -0.013 -3.746 363 HH21 ARG 46 1HH2 ARG 46 7.880 2.316 -6.134 364 HH22 ARG 46 2HH2 ARG 46 8.104 0.667 -5.679 365 H GLU 47 H GLU 47 5.850 7.397 -0.059 366 HA GLU 47 HA GLU 47 3.420 5.839 0.018 367 HB2 GLU 47 2HB GLU 47 3.752 8.345 0.790 368 HB3 GLU 47 1HB GLU 47 3.632 8.701 -0.929 369 HG2 GLU 47 2HG GLU 47 1.451 7.517 -0.953 370 HG3 GLU 47 1HG GLU 47 1.555 7.351 0.781 371 H PHE 48 H PHE 48 2.684 4.870 -1.756 372 HA PHE 48 HA PHE 48 3.515 5.859 -4.374 373 HB2 PHE 48 2HB PHE 48 4.137 3.603 -5.185 374 HB3 PHE 48 1HB PHE 48 5.192 4.167 -3.900 375 HD1 PHE 48 HD1 PHE 48 5.277 3.017 -1.786 376 HD2 PHE 48 HD2 PHE 48 2.565 1.757 -4.813 377 HE1 PHE 48 HE1 PHE 48 4.921 0.914 -0.588 378 HE2 PHE 48 HE2 PHE 48 2.194 -0.353 -3.606 379 HZ PHE 48 HZ PHE 48 3.370 -0.781 -1.493 380 H THR 49 H THR 49 2.402 4.531 -6.163 381 HA THR 49 HA THR 49 -0.392 4.648 -5.476 382 HB THR 49 HB THR 49 0.327 5.833 -7.505 383 HG1 THR 49 HG1 THR 49 -1.340 3.621 -8.141 384 HG21 THR 49 1HG2 THR 49 1.002 4.604 -9.540 385 HG22 THR 49 2HG2 THR 49 1.041 3.105 -8.611 386 HG23 THR 49 3HG2 THR 49 2.177 4.402 -8.240 387 H ALA 50 H ALA 50 -1.709 2.970 -5.411 388 HA ALA 50 HA ALA 50 -0.539 0.341 -5.919 389 HB1 ALA 50 1HB ALA 50 -2.038 -0.488 -4.160 390 HB2 ALA 50 2HB ALA 50 -2.612 1.155 -3.877 391 HB3 ALA 50 3HB ALA 50 -0.932 0.737 -3.541 392 H ARG 51 H ARG 51 -2.145 -1.250 -6.621 393 HA ARG 51 HA ARG 51 -4.354 0.022 -8.086 394 HB2 ARG 51 2HB ARG 51 -2.841 -2.523 -8.756 395 HB3 ARG 51 1HB ARG 51 -4.184 -1.859 -9.675 396 HG2 ARG 51 2HG ARG 51 -2.854 0.087 -10.268 397 HG3 ARG 51 1HG ARG 51 -1.520 -0.505 -9.277 398 HD2 ARG 51 2HD ARG 51 -1.421 -2.525 -10.713 399 HD3 ARG 51 1HD ARG 51 -2.661 -1.812 -11.740 400 HE ARG 51 HE ARG 51 -1.101 0.001 -12.182 401 HH11 ARG 51 1HH1 ARG 51 0.264 -3.052 -10.943 402 HH12 ARG 51 2HH1 ARG 51 1.771 -2.877 -11.679 403 HH21 ARG 51 1HH2 ARG 51 1.039 0.268 -13.226 404 HH22 ARG 51 2HH2 ARG 51 2.231 -0.927 -13.013 405 H GLY 52 H GLY 52 -6.359 -0.976 -7.844 406 HA2 GLY 52 2HA GLY 52 -6.951 -1.974 -5.336 407 HA3 GLY 52 1HA GLY 52 -8.015 -2.120 -6.718 408 H ASN 53 H ASN 53 -6.076 -3.877 -8.129 409 HA ASN 53 HA ASN 53 -6.966 -6.293 -6.824 410 HB2 ASN 53 2HB ASN 53 -5.519 -5.946 -9.439 411 HB3 ASN 53 1HB ASN 53 -6.156 -7.473 -8.825 412 HD21 ASN 53 1HD2 ASN 53 -8.323 -7.322 -8.153 413 HD22 ASN 53 2HD2 ASN 53 -9.507 -6.574 -9.207 414 H GLN 54 H GLN 54 -4.515 -4.472 -6.378 415 HA GLN 54 HA GLN 54 -2.613 -6.620 -5.775 416 HB2 GLN 54 2HB GLN 54 -2.207 -3.702 -6.363 417 HB3 GLN 54 1HB GLN 54 -0.913 -4.731 -5.824 418 HG2 GLN 54 2HG GLN 54 -1.332 -6.130 -7.900 419 HG3 GLN 54 1HG GLN 54 -2.477 -4.895 -8.403 420 HE21 GLN 54 1HE2 GLN 54 0.625 -4.293 -6.797 421 HE22 GLN 54 2HE2 GLN 54 1.374 -3.519 -8.111 422 H VAL 55 H VAL 55 -5.011 -5.109 -4.297 423 HA VAL 55 HA VAL 55 -3.475 -4.504 -1.853 424 HB VAL 55 HB VAL 55 -6.015 -3.055 -2.615 425 HG11 VAL 55 1HG1 VAL 55 -4.047 -2.500 -0.419 426 HG12 VAL 55 2HG1 VAL 55 -5.685 -3.127 -0.264 427 HG13 VAL 55 3HG1 VAL 55 -5.424 -1.482 -0.840 428 HG21 VAL 55 1HG2 VAL 55 -3.196 -2.006 -2.882 429 HG22 VAL 55 2HG2 VAL 55 -4.663 -1.046 -3.071 430 HG23 VAL 55 3HG2 VAL 55 -4.308 -2.349 -4.205 431 H ARG 56 H ARG 56 -4.131 -5.337 -0.115 432 HA ARG 56 HA ARG 56 -6.809 -6.361 0.104 433 HB2 ARG 56 2HB ARG 56 -4.215 -7.687 0.759 434 HB3 ARG 56 1HB ARG 56 -5.772 -8.235 1.342 435 HG2 ARG 56 2HG ARG 56 -5.419 -7.845 -1.534 436 HG3 ARG 56 1HG ARG 56 -4.605 -9.226 -0.872 437 HD2 ARG 56 2HD ARG 56 -7.575 -8.561 -0.884 438 HD3 ARG 56 1HD ARG 56 -6.747 -9.903 -1.689 439 HE ARG 56 HE ARG 56 -6.696 -9.832 1.257 440 HH11 ARG 56 1HH1 ARG 56 -8.138 -11.336 -1.611 441 HH12 ARG 56 2HH1 ARG 56 -8.711 -12.696 -0.729 442 HH21 ARG 56 1HH2 ARG 56 -7.406 -11.672 2.380 443 HH22 ARG 56 2HH2 ARG 56 -8.320 -12.849 1.718 444 H LEU 57 H LEU 57 -7.489 -5.778 2.056 445 HA LEU 57 HA LEU 57 -5.920 -4.168 3.853 446 HB2 LEU 57 2HB LEU 57 -7.844 -4.106 5.285 447 HB3 LEU 57 1HB LEU 57 -8.408 -3.954 3.638 448 HG LEU 57 HG LEU 57 -8.397 -6.533 5.105 449 HD11 LEU 57 1HD1 LEU 57 -10.635 -4.479 4.946 450 HD12 LEU 57 2HD1 LEU 57 -9.757 -4.951 6.401 451 HD13 LEU 57 3HD1 LEU 57 -10.826 -6.105 5.605 452 HD21 LEU 57 1HD2 LEU 57 -9.974 -5.588 2.700 453 HD22 LEU 57 2HD2 LEU 57 -10.248 -7.122 3.518 454 HD23 LEU 57 3HD2 LEU 57 -8.705 -6.818 2.729 455 H ILE 58 H ILE 58 -6.492 -5.151 6.364 456 HA ILE 58 HA ILE 58 -4.725 -7.366 6.525 457 HB ILE 58 HB ILE 58 -5.389 -7.547 8.906 458 HG12 ILE 58 2HG1 ILE 58 -6.853 -4.947 8.337 459 HG13 ILE 58 1HG1 ILE 58 -7.591 -6.469 8.816 460 HG21 ILE 58 1HG2 ILE 58 -4.254 -4.924 7.892 461 HG22 ILE 58 2HG2 ILE 58 -3.353 -6.403 8.230 462 HG23 ILE 58 3HG2 ILE 58 -4.081 -5.491 9.553 463 HD11 ILE 58 1HD1 ILE 58 -6.486 -6.308 10.995 464 HD12 ILE 58 2HD1 ILE 58 -7.498 -4.900 10.670 465 HD13 ILE 58 3HD1 ILE 58 -5.748 -4.785 10.501 466 H GLU 59 H GLU 59 -5.933 -8.414 5.015 467 HA GLU 59 HA GLU 59 -7.039 -10.849 5.815 468 HB2 GLU 59 2HB GLU 59 -9.179 -9.730 6.050 469 HB3 GLU 59 1HB GLU 59 -8.889 -8.742 4.636 470 HG2 GLU 59 2HG GLU 59 -10.641 -10.448 4.288 471 HG3 GLU 59 1HG GLU 59 -9.297 -10.611 3.171
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