NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
626676 | 5xrx | 36098 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLU 1 H GLU 1 1.808 0.001 0.855 2 HA GLU 1 HA GLU 1 2.227 -1.028 -1.548 3 HB2 GLU 1 2HB GLU 1 1.182 1.770 -2.022 4 HB3 GLU 1 3HB GLU 1 1.921 0.741 -3.240 5 HG2 GLU 1 2HG GLU 1 -0.405 -0.347 -1.767 6 HG3 GLU 1 3HG GLU 1 -0.705 0.939 -2.935 7 H PHE 2 H PHE 2 2.637 2.451 -0.921 8 HA PHE 2 HA PHE 2 4.481 3.720 -0.515 9 HB2 PHE 2 2HB PHE 2 4.800 2.091 1.364 10 HB3 PHE 2 3HB PHE 2 5.833 1.142 0.299 11 HD1 PHE 2 HD1 PHE 2 5.652 4.831 0.643 12 HD2 PHE 2 HD2 PHE 2 7.926 1.294 1.303 13 HE1 PHE 2 HE1 PHE 2 7.585 6.202 1.304 14 HE2 PHE 2 HE2 PHE 2 9.862 2.659 1.967 15 HZ PHE 2 HZ PHE 2 9.693 5.116 1.969 16 H LYS 3 H LYS 3 4.109 1.816 -2.988 17 HA LYS 3 HA LYS 3 6.774 2.362 -4.123 18 HB2 LYS 3 2HB LYS 3 6.556 0.400 -5.516 19 HB3 LYS 3 3HB LYS 3 6.324 -0.061 -3.835 20 HG2 LYS 3 2HG LYS 3 3.823 0.621 -5.130 21 HG3 LYS 3 3HG LYS 3 4.674 -0.686 -5.957 22 HD2 LYS 3 2HD LYS 3 4.744 -1.020 -3.083 23 HD3 LYS 3 3HD LYS 3 3.088 -0.900 -3.681 24 HE2 LYS 3 2HE LYS 3 5.120 -2.711 -4.952 25 HE3 LYS 3 3HE LYS 3 4.139 -3.225 -3.581 26 HZ1 LYS 3 1HZ LYS 3 3.368 -2.772 -6.348 27 HZ2 LYS 3 2HZ LYS 3 2.253 -2.275 -5.177 28 HZ3 LYS 3 3HZ LYS 3 2.768 -3.886 -5.225 29 H ARG 4 H ARG 4 3.548 3.152 -4.207 30 HA ARG 4 HA ARG 4 3.524 3.769 -7.068 31 HB2 ARG 4 2HB ARG 4 1.501 3.184 -5.068 32 HB3 ARG 4 3HB ARG 4 1.125 4.653 -5.958 33 HG2 ARG 4 2HG ARG 4 1.743 3.103 -8.021 34 HG3 ARG 4 3HG ARG 4 1.246 1.846 -6.887 35 HD2 ARG 4 2HD ARG 4 -0.894 2.965 -6.566 36 HD3 ARG 4 3HD ARG 4 -0.395 4.257 -7.657 37 HE ARG 4 HE ARG 4 -0.169 1.874 -9.060 38 HH11 ARG 4 1HH1 ARG 4 -2.673 3.766 -7.554 39 HH12 ARG 4 2HH1 ARG 4 -3.910 3.238 -8.646 40 HH21 ARG 4 1HH2 ARG 4 -1.789 1.171 -10.504 41 HH22 ARG 4 2HH2 ARG 4 -3.406 1.761 -10.323 42 H ILE 5 H ILE 5 5.086 5.461 -6.953 43 HA ILE 5 HA ILE 5 5.733 7.642 -6.884 44 HB ILE 5 HB ILE 5 2.922 8.457 -6.227 45 HG12 ILE 5 2HG1 ILE 5 2.622 6.799 -7.945 46 HG13 ILE 5 3HG1 ILE 5 2.463 8.385 -8.692 47 HG21 ILE 5 1HG2 ILE 5 5.303 9.664 -7.526 48 HG22 ILE 5 2HG2 ILE 5 3.709 10.163 -8.091 49 HG23 ILE 5 3HG2 ILE 5 4.148 10.371 -6.396 50 HD11 ILE 5 1HD1 ILE 5 4.896 6.617 -8.789 51 HD12 ILE 5 2HD1 ILE 5 3.743 6.888 -10.097 52 HD13 ILE 5 3HD1 ILE 5 4.754 8.214 -9.523 53 H VAL 6 H VAL 6 5.202 5.953 -4.348 54 HA VAL 6 HA VAL 6 5.230 8.173 -2.413 55 HB VAL 6 HB VAL 6 4.864 5.305 -1.621 56 HG11 VAL 6 1HG1 VAL 6 4.173 6.131 0.380 57 HG12 VAL 6 2HG1 VAL 6 5.206 7.474 -0.114 58 HG13 VAL 6 3HG1 VAL 6 3.459 7.575 -0.336 59 HG21 VAL 6 1HG2 VAL 6 3.107 5.339 -3.091 60 HG22 VAL 6 2HG2 VAL 6 2.331 6.030 -1.667 61 HG23 VAL 6 3HG2 VAL 6 2.890 7.084 -2.965 62 H GLN 7 H GLN 7 7.367 6.535 -4.107 63 HA GLN 7 HA GLN 7 9.119 5.310 -2.314 64 HB2 GLN 7 2HB GLN 7 10.746 5.402 -4.026 65 HB3 GLN 7 3HB GLN 7 9.200 5.271 -4.853 66 HG2 GLN 7 2HG GLN 7 9.382 7.906 -4.850 67 HG3 GLN 7 3HG GLN 7 11.102 7.542 -4.726 68 HE21 GLN 7 1HE2 GLN 7 9.640 8.778 -6.907 69 HE22 GLN 7 2HE2 GLN 7 9.908 7.786 -8.296 70 H ARG 8 H ARG 8 8.574 8.675 -3.032 71 HA ARG 8 HA ARG 8 10.970 9.573 -1.695 72 HB2 ARG 8 2HB ARG 8 8.687 11.403 -2.295 73 HB3 ARG 8 3HB ARG 8 10.417 11.700 -2.405 74 HG2 ARG 8 2HG ARG 8 10.476 10.189 -4.387 75 HG3 ARG 8 3HG ARG 8 8.714 10.120 -4.315 76 HD2 ARG 8 2HD ARG 8 9.066 12.780 -4.254 77 HD3 ARG 8 3HD ARG 8 10.502 12.315 -5.165 78 HE ARG 8 HE ARG 8 8.487 10.968 -6.393 79 HH11 ARG 8 1HH1 ARG 8 9.034 14.308 -5.577 80 HH12 ARG 8 2HH1 ARG 8 8.128 14.920 -6.921 81 HH21 ARG 8 1HH2 ARG 8 7.292 11.761 -8.166 82 HH22 ARG 8 2HH2 ARG 8 7.137 13.470 -8.393 83 H ILE 9 H ILE 9 8.059 8.396 -0.649 84 HA ILE 9 HA ILE 9 6.975 8.376 1.352 85 HB ILE 9 HB ILE 9 9.351 9.754 2.575 86 HG12 ILE 9 2HG1 ILE 9 9.737 7.003 2.849 87 HG13 ILE 9 3HG1 ILE 9 9.283 7.217 1.162 88 HG21 ILE 9 1HG2 ILE 9 6.994 8.384 3.536 89 HG22 ILE 9 2HG2 ILE 9 8.471 7.664 4.177 90 HG23 ILE 9 3HG2 ILE 9 8.153 9.383 4.413 91 HD11 ILE 9 1HD1 ILE 9 11.550 7.440 1.037 92 HD12 ILE 9 2HD1 ILE 9 11.074 9.124 1.251 93 HD13 ILE 9 3HD1 ILE 9 11.676 8.197 2.624 94 H LYS 10 H LYS 10 7.256 10.942 -0.399 95 HA LYS 10 HA LYS 10 7.020 13.231 1.116 96 HB2 LYS 10 2HB LYS 10 5.705 14.163 -0.745 97 HB3 LYS 10 3HB LYS 10 7.113 13.277 -1.316 98 HG2 LYS 10 2HG LYS 10 5.080 11.386 -1.252 99 HG3 LYS 10 3HG LYS 10 4.315 12.851 -1.872 100 HD2 LYS 10 2HD LYS 10 6.724 12.773 -3.213 101 HD3 LYS 10 3HD LYS 10 6.249 11.075 -3.132 102 HE2 LYS 10 2HE LYS 10 5.347 11.988 -5.144 103 HE3 LYS 10 3HE LYS 10 4.011 11.744 -4.020 104 HZ1 LYS 10 1HZ LYS 10 5.369 14.357 -4.230 105 HZ2 LYS 10 2HZ LYS 10 3.828 14.012 -3.624 106 HZ3 LYS 10 3HZ LYS 10 4.119 13.936 -5.289 107 H ASP 11 H ASP 11 4.632 10.732 0.521 108 HA ASP 11 HA ASP 11 2.803 12.125 2.366 109 HB2 ASP 11 2HB ASP 11 2.223 10.501 -0.099 110 HB3 ASP 11 3HB ASP 11 1.007 10.712 1.158 111 H PHE 12 H PHE 12 2.817 8.833 1.040 112 HA PHE 12 HA PHE 12 2.976 6.788 2.035 113 HB2 PHE 12 2HB PHE 12 4.894 8.067 3.299 114 HB3 PHE 12 3HB PHE 12 3.772 8.001 4.654 115 HD1 PHE 12 HD1 PHE 12 6.534 6.484 3.437 116 HD2 PHE 12 HD2 PHE 12 2.595 5.476 4.696 117 HE1 PHE 12 HE1 PHE 12 7.284 4.196 3.940 118 HE2 PHE 12 HE2 PHE 12 3.339 3.186 5.202 119 HZ PHE 12 HZ PHE 12 5.687 2.543 4.825 120 H LEU 13 H LEU 13 2.059 8.898 4.758 121 HA LEU 13 HA LEU 13 -0.259 7.182 5.240 122 HB2 LEU 13 2HB LEU 13 0.534 9.476 6.983 123 HB3 LEU 13 3HB LEU 13 -0.302 7.986 7.415 124 HG LEU 13 HG LEU 13 2.611 8.115 6.648 125 HD11 LEU 13 1HD1 LEU 13 1.583 7.784 9.442 126 HD12 LEU 13 2HD1 LEU 13 1.895 9.383 8.768 127 HD13 LEU 13 3HD1 LEU 13 3.205 8.209 8.893 128 HD21 LEU 13 1HD2 LEU 13 0.971 5.969 7.993 129 HD22 LEU 13 2HD2 LEU 13 2.697 5.892 7.638 130 HD23 LEU 13 3HD2 LEU 13 1.526 5.944 6.319 131 H ARG 14 H ARG 14 0.462 9.980 3.602 132 HA ARG 14 HA ARG 14 -2.156 11.204 4.094 133 HB2 ARG 14 2HB ARG 14 0.470 12.193 3.190 134 HB3 ARG 14 3HB ARG 14 -0.912 12.884 2.350 135 HG2 ARG 14 2HG ARG 14 -0.899 12.782 5.331 136 HG3 ARG 14 3HG ARG 14 0.028 14.025 4.488 137 HD2 ARG 14 2HD ARG 14 -1.951 14.828 3.385 138 HD3 ARG 14 3HD ARG 14 -2.903 13.492 4.032 139 HE ARG 14 HE ARG 14 -1.814 14.882 6.188 140 HH11 ARG 14 1HH1 ARG 14 -4.088 15.410 3.605 141 HH12 ARG 14 2HH1 ARG 14 -5.033 16.555 4.497 142 HH21 ARG 14 1HH2 ARG 14 -3.051 16.388 7.372 143 HH22 ARG 14 2HH2 ARG 14 -4.442 17.112 6.639 144 H ASN 15 H ASN 15 -1.123 8.820 2.260 145 HA ASN 15 HA ASN 15 -2.338 9.708 -0.250 146 HB2 ASN 15 2HB ASN 15 -0.463 7.534 0.526 147 HB3 ASN 15 3HB ASN 15 -1.547 7.214 -0.825 148 HD21 ASN 15 1HD2 ASN 15 0.460 7.088 -2.036 149 HD22 ASN 15 2HD2 ASN 15 1.166 8.544 -2.643 150 H LEU 16 H LEU 16 -3.284 8.287 2.579 151 HA LEU 16 HA LEU 16 -5.847 7.606 1.630 152 HB2 LEU 16 2HB LEU 16 -5.572 5.112 2.339 153 HB3 LEU 16 3HB LEU 16 -5.156 5.630 0.707 154 HG LEU 16 HG LEU 16 -2.859 5.784 2.445 155 HD11 LEU 16 1HD1 LEU 16 -4.425 3.837 3.375 156 HD12 LEU 16 2HD1 LEU 16 -2.667 3.704 3.321 157 HD13 LEU 16 3HD1 LEU 16 -3.647 2.959 2.058 158 HD21 LEU 16 1HD2 LEU 16 -3.350 5.435 -0.193 159 HD22 LEU 16 2HD2 LEU 16 -2.981 3.781 0.297 160 HD23 LEU 16 3HD2 LEU 16 -1.811 5.069 0.588 161 H VAL 17 H VAL 17 -3.536 6.480 4.106 162 HA VAL 17 HA VAL 17 -4.809 7.847 6.223 163 HB VAL 17 HB VAL 17 -6.546 6.109 5.813 164 HG11 VAL 17 1HG1 VAL 17 -4.356 4.414 5.556 165 HG12 VAL 17 2HG1 VAL 17 -5.120 3.936 7.073 166 HG13 VAL 17 3HG1 VAL 17 -6.057 3.951 5.579 167 HG21 VAL 17 1HG2 VAL 17 -7.030 5.921 8.032 168 HG22 VAL 17 2HG2 VAL 17 -5.391 5.433 8.463 169 HG23 VAL 17 3HG2 VAL 17 -5.748 7.128 8.132 Start of MODEL 2 1 H1 GLU 1 H GLU 1 1.319 1.206 -1.241 2 HA GLU 1 HA GLU 1 2.995 -1.192 -1.238 3 HB2 GLU 1 2HB GLU 1 2.656 0.754 -3.514 4 HB3 GLU 1 3HB GLU 1 3.211 -0.913 -3.585 5 HG2 GLU 1 2HG GLU 1 0.425 -0.067 -2.825 6 HG3 GLU 1 3HG GLU 1 0.916 -0.598 -4.433 7 H PHE 2 H PHE 2 3.193 2.305 -1.258 8 HA PHE 2 HA PHE 2 4.914 3.735 -0.849 9 HB2 PHE 2 2HB PHE 2 5.383 2.105 1.009 10 HB3 PHE 2 3HB PHE 2 6.519 1.297 -0.067 11 HD1 PHE 2 HD1 PHE 2 8.593 1.662 0.905 12 HD2 PHE 2 HD2 PHE 2 5.916 4.932 0.397 13 HE1 PHE 2 HE1 PHE 2 10.365 3.218 1.607 14 HE2 PHE 2 HE2 PHE 2 7.683 6.493 1.098 15 HZ PHE 2 HZ PHE 2 9.912 5.637 1.703 16 H LYS 3 H LYS 3 4.706 1.837 -3.340 17 HA LYS 3 HA LYS 3 7.312 2.620 -4.472 18 HB2 LYS 3 2HB LYS 3 7.050 0.668 -6.016 19 HB3 LYS 3 3HB LYS 3 7.266 0.227 -4.327 20 HG2 LYS 3 2HG LYS 3 5.457 -1.034 -4.493 21 HG3 LYS 3 3HG LYS 3 4.505 0.439 -4.691 22 HD2 LYS 3 2HD LYS 3 4.319 0.176 -6.944 23 HD3 LYS 3 3HD LYS 3 5.896 -0.603 -7.092 24 HE2 LYS 3 2HE LYS 3 4.581 -2.417 -7.469 25 HE3 LYS 3 3HE LYS 3 4.645 -2.500 -5.709 26 HZ1 LYS 3 1HZ LYS 3 2.535 -0.813 -6.656 27 HZ2 LYS 3 2HZ LYS 3 2.476 -2.100 -5.560 28 HZ3 LYS 3 3HZ LYS 3 2.385 -2.400 -7.222 29 H ARG 4 H ARG 4 4.031 3.140 -4.541 30 HA ARG 4 HA ARG 4 3.939 3.781 -7.394 31 HB2 ARG 4 2HB ARG 4 1.987 3.026 -5.385 32 HB3 ARG 4 3HB ARG 4 1.493 4.479 -6.244 33 HG2 ARG 4 2HG ARG 4 2.200 3.010 -8.342 34 HG3 ARG 4 3HG ARG 4 1.801 1.704 -7.224 35 HD2 ARG 4 2HD ARG 4 -0.393 2.826 -6.820 36 HD3 ARG 4 3HD ARG 4 0.016 3.969 -8.099 37 HE ARG 4 HE ARG 4 0.300 1.492 -9.236 38 HH11 ARG 4 1HH1 ARG 4 -2.264 3.230 -7.648 39 HH12 ARG 4 2HH1 ARG 4 -3.525 2.449 -8.544 40 HH21 ARG 4 1HH2 ARG 4 -1.350 0.457 -10.423 41 HH22 ARG 4 2HH2 ARG 4 -3.004 0.872 -10.122 42 H ILE 5 H ILE 5 5.390 5.579 -7.256 43 HA ILE 5 HA ILE 5 5.897 7.794 -7.141 44 HB ILE 5 HB ILE 5 3.009 8.410 -6.609 45 HG12 ILE 5 2HG1 ILE 5 3.242 8.419 -9.354 46 HG13 ILE 5 3HG1 ILE 5 4.141 6.975 -8.901 47 HG21 ILE 5 1HG2 ILE 5 5.354 9.785 -7.807 48 HG22 ILE 5 2HG2 ILE 5 3.752 10.175 -8.432 49 HG23 ILE 5 3HG2 ILE 5 4.111 10.405 -6.721 50 HD11 ILE 5 1HD1 ILE 5 2.230 5.886 -8.725 51 HD12 ILE 5 2HD1 ILE 5 1.755 6.958 -7.407 52 HD13 ILE 5 3HD1 ILE 5 1.328 7.361 -9.070 53 H VAL 6 H VAL 6 5.386 6.076 -4.624 54 HA VAL 6 HA VAL 6 5.162 8.290 -2.696 55 HB VAL 6 HB VAL 6 4.976 5.381 -1.966 56 HG11 VAL 6 1HG1 VAL 6 5.241 6.734 -0.067 57 HG12 VAL 6 2HG1 VAL 6 4.153 7.974 -0.693 58 HG13 VAL 6 3HG1 VAL 6 3.508 6.421 -0.159 59 HG21 VAL 6 1HG2 VAL 6 2.393 6.120 -1.990 60 HG22 VAL 6 2HG2 VAL 6 2.985 7.056 -3.363 61 HG23 VAL 6 3HG2 VAL 6 3.181 5.303 -3.340 62 H GLN 7 H GLN 7 7.491 6.828 -4.300 63 HA GLN 7 HA GLN 7 9.265 5.771 -2.414 64 HB2 GLN 7 2HB GLN 7 9.794 5.366 -4.664 65 HB3 GLN 7 3HB GLN 7 9.650 7.064 -5.098 66 HG2 GLN 7 2HG GLN 7 11.742 7.579 -4.361 67 HG3 GLN 7 3HG GLN 7 11.752 6.298 -3.151 68 HE21 GLN 7 1HE2 GLN 7 12.699 4.413 -3.622 69 HE22 GLN 7 2HE2 GLN 7 13.356 3.994 -5.164 70 H ARG 8 H ARG 8 8.311 9.012 -3.022 71 HA ARG 8 HA ARG 8 10.646 10.181 -1.759 72 HB2 ARG 8 2HB ARG 8 8.178 11.766 -2.297 73 HB3 ARG 8 3HB ARG 8 9.866 12.225 -2.474 74 HG2 ARG 8 2HG ARG 8 10.004 10.750 -4.464 75 HG3 ARG 8 3HG ARG 8 8.270 10.459 -4.314 76 HD2 ARG 8 2HD ARG 8 8.175 13.093 -4.303 77 HD3 ARG 8 3HD ARG 8 9.725 12.927 -5.127 78 HE ARG 8 HE ARG 8 7.915 11.237 -6.397 79 HH11 ARG 8 1HH1 ARG 8 8.378 14.646 -5.867 80 HH12 ARG 8 2HH1 ARG 8 7.599 15.114 -7.342 81 HH21 ARG 8 1HH2 ARG 8 6.888 11.840 -8.342 82 HH22 ARG 8 2HH2 ARG 8 6.751 13.517 -8.748 83 H ILE 9 H ILE 9 7.918 8.664 -0.678 84 HA ILE 9 HA ILE 9 6.871 8.509 1.336 85 HB ILE 9 HB ILE 9 9.056 10.174 2.551 86 HG12 ILE 9 2HG1 ILE 9 9.887 7.546 2.789 87 HG13 ILE 9 3HG1 ILE 9 9.307 7.631 1.129 88 HG21 ILE 9 1HG2 ILE 9 6.921 8.489 3.507 89 HG22 ILE 9 2HG2 ILE 9 8.484 7.929 4.100 90 HG23 ILE 9 3HG2 ILE 9 7.971 9.589 4.401 91 HD11 ILE 9 1HD1 ILE 9 11.736 8.648 2.279 92 HD12 ILE 9 2HD1 ILE 9 11.278 8.472 0.585 93 HD13 ILE 9 3HD1 ILE 9 10.833 9.929 1.473 94 H LYS 10 H LYS 10 6.792 11.081 -0.414 95 HA LYS 10 HA LYS 10 6.306 13.329 1.105 96 HB2 LYS 10 2HB LYS 10 4.800 14.053 -0.732 97 HB3 LYS 10 3HB LYS 10 6.342 13.432 -1.307 98 HG2 LYS 10 2HG LYS 10 4.982 12.354 -2.754 99 HG3 LYS 10 3HG LYS 10 4.939 11.178 -1.438 100 HD2 LYS 10 2HD LYS 10 2.720 11.385 -1.471 101 HD3 LYS 10 3HD LYS 10 2.944 13.002 -0.799 102 HE2 LYS 10 2HE LYS 10 3.023 13.936 -3.048 103 HE3 LYS 10 3HE LYS 10 2.851 12.323 -3.738 104 HZ1 LYS 10 1HZ LYS 10 0.851 13.905 -2.245 105 HZ2 LYS 10 2HZ LYS 10 0.698 12.229 -2.411 106 HZ3 LYS 10 3HZ LYS 10 0.717 13.216 -3.784 107 H ASP 11 H ASP 11 4.211 10.569 0.521 108 HA ASP 11 HA ASP 11 2.281 11.711 2.434 109 HB2 ASP 11 2HB ASP 11 1.857 10.190 -0.108 110 HB3 ASP 11 3HB ASP 11 0.682 10.027 1.194 111 H PHE 12 H PHE 12 2.638 8.470 1.033 112 HA PHE 12 HA PHE 12 3.053 6.437 1.979 113 HB2 PHE 12 2HB PHE 12 4.819 7.927 3.258 114 HB3 PHE 12 3HB PHE 12 3.742 7.650 4.623 115 HD1 PHE 12 HD1 PHE 12 6.653 6.568 3.268 116 HD2 PHE 12 HD2 PHE 12 2.925 4.998 4.593 117 HE1 PHE 12 HE1 PHE 12 7.714 4.382 3.653 118 HE2 PHE 12 HE2 PHE 12 3.981 2.810 4.981 119 HZ PHE 12 HZ PHE 12 6.379 2.500 4.511 120 H LEU 13 H LEU 13 1.949 8.366 4.766 121 HA LEU 13 HA LEU 13 -0.169 6.395 5.213 122 HB2 LEU 13 2HB LEU 13 0.445 8.663 7.061 123 HB3 LEU 13 3HB LEU 13 -0.241 7.082 7.429 124 HG LEU 13 HG LEU 13 2.636 7.581 6.668 125 HD11 LEU 13 1HD1 LEU 13 1.574 6.864 9.386 126 HD12 LEU 13 2HD1 LEU 13 1.867 8.530 8.887 127 HD13 LEU 13 3HD1 LEU 13 3.202 7.379 8.945 128 HD21 LEU 13 1HD2 LEU 13 1.348 5.295 6.292 129 HD22 LEU 13 2HD2 LEU 13 1.684 5.112 8.014 130 HD23 LEU 13 3HD2 LEU 13 3.012 5.344 6.875 131 H ARG 14 H ARG 14 0.235 9.302 3.681 132 HA ARG 14 HA ARG 14 -2.383 10.382 4.371 133 HB2 ARG 14 2HB ARG 14 0.058 11.401 3.078 134 HB3 ARG 14 3HB ARG 14 -1.443 11.982 2.370 135 HG2 ARG 14 2HG ARG 14 -2.159 12.880 4.475 136 HG3 ARG 14 3HG ARG 14 -0.774 12.159 5.298 137 HD2 ARG 14 2HD ARG 14 0.640 13.545 3.644 138 HD3 ARG 14 3HD ARG 14 -0.844 14.459 3.379 139 HE ARG 14 HE ARG 14 -0.505 14.363 6.108 140 HH11 ARG 14 1HH1 ARG 14 1.312 15.533 3.379 141 HH12 ARG 14 2HH1 ARG 14 2.082 16.803 4.270 142 HH21 ARG 14 1HH2 ARG 14 0.502 16.032 7.292 143 HH22 ARG 14 2HH2 ARG 14 1.621 17.086 6.496 144 H ASN 15 H ASN 15 -1.489 7.932 2.536 145 HA ASN 15 HA ASN 15 -3.250 8.607 0.277 146 HB2 ASN 15 2HB ASN 15 -0.945 6.706 0.571 147 HB3 ASN 15 3HB ASN 15 -2.158 6.435 -0.677 148 HD21 ASN 15 1HD2 ASN 15 0.785 7.570 -0.294 149 HD22 ASN 15 2HD2 ASN 15 0.816 8.839 -1.466 150 H LEU 16 H LEU 16 -3.570 7.330 3.180 151 HA LEU 16 HA LEU 16 -5.029 4.919 2.449 152 HB2 LEU 16 2HB LEU 16 -4.927 6.039 5.216 153 HB3 LEU 16 3HB LEU 16 -5.037 4.359 4.695 154 HG LEU 16 HG LEU 16 -2.567 6.080 4.470 155 HD11 LEU 16 1HD1 LEU 16 -2.729 5.748 6.743 156 HD12 LEU 16 2HD1 LEU 16 -1.810 4.328 6.243 157 HD13 LEU 16 3HD1 LEU 16 -3.538 4.190 6.568 158 HD21 LEU 16 1HD2 LEU 16 -1.589 3.682 4.222 159 HD22 LEU 16 2HD2 LEU 16 -2.317 4.479 2.827 160 HD23 LEU 16 3HD2 LEU 16 -3.228 3.263 3.723 161 H VAL 17 H VAL 17 -5.617 8.180 3.602 162 HA VAL 17 HA VAL 17 -8.517 7.668 3.465 163 HB VAL 17 HB VAL 17 -7.089 9.876 4.954 164 HG11 VAL 17 1HG1 VAL 17 -10.003 9.102 4.865 165 HG12 VAL 17 2HG1 VAL 17 -9.302 10.316 5.938 166 HG13 VAL 17 3HG1 VAL 17 -9.285 10.565 4.191 167 HG21 VAL 17 1HG2 VAL 17 -8.111 7.197 5.778 168 HG22 VAL 17 2HG2 VAL 17 -6.632 8.031 6.253 169 HG23 VAL 17 3HG2 VAL 17 -8.183 8.538 6.922 Start of MODEL 3 1 H1 GLU 1 H GLU 1 1.854 0.107 0.243 2 HA GLU 1 HA GLU 1 3.370 -1.638 -1.578 3 HB2 GLU 1 2HB GLU 1 1.868 0.917 -2.178 4 HB3 GLU 1 3HB GLU 1 2.740 -0.054 -3.356 5 HG2 GLU 1 2HG GLU 1 0.800 -1.603 -1.851 6 HG3 GLU 1 3HG GLU 1 0.071 -0.258 -2.727 7 H PHE 2 H PHE 2 3.199 1.890 -1.144 8 HA PHE 2 HA PHE 2 4.810 3.471 -0.863 9 HB2 PHE 2 2HB PHE 2 5.424 2.069 1.107 10 HB3 PHE 2 3HB PHE 2 6.559 1.194 0.085 11 HD1 PHE 2 HD1 PHE 2 8.623 1.719 1.027 12 HD2 PHE 2 HD2 PHE 2 5.866 4.837 0.136 13 HE1 PHE 2 HE1 PHE 2 10.358 3.391 1.524 14 HE2 PHE 2 HE2 PHE 2 7.597 6.513 0.631 15 HZ PHE 2 HZ PHE 2 9.847 5.792 1.325 16 H LYS 3 H LYS 3 4.729 1.388 -3.213 17 HA LYS 3 HA LYS 3 7.254 2.291 -4.435 18 HB2 LYS 3 2HB LYS 3 7.211 0.227 -5.794 19 HB3 LYS 3 3HB LYS 3 7.341 -0.105 -4.072 20 HG2 LYS 3 2HG LYS 3 5.765 -1.639 -4.632 21 HG3 LYS 3 3HG LYS 3 4.712 -0.271 -4.266 22 HD2 LYS 3 2HD LYS 3 3.840 -0.631 -6.298 23 HD3 LYS 3 3HD LYS 3 5.307 0.137 -6.909 24 HE2 LYS 3 2HE LYS 3 5.549 -1.770 -8.071 25 HE3 LYS 3 3HE LYS 3 6.159 -2.414 -6.548 26 HZ1 LYS 3 1HZ LYS 3 4.536 -3.916 -7.325 27 HZ2 LYS 3 2HZ LYS 3 3.427 -2.685 -7.663 28 HZ3 LYS 3 3HZ LYS 3 3.804 -3.067 -6.059 29 H ARG 4 H ARG 4 3.938 2.531 -4.496 30 HA ARG 4 HA ARG 4 3.774 2.960 -7.385 31 HB2 ARG 4 2HB ARG 4 1.905 2.187 -5.305 32 HB3 ARG 4 3HB ARG 4 1.285 3.529 -6.257 33 HG2 ARG 4 2HG ARG 4 2.101 1.981 -8.255 34 HG3 ARG 4 3HG ARG 4 1.820 0.728 -7.044 35 HD2 ARG 4 2HD ARG 4 -0.263 0.836 -7.970 36 HD3 ARG 4 3HD ARG 4 -0.437 2.056 -6.709 37 HE ARG 4 HE ARG 4 0.484 3.354 -8.983 38 HH11 ARG 4 1HH1 ARG 4 -2.329 1.571 -7.973 39 HH12 ARG 4 2HH1 ARG 4 -3.409 2.423 -9.026 40 HH21 ARG 4 1HH2 ARG 4 -0.927 4.484 -10.374 41 HH22 ARG 4 2HH2 ARG 4 -2.610 4.080 -10.392 42 H ILE 5 H ILE 5 5.067 4.879 -7.392 43 HA ILE 5 HA ILE 5 5.381 7.131 -7.445 44 HB ILE 5 HB ILE 5 2.461 7.540 -6.892 45 HG12 ILE 5 2HG1 ILE 5 2.469 5.747 -8.497 46 HG13 ILE 5 3HG1 ILE 5 2.087 7.237 -9.353 47 HG21 ILE 5 1HG2 ILE 5 4.659 9.015 -8.242 48 HG22 ILE 5 2HG2 ILE 5 3.017 9.227 -8.849 49 HG23 ILE 5 3HG2 ILE 5 3.391 9.606 -7.168 50 HD11 ILE 5 1HD1 ILE 5 3.622 5.865 -10.628 51 HD12 ILE 5 2HD1 ILE 5 4.397 7.371 -10.135 52 HD13 ILE 5 3HD1 ILE 5 4.766 5.870 -9.287 53 H VAL 6 H VAL 6 5.089 5.563 -4.811 54 HA VAL 6 HA VAL 6 4.650 7.858 -3.023 55 HB VAL 6 HB VAL 6 4.883 5.009 -2.096 56 HG11 VAL 6 1HG1 VAL 6 3.686 7.534 -0.984 57 HG12 VAL 6 2HG1 VAL 6 3.350 5.939 -0.307 58 HG13 VAL 6 3HG1 VAL 6 5.000 6.563 -0.322 59 HG21 VAL 6 1HG2 VAL 6 3.092 4.581 -3.408 60 HG22 VAL 6 2HG2 VAL 6 2.220 5.377 -2.097 61 HG23 VAL 6 3HG2 VAL 6 2.650 6.283 -3.548 62 H GLN 7 H GLN 7 7.108 6.510 -4.598 63 HA GLN 7 HA GLN 7 9.054 5.862 -2.717 64 HB2 GLN 7 2HB GLN 7 9.634 7.322 -5.288 65 HB3 GLN 7 3HB GLN 7 10.658 6.170 -4.442 66 HG2 GLN 7 2HG GLN 7 8.886 4.438 -4.914 67 HG3 GLN 7 3HG GLN 7 8.145 5.621 -5.990 68 HE21 GLN 7 1HE2 GLN 7 9.911 2.976 -6.062 69 HE22 GLN 7 2HE2 GLN 7 10.919 3.277 -7.433 70 H ARG 8 H ARG 8 7.841 8.964 -3.741 71 HA ARG 8 HA ARG 8 9.975 10.522 -2.671 72 HB2 ARG 8 2HB ARG 8 8.687 11.578 -4.338 73 HB3 ARG 8 3HB ARG 8 7.171 11.152 -3.555 74 HG2 ARG 8 2HG ARG 8 7.636 13.519 -3.318 75 HG3 ARG 8 3HG ARG 8 7.660 12.717 -1.746 76 HD2 ARG 8 2HD ARG 8 9.515 14.205 -1.806 77 HD3 ARG 8 3HD ARG 8 10.153 12.569 -1.965 78 HE ARG 8 HE ARG 8 9.682 13.827 -4.493 79 HH11 ARG 8 1HH1 ARG 8 11.929 13.535 -1.850 80 HH12 ARG 8 2HH1 ARG 8 13.311 13.951 -2.808 81 HH21 ARG 8 1HH2 ARG 8 11.494 14.377 -5.765 82 HH22 ARG 8 2HH2 ARG 8 13.063 14.431 -5.034 83 H ILE 9 H ILE 9 7.413 8.818 -1.260 84 HA ILE 9 HA ILE 9 6.633 8.641 0.870 85 HB ILE 9 HB ILE 9 8.931 10.351 1.783 86 HG12 ILE 9 2HG1 ILE 9 9.713 7.667 1.964 87 HG13 ILE 9 3HG1 ILE 9 9.042 7.838 0.346 88 HG21 ILE 9 1HG2 ILE 9 6.945 8.657 3.034 89 HG22 ILE 9 2HG2 ILE 9 8.585 8.180 3.471 90 HG23 ILE 9 3HG2 ILE 9 8.042 9.833 3.757 91 HD11 ILE 9 1HD1 ILE 9 11.403 9.195 1.563 92 HD12 ILE 9 2HD1 ILE 9 11.272 8.324 0.035 93 HD13 ILE 9 3HD1 ILE 9 10.553 9.926 0.201 94 H LYS 10 H LYS 10 6.335 11.231 -0.861 95 HA LYS 10 HA LYS 10 5.965 13.457 0.718 96 HB2 LYS 10 2HB LYS 10 4.268 14.168 -0.949 97 HB3 LYS 10 3HB LYS 10 5.751 13.575 -1.685 98 HG2 LYS 10 2HG LYS 10 4.258 12.490 -2.993 99 HG3 LYS 10 3HG LYS 10 4.382 11.301 -1.695 100 HD2 LYS 10 2HD LYS 10 2.167 11.460 -1.495 101 HD3 LYS 10 3HD LYS 10 2.434 13.066 -0.812 102 HE2 LYS 10 2HE LYS 10 2.579 13.583 -3.477 103 HE3 LYS 10 3HE LYS 10 1.400 12.273 -3.445 104 HZ1 LYS 10 1HZ LYS 10 0.866 14.895 -2.994 105 HZ2 LYS 10 2HZ LYS 10 0.930 14.258 -1.428 106 HZ3 LYS 10 3HZ LYS 10 -0.137 13.602 -2.566 107 H ASP 11 H ASP 11 3.902 10.643 0.370 108 HA ASP 11 HA ASP 11 2.132 11.757 2.447 109 HB2 ASP 11 2HB ASP 11 1.518 10.231 -0.042 110 HB3 ASP 11 3HB ASP 11 0.504 9.957 1.372 111 H PHE 12 H PHE 12 2.467 8.505 1.062 112 HA PHE 12 HA PHE 12 3.040 6.504 1.992 113 HB2 PHE 12 2HB PHE 12 4.882 8.046 3.056 114 HB3 PHE 12 3HB PHE 12 3.942 7.817 4.527 115 HD1 PHE 12 HD1 PHE 12 6.735 6.716 2.969 116 HD2 PHE 12 HD2 PHE 12 3.162 5.152 4.673 117 HE1 PHE 12 HE1 PHE 12 7.862 4.562 3.346 118 HE2 PHE 12 HE2 PHE 12 4.284 2.995 5.053 119 HZ PHE 12 HZ PHE 12 6.637 2.698 4.390 120 H LEU 13 H LEU 13 2.142 8.441 4.846 121 HA LEU 13 HA LEU 13 0.142 6.411 5.517 122 HB2 LEU 13 2HB LEU 13 0.862 8.716 7.278 123 HB3 LEU 13 3HB LEU 13 0.265 7.118 7.723 124 HG LEU 13 HG LEU 13 3.039 7.702 6.687 125 HD11 LEU 13 1HD1 LEU 13 2.410 8.617 8.984 126 HD12 LEU 13 2HD1 LEU 13 3.828 7.574 8.885 127 HD13 LEU 13 3HD1 LEU 13 2.302 6.931 9.491 128 HD21 LEU 13 1HD2 LEU 13 3.541 5.462 7.030 129 HD22 LEU 13 2HD2 LEU 13 1.927 5.400 6.321 130 HD23 LEU 13 3HD2 LEU 13 2.135 5.200 8.062 131 H ARG 14 H ARG 14 0.306 9.310 3.928 132 HA ARG 14 HA ARG 14 -2.416 10.091 4.727 133 HB2 ARG 14 2HB ARG 14 -0.095 11.637 3.625 134 HB3 ARG 14 3HB ARG 14 -1.734 12.233 3.402 135 HG2 ARG 14 2HG ARG 14 -1.724 11.682 6.063 136 HG3 ARG 14 3HG ARG 14 -0.055 12.188 5.796 137 HD2 ARG 14 2HD ARG 14 -2.493 13.746 4.947 138 HD3 ARG 14 3HD ARG 14 -1.555 14.058 6.407 139 HE ARG 14 HE ARG 14 0.174 14.100 4.202 140 HH11 ARG 14 1HH1 ARG 14 -2.451 15.936 5.567 141 HH12 ARG 14 2HH1 ARG 14 -1.909 17.445 4.911 142 HH21 ARG 14 1HH2 ARG 14 0.897 16.081 3.333 143 HH22 ARG 14 2HH2 ARG 14 -0.005 17.526 3.640 144 H ASN 15 H ASN 15 -1.081 8.171 2.566 145 HA ASN 15 HA ASN 15 -2.525 9.159 0.222 146 HB2 ASN 15 2HB ASN 15 -0.069 8.033 0.395 147 HB3 ASN 15 3HB ASN 15 -1.041 6.604 0.059 148 HD21 ASN 15 1HD2 ASN 15 0.953 7.913 -1.595 149 HD22 ASN 15 2HD2 ASN 15 0.155 8.344 -3.066 150 H LEU 16 H LEU 16 -3.402 7.566 2.841 151 HA LEU 16 HA LEU 16 -5.090 5.629 1.400 152 HB2 LEU 16 2HB LEU 16 -5.307 4.476 3.589 153 HB3 LEU 16 3HB LEU 16 -3.672 4.484 2.932 154 HG LEU 16 HG LEU 16 -3.920 6.727 4.652 155 HD11 LEU 16 1HD1 LEU 16 -4.873 4.148 5.887 156 HD12 LEU 16 2HD1 LEU 16 -5.812 5.627 5.694 157 HD13 LEU 16 3HD1 LEU 16 -4.419 5.603 6.775 158 HD21 LEU 16 1HD2 LEU 16 -2.502 4.169 5.312 159 HD22 LEU 16 2HD2 LEU 16 -2.020 5.830 5.659 160 HD23 LEU 16 3HD2 LEU 16 -1.942 5.215 4.007 161 H VAL 17 H VAL 17 -5.014 8.264 3.691 162 HA VAL 17 HA VAL 17 -7.843 8.080 4.281 163 HB VAL 17 HB VAL 17 -5.935 10.312 4.985 164 HG11 VAL 17 1HG1 VAL 17 -8.761 9.808 5.469 165 HG12 VAL 17 2HG1 VAL 17 -7.851 10.112 6.951 166 HG13 VAL 17 3HG1 VAL 17 -7.829 11.296 5.642 167 HG21 VAL 17 1HG2 VAL 17 -6.622 7.789 6.483 168 HG22 VAL 17 2HG2 VAL 17 -5.035 8.291 5.899 169 HG23 VAL 17 3HG2 VAL 17 -5.814 9.180 7.208 Start of MODEL 4 1 H1 GLU 1 H GLU 1 1.224 1.320 -0.195 2 HA GLU 1 HA GLU 1 2.921 -1.049 -0.209 3 HB2 GLU 1 2HB GLU 1 2.410 0.808 -2.526 4 HB3 GLU 1 3HB GLU 1 2.942 -0.867 -2.576 5 HG2 GLU 1 2HG GLU 1 0.731 -1.516 -1.619 6 HG3 GLU 1 3HG GLU 1 0.221 0.160 -1.816 7 H PHE 2 H PHE 2 3.156 2.440 -0.383 8 HA PHE 2 HA PHE 2 4.921 3.860 -0.178 9 HB2 PHE 2 2HB PHE 2 5.535 2.309 1.697 10 HB3 PHE 2 3HB PHE 2 6.548 1.422 0.562 11 HD1 PHE 2 HD1 PHE 2 6.077 5.090 0.888 12 HD2 PHE 2 HD2 PHE 2 8.708 1.775 1.337 13 HE1 PHE 2 HE1 PHE 2 7.937 6.633 1.349 14 HE2 PHE 2 HE2 PHE 2 10.572 3.312 1.801 15 HZ PHE 2 HZ PHE 2 10.188 5.745 1.808 16 H LYS 3 H LYS 3 4.481 1.865 -2.566 17 HA LYS 3 HA LYS 3 6.983 2.579 -3.951 18 HB2 LYS 3 2HB LYS 3 6.614 0.567 -5.370 19 HB3 LYS 3 3HB LYS 3 6.917 0.187 -3.680 20 HG2 LYS 3 2HG LYS 3 5.082 -1.048 -3.691 21 HG3 LYS 3 3HG LYS 3 4.140 0.428 -3.911 22 HD2 LYS 3 2HD LYS 3 3.535 -1.105 -5.647 23 HD3 LYS 3 3HD LYS 3 4.486 0.193 -6.373 24 HE2 LYS 3 2HE LYS 3 6.496 -1.302 -6.151 25 HE3 LYS 3 3HE LYS 3 5.392 -2.598 -5.692 26 HZ1 LYS 3 1HZ LYS 3 6.033 -1.642 -8.276 27 HZ2 LYS 3 2HZ LYS 3 4.370 -1.494 -8.010 28 HZ3 LYS 3 3HZ LYS 3 5.122 -2.999 -7.840 29 H ARG 4 H ARG 4 3.713 3.125 -3.755 30 HA ARG 4 HA ARG 4 3.382 3.654 -6.615 31 HB2 ARG 4 2HB ARG 4 1.600 2.976 -4.424 32 HB3 ARG 4 3HB ARG 4 1.032 4.388 -5.305 33 HG2 ARG 4 2HG ARG 4 1.574 2.837 -7.387 34 HG3 ARG 4 3HG ARG 4 1.288 1.574 -6.188 35 HD2 ARG 4 2HD ARG 4 -0.920 2.067 -5.995 36 HD3 ARG 4 3HD ARG 4 -0.671 3.788 -6.286 37 HE ARG 4 HE ARG 4 -0.140 2.541 -8.681 38 HH11 ARG 4 1HH1 ARG 4 -2.846 2.785 -6.505 39 HH12 ARG 4 2HH1 ARG 4 -4.034 2.622 -7.755 40 HH21 ARG 4 1HH2 ARG 4 -1.695 2.325 -10.337 41 HH22 ARG 4 2HH2 ARG 4 -3.378 2.360 -9.935 42 H ILE 5 H ILE 5 4.811 5.462 -6.685 43 HA ILE 5 HA ILE 5 5.292 7.685 -6.722 44 HB ILE 5 HB ILE 5 2.496 8.307 -5.829 45 HG12 ILE 5 2HG1 ILE 5 2.174 6.581 -7.475 46 HG13 ILE 5 3HG1 ILE 5 1.826 8.128 -8.239 47 HG21 ILE 5 1HG2 ILE 5 4.652 9.650 -7.365 48 HG22 ILE 5 2HG2 ILE 5 2.982 10.010 -7.797 49 HG23 ILE 5 3HG2 ILE 5 3.549 10.302 -6.153 50 HD11 ILE 5 1HD1 ILE 5 4.372 6.550 -8.519 51 HD12 ILE 5 2HD1 ILE 5 3.087 6.687 -9.720 52 HD13 ILE 5 3HD1 ILE 5 4.035 8.106 -9.276 53 H VAL 6 H VAL 6 5.129 6.037 -4.113 54 HA VAL 6 HA VAL 6 5.171 8.313 -2.242 55 HB VAL 6 HB VAL 6 5.041 5.443 -1.370 56 HG11 VAL 6 1HG1 VAL 6 3.804 6.554 0.542 57 HG12 VAL 6 2HG1 VAL 6 5.522 6.932 0.400 58 HG13 VAL 6 3HG1 VAL 6 4.313 8.094 -0.149 59 HG21 VAL 6 1HG2 VAL 6 3.126 5.336 -2.591 60 HG22 VAL 6 2HG2 VAL 6 2.477 6.127 -1.154 61 HG23 VAL 6 3HG2 VAL 6 2.887 7.084 -2.578 62 H GLN 7 H GLN 7 7.257 6.787 -4.080 63 HA GLN 7 HA GLN 7 9.232 5.716 -2.421 64 HB2 GLN 7 2HB GLN 7 9.824 7.241 -4.949 65 HB3 GLN 7 3HB GLN 7 10.702 5.876 -4.272 66 HG2 GLN 7 2HG GLN 7 8.627 4.500 -4.683 67 HG3 GLN 7 3HG GLN 7 8.019 5.866 -5.618 68 HE21 GLN 7 1HE2 GLN 7 8.441 3.318 -6.681 69 HE22 GLN 7 2HE2 GLN 7 9.707 3.415 -7.852 70 H ARG 8 H ARG 8 8.340 9.000 -3.061 71 HA ARG 8 HA ARG 8 10.802 10.087 -1.978 72 HB2 ARG 8 2HB ARG 8 8.394 11.785 -2.430 73 HB3 ARG 8 3HB ARG 8 10.090 12.140 -2.731 74 HG2 ARG 8 2HG ARG 8 10.017 10.583 -4.663 75 HG3 ARG 8 3HG ARG 8 8.281 10.405 -4.395 76 HD2 ARG 8 2HD ARG 8 7.820 12.396 -5.318 77 HD3 ARG 8 3HD ARG 8 9.180 13.183 -4.519 78 HE ARG 8 HE ARG 8 10.390 12.919 -6.434 79 HH11 ARG 8 1HH1 ARG 8 7.706 10.702 -6.494 80 HH12 ARG 8 2HH1 ARG 8 8.014 10.170 -8.114 81 HH21 ARG 8 1HH2 ARG 8 10.805 12.226 -8.567 82 HH22 ARG 8 2HH2 ARG 8 9.777 11.036 -9.292 83 H ILE 9 H ILE 9 8.094 8.736 -0.675 84 HA ILE 9 HA ILE 9 7.166 8.703 1.402 85 HB ILE 9 HB ILE 9 9.473 10.339 2.414 86 HG12 ILE 9 2HG1 ILE 9 10.231 7.695 2.714 87 HG13 ILE 9 3HG1 ILE 9 9.558 7.735 1.088 88 HG21 ILE 9 1HG2 ILE 9 7.348 8.762 3.562 89 HG22 ILE 9 2HG2 ILE 9 8.927 8.183 4.090 90 HG23 ILE 9 3HG2 ILE 9 8.476 9.869 4.345 91 HD11 ILE 9 1HD1 ILE 9 11.177 9.991 1.253 92 HD12 ILE 9 2HD1 ILE 9 12.084 8.704 2.050 93 HD13 ILE 9 3HD1 ILE 9 11.516 8.488 0.394 94 H LYS 10 H LYS 10 7.067 11.200 -0.453 95 HA LYS 10 HA LYS 10 6.752 13.528 0.985 96 HB2 LYS 10 2HB LYS 10 5.154 14.222 -0.784 97 HB3 LYS 10 3HB LYS 10 6.632 13.519 -1.427 98 HG2 LYS 10 2HG LYS 10 5.132 12.435 -2.731 99 HG3 LYS 10 3HG LYS 10 5.156 11.314 -1.367 100 HD2 LYS 10 2HD LYS 10 2.944 11.585 -1.259 101 HD3 LYS 10 3HD LYS 10 3.264 13.210 -0.649 102 HE2 LYS 10 2HE LYS 10 2.842 14.200 -2.677 103 HE3 LYS 10 3HE LYS 10 3.281 12.759 -3.593 104 HZ1 LYS 10 1HZ LYS 10 1.144 12.257 -3.721 105 HZ2 LYS 10 2HZ LYS 10 0.728 13.605 -2.788 106 HZ3 LYS 10 3HZ LYS 10 1.058 12.126 -2.036 107 H ASP 11 H ASP 11 4.552 10.810 0.694 108 HA ASP 11 HA ASP 11 2.776 12.117 2.651 109 HB2 ASP 11 2HB ASP 11 2.157 10.469 0.233 110 HB3 ASP 11 3HB ASP 11 1.068 10.393 1.615 111 H PHE 12 H PHE 12 2.957 8.788 1.435 112 HA PHE 12 HA PHE 12 3.382 6.805 2.478 113 HB2 PHE 12 2HB PHE 12 5.280 8.292 3.528 114 HB3 PHE 12 3HB PHE 12 4.286 8.183 4.977 115 HD1 PHE 12 HD1 PHE 12 3.372 5.599 5.278 116 HD2 PHE 12 HD2 PHE 12 7.035 6.833 3.495 117 HE1 PHE 12 HE1 PHE 12 4.356 3.403 5.788 118 HE2 PHE 12 HE2 PHE 12 8.025 4.638 4.001 119 HZ PHE 12 HZ PHE 12 6.685 2.919 5.148 120 H LEU 13 H LEU 13 2.519 8.933 5.204 121 HA LEU 13 HA LEU 13 0.382 7.059 5.908 122 HB2 LEU 13 2HB LEU 13 1.191 9.403 7.577 123 HB3 LEU 13 3HB LEU 13 0.482 7.870 8.080 124 HG LEU 13 HG LEU 13 3.313 8.214 7.097 125 HD11 LEU 13 1HD1 LEU 13 2.452 7.692 9.924 126 HD12 LEU 13 2HD1 LEU 13 2.705 9.324 9.307 127 HD13 LEU 13 3HD1 LEU 13 4.040 8.172 9.324 128 HD21 LEU 13 1HD2 LEU 13 3.651 5.977 7.554 129 HD22 LEU 13 2HD2 LEU 13 2.022 5.968 6.879 130 HD23 LEU 13 3HD2 LEU 13 2.254 5.875 8.626 131 H ARG 14 H ARG 14 0.768 9.861 4.188 132 HA ARG 14 HA ARG 14 -1.792 11.029 4.973 133 HB2 ARG 14 2HB ARG 14 0.623 12.110 4.050 134 HB3 ARG 14 3HB ARG 14 -0.511 12.317 2.722 135 HG2 ARG 14 2HG ARG 14 -2.034 13.519 4.146 136 HG3 ARG 14 3HG ARG 14 -1.015 13.208 5.553 137 HD2 ARG 14 2HD ARG 14 0.701 14.610 4.741 138 HD3 ARG 14 3HD ARG 14 -0.011 14.675 3.129 139 HE ARG 14 HE ARG 14 -1.781 15.741 5.077 140 HH11 ARG 14 1HH1 ARG 14 1.093 16.469 3.253 141 HH12 ARG 14 2HH1 ARG 14 0.844 18.183 3.295 142 HH21 ARG 14 1HH2 ARG 14 -2.121 17.996 5.139 143 HH22 ARG 14 2HH2 ARG 14 -0.985 19.050 4.369 144 H ASN 15 H ASN 15 -1.003 8.524 3.164 145 HA ASN 15 HA ASN 15 -2.617 9.182 0.822 146 HB2 ASN 15 2HB ASN 15 -0.368 7.817 0.869 147 HB3 ASN 15 3HB ASN 15 -1.428 6.474 1.289 148 HD21 ASN 15 1HD2 ASN 15 -0.981 5.413 -0.636 149 HD22 ASN 15 2HD2 ASN 15 -1.628 5.941 -2.148 150 H LEU 16 H LEU 16 -3.365 8.414 3.823 151 HA LEU 16 HA LEU 16 -5.266 7.617 4.798 152 HB2 LEU 16 2HB LEU 16 -6.275 6.726 2.122 153 HB3 LEU 16 3HB LEU 16 -7.193 7.238 3.536 154 HG LEU 16 HG LEU 16 -5.650 8.986 1.627 155 HD11 LEU 16 1HD1 LEU 16 -7.838 8.243 0.837 156 HD12 LEU 16 2HD1 LEU 16 -7.834 9.971 1.189 157 HD13 LEU 16 3HD1 LEU 16 -8.581 8.843 2.320 158 HD21 LEU 16 1HD2 LEU 16 -6.635 10.842 3.053 159 HD22 LEU 16 2HD2 LEU 16 -5.270 9.959 3.737 160 HD23 LEU 16 3HD2 LEU 16 -6.910 9.609 4.284 161 H VAL 17 H VAL 17 -4.847 5.443 2.002 162 HA VAL 17 HA VAL 17 -4.737 3.184 3.879 163 HB VAL 17 HB VAL 17 -5.229 3.114 0.899 164 HG11 VAL 17 1HG1 VAL 17 -5.176 1.032 3.049 165 HG12 VAL 17 2HG1 VAL 17 -6.171 0.811 1.608 166 HG13 VAL 17 3HG1 VAL 17 -4.424 1.010 1.455 167 HG21 VAL 17 1HG2 VAL 17 -7.526 2.315 2.279 168 HG22 VAL 17 2HG2 VAL 17 -6.980 3.787 3.083 169 HG23 VAL 17 3HG2 VAL 17 -7.298 3.796 1.348 Start of MODEL 5 1 H1 GLU 1 H GLU 1 1.132 1.422 -0.052 2 HA GLU 1 HA GLU 1 2.702 -1.060 -0.014 3 HB2 GLU 1 2HB GLU 1 2.270 0.735 -2.396 4 HB3 GLU 1 3HB GLU 1 2.798 -0.942 -2.383 5 HG2 GLU 1 2HG GLU 1 0.067 0.007 -1.551 6 HG3 GLU 1 3HG GLU 1 0.471 -0.657 -3.133 7 H PHE 2 H PHE 2 2.944 2.424 -0.281 8 HA PHE 2 HA PHE 2 4.702 3.850 -0.057 9 HB2 PHE 2 2HB PHE 2 5.248 2.357 1.884 10 HB3 PHE 2 3HB PHE 2 6.299 1.436 0.814 11 HD1 PHE 2 HD1 PHE 2 8.430 1.812 1.655 12 HD2 PHE 2 HD2 PHE 2 5.821 5.113 1.011 13 HE1 PHE 2 HE1 PHE 2 10.278 3.362 2.138 14 HE2 PHE 2 HE2 PHE 2 7.665 6.668 1.492 15 HZ PHE 2 HZ PHE 2 9.898 5.794 2.055 16 H LYS 3 H LYS 3 4.345 1.783 -2.397 17 HA LYS 3 HA LYS 3 6.895 2.456 -3.714 18 HB2 LYS 3 2HB LYS 3 6.564 0.401 -5.088 19 HB3 LYS 3 3HB LYS 3 6.825 0.075 -3.379 20 HG2 LYS 3 2HG LYS 3 5.015 -1.200 -3.452 21 HG3 LYS 3 3HG LYS 3 4.070 0.281 -3.623 22 HD2 LYS 3 2HD LYS 3 3.373 -0.556 -5.573 23 HD3 LYS 3 3HD LYS 3 4.991 -0.200 -6.183 24 HE2 LYS 3 2HE LYS 3 4.647 -2.743 -4.710 25 HE3 LYS 3 3HE LYS 3 3.881 -2.636 -6.295 26 HZ1 LYS 3 1HZ LYS 3 6.671 -1.778 -6.034 27 HZ2 LYS 3 2HZ LYS 3 5.878 -2.479 -7.354 28 HZ3 LYS 3 3HZ LYS 3 6.342 -3.437 -6.039 29 H ARG 4 H ARG 4 3.621 3.006 -3.650 30 HA ARG 4 HA ARG 4 3.391 3.448 -6.535 31 HB2 ARG 4 2HB ARG 4 1.532 2.837 -4.390 32 HB3 ARG 4 3HB ARG 4 0.998 4.222 -5.333 33 HG2 ARG 4 2HG ARG 4 1.617 2.602 -7.343 34 HG3 ARG 4 3HG ARG 4 1.275 1.382 -6.115 35 HD2 ARG 4 2HD ARG 4 -0.574 3.619 -6.938 36 HD3 ARG 4 3HD ARG 4 -0.713 1.936 -7.444 37 HE ARG 4 HE ARG 4 -0.736 1.796 -4.734 38 HH11 ARG 4 1HH1 ARG 4 -2.581 3.587 -7.080 39 HH12 ARG 4 2HH1 ARG 4 -4.015 3.637 -6.109 40 HH21 ARG 4 1HH2 ARG 4 -2.617 1.854 -3.445 41 HH22 ARG 4 2HH2 ARG 4 -4.034 2.652 -4.040 42 H ILE 5 H ILE 5 4.823 5.253 -6.610 43 HA ILE 5 HA ILE 5 5.307 7.475 -6.697 44 HB ILE 5 HB ILE 5 2.483 8.122 -5.921 45 HG12 ILE 5 2HG1 ILE 5 2.217 6.348 -7.524 46 HG13 ILE 5 3HG1 ILE 5 1.896 7.871 -8.346 47 HG21 ILE 5 1HG2 ILE 5 4.692 9.419 -7.423 48 HG22 ILE 5 2HG2 ILE 5 3.036 9.767 -7.920 49 HG23 ILE 5 3HG2 ILE 5 3.550 10.107 -6.268 50 HD11 ILE 5 1HD1 ILE 5 3.207 6.385 -9.738 51 HD12 ILE 5 2HD1 ILE 5 4.141 7.818 -9.306 52 HD13 ILE 5 3HD1 ILE 5 4.449 6.285 -8.490 53 H VAL 6 H VAL 6 5.052 5.906 -4.047 54 HA VAL 6 HA VAL 6 5.031 8.237 -2.245 55 HB VAL 6 HB VAL 6 4.870 5.396 -1.291 56 HG11 VAL 6 1HG1 VAL 6 3.568 6.562 0.541 57 HG12 VAL 6 2HG1 VAL 6 5.289 6.940 0.447 58 HG13 VAL 6 3HG1 VAL 6 4.099 8.082 -0.179 59 HG21 VAL 6 1HG2 VAL 6 2.741 7.021 -2.582 60 HG22 VAL 6 2HG2 VAL 6 3.011 5.278 -2.618 61 HG23 VAL 6 3HG2 VAL 6 2.308 6.032 -1.188 62 H GLN 7 H GLN 7 7.179 6.657 -3.963 63 HA GLN 7 HA GLN 7 9.095 5.637 -2.205 64 HB2 GLN 7 2HB GLN 7 9.775 7.086 -4.756 65 HB3 GLN 7 3HB GLN 7 10.628 5.742 -4.008 66 HG2 GLN 7 2HG GLN 7 8.567 4.353 -4.450 67 HG3 GLN 7 3HG GLN 7 7.993 5.690 -5.445 68 HE21 GLN 7 1HE2 GLN 7 8.049 4.619 -7.369 69 HE22 GLN 7 2HE2 GLN 7 9.510 4.097 -8.129 70 H ARG 8 H ARG 8 8.228 8.900 -2.974 71 HA ARG 8 HA ARG 8 10.651 10.020 -1.838 72 HB2 ARG 8 2HB ARG 8 8.265 11.704 -2.429 73 HB3 ARG 8 3HB ARG 8 9.971 12.048 -2.680 74 HG2 ARG 8 2HG ARG 8 9.961 10.431 -4.565 75 HG3 ARG 8 3HG ARG 8 8.217 10.265 -4.352 76 HD2 ARG 8 2HD ARG 8 8.289 12.892 -4.524 77 HD3 ARG 8 3HD ARG 8 9.803 12.571 -5.370 78 HE ARG 8 HE ARG 8 7.605 11.007 -6.345 79 HH11 ARG 8 1HH1 ARG 8 9.231 14.079 -6.555 80 HH12 ARG 8 2HH1 ARG 8 8.665 14.416 -8.158 81 HH21 ARG 8 1HH2 ARG 8 6.854 11.440 -8.455 82 HH22 ARG 8 2HH2 ARG 8 7.313 12.915 -9.237 83 H ILE 9 H ILE 9 7.898 8.709 -0.593 84 HA ILE 9 HA ILE 9 6.895 8.741 1.450 85 HB ILE 9 HB ILE 9 9.169 10.406 2.491 86 HG12 ILE 9 2HG1 ILE 9 9.903 7.768 2.902 87 HG13 ILE 9 3HG1 ILE 9 9.295 7.763 1.251 88 HG21 ILE 9 1HG2 ILE 9 7.001 8.867 3.613 89 HG22 ILE 9 2HG2 ILE 9 8.560 8.311 4.218 90 HG23 ILE 9 3HG2 ILE 9 8.098 10.003 4.398 91 HD11 ILE 9 1HD1 ILE 9 10.909 10.012 1.387 92 HD12 ILE 9 2HD1 ILE 9 11.779 8.776 2.296 93 HD13 ILE 9 3HD1 ILE 9 11.296 8.469 0.628 94 H LYS 10 H LYS 10 6.867 11.180 -0.483 95 HA LYS 10 HA LYS 10 6.504 13.551 0.869 96 HB2 LYS 10 2HB LYS 10 4.970 14.191 -0.976 97 HB3 LYS 10 3HB LYS 10 6.467 13.464 -1.545 98 HG2 LYS 10 2HG LYS 10 5.010 12.341 -2.864 99 HG3 LYS 10 3HG LYS 10 4.983 11.266 -1.465 100 HD2 LYS 10 2HD LYS 10 2.777 11.556 -1.389 101 HD3 LYS 10 3HD LYS 10 3.077 13.229 -0.913 102 HE2 LYS 10 2HE LYS 10 3.040 12.384 -3.795 103 HE3 LYS 10 3HE LYS 10 1.561 12.811 -2.936 104 HZ1 LYS 10 1HZ LYS 10 3.706 14.511 -3.881 105 HZ2 LYS 10 2HZ LYS 10 3.133 14.884 -2.334 106 HZ3 LYS 10 3HZ LYS 10 2.067 14.862 -3.648 107 H ASP 11 H ASP 11 4.310 10.826 0.586 108 HA ASP 11 HA ASP 11 2.470 12.194 2.438 109 HB2 ASP 11 2HB ASP 11 1.931 10.464 0.057 110 HB3 ASP 11 3HB ASP 11 0.792 10.448 1.401 111 H PHE 12 H PHE 12 2.685 8.829 1.333 112 HA PHE 12 HA PHE 12 3.071 6.878 2.450 113 HB2 PHE 12 2HB PHE 12 4.936 8.394 3.517 114 HB3 PHE 12 3HB PHE 12 3.894 8.331 4.935 115 HD1 PHE 12 HD1 PHE 12 6.690 6.937 3.598 116 HD2 PHE 12 HD2 PHE 12 2.960 5.754 5.273 117 HE1 PHE 12 HE1 PHE 12 7.658 4.758 4.205 118 HE2 PHE 12 HE2 PHE 12 3.922 3.574 5.883 119 HZ PHE 12 HZ PHE 12 6.274 3.073 5.350 120 H LEU 13 H LEU 13 2.122 9.090 5.079 121 HA LEU 13 HA LEU 13 -0.035 7.238 5.777 122 HB2 LEU 13 2HB LEU 13 0.704 9.654 7.376 123 HB3 LEU 13 3HB LEU 13 -0.016 8.139 7.917 124 HG LEU 13 HG LEU 13 2.847 8.457 7.018 125 HD11 LEU 13 1HD1 LEU 13 3.406 8.250 9.392 126 HD12 LEU 13 2HD1 LEU 13 1.690 8.278 9.797 127 HD13 LEU 13 3HD1 LEU 13 2.448 9.696 9.072 128 HD21 LEU 13 1HD2 LEU 13 3.183 6.243 7.670 129 HD22 LEU 13 2HD2 LEU 13 1.646 6.200 6.805 130 HD23 LEU 13 3HD2 LEU 13 1.666 6.178 8.569 131 H ARG 14 H ARG 14 0.396 9.971 3.959 132 HA ARG 14 HA ARG 14 -2.303 10.993 4.521 133 HB2 ARG 14 2HB ARG 14 0.157 12.236 3.342 134 HB3 ARG 14 3HB ARG 14 -1.426 12.906 2.974 135 HG2 ARG 14 2HG ARG 14 -1.841 13.392 5.266 136 HG3 ARG 14 3HG ARG 14 -0.409 12.494 5.773 137 HD2 ARG 14 2HD ARG 14 0.439 14.416 3.888 138 HD3 ARG 14 3HD ARG 14 -0.641 15.239 5.012 139 HE ARG 14 HE ARG 14 1.308 13.599 6.325 140 HH11 ARG 14 1HH1 ARG 14 0.723 16.713 4.883 141 HH12 ARG 14 2HH1 ARG 14 1.950 17.516 5.805 142 HH21 ARG 14 1HH2 ARG 14 2.927 14.645 7.545 143 HH22 ARG 14 2HH2 ARG 14 3.204 16.338 7.319 144 H ASN 15 H ASN 15 -1.037 8.740 2.662 145 HA ASN 15 HA ASN 15 -2.404 9.520 0.187 146 HB2 ASN 15 2HB ASN 15 0.009 8.632 0.219 147 HB3 ASN 15 3HB ASN 15 -0.706 7.058 0.556 148 HD21 ASN 15 1HD2 ASN 15 0.086 9.336 -1.815 149 HD22 ASN 15 2HD2 ASN 15 -0.640 8.543 -3.167 150 H LEU 16 H LEU 16 -3.027 7.880 2.990 151 HA LEU 16 HA LEU 16 -4.791 6.594 3.648 152 HB2 LEU 16 2HB LEU 16 -5.750 6.445 0.815 153 HB3 LEU 16 3HB LEU 16 -6.689 6.383 2.305 154 HG LEU 16 HG LEU 16 -5.419 8.808 1.042 155 HD11 LEU 16 1HD1 LEU 16 -8.305 8.289 1.704 156 HD12 LEU 16 2HD1 LEU 16 -7.594 7.909 0.136 157 HD13 LEU 16 3HD1 LEU 16 -7.627 9.577 0.707 158 HD21 LEU 16 1HD2 LEU 16 -5.114 9.293 3.271 159 HD22 LEU 16 2HD2 LEU 16 -6.514 8.349 3.781 160 HD23 LEU 16 3HD2 LEU 16 -6.743 9.916 3.002 161 H VAL 17 H VAL 17 -4.180 5.447 0.327 162 HA VAL 17 HA VAL 17 -3.779 2.749 1.414 163 HB VAL 17 HB VAL 17 -4.199 3.526 -1.472 164 HG11 VAL 17 1HG1 VAL 17 -3.818 0.981 -0.018 165 HG12 VAL 17 2HG1 VAL 17 -5.043 0.992 -1.288 166 HG13 VAL 17 3HG1 VAL 17 -3.375 1.425 -1.666 167 HG21 VAL 17 1HG2 VAL 17 -6.520 2.567 -1.047 168 HG22 VAL 17 2HG2 VAL 17 -6.169 2.773 0.670 169 HG23 VAL 17 3HG2 VAL 17 -6.190 4.175 -0.400 Start of MODEL 6 1 H1 GLU 1 H GLU 1 2.011 0.361 1.097 2 HA GLU 1 HA GLU 1 2.561 -1.024 -1.239 3 HB2 GLU 1 2HB GLU 1 1.358 1.696 -1.781 4 HB3 GLU 1 3HB GLU 1 2.152 0.679 -2.974 5 HG2 GLU 1 2HG GLU 1 0.047 -0.742 -1.595 6 HG3 GLU 1 3HG GLU 1 -0.546 0.730 -2.362 7 H PHE 2 H PHE 2 2.771 2.487 -0.702 8 HA PHE 2 HA PHE 2 4.540 3.870 -0.333 9 HB2 PHE 2 2HB PHE 2 4.950 2.306 1.586 10 HB3 PHE 2 3HB PHE 2 6.043 1.399 0.545 11 HD1 PHE 2 HD1 PHE 2 5.623 5.076 0.825 12 HD2 PHE 2 HD2 PHE 2 8.127 1.706 1.523 13 HE1 PHE 2 HE1 PHE 2 7.465 6.580 1.456 14 HE2 PHE 2 HE2 PHE 2 9.973 3.205 2.156 15 HZ PHE 2 HZ PHE 2 9.643 5.645 2.124 16 H LYS 3 H LYS 3 4.277 1.883 -2.754 17 HA LYS 3 HA LYS 3 6.907 2.550 -3.908 18 HB2 LYS 3 2HB LYS 3 6.798 0.542 -5.250 19 HB3 LYS 3 3HB LYS 3 6.601 0.115 -3.556 20 HG2 LYS 3 2HG LYS 3 4.059 0.614 -4.854 21 HG3 LYS 3 3HG LYS 3 4.982 -0.663 -5.651 22 HD2 LYS 3 2HD LYS 3 5.089 -0.919 -2.772 23 HD3 LYS 3 3HD LYS 3 3.423 -0.903 -3.355 24 HE2 LYS 3 2HE LYS 3 5.470 -2.607 -4.714 25 HE3 LYS 3 3HE LYS 3 4.732 -3.152 -3.208 26 HZ1 LYS 3 1HZ LYS 3 3.041 -2.232 -5.439 27 HZ2 LYS 3 2HZ LYS 3 2.657 -3.290 -4.176 28 HZ3 LYS 3 3HZ LYS 3 3.659 -3.807 -5.438 29 H ARG 4 H ARG 4 3.638 3.145 -4.010 30 HA ARG 4 HA ARG 4 3.575 3.680 -6.886 31 HB2 ARG 4 2HB ARG 4 1.594 3.040 -4.864 32 HB3 ARG 4 3HB ARG 4 1.135 4.466 -5.785 33 HG2 ARG 4 2HG ARG 4 1.824 2.907 -7.817 34 HG3 ARG 4 3HG ARG 4 1.406 1.649 -6.653 35 HD2 ARG 4 2HD ARG 4 -0.383 3.957 -7.406 36 HD3 ARG 4 3HD ARG 4 -0.490 2.340 -8.100 37 HE ARG 4 HE ARG 4 -0.644 2.359 -5.235 38 HH11 ARG 4 1HH1 ARG 4 -2.450 2.716 -8.189 39 HH12 ARG 4 2HH1 ARG 4 -3.962 2.265 -7.473 40 HH21 ARG 4 1HH2 ARG 4 -2.628 1.764 -4.280 41 HH22 ARG 4 2HH2 ARG 4 -4.062 1.724 -5.249 42 H ILE 5 H ILE 5 5.050 5.456 -6.818 43 HA ILE 5 HA ILE 5 5.579 7.669 -6.813 44 HB ILE 5 HB ILE 5 2.725 8.352 -6.192 45 HG12 ILE 5 2HG1 ILE 5 2.524 6.628 -7.858 46 HG13 ILE 5 3HG1 ILE 5 2.284 8.179 -8.654 47 HG21 ILE 5 1HG2 ILE 5 5.045 9.644 -7.519 48 HG22 ILE 5 2HG2 ILE 5 3.430 10.039 -8.105 49 HG23 ILE 5 3HG2 ILE 5 3.849 10.323 -6.416 50 HD11 ILE 5 1HD1 ILE 5 4.810 6.545 -8.688 51 HD12 ILE 5 2HD1 ILE 5 3.650 6.708 -10.007 52 HD13 ILE 5 3HD1 ILE 5 4.583 8.107 -9.475 53 H VAL 6 H VAL 6 5.133 6.033 -4.229 54 HA VAL 6 HA VAL 6 5.041 8.313 -2.365 55 HB VAL 6 HB VAL 6 4.788 5.456 -1.490 56 HG11 VAL 6 1HG1 VAL 6 3.279 7.678 -0.257 57 HG12 VAL 6 2HG1 VAL 6 4.101 6.308 0.493 58 HG13 VAL 6 3HG1 VAL 6 5.030 7.703 -0.056 59 HG21 VAL 6 1HG2 VAL 6 3.039 5.394 -2.975 60 HG22 VAL 6 2HG2 VAL 6 2.233 6.065 -1.557 61 HG23 VAL 6 3HG2 VAL 6 2.743 7.130 -2.867 62 H GLN 7 H GLN 7 7.264 6.748 -3.996 63 HA GLN 7 HA GLN 7 9.055 5.644 -2.160 64 HB2 GLN 7 2HB GLN 7 10.804 6.247 -3.901 65 HB3 GLN 7 3HB GLN 7 9.468 5.245 -4.452 66 HG2 GLN 7 2HG GLN 7 8.951 8.086 -4.772 67 HG3 GLN 7 3HG GLN 7 10.379 7.541 -5.650 68 HE21 GLN 7 1HE2 GLN 7 9.161 8.059 -7.561 69 HE22 GLN 7 2HE2 GLN 7 8.016 6.925 -8.183 70 H ARG 8 H ARG 8 8.308 8.949 -2.904 71 HA ARG 8 HA ARG 8 10.666 9.994 -1.588 72 HB2 ARG 8 2HB ARG 8 8.324 11.719 -2.248 73 HB3 ARG 8 3HB ARG 8 10.043 12.065 -2.379 74 HG2 ARG 8 2HG ARG 8 10.143 10.510 -4.319 75 HG3 ARG 8 3HG ARG 8 8.386 10.364 -4.227 76 HD2 ARG 8 2HD ARG 8 8.282 12.140 -5.567 77 HD3 ARG 8 3HD ARG 8 8.841 13.096 -4.196 78 HE ARG 8 HE ARG 8 10.864 13.330 -5.236 79 HH11 ARG 8 1HH1 ARG 8 9.121 10.708 -6.722 80 HH12 ARG 8 2HH1 ARG 8 10.270 10.498 -8.003 81 HH21 ARG 8 1HH2 ARG 8 12.383 13.063 -6.917 82 HH22 ARG 8 2HH2 ARG 8 12.125 11.838 -8.112 83 H ILE 9 H ILE 9 7.822 8.690 -0.538 84 HA ILE 9 HA ILE 9 6.718 8.663 1.451 85 HB ILE 9 HB ILE 9 8.956 10.247 2.676 86 HG12 ILE 9 2HG1 ILE 9 9.642 7.588 3.013 87 HG13 ILE 9 3HG1 ILE 9 9.115 7.654 1.334 88 HG21 ILE 9 1HG2 ILE 9 6.712 8.701 3.617 89 HG22 ILE 9 2HG2 ILE 9 8.227 8.082 4.271 90 HG23 ILE 9 3HG2 ILE 9 7.791 9.774 4.509 91 HD11 ILE 9 1HD1 ILE 9 10.757 9.883 1.693 92 HD12 ILE 9 2HD1 ILE 9 11.568 8.546 2.510 93 HD13 ILE 9 3HD1 ILE 9 11.125 8.402 0.809 94 H LYS 10 H LYS 10 6.836 11.174 -0.387 95 HA LYS 10 HA LYS 10 6.442 13.499 1.034 96 HB2 LYS 10 2HB LYS 10 5.019 14.236 -0.862 97 HB3 LYS 10 3HB LYS 10 6.533 13.505 -1.379 98 HG2 LYS 10 2HG LYS 10 5.134 12.458 -2.816 99 HG3 LYS 10 3HG LYS 10 5.011 11.332 -1.462 100 HD2 LYS 10 2HD LYS 10 2.808 11.658 -1.514 101 HD3 LYS 10 3HD LYS 10 3.109 13.296 -0.930 102 HE2 LYS 10 2HE LYS 10 3.602 13.561 -3.596 103 HE3 LYS 10 3HE LYS 10 2.321 12.351 -3.594 104 HZ1 LYS 10 1HZ LYS 10 1.126 13.951 -2.033 105 HZ2 LYS 10 2HZ LYS 10 1.207 14.373 -3.669 106 HZ3 LYS 10 3HZ LYS 10 2.240 15.114 -2.553 107 H ASP 11 H ASP 11 4.222 10.827 0.536 108 HA ASP 11 HA ASP 11 2.307 12.163 2.335 109 HB2 ASP 11 2HB ASP 11 1.867 10.518 -0.127 110 HB3 ASP 11 3HB ASP 11 0.656 10.491 1.151 111 H PHE 12 H PHE 12 2.535 8.834 1.124 112 HA PHE 12 HA PHE 12 2.831 6.840 2.191 113 HB2 PHE 12 2HB PHE 12 4.653 8.287 3.413 114 HB3 PHE 12 3HB PHE 12 3.531 8.197 4.767 115 HD1 PHE 12 HD1 PHE 12 6.365 6.781 3.499 116 HD2 PHE 12 HD2 PHE 12 2.552 5.644 5.013 117 HE1 PHE 12 HE1 PHE 12 7.262 4.566 4.087 118 HE2 PHE 12 HE2 PHE 12 3.444 3.429 5.605 119 HZ PHE 12 HZ PHE 12 5.801 2.887 5.143 120 H LEU 13 H LEU 13 1.762 8.974 4.839 121 HA LEU 13 HA LEU 13 -0.462 7.135 5.337 122 HB2 LEU 13 2HB LEU 13 0.233 9.459 7.085 123 HB3 LEU 13 3HB LEU 13 -0.544 7.937 7.514 124 HG LEU 13 HG LEU 13 2.369 8.233 6.788 125 HD11 LEU 13 1HD1 LEU 13 1.195 7.783 9.521 126 HD12 LEU 13 2HD1 LEU 13 1.663 9.372 8.917 127 HD13 LEU 13 3HD1 LEU 13 2.877 8.106 9.098 128 HD21 LEU 13 1HD2 LEU 13 1.045 5.916 8.162 129 HD22 LEU 13 2HD2 LEU 13 2.624 5.983 7.379 130 HD23 LEU 13 3HD2 LEU 13 1.154 6.014 6.404 131 H ARG 14 H ARG 14 0.125 9.933 3.671 132 HA ARG 14 HA ARG 14 -2.440 11.189 4.249 133 HB2 ARG 14 2HB ARG 14 0.062 11.990 2.898 134 HB3 ARG 14 3HB ARG 14 -1.416 12.645 2.205 135 HG2 ARG 14 2HG ARG 14 -1.813 13.989 3.972 136 HG3 ARG 14 3HG ARG 14 -1.164 12.833 5.136 137 HD2 ARG 14 2HD ARG 14 1.027 13.518 4.786 138 HD3 ARG 14 3HD ARG 14 0.655 14.232 3.217 139 HE ARG 14 HE ARG 14 -0.782 15.718 4.995 140 HH11 ARG 14 1HH1 ARG 14 2.573 14.852 4.666 141 HH12 ARG 14 2HH1 ARG 14 3.156 16.310 5.398 142 HH21 ARG 14 1HH2 ARG 14 -0.027 17.642 5.960 143 HH22 ARG 14 2HH2 ARG 14 1.676 17.896 6.134 144 H ASN 15 H ASN 15 -1.660 8.593 2.571 145 HA ASN 15 HA ASN 15 -3.517 9.200 0.364 146 HB2 ASN 15 2HB ASN 15 -0.870 8.017 0.333 147 HB3 ASN 15 3HB ASN 15 -2.060 6.928 -0.375 148 HD21 ASN 15 1HD2 ASN 15 -1.507 7.110 -2.473 149 HD22 ASN 15 2HD2 ASN 15 -1.598 8.578 -3.379 150 H LEU 16 H LEU 16 -3.467 7.799 3.235 151 HA LEU 16 HA LEU 16 -4.854 6.310 4.263 152 HB2 LEU 16 2HB LEU 16 -6.028 5.561 1.611 153 HB3 LEU 16 3HB LEU 16 -6.786 5.541 3.202 154 HG LEU 16 HG LEU 16 -6.175 7.950 1.497 155 HD11 LEU 16 1HD1 LEU 16 -8.314 7.900 0.881 156 HD12 LEU 16 2HD1 LEU 16 -8.866 7.586 2.526 157 HD13 LEU 16 3HD1 LEU 16 -8.344 6.249 1.502 158 HD21 LEU 16 1HD2 LEU 16 -7.389 9.158 3.381 159 HD22 LEU 16 2HD2 LEU 16 -5.719 8.679 3.683 160 HD23 LEU 16 3HD2 LEU 16 -7.044 7.736 4.365 161 H VAL 17 H VAL 17 -4.339 4.823 1.062 162 HA VAL 17 HA VAL 17 -3.537 2.772 0.464 163 HB VAL 17 HB VAL 17 -1.628 3.341 2.735 164 HG11 VAL 17 1HG1 VAL 17 -1.739 1.197 0.673 165 HG12 VAL 17 2HG1 VAL 17 -0.163 1.833 1.151 166 HG13 VAL 17 3HG1 VAL 17 -1.230 1.116 2.360 167 HG21 VAL 17 1HG2 VAL 17 -0.617 3.644 0.038 168 HG22 VAL 17 2HG2 VAL 17 -1.985 4.712 0.351 169 HG23 VAL 17 3HG2 VAL 17 -0.564 4.770 1.394 Start of MODEL 7 1 H1 GLU 1 H GLU 1 1.867 1.001 -0.662 2 HA GLU 1 HA GLU 1 3.143 -1.593 -1.214 3 HB2 GLU 1 2HB GLU 1 2.807 0.660 -3.187 4 HB3 GLU 1 3HB GLU 1 3.177 -1.026 -3.519 5 HG2 GLU 1 2HG GLU 1 0.573 -0.032 -2.387 6 HG3 GLU 1 3HG GLU 1 0.863 -0.397 -4.087 7 H PHE 2 H PHE 2 3.699 1.843 -0.823 8 HA PHE 2 HA PHE 2 5.589 3.043 -0.418 9 HB2 PHE 2 2HB PHE 2 6.088 1.259 1.214 10 HB3 PHE 2 3HB PHE 2 6.889 0.336 -0.053 11 HD1 PHE 2 HD1 PHE 2 9.057 0.228 0.858 12 HD2 PHE 2 HD2 PHE 2 7.117 3.990 0.419 13 HE1 PHE 2 HE1 PHE 2 11.175 1.375 1.362 14 HE2 PHE 2 HE2 PHE 2 9.231 5.143 0.922 15 HZ PHE 2 HZ PHE 2 11.264 3.836 1.394 16 H LYS 3 H LYS 3 4.990 1.445 -3.080 17 HA LYS 3 HA LYS 3 7.527 2.204 -4.374 18 HB2 LYS 3 2HB LYS 3 7.068 0.425 -6.047 19 HB3 LYS 3 3HB LYS 3 7.328 -0.202 -4.424 20 HG2 LYS 3 2HG LYS 3 5.455 -1.357 -4.702 21 HG3 LYS 3 3HG LYS 3 4.593 0.176 -4.552 22 HD2 LYS 3 2HD LYS 3 4.185 0.320 -6.782 23 HD3 LYS 3 3HD LYS 3 5.698 -0.477 -7.220 24 HE2 LYS 3 2HE LYS 3 4.150 -2.075 -7.814 25 HE3 LYS 3 3HE LYS 3 4.561 -2.580 -6.176 26 HZ1 LYS 3 1HZ LYS 3 2.100 -1.331 -7.171 27 HZ2 LYS 3 2HZ LYS 3 2.564 -1.045 -5.570 28 HZ3 LYS 3 3HZ LYS 3 2.291 -2.627 -6.102 29 H ARG 4 H ARG 4 4.258 2.823 -4.103 30 HA ARG 4 HA ARG 4 3.983 3.799 -6.849 31 HB2 ARG 4 2HB ARG 4 2.152 2.841 -4.808 32 HB3 ARG 4 3HB ARG 4 1.635 4.389 -5.464 33 HG2 ARG 4 2HG ARG 4 2.165 3.164 -7.756 34 HG3 ARG 4 3HG ARG 4 1.828 1.739 -6.771 35 HD2 ARG 4 2HD ARG 4 -0.368 2.209 -6.620 36 HD3 ARG 4 3HD ARG 4 -0.087 3.942 -6.455 37 HE ARG 4 HE ARG 4 -0.660 2.507 -8.870 38 HH11 ARG 4 1HH1 ARG 4 0.878 5.331 -7.537 39 HH12 ARG 4 2HH1 ARG 4 0.748 6.252 -8.998 40 HH21 ARG 4 1HH2 ARG 4 -0.837 3.709 -10.800 41 HH22 ARG 4 2HH2 ARG 4 -0.229 5.329 -10.854 42 H ILE 5 H ILE 5 5.458 5.555 -6.626 43 HA ILE 5 HA ILE 5 6.018 7.734 -6.288 44 HB ILE 5 HB ILE 5 3.204 8.308 -5.422 45 HG12 ILE 5 2HG1 ILE 5 2.908 6.864 -7.323 46 HG13 ILE 5 3HG1 ILE 5 2.638 8.520 -7.856 47 HG21 ILE 5 1HG2 ILE 5 5.458 9.796 -6.658 48 HG22 ILE 5 2HG2 ILE 5 3.815 10.276 -7.077 49 HG23 ILE 5 3HG2 ILE 5 4.334 10.290 -5.392 50 HD11 ILE 5 1HD1 ILE 5 5.148 6.914 -8.270 51 HD12 ILE 5 2HD1 ILE 5 3.924 7.278 -9.487 52 HD13 ILE 5 3HD1 ILE 5 4.892 8.578 -8.793 53 H VAL 6 H VAL 6 5.730 5.726 -3.972 54 HA VAL 6 HA VAL 6 5.530 7.605 -1.732 55 HB VAL 6 HB VAL 6 5.916 4.630 -1.495 56 HG11 VAL 6 1HG1 VAL 6 4.840 6.773 0.326 57 HG12 VAL 6 2HG1 VAL 6 4.692 5.046 0.658 58 HG13 VAL 6 3HG1 VAL 6 6.288 5.790 0.549 59 HG21 VAL 6 1HG2 VAL 6 3.363 6.165 -1.920 60 HG22 VAL 6 2HG2 VAL 6 3.982 4.800 -2.851 61 HG23 VAL 6 3HG2 VAL 6 3.406 4.554 -1.202 62 H GLN 7 H GLN 7 7.849 6.392 -3.758 63 HA GLN 7 HA GLN 7 9.971 5.671 -2.111 64 HB2 GLN 7 2HB GLN 7 11.419 6.491 -4.018 65 HB3 GLN 7 3HB GLN 7 10.194 5.303 -4.443 66 HG2 GLN 7 2HG GLN 7 9.047 7.875 -4.739 67 HG3 GLN 7 3HG GLN 7 10.621 7.884 -5.531 68 HE21 GLN 7 1HE2 GLN 7 8.013 8.048 -6.744 69 HE22 GLN 7 2HE2 GLN 7 7.873 6.696 -7.810 70 H ARG 8 H ARG 8 8.622 8.794 -2.803 71 HA ARG 8 HA ARG 8 10.880 10.161 -1.544 72 HB2 ARG 8 2HB ARG 8 8.492 11.677 -2.446 73 HB3 ARG 8 3HB ARG 8 10.199 12.075 -2.590 74 HG2 ARG 8 2HG ARG 8 10.420 10.447 -4.406 75 HG3 ARG 8 3HG ARG 8 8.700 10.075 -4.269 76 HD2 ARG 8 2HD ARG 8 9.590 12.897 -4.692 77 HD3 ARG 8 3HD ARG 8 9.529 11.782 -6.056 78 HE ARG 8 HE ARG 8 7.091 11.534 -4.842 79 HH11 ARG 8 1HH1 ARG 8 8.934 14.162 -6.191 80 HH12 ARG 8 2HH1 ARG 8 7.536 15.072 -6.661 81 HH21 ARG 8 1HH2 ARG 8 5.244 12.723 -5.457 82 HH22 ARG 8 2HH2 ARG 8 5.438 14.253 -6.242 83 H ILE 9 H ILE 9 8.184 8.629 -0.528 84 HA ILE 9 HA ILE 9 7.033 8.598 1.436 85 HB ILE 9 HB ILE 9 8.841 10.788 2.438 86 HG12 ILE 9 2HG1 ILE 9 10.289 9.088 1.506 87 HG13 ILE 9 3HG1 ILE 9 10.322 8.960 3.261 88 HG21 ILE 9 1HG2 ILE 9 6.909 8.912 3.618 89 HG22 ILE 9 2HG2 ILE 9 8.424 9.091 4.500 90 HG23 ILE 9 3HG2 ILE 9 7.426 10.506 4.166 91 HD11 ILE 9 1HD1 ILE 9 10.230 6.783 2.104 92 HD12 ILE 9 2HD1 ILE 9 8.872 7.051 3.198 93 HD13 ILE 9 3HD1 ILE 9 8.651 7.229 1.457 94 H LYS 10 H LYS 10 6.784 10.837 -0.748 95 HA LYS 10 HA LYS 10 5.760 13.162 0.293 96 HB2 LYS 10 2HB LYS 10 4.353 13.281 -1.763 97 HB3 LYS 10 3HB LYS 10 6.040 12.902 -2.082 98 HG2 LYS 10 2HG LYS 10 5.122 11.338 -3.416 99 HG3 LYS 10 3HG LYS 10 5.066 10.417 -1.912 100 HD2 LYS 10 2HD LYS 10 2.899 10.159 -2.563 101 HD3 LYS 10 3HD LYS 10 2.737 11.681 -1.683 102 HE2 LYS 10 2HE LYS 10 3.527 12.256 -4.358 103 HE3 LYS 10 3HE LYS 10 2.161 11.143 -4.406 104 HZ1 LYS 10 1HZ LYS 10 1.750 13.194 -2.481 105 HZ2 LYS 10 2HZ LYS 10 0.789 12.759 -3.803 106 HZ3 LYS 10 3HZ LYS 10 2.057 13.859 -4.006 107 H ASP 11 H ASP 11 4.150 10.043 -0.059 108 HA ASP 11 HA ASP 11 1.920 11.099 1.553 109 HB2 ASP 11 2HB ASP 11 1.929 9.398 -0.885 110 HB3 ASP 11 3HB ASP 11 0.741 9.013 0.357 111 H PHE 12 H PHE 12 2.716 7.797 0.549 112 HA PHE 12 HA PHE 12 3.233 5.920 1.730 113 HB2 PHE 12 2HB PHE 12 4.733 7.866 2.946 114 HB3 PHE 12 3HB PHE 12 3.799 7.232 4.297 115 HD1 PHE 12 HD1 PHE 12 6.862 7.023 3.004 116 HD2 PHE 12 HD2 PHE 12 3.593 4.432 3.854 117 HE1 PHE 12 HE1 PHE 12 8.417 5.125 3.180 118 HE2 PHE 12 HE2 PHE 12 5.143 2.530 4.033 119 HZ PHE 12 HZ PHE 12 7.558 2.875 3.697 120 H LEU 13 H LEU 13 1.991 8.052 4.300 121 HA LEU 13 HA LEU 13 -0.202 6.125 4.700 122 HB2 LEU 13 2HB LEU 13 0.786 7.936 6.864 123 HB3 LEU 13 3HB LEU 13 -0.089 6.412 7.000 124 HG LEU 13 HG LEU 13 2.797 6.680 6.158 125 HD11 LEU 13 1HD1 LEU 13 2.400 7.318 8.511 126 HD12 LEU 13 2HD1 LEU 13 3.360 5.849 8.348 127 HD13 LEU 13 3HD1 LEU 13 1.656 5.743 8.786 128 HD21 LEU 13 1HD2 LEU 13 1.135 4.660 5.535 129 HD22 LEU 13 2HD2 LEU 13 1.674 4.130 7.128 130 HD23 LEU 13 3HD2 LEU 13 2.856 4.444 5.856 131 H ARG 14 H ARG 14 0.528 9.182 3.661 132 HA ARG 14 HA ARG 14 -1.843 10.486 4.719 133 HB2 ARG 14 2HB ARG 14 0.651 11.364 3.736 134 HB3 ARG 14 3HB ARG 14 -0.559 11.963 2.609 135 HG2 ARG 14 2HG ARG 14 -1.418 12.375 5.323 136 HG3 ARG 14 3HG ARG 14 0.181 13.074 5.056 137 HD2 ARG 14 2HD ARG 14 -0.797 14.124 2.959 138 HD3 ARG 14 3HD ARG 14 -2.377 13.649 3.582 139 HE ARG 14 HE ARG 14 -0.777 15.164 5.439 140 HH11 ARG 14 1HH1 ARG 14 -3.098 15.307 2.847 141 HH12 ARG 14 2HH1 ARG 14 -3.690 16.874 3.289 142 HH21 ARG 14 1HH2 ARG 14 -1.550 17.227 6.031 143 HH22 ARG 14 2HH2 ARG 14 -2.809 17.966 5.100 144 H ASN 15 H ASN 15 -1.504 8.213 2.506 145 HA ASN 15 HA ASN 15 -3.269 9.438 0.505 146 HB2 ASN 15 2HB ASN 15 -1.037 8.010 0.064 147 HB3 ASN 15 3HB ASN 15 -2.206 6.694 0.101 148 HD21 ASN 15 1HD2 ASN 15 -4.206 7.116 -1.246 149 HD22 ASN 15 2HD2 ASN 15 -3.945 7.808 -2.808 150 H LEU 16 H LEU 16 -3.677 7.985 3.313 151 HA LEU 16 HA LEU 16 -5.788 6.143 2.445 152 HB2 LEU 16 2HB LEU 16 -4.960 6.509 5.292 153 HB3 LEU 16 3HB LEU 16 -5.634 5.086 4.499 154 HG LEU 16 HG LEU 16 -2.825 6.122 4.117 155 HD11 LEU 16 1HD1 LEU 16 -3.947 3.913 5.819 156 HD12 LEU 16 2HD1 LEU 16 -2.957 5.283 6.321 157 HD13 LEU 16 3HD1 LEU 16 -2.250 3.994 5.345 158 HD21 LEU 16 1HD2 LEU 16 -4.311 4.565 2.417 159 HD22 LEU 16 2HD2 LEU 16 -3.449 3.368 3.384 160 HD23 LEU 16 3HD2 LEU 16 -2.550 4.603 2.502 161 H VAL 17 H VAL 17 -5.217 9.076 4.284 162 HA VAL 17 HA VAL 17 -8.135 9.446 4.481 163 HB VAL 17 HB VAL 17 -7.246 9.090 6.708 164 HG11 VAL 17 1HG1 VAL 17 -5.682 11.304 7.280 165 HG12 VAL 17 2HG1 VAL 17 -5.121 9.642 7.087 166 HG13 VAL 17 3HG1 VAL 17 -5.089 10.750 5.715 167 HG21 VAL 17 1HG2 VAL 17 -7.557 11.952 7.011 168 HG22 VAL 17 2HG2 VAL 17 -8.746 11.280 5.896 169 HG23 VAL 17 3HG2 VAL 17 -8.616 10.642 7.535 Start of MODEL 8 1 H1 GLU 1 H GLU 1 2.484 2.156 0.016 2 HA GLU 1 HA GLU 1 3.647 -0.541 0.026 3 HB2 GLU 1 2HB GLU 1 3.034 1.121 -2.412 4 HB3 GLU 1 3HB GLU 1 3.302 -0.614 -2.322 5 HG2 GLU 1 2HG GLU 1 1.208 -0.805 -0.994 6 HG3 GLU 1 3HG GLU 1 0.924 0.910 -1.290 7 H PHE 2 H PHE 2 4.346 2.827 -0.617 8 HA PHE 2 HA PHE 2 6.313 3.955 -0.817 9 HB2 PHE 2 2HB PHE 2 6.975 2.313 1.041 10 HB3 PHE 2 3HB PHE 2 7.784 1.394 -0.224 11 HD1 PHE 2 HD1 PHE 2 7.561 4.936 0.939 12 HD2 PHE 2 HD2 PHE 2 10.026 1.770 -0.482 13 HE1 PHE 2 HE1 PHE 2 9.541 6.379 1.167 14 HE2 PHE 2 HE2 PHE 2 12.009 3.208 -0.255 15 HZ PHE 2 HZ PHE 2 11.769 5.515 0.571 16 H LYS 3 H LYS 3 5.172 1.859 -2.884 17 HA LYS 3 HA LYS 3 7.441 2.111 -4.748 18 HB2 LYS 3 2HB LYS 3 6.578 0.058 -5.865 19 HB3 LYS 3 3HB LYS 3 7.149 -0.221 -4.225 20 HG2 LYS 3 2HG LYS 3 5.214 -1.194 -3.779 21 HG3 LYS 3 3HG LYS 3 4.424 0.371 -3.987 22 HD2 LYS 3 2HD LYS 3 3.310 -1.146 -5.430 23 HD3 LYS 3 3HD LYS 3 4.331 -0.137 -6.457 24 HE2 LYS 3 2HE LYS 3 5.746 -2.483 -5.531 25 HE3 LYS 3 3HE LYS 3 4.260 -2.919 -6.373 26 HZ1 LYS 3 1HZ LYS 3 6.180 -0.984 -7.517 27 HZ2 LYS 3 2HZ LYS 3 4.961 -1.849 -8.308 28 HZ3 LYS 3 3HZ LYS 3 6.347 -2.650 -7.762 29 H ARG 4 H ARG 4 4.211 2.873 -4.080 30 HA ARG 4 HA ARG 4 3.788 3.710 -6.874 31 HB2 ARG 4 2HB ARG 4 2.007 2.349 -4.952 32 HB3 ARG 4 3HB ARG 4 1.272 3.667 -5.855 33 HG2 ARG 4 2HG ARG 4 2.325 2.470 -7.916 34 HG3 ARG 4 3HG ARG 4 2.361 1.074 -6.838 35 HD2 ARG 4 2HD ARG 4 -0.182 2.275 -6.571 36 HD3 ARG 4 3HD ARG 4 0.163 2.165 -8.296 37 HE ARG 4 HE ARG 4 0.818 -0.294 -7.318 38 HH11 ARG 4 1HH1 ARG 4 -2.032 1.703 -7.228 39 HH12 ARG 4 2HH1 ARG 4 -3.128 0.363 -7.172 40 HH21 ARG 4 1HH2 ARG 4 -0.615 -2.067 -7.245 41 HH22 ARG 4 2HH2 ARG 4 -2.321 -1.781 -7.181 42 H ILE 5 H ILE 5 4.665 5.760 -6.585 43 HA ILE 5 HA ILE 5 4.672 7.980 -6.085 44 HB ILE 5 HB ILE 5 1.851 7.750 -5.090 45 HG12 ILE 5 2HG1 ILE 5 1.832 6.421 -7.095 46 HG13 ILE 5 3HG1 ILE 5 1.130 7.988 -7.481 47 HG21 ILE 5 1HG2 ILE 5 3.591 9.851 -6.265 48 HG22 ILE 5 2HG2 ILE 5 1.861 9.924 -6.593 49 HG23 ILE 5 3HG2 ILE 5 2.444 9.947 -4.929 50 HD11 ILE 5 1HD1 ILE 5 3.246 8.685 -8.479 51 HD12 ILE 5 2HD1 ILE 5 3.939 7.107 -8.101 52 HD13 ILE 5 3HD1 ILE 5 2.604 7.233 -9.247 53 H VAL 6 H VAL 6 4.971 5.782 -3.926 54 HA VAL 6 HA VAL 6 4.767 7.604 -1.616 55 HB VAL 6 HB VAL 6 4.600 4.588 -1.557 56 HG11 VAL 6 1HG1 VAL 6 4.530 6.693 0.583 57 HG12 VAL 6 2HG1 VAL 6 3.836 5.088 0.827 58 HG13 VAL 6 3HG1 VAL 6 5.556 5.263 0.476 59 HG21 VAL 6 1HG2 VAL 6 2.581 6.657 -1.915 60 HG22 VAL 6 2HG2 VAL 6 2.473 4.915 -2.166 61 HG23 VAL 6 3HG2 VAL 6 2.242 5.589 -0.552 62 H GLN 7 H GLN 7 6.815 5.835 -3.631 63 HA GLN 7 HA GLN 7 8.859 4.978 -1.966 64 HB2 GLN 7 2HB GLN 7 10.352 5.373 -3.970 65 HB3 GLN 7 3HB GLN 7 8.943 4.360 -4.254 66 HG2 GLN 7 2HG GLN 7 8.113 5.757 -5.770 67 HG3 GLN 7 3HG GLN 7 8.415 7.169 -4.759 68 HE21 GLN 7 1HE2 GLN 7 9.265 5.570 -7.551 69 HE22 GLN 7 2HE2 GLN 7 10.744 6.394 -7.895 70 H ARG 8 H ARG 8 8.018 8.197 -2.992 71 HA ARG 8 HA ARG 8 10.493 9.413 -2.234 72 HB2 ARG 8 2HB ARG 8 7.856 10.847 -2.460 73 HB3 ARG 8 3HB ARG 8 9.472 11.477 -2.752 74 HG2 ARG 8 2HG ARG 8 9.619 9.911 -4.710 75 HG3 ARG 8 3HG ARG 8 7.904 9.573 -4.467 76 HD2 ARG 8 2HD ARG 8 7.313 11.463 -5.484 77 HD3 ARG 8 3HD ARG 8 8.408 12.413 -4.481 78 HE ARG 8 HE ARG 8 10.047 11.229 -6.299 79 HH11 ARG 8 1HH1 ARG 8 7.182 13.195 -6.523 80 HH12 ARG 8 2HH1 ARG 8 7.629 13.904 -8.039 81 HH21 ARG 8 1HH2 ARG 8 10.647 12.156 -8.295 82 HH22 ARG 8 2HH2 ARG 8 9.600 13.312 -9.046 83 H ILE 9 H ILE 9 7.542 8.578 -0.609 84 HA ILE 9 HA ILE 9 7.084 8.488 1.635 85 HB ILE 9 HB ILE 9 9.847 8.733 1.655 86 HG12 ILE 9 2HG1 ILE 9 8.594 7.111 2.944 87 HG13 ILE 9 3HG1 ILE 9 9.622 8.034 4.036 88 HG21 ILE 9 1HG2 ILE 9 9.458 11.184 2.078 89 HG22 ILE 9 2HG2 ILE 9 8.750 10.724 3.625 90 HG23 ILE 9 3HG2 ILE 9 10.439 10.352 3.284 91 HD11 ILE 9 1HD1 ILE 9 7.327 7.598 4.883 92 HD12 ILE 9 2HD1 ILE 9 7.765 9.305 4.816 93 HD13 ILE 9 3HD1 ILE 9 6.708 8.617 3.584 94 H LYS 10 H LYS 10 7.620 11.244 -0.187 95 HA LYS 10 HA LYS 10 7.247 13.394 1.477 96 HB2 LYS 10 2HB LYS 10 6.315 14.572 -0.413 97 HB3 LYS 10 3HB LYS 10 7.609 13.522 -0.977 98 HG2 LYS 10 2HG LYS 10 5.428 11.910 -1.247 99 HG3 LYS 10 3HG LYS 10 4.756 13.502 -1.609 100 HD2 LYS 10 2HD LYS 10 7.352 12.935 -2.866 101 HD3 LYS 10 3HD LYS 10 6.020 11.914 -3.415 102 HE2 LYS 10 2HE LYS 10 5.867 14.919 -3.291 103 HE3 LYS 10 3HE LYS 10 6.385 14.035 -4.726 104 HZ1 LYS 10 1HZ LYS 10 3.905 13.091 -3.613 105 HZ2 LYS 10 2HZ LYS 10 4.297 13.469 -5.214 106 HZ3 LYS 10 3HZ LYS 10 3.834 14.695 -4.144 107 H ASP 11 H ASP 11 4.884 11.037 0.412 108 HA ASP 11 HA ASP 11 2.861 12.381 2.083 109 HB2 ASP 11 2HB ASP 11 2.529 10.708 -0.409 110 HB3 ASP 11 3HB ASP 11 1.187 11.119 0.656 111 H PHE 12 H PHE 12 2.889 9.124 0.704 112 HA PHE 12 HA PHE 12 2.889 7.055 1.662 113 HB2 PHE 12 2HB PHE 12 4.744 8.286 3.118 114 HB3 PHE 12 3HB PHE 12 3.527 8.108 4.377 115 HD1 PHE 12 HD1 PHE 12 6.277 6.605 2.840 116 HD2 PHE 12 HD2 PHE 12 2.486 5.683 4.541 117 HE1 PHE 12 HE1 PHE 12 7.012 4.286 3.212 118 HE2 PHE 12 HE2 PHE 12 3.215 3.363 4.917 119 HZ PHE 12 HZ PHE 12 5.480 2.662 4.253 120 H LEU 13 H LEU 13 1.887 9.142 4.372 121 HA LEU 13 HA LEU 13 -0.565 7.554 4.599 122 HB2 LEU 13 2HB LEU 13 0.288 9.637 6.567 123 HB3 LEU 13 3HB LEU 13 -0.698 8.199 6.825 124 HG LEU 13 HG LEU 13 2.264 8.133 6.262 125 HD11 LEU 13 1HD1 LEU 13 0.875 7.841 8.920 126 HD12 LEU 13 2HD1 LEU 13 1.715 9.297 8.387 127 HD13 LEU 13 3HD1 LEU 13 2.611 7.795 8.608 128 HD21 LEU 13 1HD2 LEU 13 2.154 5.847 6.875 129 HD22 LEU 13 2HD2 LEU 13 0.855 6.117 5.714 130 HD23 LEU 13 3HD2 LEU 13 0.490 6.004 7.436 131 H ARG 14 H ARG 14 0.490 10.416 3.265 132 HA ARG 14 HA ARG 14 -1.870 11.990 3.818 133 HB2 ARG 14 2HB ARG 14 0.319 12.509 1.800 134 HB3 ARG 14 3HB ARG 14 -0.859 13.670 2.396 135 HG2 ARG 14 2HG ARG 14 1.270 12.337 4.058 136 HG3 ARG 14 3HG ARG 14 1.344 13.978 3.413 137 HD2 ARG 14 2HD ARG 14 0.404 14.623 5.331 138 HD3 ARG 14 3HD ARG 14 -1.086 13.914 4.711 139 HE ARG 14 HE ARG 14 0.142 11.808 5.862 140 HH11 ARG 14 1HH1 ARG 14 -0.593 15.023 6.979 141 HH12 ARG 14 2HH1 ARG 14 -0.758 14.550 8.637 142 HH21 ARG 14 1HH2 ARG 14 -0.073 11.173 8.042 143 HH22 ARG 14 2HH2 ARG 14 -0.461 12.360 9.241 144 H ASN 15 H ASN 15 -1.231 9.429 1.830 145 HA ASN 15 HA ASN 15 -2.863 10.348 -0.404 146 HB2 ASN 15 2HB ASN 15 -0.704 8.829 -0.487 147 HB3 ASN 15 3HB ASN 15 -1.862 7.539 -0.175 148 HD21 ASN 15 1HD2 ASN 15 -3.283 6.934 -1.753 149 HD22 ASN 15 2HD2 ASN 15 -3.200 7.518 -3.377 150 H LEU 16 H LEU 16 -3.605 9.412 2.551 151 HA LEU 16 HA LEU 16 -5.478 8.585 3.542 152 HB2 LEU 16 2HB LEU 16 -6.307 9.338 0.887 153 HB3 LEU 16 3HB LEU 16 -7.207 7.928 1.442 154 HG LEU 16 HG LEU 16 -7.219 9.792 3.562 155 HD11 LEU 16 1HD1 LEU 16 -7.691 11.022 0.866 156 HD12 LEU 16 2HD1 LEU 16 -6.697 11.621 2.193 157 HD13 LEU 16 3HD1 LEU 16 -8.455 11.645 2.328 158 HD21 LEU 16 1HD2 LEU 16 -9.655 9.822 3.058 159 HD22 LEU 16 2HD2 LEU 16 -8.969 8.201 3.170 160 HD23 LEU 16 3HD2 LEU 16 -9.318 8.904 1.590 161 H VAL 17 H VAL 17 -5.485 6.629 4.409 162 HA VAL 17 HA VAL 17 -4.484 4.343 3.041 163 HB VAL 17 HB VAL 17 -4.250 4.666 5.486 164 HG11 VAL 17 1HG1 VAL 17 -6.010 4.591 6.977 165 HG12 VAL 17 2HG1 VAL 17 -6.722 5.477 5.627 166 HG13 VAL 17 3HG1 VAL 17 -7.075 3.762 5.841 167 HG21 VAL 17 1HG2 VAL 17 -4.493 2.359 4.131 168 HG22 VAL 17 2HG2 VAL 17 -4.134 2.437 5.856 169 HG23 VAL 17 3HG2 VAL 17 -5.787 2.152 5.312 Start of MODEL 9 1 H1 GLU 1 H GLU 1 2.532 0.669 -0.057 2 HA GLU 1 HA GLU 1 3.576 -1.186 -2.085 3 HB2 GLU 1 2HB GLU 1 2.202 1.449 -2.644 4 HB3 GLU 1 3HB GLU 1 2.969 0.422 -3.848 5 HG2 GLU 1 2HG GLU 1 1.161 -1.222 -2.484 6 HG3 GLU 1 3HG GLU 1 0.317 0.299 -2.770 7 H PHE 2 H PHE 2 3.620 2.348 -1.680 8 HA PHE 2 HA PHE 2 5.326 3.835 -1.443 9 HB2 PHE 2 2HB PHE 2 5.936 2.205 0.440 10 HB3 PHE 2 3HB PHE 2 7.130 1.547 -0.674 11 HD1 PHE 2 HD1 PHE 2 9.261 2.276 -0.293 12 HD2 PHE 2 HD2 PHE 2 6.023 4.954 0.388 13 HE1 PHE 2 HE1 PHE 2 10.854 4.026 0.381 14 HE2 PHE 2 HE2 PHE 2 7.611 6.708 1.062 15 HZ PHE 2 HZ PHE 2 10.030 6.245 1.058 16 H LYS 3 H LYS 3 5.014 1.790 -3.805 17 HA LYS 3 HA LYS 3 7.531 2.551 -5.136 18 HB2 LYS 3 2HB LYS 3 7.425 0.526 -6.441 19 HB3 LYS 3 3HB LYS 3 7.319 0.106 -4.736 20 HG2 LYS 3 2HG LYS 3 4.695 0.509 -5.852 21 HG3 LYS 3 3HG LYS 3 5.605 -0.684 -6.782 22 HD2 LYS 3 2HD LYS 3 6.190 -1.472 -4.264 23 HD3 LYS 3 3HD LYS 3 4.571 -0.811 -4.024 24 HE2 LYS 3 2HE LYS 3 3.622 -2.559 -5.029 25 HE3 LYS 3 3HE LYS 3 4.710 -2.438 -6.411 26 HZ1 LYS 3 1HZ LYS 3 5.243 -4.485 -5.556 27 HZ2 LYS 3 2HZ LYS 3 5.009 -4.015 -3.948 28 HZ3 LYS 3 3HZ LYS 3 6.393 -3.514 -4.782 29 H ARG 4 H ARG 4 4.229 2.995 -5.041 30 HA ARG 4 HA ARG 4 3.980 3.524 -7.908 31 HB2 ARG 4 2HB ARG 4 1.572 3.859 -7.399 32 HB3 ARG 4 3HB ARG 4 2.160 2.266 -6.942 33 HG2 ARG 4 2HG ARG 4 1.663 2.581 -4.795 34 HG3 ARG 4 3HG ARG 4 2.354 4.205 -4.784 35 HD2 ARG 4 2HD ARG 4 0.355 5.170 -5.048 36 HD3 ARG 4 3HD ARG 4 -0.120 4.032 -6.308 37 HE ARG 4 HE ARG 4 -0.199 2.782 -3.773 38 HH11 ARG 4 1HH1 ARG 4 -1.908 5.090 -5.742 39 HH12 ARG 4 2HH1 ARG 4 -3.444 4.776 -5.005 40 HH21 ARG 4 1HH2 ARG 4 -2.216 2.361 -2.795 41 HH22 ARG 4 2HH2 ARG 4 -3.618 3.225 -3.328 42 H ILE 5 H ILE 5 5.670 5.294 -7.237 43 HA ILE 5 HA ILE 5 6.113 7.528 -7.235 44 HB ILE 5 HB ILE 5 3.171 8.127 -7.237 45 HG12 ILE 5 2HG1 ILE 5 3.381 6.436 -8.923 46 HG13 ILE 5 3HG1 ILE 5 3.313 7.990 -9.747 47 HG21 ILE 5 1HG2 ILE 5 5.678 9.525 -7.959 48 HG22 ILE 5 2HG2 ILE 5 4.260 9.850 -8.955 49 HG23 ILE 5 3HG2 ILE 5 4.203 10.148 -7.218 50 HD11 ILE 5 1HD1 ILE 5 5.788 6.368 -9.207 51 HD12 ILE 5 2HD1 ILE 5 4.975 6.567 -10.760 52 HD13 ILE 5 3HD1 ILE 5 5.752 7.949 -9.988 53 H VAL 6 H VAL 6 5.060 5.886 -4.791 54 HA VAL 6 HA VAL 6 4.496 8.151 -3.008 55 HB VAL 6 HB VAL 6 4.251 5.198 -2.419 56 HG11 VAL 6 1HG1 VAL 6 4.002 7.628 -0.808 57 HG12 VAL 6 2HG1 VAL 6 2.626 6.531 -0.675 58 HG13 VAL 6 3HG1 VAL 6 4.253 5.955 -0.310 59 HG21 VAL 6 1HG2 VAL 6 2.021 7.148 -2.963 60 HG22 VAL 6 2HG2 VAL 6 2.695 6.075 -4.190 61 HG23 VAL 6 3HG2 VAL 6 1.906 5.399 -2.765 62 H GLN 7 H GLN 7 7.026 6.213 -4.024 63 HA GLN 7 HA GLN 7 8.486 5.610 -1.763 64 HB2 GLN 7 2HB GLN 7 10.518 5.992 -3.274 65 HB3 GLN 7 3HB GLN 7 9.331 4.807 -3.802 66 HG2 GLN 7 2HG GLN 7 8.654 6.058 -5.568 67 HG3 GLN 7 3HG GLN 7 8.994 7.587 -4.759 68 HE21 GLN 7 1HE2 GLN 7 10.428 8.659 -5.906 69 HE22 GLN 7 2HE2 GLN 7 11.870 8.008 -6.601 70 H ARG 8 H ARG 8 7.875 8.703 -3.207 71 HA ARG 8 HA ARG 8 9.986 10.208 -2.195 72 HB2 ARG 8 2HB ARG 8 7.163 11.243 -2.368 73 HB3 ARG 8 3HB ARG 8 8.664 12.126 -2.609 74 HG2 ARG 8 2HG ARG 8 9.047 10.650 -4.630 75 HG3 ARG 8 3HG ARG 8 7.372 10.128 -4.438 76 HD2 ARG 8 2HD ARG 8 6.803 11.893 -5.673 77 HD3 ARG 8 3HD ARG 8 7.237 12.889 -4.284 78 HE ARG 8 HE ARG 8 9.062 13.620 -5.442 79 HH11 ARG 8 1HH1 ARG 8 7.918 10.673 -6.901 80 HH12 ARG 8 2HH1 ARG 8 9.018 10.755 -8.237 81 HH21 ARG 8 1HH2 ARG 8 10.515 13.738 -7.196 82 HH22 ARG 8 2HH2 ARG 8 10.495 12.498 -8.404 83 H ILE 9 H ILE 9 7.293 8.788 -0.578 84 HA ILE 9 HA ILE 9 6.909 8.532 1.668 85 HB ILE 9 HB ILE 9 9.550 9.376 1.668 86 HG12 ILE 9 2HG1 ILE 9 8.703 7.490 2.927 87 HG13 ILE 9 3HG1 ILE 9 9.520 8.590 4.033 88 HG21 ILE 9 1HG2 ILE 9 8.638 11.672 2.161 89 HG22 ILE 9 2HG2 ILE 9 8.080 11.031 3.705 90 HG23 ILE 9 3HG2 ILE 9 9.803 11.049 3.329 91 HD11 ILE 9 1HD1 ILE 9 6.543 8.531 3.625 92 HD12 ILE 9 2HD1 ILE 9 7.391 7.642 4.892 93 HD13 ILE 9 3HD1 ILE 9 7.443 9.405 4.864 94 H LYS 10 H LYS 10 6.791 11.385 -0.076 95 HA LYS 10 HA LYS 10 5.983 13.356 1.654 96 HB2 LYS 10 2HB LYS 10 4.807 14.360 -0.185 97 HB3 LYS 10 3HB LYS 10 6.257 13.592 -0.816 98 HG2 LYS 10 2HG LYS 10 4.438 11.592 -1.079 99 HG3 LYS 10 3HG LYS 10 3.436 13.021 -1.346 100 HD2 LYS 10 2HD LYS 10 6.009 13.117 -2.729 101 HD3 LYS 10 3HD LYS 10 4.980 11.777 -3.241 102 HE2 LYS 10 2HE LYS 10 3.131 13.625 -3.325 103 HE3 LYS 10 3HE LYS 10 4.508 14.720 -3.431 104 HZ1 LYS 10 1HZ LYS 10 5.213 13.736 -5.424 105 HZ2 LYS 10 2HZ LYS 10 3.540 13.918 -5.599 106 HZ3 LYS 10 3HZ LYS 10 4.193 12.399 -5.241 107 H ASP 11 H ASP 11 4.192 10.549 0.575 108 HA ASP 11 HA ASP 11 1.968 11.357 2.334 109 HB2 ASP 11 2HB ASP 11 1.932 9.849 -0.276 110 HB3 ASP 11 3HB ASP 11 0.579 9.802 0.851 111 H PHE 12 H PHE 12 2.780 8.284 0.754 112 HA PHE 12 HA PHE 12 3.277 6.223 1.593 113 HB2 PHE 12 2HB PHE 12 4.739 7.744 3.179 114 HB3 PHE 12 3HB PHE 12 3.544 7.269 4.381 115 HD1 PHE 12 HD1 PHE 12 3.052 4.676 4.459 116 HD2 PHE 12 HD2 PHE 12 6.608 6.440 2.924 117 HE1 PHE 12 HE1 PHE 12 4.254 2.559 4.818 118 HE2 PHE 12 HE2 PHE 12 7.815 4.326 3.279 119 HZ PHE 12 HZ PHE 12 6.638 2.381 4.227 120 H LEU 13 H LEU 13 1.683 7.815 4.355 121 HA LEU 13 HA LEU 13 -0.342 5.686 4.302 122 HB2 LEU 13 2HB LEU 13 0.099 7.601 6.566 123 HB3 LEU 13 3HB LEU 13 -0.677 6.019 6.597 124 HG LEU 13 HG LEU 13 2.264 6.356 6.062 125 HD11 LEU 13 1HD1 LEU 13 2.744 6.093 8.349 126 HD12 LEU 13 2HD1 LEU 13 1.065 5.724 8.743 127 HD13 LEU 13 3HD1 LEU 13 1.520 7.360 8.270 128 HD21 LEU 13 1HD2 LEU 13 0.765 4.012 7.204 129 HD22 LEU 13 2HD2 LEU 13 2.410 4.053 6.568 130 HD23 LEU 13 3HD2 LEU 13 1.036 4.225 5.474 131 H ARG 14 H ARG 14 0.121 8.905 3.499 132 HA ARG 14 HA ARG 14 -2.588 9.769 4.081 133 HB2 ARG 14 2HB ARG 14 -0.247 11.121 2.739 134 HB3 ARG 14 3HB ARG 14 -1.831 11.869 2.889 135 HG2 ARG 14 2HG ARG 14 -1.655 11.656 5.346 136 HG3 ARG 14 3HG ARG 14 -0.021 11.022 5.139 137 HD2 ARG 14 2HD ARG 14 0.843 13.053 4.734 138 HD3 ARG 14 3HD ARG 14 -0.520 13.535 3.725 139 HE ARG 14 HE ARG 14 -1.469 14.545 5.548 140 HH11 ARG 14 1HH1 ARG 14 1.071 12.415 6.612 141 HH12 ARG 14 2HH1 ARG 14 1.017 12.960 8.256 142 HH21 ARG 14 1HH2 ARG 14 -1.550 15.270 7.709 143 HH22 ARG 14 2HH2 ARG 14 -0.475 14.583 8.879 144 H ASN 15 H ASN 15 -1.471 7.714 1.914 145 HA ASN 15 HA ASN 15 -2.561 8.779 -0.523 146 HB2 ASN 15 2HB ASN 15 -0.668 6.985 -0.159 147 HB3 ASN 15 3HB ASN 15 -2.022 5.860 -0.136 148 HD21 ASN 15 1HD2 ASN 15 0.257 7.080 -2.058 149 HD22 ASN 15 2HD2 ASN 15 -0.536 6.988 -3.590 150 H LEU 16 H LEU 16 -3.960 7.584 2.219 151 HA LEU 16 HA LEU 16 -6.323 6.631 0.738 152 HB2 LEU 16 2HB LEU 16 -6.834 5.475 2.995 153 HB3 LEU 16 3HB LEU 16 -5.667 4.751 1.891 154 HG LEU 16 HG LEU 16 -4.526 6.560 3.914 155 HD11 LEU 16 1HD1 LEU 16 -4.872 5.266 5.791 156 HD12 LEU 16 2HD1 LEU 16 -5.340 3.846 4.857 157 HD13 LEU 16 3HD1 LEU 16 -6.453 5.205 5.011 158 HD21 LEU 16 1HD2 LEU 16 -2.872 4.750 4.041 159 HD22 LEU 16 2HD2 LEU 16 -3.134 5.291 2.382 160 HD23 LEU 16 3HD2 LEU 16 -3.858 3.783 2.943 161 H VAL 17 H VAL 17 -5.097 8.597 3.362 162 HA VAL 17 HA VAL 17 -7.593 9.377 4.445 163 HB VAL 17 HB VAL 17 -5.002 10.929 4.497 164 HG11 VAL 17 1HG1 VAL 17 -7.581 11.132 5.997 165 HG12 VAL 17 2HG1 VAL 17 -6.070 11.644 6.752 166 HG13 VAL 17 3HG1 VAL 17 -6.613 12.406 5.256 167 HG21 VAL 17 1HG2 VAL 17 -4.197 9.213 5.673 168 HG22 VAL 17 2HG2 VAL 17 -5.327 9.679 6.944 169 HG23 VAL 17 3HG2 VAL 17 -5.779 8.441 5.773 Start of MODEL 10 1 H1 GLU 1 H GLU 1 2.644 0.425 0.357 2 HA GLU 1 HA GLU 1 3.379 -1.184 -1.939 3 HB2 GLU 1 2HB GLU 1 2.038 1.506 -2.270 4 HB3 GLU 1 3HB GLU 1 2.826 0.608 -3.559 5 HG2 GLU 1 2HG GLU 1 0.652 -0.698 -2.001 6 HG3 GLU 1 3HG GLU 1 0.239 0.493 -3.233 7 H PHE 2 H PHE 2 3.517 2.310 -1.290 8 HA PHE 2 HA PHE 2 5.262 3.732 -0.952 9 HB2 PHE 2 2HB PHE 2 5.831 2.049 0.850 10 HB3 PHE 2 3HB PHE 2 6.932 1.301 -0.302 11 HD1 PHE 2 HD1 PHE 2 9.051 1.699 0.540 12 HD2 PHE 2 HD2 PHE 2 6.254 4.900 0.335 13 HE1 PHE 2 HE1 PHE 2 10.817 3.279 1.202 14 HE2 PHE 2 HE2 PHE 2 8.014 6.486 0.997 15 HZ PHE 2 HZ PHE 2 10.300 5.676 1.431 16 H LYS 3 H LYS 3 4.924 1.809 -3.432 17 HA LYS 3 HA LYS 3 7.433 2.658 -4.725 18 HB2 LYS 3 2HB LYS 3 7.231 0.675 -6.189 19 HB3 LYS 3 3HB LYS 3 7.432 0.244 -4.496 20 HG2 LYS 3 2HG LYS 3 5.738 -1.162 -4.934 21 HG3 LYS 3 3HG LYS 3 4.747 0.271 -4.652 22 HD2 LYS 3 2HD LYS 3 4.727 0.732 -7.054 23 HD3 LYS 3 3HD LYS 3 5.731 -0.692 -7.339 24 HE2 LYS 3 2HE LYS 3 3.168 -1.011 -5.852 25 HE3 LYS 3 3HE LYS 3 3.112 -0.790 -7.600 26 HZ1 LYS 3 1HZ LYS 3 3.246 -3.157 -6.678 27 HZ2 LYS 3 2HZ LYS 3 4.878 -2.821 -6.390 28 HZ3 LYS 3 3HZ LYS 3 4.266 -2.751 -7.965 29 H ARG 4 H ARG 4 4.140 3.059 -4.601 30 HA ARG 4 HA ARG 4 3.938 3.769 -7.446 31 HB2 ARG 4 2HB ARG 4 2.072 2.663 -5.495 32 HB3 ARG 4 3HB ARG 4 1.408 4.045 -6.356 33 HG2 ARG 4 2HG ARG 4 2.360 2.739 -8.449 34 HG3 ARG 4 3HG ARG 4 2.161 1.362 -7.364 35 HD2 ARG 4 2HD ARG 4 0.162 1.645 -8.688 36 HD3 ARG 4 3HD ARG 4 -0.187 2.026 -7.002 37 HE ARG 4 HE ARG 4 0.492 4.399 -8.317 38 HH11 ARG 4 1HH1 ARG 4 -2.033 2.002 -8.310 39 HH12 ARG 4 2HH1 ARG 4 -3.265 3.110 -8.819 40 HH21 ARG 4 1HH2 ARG 4 -1.120 5.866 -8.987 41 HH22 ARG 4 2HH2 ARG 4 -2.744 5.307 -9.205 42 H ILE 5 H ILE 5 5.123 5.734 -7.164 43 HA ILE 5 HA ILE 5 5.325 7.983 -6.877 44 HB ILE 5 HB ILE 5 2.375 8.161 -6.362 45 HG12 ILE 5 2HG1 ILE 5 2.518 6.622 -8.205 46 HG13 ILE 5 3HG1 ILE 5 2.078 8.198 -8.852 47 HG21 ILE 5 1HG2 ILE 5 4.518 9.922 -7.434 48 HG22 ILE 5 2HG2 ILE 5 2.873 10.142 -8.028 49 HG23 ILE 5 3HG2 ILE 5 3.214 10.288 -6.304 50 HD11 ILE 5 1HD1 ILE 5 4.825 6.973 -8.896 51 HD12 ILE 5 2HD1 ILE 5 3.715 7.105 -10.261 52 HD13 ILE 5 3HD1 ILE 5 4.395 8.560 -9.533 53 H VAL 6 H VAL 6 5.071 6.046 -4.502 54 HA VAL 6 HA VAL 6 4.642 8.110 -2.440 55 HB VAL 6 HB VAL 6 4.390 5.142 -1.980 56 HG11 VAL 6 1HG1 VAL 6 4.100 7.579 -0.352 57 HG12 VAL 6 2HG1 VAL 6 2.852 6.353 -0.124 58 HG13 VAL 6 3HG1 VAL 6 4.549 5.941 0.122 59 HG21 VAL 6 1HG2 VAL 6 1.843 6.168 -1.843 60 HG22 VAL 6 2HG2 VAL 6 2.523 6.985 -3.250 61 HG23 VAL 6 3HG2 VAL 6 2.503 5.223 -3.178 62 H GLN 7 H GLN 7 6.993 6.551 -4.039 63 HA GLN 7 HA GLN 7 8.689 5.549 -2.028 64 HB2 GLN 7 2HB GLN 7 9.691 6.806 -4.569 65 HB3 GLN 7 3HB GLN 7 10.368 5.452 -3.675 66 HG2 GLN 7 2HG GLN 7 7.855 4.562 -4.345 67 HG3 GLN 7 3HG GLN 7 8.348 5.491 -5.760 68 HE21 GLN 7 1HE2 GLN 7 9.836 3.223 -3.465 69 HE22 GLN 7 2HE2 GLN 7 10.616 2.257 -4.666 70 H ARG 8 H ARG 8 7.939 8.762 -3.029 71 HA ARG 8 HA ARG 8 10.277 10.080 -2.158 72 HB2 ARG 8 2HB ARG 8 7.530 11.306 -2.079 73 HB3 ARG 8 3HB ARG 8 9.070 12.091 -2.400 74 HG2 ARG 8 2HG ARG 8 9.196 10.731 -4.514 75 HG3 ARG 8 3HG ARG 8 7.523 10.259 -4.208 76 HD2 ARG 8 2HD ARG 8 6.911 12.664 -4.159 77 HD3 ARG 8 3HD ARG 8 8.571 13.058 -4.606 78 HE ARG 8 HE ARG 8 7.477 11.232 -6.460 79 HH11 ARG 8 1HH1 ARG 8 7.281 14.568 -5.485 80 HH12 ARG 8 2HH1 ARG 8 6.803 15.133 -7.051 81 HH21 ARG 8 1HH2 ARG 8 6.847 11.964 -8.527 82 HH22 ARG 8 2HH2 ARG 8 6.555 13.651 -8.780 83 H ILE 9 H ILE 9 7.604 8.720 -0.462 84 HA ILE 9 HA ILE 9 7.336 8.351 1.785 85 HB ILE 9 HB ILE 9 10.019 9.040 1.671 86 HG12 ILE 9 2HG1 ILE 9 9.111 7.136 2.872 87 HG13 ILE 9 3HG1 ILE 9 10.089 8.104 3.970 88 HG21 ILE 9 1HG2 ILE 9 9.280 11.352 2.347 89 HG22 ILE 9 2HG2 ILE 9 8.775 10.653 3.884 90 HG23 ILE 9 3HG2 ILE 9 10.471 10.594 3.403 91 HD11 ILE 9 1HD1 ILE 9 7.105 8.366 3.799 92 HD12 ILE 9 2HD1 ILE 9 7.913 7.232 4.882 93 HD13 ILE 9 3HD1 ILE 9 8.186 8.965 5.056 94 H LYS 10 H LYS 10 7.295 11.311 0.221 95 HA LYS 10 HA LYS 10 6.696 13.200 2.129 96 HB2 LYS 10 2HB LYS 10 5.325 14.310 0.381 97 HB3 LYS 10 3HB LYS 10 6.902 13.796 -0.202 98 HG2 LYS 10 2HG LYS 10 5.635 13.070 -1.931 99 HG3 LYS 10 3HG LYS 10 5.520 11.642 -0.899 100 HD2 LYS 10 2HD LYS 10 3.304 11.896 -1.204 101 HD3 LYS 10 3HD LYS 10 3.461 13.128 0.051 102 HE2 LYS 10 2HE LYS 10 3.525 14.874 -1.538 103 HE3 LYS 10 3HE LYS 10 3.785 13.752 -2.873 104 HZ1 LYS 10 1HZ LYS 10 1.534 12.849 -2.393 105 HZ2 LYS 10 2HZ LYS 10 1.532 14.451 -2.934 106 HZ3 LYS 10 3HZ LYS 10 1.301 14.113 -1.292 107 H ASP 11 H ASP 11 4.712 10.576 0.955 108 HA ASP 11 HA ASP 11 2.551 11.444 2.762 109 HB2 ASP 11 2HB ASP 11 2.517 10.121 0.089 110 HB3 ASP 11 3HB ASP 11 1.250 9.698 1.237 111 H PHE 12 H PHE 12 3.230 8.317 1.234 112 HA PHE 12 HA PHE 12 3.672 6.255 2.105 113 HB2 PHE 12 2HB PHE 12 5.201 7.783 3.648 114 HB3 PHE 12 3HB PHE 12 4.029 7.308 4.874 115 HD1 PHE 12 HD1 PHE 12 6.881 6.309 2.931 116 HD2 PHE 12 HD2 PHE 12 3.689 4.873 5.352 117 HE1 PHE 12 HE1 PHE 12 8.078 4.182 3.241 118 HE2 PHE 12 HE2 PHE 12 4.880 2.744 5.667 119 HZ PHE 12 HZ PHE 12 7.078 2.396 4.612 120 H LEU 13 H LEU 13 2.197 7.960 4.867 121 HA LEU 13 HA LEU 13 0.105 5.899 4.914 122 HB2 LEU 13 2HB LEU 13 0.655 7.883 7.096 123 HB3 LEU 13 3HB LEU 13 -0.191 6.341 7.202 124 HG LEU 13 HG LEU 13 2.747 6.500 6.590 125 HD11 LEU 13 1HD1 LEU 13 2.170 7.681 8.738 126 HD12 LEU 13 2HD1 LEU 13 3.265 6.308 8.892 127 HD13 LEU 13 3HD1 LEU 13 1.567 6.133 9.333 128 HD21 LEU 13 1HD2 LEU 13 2.788 4.229 7.210 129 HD22 LEU 13 2HD2 LEU 13 1.369 4.409 6.178 130 HD23 LEU 13 3HD2 LEU 13 1.180 4.312 7.929 131 H ARG 14 H ARG 14 0.649 9.091 4.020 132 HA ARG 14 HA ARG 14 -1.941 10.150 4.669 133 HB2 ARG 14 2HB ARG 14 0.528 11.192 3.784 134 HB3 ARG 14 3HB ARG 14 -0.649 11.582 2.537 135 HG2 ARG 14 2HG ARG 14 -1.888 12.159 4.988 136 HG3 ARG 14 3HG ARG 14 -0.246 12.797 5.094 137 HD2 ARG 14 2HD ARG 14 -2.215 13.349 2.875 138 HD3 ARG 14 3HD ARG 14 -1.813 14.452 4.191 139 HE ARG 14 HE ARG 14 0.586 13.895 3.026 140 HH11 ARG 14 1HH1 ARG 14 -2.467 15.115 1.884 141 HH12 ARG 14 2HH1 ARG 14 -1.762 16.067 0.619 142 HH21 ARG 14 1HH2 ARG 14 1.527 15.143 1.365 143 HH22 ARG 14 2HH2 ARG 14 0.510 16.081 0.325 144 H ASN 15 H ASN 15 -0.929 7.927 2.441 145 HA ASN 15 HA ASN 15 -2.688 8.762 0.285 146 HB2 ASN 15 2HB ASN 15 -0.382 7.562 0.067 147 HB3 ASN 15 3HB ASN 15 -1.306 6.100 0.399 148 HD21 ASN 15 1HD2 ASN 15 -0.647 8.622 -1.865 149 HD22 ASN 15 2HD2 ASN 15 -1.512 7.941 -3.197 150 H LEU 16 H LEU 16 -3.314 7.549 3.170 151 HA LEU 16 HA LEU 16 -5.344 5.639 2.218 152 HB2 LEU 16 2HB LEU 16 -4.540 5.885 5.083 153 HB3 LEU 16 3HB LEU 16 -5.216 4.500 4.228 154 HG LEU 16 HG LEU 16 -2.400 5.529 3.886 155 HD11 LEU 16 1HD1 LEU 16 -2.485 4.657 6.063 156 HD12 LEU 16 2HD1 LEU 16 -1.863 3.342 5.067 157 HD13 LEU 16 3HD1 LEU 16 -3.549 3.334 5.584 158 HD21 LEU 16 1HD2 LEU 16 -2.816 4.418 1.923 159 HD22 LEU 16 2HD2 LEU 16 -3.987 3.325 2.660 160 HD23 LEU 16 3HD2 LEU 16 -2.262 3.087 2.939 161 H VAL 17 H VAL 17 -4.768 8.492 4.178 162 HA VAL 17 HA VAL 17 -7.308 8.739 5.343 163 HB VAL 17 HB VAL 17 -5.395 10.941 4.557 164 HG11 VAL 17 1HG1 VAL 17 -6.884 11.606 6.855 165 HG12 VAL 17 2HG1 VAL 17 -6.948 12.362 5.262 166 HG13 VAL 17 3HG1 VAL 17 -8.034 11.028 5.651 167 HG21 VAL 17 1HG2 VAL 17 -5.577 9.128 6.922 168 HG22 VAL 17 2HG2 VAL 17 -4.157 9.654 6.017 169 HG23 VAL 17 3HG2 VAL 17 -4.960 10.767 7.125 Start of MODEL 11 1 H1 GLU 1 H GLU 1 3.384 0.691 0.227 2 HA GLU 1 HA GLU 1 4.117 -1.143 -1.960 3 HB2 GLU 1 2HB GLU 1 2.877 1.608 -2.131 4 HB3 GLU 1 3HB GLU 1 3.454 0.688 -3.514 5 HG2 GLU 1 2HG GLU 1 1.778 -1.090 -2.278 6 HG3 GLU 1 3HG GLU 1 0.972 0.455 -2.009 7 H PHE 2 H PHE 2 4.553 2.347 -1.450 8 HA PHE 2 HA PHE 2 6.409 3.663 -1.400 9 HB2 PHE 2 2HB PHE 2 7.115 1.904 0.326 10 HB3 PHE 2 3HB PHE 2 8.075 1.189 -0.966 11 HD1 PHE 2 HD1 PHE 2 10.293 1.735 -0.949 12 HD2 PHE 2 HD2 PHE 2 7.464 4.602 0.427 13 HE1 PHE 2 HE1 PHE 2 12.126 3.301 -0.454 14 HE2 PHE 2 HE2 PHE 2 9.291 6.172 0.923 15 HZ PHE 2 HZ PHE 2 11.626 5.523 0.482 16 H LYS 3 H LYS 3 5.596 1.730 -3.751 17 HA LYS 3 HA LYS 3 7.949 2.366 -5.409 18 HB2 LYS 3 2HB LYS 3 7.521 0.388 -6.731 19 HB3 LYS 3 3HB LYS 3 7.663 -0.069 -5.039 20 HG2 LYS 3 2HG LYS 3 4.923 0.495 -5.682 21 HG3 LYS 3 3HG LYS 3 5.591 -0.688 -6.810 22 HD2 LYS 3 2HD LYS 3 6.309 -1.148 -4.005 23 HD3 LYS 3 3HD LYS 3 4.581 -1.272 -4.345 24 HE2 LYS 3 2HE LYS 3 6.570 -2.648 -6.106 25 HE3 LYS 3 3HE LYS 3 6.094 -3.374 -4.572 26 HZ1 LYS 3 1HZ LYS 3 4.410 -2.794 -6.929 27 HZ2 LYS 3 2HZ LYS 3 3.727 -3.036 -5.401 28 HZ3 LYS 3 3HZ LYS 3 4.632 -4.267 -6.127 29 H ARG 4 H ARG 4 4.644 2.832 -4.887 30 HA ARG 4 HA ARG 4 4.321 3.925 -7.605 31 HB2 ARG 4 2HB ARG 4 2.535 2.260 -5.945 32 HB3 ARG 4 3HB ARG 4 1.761 3.612 -6.761 33 HG2 ARG 4 2HG ARG 4 3.001 2.710 -8.860 34 HG3 ARG 4 3HG ARG 4 3.104 1.217 -7.924 35 HD2 ARG 4 2HD ARG 4 0.986 0.728 -8.383 36 HD3 ARG 4 3HD ARG 4 0.452 2.285 -7.754 37 HE ARG 4 HE ARG 4 0.303 3.073 -9.904 38 HH11 ARG 4 1HH1 ARG 4 2.063 0.069 -9.885 39 HH12 ARG 4 2HH1 ARG 4 2.073 -0.087 -11.611 40 HH21 ARG 4 1HH2 ARG 4 0.309 2.879 -12.177 41 HH22 ARG 4 2HH2 ARG 4 1.075 1.513 -12.913 42 H ILE 5 H ILE 5 5.010 5.993 -7.079 43 HA ILE 5 HA ILE 5 4.844 8.140 -6.341 44 HB ILE 5 HB ILE 5 1.983 7.631 -5.596 45 HG12 ILE 5 2HG1 ILE 5 1.886 8.424 -8.228 46 HG13 ILE 5 3HG1 ILE 5 3.239 7.298 -8.227 47 HG21 ILE 5 1HG2 ILE 5 3.650 9.950 -6.415 48 HG22 ILE 5 2HG2 ILE 5 1.944 9.950 -6.860 49 HG23 ILE 5 3HG2 ILE 5 2.412 9.831 -5.164 50 HD11 ILE 5 1HD1 ILE 5 0.431 6.764 -8.167 51 HD12 ILE 5 2HD1 ILE 5 1.781 5.645 -8.362 52 HD13 ILE 5 3HD1 ILE 5 1.209 6.064 -6.747 53 H VAL 6 H VAL 6 5.166 5.762 -4.399 54 HA VAL 6 HA VAL 6 4.648 7.302 -1.938 55 HB VAL 6 HB VAL 6 4.742 4.294 -2.212 56 HG11 VAL 6 1HG1 VAL 6 4.334 6.121 0.140 57 HG12 VAL 6 2HG1 VAL 6 3.822 4.432 0.151 58 HG13 VAL 6 3HG1 VAL 6 5.526 4.837 -0.057 59 HG21 VAL 6 1HG2 VAL 6 2.566 6.242 -2.418 60 HG22 VAL 6 2HG2 VAL 6 2.646 4.568 -2.966 61 HG23 VAL 6 3HG2 VAL 6 2.256 4.928 -1.284 62 H GLN 7 H GLN 7 6.976 5.897 -3.952 63 HA GLN 7 HA GLN 7 8.969 5.066 -2.211 64 HB2 GLN 7 2HB GLN 7 10.555 5.694 -4.054 65 HB3 GLN 7 3HB GLN 7 9.218 4.665 -4.552 66 HG2 GLN 7 2HG GLN 7 8.144 6.395 -5.679 67 HG3 GLN 7 3HG GLN 7 9.070 7.639 -4.841 68 HE21 GLN 7 1HE2 GLN 7 9.465 8.474 -6.983 69 HE22 GLN 7 2HE2 GLN 7 10.739 7.805 -7.938 70 H ARG 8 H ARG 8 7.928 8.281 -3.049 71 HA ARG 8 HA ARG 8 10.226 9.651 -2.075 72 HB2 ARG 8 2HB ARG 8 7.463 10.833 -2.209 73 HB3 ARG 8 3HB ARG 8 9.011 11.641 -2.417 74 HG2 ARG 8 2HG ARG 8 9.302 10.233 -4.505 75 HG3 ARG 8 3HG ARG 8 7.597 9.811 -4.329 76 HD2 ARG 8 2HD ARG 8 7.896 12.638 -4.058 77 HD3 ARG 8 3HD ARG 8 8.718 12.111 -5.526 78 HE ARG 8 HE ARG 8 6.202 10.893 -5.441 79 HH11 ARG 8 1HH1 ARG 8 7.603 14.062 -5.784 80 HH12 ARG 8 2HH1 ARG 8 6.293 14.681 -6.735 81 HH21 ARG 8 1HH2 ARG 8 4.473 11.696 -6.693 82 HH22 ARG 8 2HH2 ARG 8 4.513 13.334 -7.251 83 H ILE 9 H ILE 9 7.384 8.328 -0.602 84 HA ILE 9 HA ILE 9 6.921 7.963 1.613 85 HB ILE 9 HB ILE 9 9.631 8.544 1.715 86 HG12 ILE 9 2HG1 ILE 9 8.569 6.666 2.821 87 HG13 ILE 9 3HG1 ILE 9 9.476 7.594 4.010 88 HG21 ILE 9 1HG2 ILE 9 8.935 10.877 2.356 89 HG22 ILE 9 2HG2 ILE 9 8.278 10.188 3.840 90 HG23 ILE 9 3HG2 ILE 9 10.003 10.062 3.499 91 HD11 ILE 9 1HD1 ILE 9 7.496 8.532 4.908 92 HD12 ILE 9 2HD1 ILE 9 6.522 7.910 3.576 93 HD13 ILE 9 3HD1 ILE 9 7.225 6.797 4.749 94 H LYS 10 H LYS 10 7.127 10.930 0.075 95 HA LYS 10 HA LYS 10 6.458 12.834 1.944 96 HB2 LYS 10 2HB LYS 10 5.274 14.008 0.104 97 HB3 LYS 10 3HB LYS 10 6.869 13.430 -0.360 98 HG2 LYS 10 2HG LYS 10 5.709 12.764 -2.186 99 HG3 LYS 10 3HG LYS 10 5.455 11.339 -1.176 100 HD2 LYS 10 2HD LYS 10 3.260 11.654 -1.323 101 HD3 LYS 10 3HD LYS 10 3.443 13.208 -0.506 102 HE2 LYS 10 2HE LYS 10 4.140 13.189 -3.366 103 HE3 LYS 10 3HE LYS 10 2.439 12.901 -3.001 104 HZ1 LYS 10 1HZ LYS 10 2.708 14.953 -1.490 105 HZ2 LYS 10 2HZ LYS 10 2.550 15.184 -3.158 106 HZ3 LYS 10 3HZ LYS 10 4.075 15.283 -2.432 107 H ASP 11 H ASP 11 4.461 10.304 0.595 108 HA ASP 11 HA ASP 11 2.200 11.260 2.224 109 HB2 ASP 11 2HB ASP 11 2.341 9.927 -0.437 110 HB3 ASP 11 3HB ASP 11 0.977 9.531 0.605 111 H PHE 12 H PHE 12 2.812 8.088 0.779 112 HA PHE 12 HA PHE 12 3.086 6.016 1.693 113 HB2 PHE 12 2HB PHE 12 4.570 7.552 3.345 114 HB3 PHE 12 3HB PHE 12 3.358 6.974 4.484 115 HD1 PHE 12 HD1 PHE 12 6.146 6.036 2.321 116 HD2 PHE 12 HD2 PHE 12 3.218 4.634 5.074 117 HE1 PHE 12 HE1 PHE 12 7.376 3.917 2.544 118 HE2 PHE 12 HE2 PHE 12 4.444 2.513 5.302 119 HZ PHE 12 HZ PHE 12 6.526 2.153 4.037 120 H LEU 13 H LEU 13 1.590 7.842 4.365 121 HA LEU 13 HA LEU 13 -0.735 6.043 4.157 122 HB2 LEU 13 2HB LEU 13 0.081 7.431 6.684 123 HB3 LEU 13 3HB LEU 13 -0.974 6.034 6.483 124 HG LEU 13 HG LEU 13 1.987 5.949 5.941 125 HD11 LEU 13 1HD1 LEU 13 1.410 6.583 8.313 126 HD12 LEU 13 2HD1 LEU 13 2.351 5.105 8.117 127 HD13 LEU 13 3HD1 LEU 13 0.622 5.011 8.451 128 HD21 LEU 13 1HD2 LEU 13 0.025 3.739 6.533 129 HD22 LEU 13 2HD2 LEU 13 1.710 3.574 6.036 130 HD23 LEU 13 3HD2 LEU 13 0.517 4.220 4.908 131 H ARG 14 H ARG 14 0.338 9.191 3.837 132 HA ARG 14 HA ARG 14 -2.040 10.529 4.758 133 HB2 ARG 14 2HB ARG 14 0.473 11.371 3.366 134 HB3 ARG 14 3HB ARG 14 -0.912 12.454 3.375 135 HG2 ARG 14 2HG ARG 14 -0.355 11.404 6.013 136 HG3 ARG 14 3HG ARG 14 1.038 12.240 5.323 137 HD2 ARG 14 2HD ARG 14 -1.626 13.533 5.081 138 HD3 ARG 14 3HD ARG 14 -0.856 13.522 6.667 139 HE ARG 14 HE ARG 14 1.105 14.413 5.029 140 HH11 ARG 14 1HH1 ARG 14 -2.195 15.381 5.569 141 HH12 ARG 14 2HH1 ARG 14 -1.907 17.046 5.187 142 HH21 ARG 14 1HH2 ARG 14 1.497 16.603 4.522 143 HH22 ARG 14 2HH2 ARG 14 0.194 17.739 4.590 144 H ASN 15 H ASN 15 -1.378 8.654 2.116 145 HA ASN 15 HA ASN 15 -2.781 10.161 0.112 146 HB2 ASN 15 2HB ASN 15 -0.963 8.207 -0.080 147 HB3 ASN 15 3HB ASN 15 -2.420 7.222 -0.179 148 HD21 ASN 15 1HD2 ASN 15 -3.593 7.214 -2.014 149 HD22 ASN 15 2HD2 ASN 15 -3.185 8.114 -3.432 150 H LEU 16 H LEU 16 -3.787 8.513 2.796 151 HA LEU 16 HA LEU 16 -6.346 7.734 1.570 152 HB2 LEU 16 2HB LEU 16 -6.668 6.196 3.321 153 HB3 LEU 16 3HB LEU 16 -4.995 6.003 2.801 154 HG LEU 16 HG LEU 16 -4.679 7.755 4.837 155 HD11 LEU 16 1HD1 LEU 16 -6.841 5.906 5.804 156 HD12 LEU 16 2HD1 LEU 16 -7.163 7.559 5.281 157 HD13 LEU 16 3HD1 LEU 16 -6.096 7.260 6.653 158 HD21 LEU 16 1HD2 LEU 16 -3.412 5.715 4.520 159 HD22 LEU 16 2HD2 LEU 16 -4.802 4.745 5.007 160 HD23 LEU 16 3HD2 LEU 16 -4.009 5.801 6.177 161 H VAL 17 H VAL 17 -4.842 9.659 4.075 162 HA VAL 17 HA VAL 17 -7.476 10.695 4.873 163 HB VAL 17 HB VAL 17 -6.175 9.879 6.743 164 HG11 VAL 17 1HG1 VAL 17 -4.020 10.926 7.343 165 HG12 VAL 17 2HG1 VAL 17 -3.949 10.046 5.815 166 HG13 VAL 17 3HG1 VAL 17 -4.049 11.807 5.815 167 HG21 VAL 17 1HG2 VAL 17 -7.028 11.528 7.960 168 HG22 VAL 17 2HG2 VAL 17 -5.721 12.605 7.466 169 HG23 VAL 17 3HG2 VAL 17 -7.191 12.501 6.498 Start of MODEL 12 1 H1 GLU 1 H GLU 1 2.312 1.343 0.179 2 HA GLU 1 HA GLU 1 3.294 -1.110 -0.487 3 HB2 GLU 1 2HB GLU 1 2.738 0.347 -3.065 4 HB3 GLU 1 3HB GLU 1 3.337 -1.292 -2.854 5 HG2 GLU 1 2HG GLU 1 1.120 -1.831 -1.776 6 HG3 GLU 1 3HG GLU 1 0.565 -0.259 -2.348 7 H PHE 2 H PHE 2 3.386 2.318 -1.186 8 HA PHE 2 HA PHE 2 5.089 3.827 -1.189 9 HB2 PHE 2 2HB PHE 2 5.737 2.556 0.898 10 HB3 PHE 2 3HB PHE 2 6.842 1.621 -0.103 11 HD1 PHE 2 HD1 PHE 2 6.070 5.255 -0.197 12 HD2 PHE 2 HD2 PHE 2 8.959 2.235 0.610 13 HE1 PHE 2 HE1 PHE 2 7.793 6.987 0.097 14 HE2 PHE 2 HE2 PHE 2 10.686 3.962 0.906 15 HZ PHE 2 HZ PHE 2 10.104 6.341 0.650 16 H LYS 3 H LYS 3 4.746 1.506 -3.263 17 HA LYS 3 HA LYS 3 7.254 2.070 -4.707 18 HB2 LYS 3 2HB LYS 3 6.873 -0.123 -5.867 19 HB3 LYS 3 3HB LYS 3 7.248 -0.255 -4.154 20 HG2 LYS 3 2HG LYS 3 5.431 -1.483 -3.886 21 HG3 LYS 3 3HG LYS 3 4.448 -0.090 -4.343 22 HD2 LYS 3 2HD LYS 3 4.101 -0.858 -6.450 23 HD3 LYS 3 3HD LYS 3 5.694 -1.611 -6.553 24 HE2 LYS 3 2HE LYS 3 4.354 -3.045 -4.580 25 HE3 LYS 3 3HE LYS 3 3.143 -2.769 -5.831 26 HZ1 LYS 3 1HZ LYS 3 4.116 -4.671 -6.588 27 HZ2 LYS 3 2HZ LYS 3 5.644 -4.291 -5.969 28 HZ3 LYS 3 3HZ LYS 3 5.089 -3.533 -7.376 29 H ARG 4 H ARG 4 3.988 2.626 -4.623 30 HA ARG 4 HA ARG 4 3.598 2.655 -7.509 31 HB2 ARG 4 2HB ARG 4 1.292 3.458 -6.884 32 HB3 ARG 4 3HB ARG 4 1.718 1.861 -6.283 33 HG2 ARG 4 2HG ARG 4 1.264 2.497 -4.217 34 HG3 ARG 4 3HG ARG 4 2.464 3.786 -4.328 35 HD2 ARG 4 2HD ARG 4 0.193 4.598 -3.755 36 HD3 ARG 4 3HD ARG 4 0.834 5.297 -5.241 37 HE ARG 4 HE ARG 4 -0.632 3.099 -6.016 38 HH11 ARG 4 1HH1 ARG 4 -1.235 6.069 -4.304 39 HH12 ARG 4 2HH1 ARG 4 -2.884 6.186 -4.823 40 HH21 ARG 4 1HH2 ARG 4 -2.801 3.241 -6.706 41 HH22 ARG 4 2HH2 ARG 4 -3.774 4.576 -6.188 42 H ILE 5 H ILE 5 5.548 4.320 -7.219 43 HA ILE 5 HA ILE 5 6.236 6.437 -7.704 44 HB ILE 5 HB ILE 5 3.378 7.347 -7.854 45 HG12 ILE 5 2HG1 ILE 5 3.368 5.313 -9.124 46 HG13 ILE 5 3HG1 ILE 5 3.454 6.646 -10.271 47 HG21 ILE 5 1HG2 ILE 5 6.010 8.260 -8.856 48 HG22 ILE 5 2HG2 ILE 5 4.615 8.516 -9.904 49 HG23 ILE 5 3HG2 ILE 5 4.630 9.192 -8.275 50 HD11 ILE 5 1HD1 ILE 5 5.868 6.279 -10.486 51 HD12 ILE 5 2HD1 ILE 5 5.744 4.913 -9.377 52 HD13 ILE 5 3HD1 ILE 5 4.927 4.857 -10.939 53 H VAL 6 H VAL 6 5.108 5.498 -4.961 54 HA VAL 6 HA VAL 6 4.744 8.130 -3.719 55 HB VAL 6 HB VAL 6 4.448 5.436 -2.395 56 HG11 VAL 6 1HG1 VAL 6 4.516 6.853 -0.629 57 HG12 VAL 6 2HG1 VAL 6 4.021 8.249 -1.588 58 HG13 VAL 6 3HG1 VAL 6 2.819 7.075 -1.050 59 HG21 VAL 6 1HG2 VAL 6 2.251 7.137 -3.564 60 HG22 VAL 6 2HG2 VAL 6 2.917 5.701 -4.342 61 HG23 VAL 6 3HG2 VAL 6 2.085 5.559 -2.794 62 H GLN 7 H GLN 7 7.255 6.280 -4.545 63 HA GLN 7 HA GLN 7 8.790 5.863 -2.273 64 HB2 GLN 7 2HB GLN 7 9.954 6.793 -4.891 65 HB3 GLN 7 3HB GLN 7 10.672 5.711 -3.705 66 HG2 GLN 7 2HG GLN 7 8.787 4.107 -4.234 67 HG3 GLN 7 3HG GLN 7 8.425 5.147 -5.610 68 HE21 GLN 7 1HE2 GLN 7 9.087 4.110 -7.355 69 HE22 GLN 7 2HE2 GLN 7 10.637 3.378 -7.571 70 H ARG 8 H ARG 8 7.969 8.813 -3.873 71 HA ARG 8 HA ARG 8 10.083 10.442 -2.972 72 HB2 ARG 8 2HB ARG 8 8.750 11.322 -4.704 73 HB3 ARG 8 3HB ARG 8 7.257 11.015 -3.827 74 HG2 ARG 8 2HG ARG 8 7.762 13.386 -3.880 75 HG3 ARG 8 3HG ARG 8 7.832 12.769 -2.228 76 HD2 ARG 8 2HD ARG 8 9.703 14.208 -2.523 77 HD3 ARG 8 3HD ARG 8 10.313 12.554 -2.515 78 HE ARG 8 HE ARG 8 9.768 13.517 -5.153 79 HH11 ARG 8 1HH1 ARG 8 12.103 13.511 -2.572 80 HH12 ARG 8 2HH1 ARG 8 13.454 13.797 -3.618 81 HH21 ARG 8 1HH2 ARG 8 11.538 13.893 -6.541 82 HH22 ARG 8 2HH2 ARG 8 13.132 14.015 -5.876 83 H ILE 9 H ILE 9 7.544 8.961 -1.288 84 HA ILE 9 HA ILE 9 6.881 9.019 0.888 85 HB ILE 9 HB ILE 9 9.159 10.892 1.477 86 HG12 ILE 9 2HG1 ILE 9 9.977 8.239 1.975 87 HG13 ILE 9 3HG1 ILE 9 9.307 8.246 0.347 88 HG21 ILE 9 1HG2 ILE 9 7.301 9.251 3.018 89 HG22 ILE 9 2HG2 ILE 9 8.989 9.036 3.482 90 HG23 ILE 9 3HG2 ILE 9 8.264 10.643 3.512 91 HD11 ILE 9 1HD1 ILE 9 10.803 10.158 -0.184 92 HD12 ILE 9 2HD1 ILE 9 11.547 9.948 1.401 93 HD13 ILE 9 3HD1 ILE 9 11.646 8.658 0.203 94 H LYS 10 H LYS 10 6.518 11.405 -1.150 95 HA LYS 10 HA LYS 10 6.078 13.760 0.242 96 HB2 LYS 10 2HB LYS 10 4.518 14.357 -1.559 97 HB3 LYS 10 3HB LYS 10 5.989 13.631 -2.193 98 HG2 LYS 10 2HG LYS 10 4.308 11.473 -1.868 99 HG3 LYS 10 3HG LYS 10 3.231 12.758 -2.420 100 HD2 LYS 10 2HD LYS 10 5.800 12.531 -3.852 101 HD3 LYS 10 3HD LYS 10 4.676 11.188 -4.074 102 HE2 LYS 10 2HE LYS 10 3.296 12.415 -5.338 103 HE3 LYS 10 3HE LYS 10 3.392 13.799 -4.250 104 HZ1 LYS 10 1HZ LYS 10 5.253 14.622 -5.331 105 HZ2 LYS 10 2HZ LYS 10 4.306 14.046 -6.609 106 HZ3 LYS 10 3HZ LYS 10 5.627 13.142 -6.061 107 H ASP 11 H ASP 11 4.055 10.903 -0.029 108 HA ASP 11 HA ASP 11 2.184 12.123 1.894 109 HB2 ASP 11 2HB ASP 11 1.677 10.349 -0.473 110 HB3 ASP 11 3HB ASP 11 0.555 10.353 0.886 111 H PHE 12 H PHE 12 2.600 8.800 0.714 112 HA PHE 12 HA PHE 12 3.137 6.859 1.784 113 HB2 PHE 12 2HB PHE 12 4.837 8.605 2.930 114 HB3 PHE 12 3HB PHE 12 3.883 8.160 4.342 115 HD1 PHE 12 HD1 PHE 12 3.438 5.492 4.447 116 HD2 PHE 12 HD2 PHE 12 6.759 7.414 2.604 117 HE1 PHE 12 HE1 PHE 12 4.763 3.434 4.696 118 HE2 PHE 12 HE2 PHE 12 8.089 5.359 2.850 119 HZ PHE 12 HZ PHE 12 7.092 3.365 3.896 120 H LEU 13 H LEU 13 2.092 8.943 4.480 121 HA LEU 13 HA LEU 13 -0.058 7.006 5.017 122 HB2 LEU 13 2HB LEU 13 0.889 9.032 7.001 123 HB3 LEU 13 3HB LEU 13 0.092 7.485 7.283 124 HG LEU 13 HG LEU 13 2.936 7.801 6.326 125 HD11 LEU 13 1HD1 LEU 13 3.631 7.273 8.550 126 HD12 LEU 13 2HD1 LEU 13 1.963 7.045 9.074 127 HD13 LEU 13 3HD1 LEU 13 2.536 8.653 8.634 128 HD21 LEU 13 1HD2 LEU 13 1.625 5.698 5.740 129 HD22 LEU 13 2HD2 LEU 13 1.622 5.353 7.470 130 HD23 LEU 13 3HD2 LEU 13 3.150 5.478 6.597 131 H ARG 14 H ARG 14 0.486 10.001 3.717 132 HA ARG 14 HA ARG 14 -1.948 11.241 4.722 133 HB2 ARG 14 2HB ARG 14 0.245 12.164 2.876 134 HB3 ARG 14 3HB ARG 14 -1.237 13.085 3.091 135 HG2 ARG 14 2HG ARG 14 0.570 12.299 5.362 136 HG3 ARG 14 3HG ARG 14 0.699 13.827 4.488 137 HD2 ARG 14 2HD ARG 14 -1.215 14.664 5.393 138 HD3 ARG 14 3HD ARG 14 -1.972 13.078 5.530 139 HE ARG 14 HE ARG 14 0.119 13.107 7.339 140 HH11 ARG 14 1HH1 ARG 14 -2.830 14.878 6.804 141 HH12 ARG 14 2HH1 ARG 14 -3.072 15.237 8.481 142 HH21 ARG 14 1HH2 ARG 14 -0.189 13.573 9.550 143 HH22 ARG 14 2HH2 ARG 14 -1.569 14.495 10.042 144 H ASN 15 H ASN 15 -1.485 8.863 2.657 145 HA ASN 15 HA ASN 15 -3.517 9.824 0.751 146 HB2 ASN 15 2HB ASN 15 -1.097 9.183 -0.054 147 HB3 ASN 15 3HB ASN 15 -1.701 7.535 0.094 148 HD21 ASN 15 1HD2 ASN 15 -1.452 7.291 -2.157 149 HD22 ASN 15 2HD2 ASN 15 -2.602 7.960 -3.259 150 H LEU 16 H LEU 16 -3.294 8.100 3.422 151 HA LEU 16 HA LEU 16 -5.111 5.974 2.496 152 HB2 LEU 16 2HB LEU 16 -3.553 4.676 3.455 153 HB3 LEU 16 3HB LEU 16 -2.885 6.005 4.400 154 HG LEU 16 HG LEU 16 -4.746 5.718 6.020 155 HD11 LEU 16 1HD1 LEU 16 -5.631 3.841 3.977 156 HD12 LEU 16 2HD1 LEU 16 -6.538 4.620 5.272 157 HD13 LEU 16 3HD1 LEU 16 -5.619 3.151 5.600 158 HD21 LEU 16 1HD2 LEU 16 -2.658 4.734 6.578 159 HD22 LEU 16 2HD2 LEU 16 -2.921 3.387 5.471 160 HD23 LEU 16 3HD2 LEU 16 -3.900 3.532 6.931 161 H VAL 17 H VAL 17 -7.159 6.151 3.101 162 HA VAL 17 HA VAL 17 -7.955 8.173 5.000 163 HB VAL 17 HB VAL 17 -9.246 7.749 2.921 164 HG11 VAL 17 1HG1 VAL 17 -10.106 5.203 4.290 165 HG12 VAL 17 2HG1 VAL 17 -10.664 5.806 2.728 166 HG13 VAL 17 3HG1 VAL 17 -8.989 5.288 2.929 167 HG21 VAL 17 1HG2 VAL 17 -11.254 8.311 3.873 168 HG22 VAL 17 2HG2 VAL 17 -11.101 7.121 5.166 169 HG23 VAL 17 3HG2 VAL 17 -10.167 8.615 5.229 Start of MODEL 13 1 H1 GLU 1 H GLU 1 2.311 -0.304 -0.404 2 HA GLU 1 HA GLU 1 4.248 -1.510 -2.013 3 HB2 GLU 1 2HB GLU 1 2.594 0.954 -2.595 4 HB3 GLU 1 3HB GLU 1 3.453 -0.002 -3.794 5 HG2 GLU 1 2HG GLU 1 1.625 -1.549 -2.117 6 HG3 GLU 1 3HG GLU 1 0.842 -0.320 -3.108 7 H PHE 2 H PHE 2 3.934 2.018 -1.667 8 HA PHE 2 HA PHE 2 5.482 3.676 -1.486 9 HB2 PHE 2 2HB PHE 2 6.297 2.149 0.404 10 HB3 PHE 2 3HB PHE 2 7.527 1.597 -0.728 11 HD1 PHE 2 HD1 PHE 2 6.115 4.958 0.067 12 HD2 PHE 2 HD2 PHE 2 9.567 2.478 -0.162 13 HE1 PHE 2 HE1 PHE 2 7.529 6.876 0.679 14 HE2 PHE 2 HE2 PHE 2 10.986 4.392 0.450 15 HZ PHE 2 HZ PHE 2 9.968 6.594 0.873 16 H LYS 3 H LYS 3 5.335 1.571 -3.812 17 HA LYS 3 HA LYS 3 7.730 2.569 -5.211 18 HB2 LYS 3 2HB LYS 3 7.788 0.521 -6.498 19 HB3 LYS 3 3HB LYS 3 7.805 0.130 -4.783 20 HG2 LYS 3 2HG LYS 3 5.112 0.224 -5.850 21 HG3 LYS 3 3HG LYS 3 6.132 -0.938 -6.701 22 HD2 LYS 3 2HD LYS 3 6.475 -1.034 -3.810 23 HD3 LYS 3 3HD LYS 3 4.817 -1.370 -4.315 24 HE2 LYS 3 2HE LYS 3 5.420 -3.251 -5.503 25 HE3 LYS 3 3HE LYS 3 7.078 -2.700 -5.737 26 HZ1 LYS 3 1HZ LYS 3 7.254 -4.392 -4.177 27 HZ2 LYS 3 2HZ LYS 3 5.864 -3.919 -3.338 28 HZ3 LYS 3 3HZ LYS 3 7.277 -2.995 -3.222 29 H ARG 4 H ARG 4 4.407 2.683 -5.043 30 HA ARG 4 HA ARG 4 4.030 3.113 -7.911 31 HB2 ARG 4 2HB ARG 4 1.617 3.254 -7.327 32 HB3 ARG 4 3HB ARG 4 2.358 1.728 -6.864 33 HG2 ARG 4 2HG ARG 4 1.917 2.046 -4.703 34 HG3 ARG 4 3HG ARG 4 2.446 3.729 -4.750 35 HD2 ARG 4 2HD ARG 4 -0.119 3.057 -6.081 36 HD3 ARG 4 3HD ARG 4 -0.088 3.032 -4.318 37 HE ARG 4 HE ARG 4 1.079 5.415 -5.327 38 HH11 ARG 4 1HH1 ARG 4 -1.983 3.851 -4.778 39 HH12 ARG 4 2HH1 ARG 4 -2.861 5.336 -4.620 40 HH21 ARG 4 1HH2 ARG 4 -0.067 7.377 -5.121 41 HH22 ARG 4 2HH2 ARG 4 -1.770 7.341 -4.817 42 H ILE 5 H ILE 5 5.573 5.046 -7.342 43 HA ILE 5 HA ILE 5 5.809 7.311 -7.423 44 HB ILE 5 HB ILE 5 2.826 7.639 -7.321 45 HG12 ILE 5 2HG1 ILE 5 3.128 5.932 -8.976 46 HG13 ILE 5 3HG1 ILE 5 2.891 7.451 -9.833 47 HG21 ILE 5 1HG2 ILE 5 5.164 9.243 -8.169 48 HG22 ILE 5 2HG2 ILE 5 3.689 9.408 -9.121 49 HG23 ILE 5 3HG2 ILE 5 3.663 9.746 -7.391 50 HD11 ILE 5 1HD1 ILE 5 4.637 6.161 -10.877 51 HD12 ILE 5 2HD1 ILE 5 5.318 7.619 -10.156 52 HD13 ILE 5 3HD1 ILE 5 5.515 6.062 -9.351 53 H VAL 6 H VAL 6 5.022 5.655 -4.896 54 HA VAL 6 HA VAL 6 4.342 7.922 -3.152 55 HB VAL 6 HB VAL 6 4.324 4.983 -2.458 56 HG11 VAL 6 1HG1 VAL 6 4.047 7.408 -0.913 57 HG12 VAL 6 2HG1 VAL 6 2.606 6.397 -0.786 58 HG13 VAL 6 3HG1 VAL 6 4.188 5.737 -0.368 59 HG21 VAL 6 1HG2 VAL 6 2.676 5.625 -4.226 60 HG22 VAL 6 2HG2 VAL 6 1.950 5.007 -2.743 61 HG23 VAL 6 3HG2 VAL 6 1.953 6.741 -3.068 62 H GLN 7 H GLN 7 6.968 6.182 -4.230 63 HA GLN 7 HA GLN 7 8.546 5.695 -2.021 64 HB2 GLN 7 2HB GLN 7 10.490 6.234 -3.597 65 HB3 GLN 7 3HB GLN 7 9.381 4.962 -4.091 66 HG2 GLN 7 2HG GLN 7 8.551 7.560 -5.062 67 HG3 GLN 7 3HG GLN 7 10.177 7.136 -5.594 68 HE21 GLN 7 1HE2 GLN 7 10.286 6.044 -7.410 69 HE22 GLN 7 2HE2 GLN 7 9.052 5.031 -8.071 70 H ARG 8 H ARG 8 7.653 8.731 -3.442 71 HA ARG 8 HA ARG 8 9.672 10.393 -2.485 72 HB2 ARG 8 2HB ARG 8 6.775 11.209 -2.595 73 HB3 ARG 8 3HB ARG 8 8.199 12.206 -2.864 74 HG2 ARG 8 2HG ARG 8 7.106 10.063 -4.668 75 HG3 ARG 8 3HG ARG 8 7.157 11.801 -4.968 76 HD2 ARG 8 2HD ARG 8 9.481 9.893 -4.800 77 HD3 ARG 8 3HD ARG 8 8.925 10.786 -6.214 78 HE ARG 8 HE ARG 8 10.603 11.763 -4.098 79 HH11 ARG 8 1HH1 ARG 8 8.340 12.649 -6.591 80 HH12 ARG 8 2HH1 ARG 8 8.938 14.268 -6.740 81 HH21 ARG 8 1HH2 ARG 8 11.398 13.892 -4.284 82 HH22 ARG 8 2HH2 ARG 8 10.678 14.974 -5.427 83 H ILE 9 H ILE 9 7.075 8.829 -0.816 84 HA ILE 9 HA ILE 9 6.750 8.548 1.436 85 HB ILE 9 HB ILE 9 9.354 9.499 1.386 86 HG12 ILE 9 2HG1 ILE 9 8.612 7.575 2.653 87 HG13 ILE 9 3HG1 ILE 9 9.405 8.703 3.747 88 HG21 ILE 9 1HG2 ILE 9 8.364 11.755 1.907 89 HG22 ILE 9 2HG2 ILE 9 7.858 11.086 3.458 90 HG23 ILE 9 3HG2 ILE 9 9.572 11.173 3.053 91 HD11 ILE 9 1HD1 ILE 9 7.315 9.426 4.627 92 HD12 ILE 9 2HD1 ILE 9 6.426 8.524 3.400 93 HD13 ILE 9 3HD1 ILE 9 7.334 7.663 4.642 94 H LYS 10 H LYS 10 6.487 11.405 -0.291 95 HA LYS 10 HA LYS 10 5.629 13.328 1.472 96 HB2 LYS 10 2HB LYS 10 4.376 14.296 -0.345 97 HB3 LYS 10 3HB LYS 10 5.868 13.622 -0.987 98 HG2 LYS 10 2HG LYS 10 4.141 11.528 -1.261 99 HG3 LYS 10 3HG LYS 10 3.090 12.917 -1.548 100 HD2 LYS 10 2HD LYS 10 5.717 12.997 -2.886 101 HD3 LYS 10 3HD LYS 10 4.603 11.752 -3.456 102 HE2 LYS 10 2HE LYS 10 2.971 13.343 -4.051 103 HE3 LYS 10 3HE LYS 10 3.769 14.621 -3.137 104 HZ1 LYS 10 1HZ LYS 10 5.572 14.612 -4.713 105 HZ2 LYS 10 2HZ LYS 10 4.111 14.829 -5.538 106 HZ3 LYS 10 3HZ LYS 10 4.882 13.323 -5.565 107 H ASP 11 H ASP 11 3.937 10.465 0.385 108 HA ASP 11 HA ASP 11 1.686 11.183 2.147 109 HB2 ASP 11 2HB ASP 11 1.764 9.795 -0.504 110 HB3 ASP 11 3HB ASP 11 0.489 9.387 0.640 111 H PHE 12 H PHE 12 2.601 8.114 0.627 112 HA PHE 12 HA PHE 12 3.188 6.091 1.502 113 HB2 PHE 12 2HB PHE 12 4.615 7.720 3.031 114 HB3 PHE 12 3HB PHE 12 3.478 7.188 4.264 115 HD1 PHE 12 HD1 PHE 12 6.516 6.483 2.640 116 HD2 PHE 12 HD2 PHE 12 3.158 4.605 4.460 117 HE1 PHE 12 HE1 PHE 12 7.844 4.439 2.974 118 HE2 PHE 12 HE2 PHE 12 4.481 2.559 4.797 119 HZ PHE 12 HZ PHE 12 6.828 2.474 4.055 120 H LEU 13 H LEU 13 1.604 7.690 4.267 121 HA LEU 13 HA LEU 13 -0.417 5.548 4.219 122 HB2 LEU 13 2HB LEU 13 0.227 7.263 6.596 123 HB3 LEU 13 3HB LEU 13 -0.627 5.722 6.554 124 HG LEU 13 HG LEU 13 2.282 5.928 5.833 125 HD11 LEU 13 1HD1 LEU 13 2.921 5.535 8.066 126 HD12 LEU 13 2HD1 LEU 13 1.255 5.275 8.580 127 HD13 LEU 13 3HD1 LEU 13 1.794 6.891 8.123 128 HD21 LEU 13 1HD2 LEU 13 0.861 3.900 5.284 129 HD22 LEU 13 2HD2 LEU 13 0.748 3.632 7.024 130 HD23 LEU 13 3HD2 LEU 13 2.322 3.605 6.227 131 H ARG 14 H ARG 14 0.090 8.832 3.702 132 HA ARG 14 HA ARG 14 -2.579 9.673 4.474 133 HB2 ARG 14 2HB ARG 14 -0.332 11.164 3.108 134 HB3 ARG 14 3HB ARG 14 -1.861 11.883 3.594 135 HG2 ARG 14 2HG ARG 14 -1.253 12.033 5.746 136 HG3 ARG 14 3HG ARG 14 -0.441 10.466 5.732 137 HD2 ARG 14 2HD ARG 14 1.555 11.355 5.024 138 HD3 ARG 14 3HD ARG 14 0.785 12.733 4.239 139 HE ARG 14 HE ARG 14 1.765 12.629 6.896 140 HH11 ARG 14 1HH1 ARG 14 -0.823 13.932 4.965 141 HH12 ARG 14 2HH1 ARG 14 -1.094 15.288 6.009 142 HH21 ARG 14 1HH2 ARG 14 1.417 14.410 8.278 143 HH22 ARG 14 2HH2 ARG 14 0.181 15.559 7.893 144 H ASN 15 H ASN 15 -1.577 7.840 2.065 145 HA ASN 15 HA ASN 15 -2.704 9.164 -0.217 146 HB2 ASN 15 2HB ASN 15 -0.903 7.531 -0.491 147 HB3 ASN 15 3HB ASN 15 -1.921 6.269 0.198 148 HD21 ASN 15 1HD2 ASN 15 -3.174 5.126 -1.118 149 HD22 ASN 15 2HD2 ASN 15 -3.460 5.483 -2.785 150 H LEU 16 H LEU 16 -4.075 7.755 2.444 151 HA LEU 16 HA LEU 16 -6.465 6.883 0.966 152 HB2 LEU 16 2HB LEU 16 -7.093 5.721 3.055 153 HB3 LEU 16 3HB LEU 16 -5.586 5.142 2.349 154 HG LEU 16 HG LEU 16 -4.681 6.994 4.135 155 HD11 LEU 16 1HD1 LEU 16 -5.863 6.592 6.237 156 HD12 LEU 16 2HD1 LEU 16 -7.077 5.649 5.375 157 HD13 LEU 16 3HD1 LEU 16 -6.905 7.373 5.047 158 HD21 LEU 16 1HD2 LEU 16 -4.147 4.481 3.660 159 HD22 LEU 16 2HD2 LEU 16 -5.189 4.201 5.056 160 HD23 LEU 16 3HD2 LEU 16 -3.741 5.197 5.220 161 H VAL 17 H VAL 17 -5.270 9.029 3.456 162 HA VAL 17 HA VAL 17 -7.813 9.926 4.369 163 HB VAL 17 HB VAL 17 -5.150 11.343 4.542 164 HG11 VAL 17 1HG1 VAL 17 -6.482 13.016 5.239 165 HG12 VAL 17 2HG1 VAL 17 -7.847 11.940 5.545 166 HG13 VAL 17 3HG1 VAL 17 -6.553 12.086 6.735 167 HG21 VAL 17 1HG2 VAL 17 -5.056 9.110 5.529 168 HG22 VAL 17 2HG2 VAL 17 -4.976 10.358 6.772 169 HG23 VAL 17 3HG2 VAL 17 -6.479 9.476 6.504 Start of MODEL 14 1 H1 GLU 1 H GLU 1 1.749 1.707 -0.978 2 HA GLU 1 HA GLU 1 3.289 -0.710 -0.638 3 HB2 GLU 1 2HB GLU 1 2.907 0.822 -3.205 4 HB3 GLU 1 3HB GLU 1 3.261 -0.889 -3.007 5 HG2 GLU 1 2HG GLU 1 1.029 -1.168 -1.955 6 HG3 GLU 1 3HG GLU 1 0.686 0.517 -2.344 7 H PHE 2 H PHE 2 3.888 2.664 -1.365 8 HA PHE 2 HA PHE 2 5.803 3.896 -1.357 9 HB2 PHE 2 2HB PHE 2 6.297 2.344 0.642 10 HB3 PHE 2 3HB PHE 2 7.340 1.464 -0.471 11 HD1 PHE 2 HD1 PHE 2 6.768 4.762 1.099 12 HD2 PHE 2 HD2 PHE 2 9.490 2.247 -0.995 13 HE1 PHE 2 HE1 PHE 2 8.585 6.358 1.550 14 HE2 PHE 2 HE2 PHE 2 11.312 3.838 -0.546 15 HZ PHE 2 HZ PHE 2 10.861 5.897 0.729 16 H LYS 3 H LYS 3 5.060 1.632 -3.440 17 HA LYS 3 HA LYS 3 7.531 1.953 -5.015 18 HB2 LYS 3 2HB LYS 3 7.032 -0.199 -6.088 19 HB3 LYS 3 3HB LYS 3 7.237 -0.378 -4.351 20 HG2 LYS 3 2HG LYS 3 5.344 -1.551 -4.441 21 HG3 LYS 3 3HG LYS 3 4.545 0.018 -4.565 22 HD2 LYS 3 2HD LYS 3 3.667 -1.249 -6.337 23 HD3 LYS 3 3HD LYS 3 4.875 -0.203 -7.086 24 HE2 LYS 3 2HE LYS 3 6.494 -2.156 -6.775 25 HE3 LYS 3 3HE LYS 3 5.063 -3.135 -6.454 26 HZ1 LYS 3 1HZ LYS 3 6.101 -2.235 -8.943 27 HZ2 LYS 3 2HZ LYS 3 4.494 -1.742 -8.754 28 HZ3 LYS 3 3HZ LYS 3 4.894 -3.382 -8.638 29 H ARG 4 H ARG 4 4.315 2.759 -4.762 30 HA ARG 4 HA ARG 4 4.008 3.081 -7.671 31 HB2 ARG 4 2HB ARG 4 1.584 3.381 -7.170 32 HB3 ARG 4 3HB ARG 4 2.207 1.797 -6.728 33 HG2 ARG 4 2HG ARG 4 2.032 2.206 -4.471 34 HG3 ARG 4 3HG ARG 4 2.105 3.957 -4.676 35 HD2 ARG 4 2HD ARG 4 -0.166 3.283 -6.060 36 HD3 ARG 4 3HD ARG 4 -0.192 2.153 -4.708 37 HE ARG 4 HE ARG 4 -0.568 3.912 -3.272 38 HH11 ARG 4 1HH1 ARG 4 0.294 5.118 -6.422 39 HH12 ARG 4 2HH1 ARG 4 -0.126 6.758 -6.053 40 HH21 ARG 4 1HH2 ARG 4 -1.125 6.067 -2.774 41 HH22 ARG 4 2HH2 ARG 4 -0.933 7.297 -3.978 42 H ILE 5 H ILE 5 5.632 4.910 -7.068 43 HA ILE 5 HA ILE 5 6.014 7.155 -7.098 44 HB ILE 5 HB ILE 5 3.057 7.674 -7.085 45 HG12 ILE 5 2HG1 ILE 5 3.300 5.957 -8.741 46 HG13 ILE 5 3HG1 ILE 5 3.178 7.493 -9.592 47 HG21 ILE 5 1HG2 ILE 5 5.519 9.124 -7.858 48 HG22 ILE 5 2HG2 ILE 5 4.083 9.393 -8.844 49 HG23 ILE 5 3HG2 ILE 5 4.037 9.721 -7.112 50 HD11 ILE 5 1HD1 ILE 5 4.870 6.097 -10.597 51 HD12 ILE 5 2HD1 ILE 5 5.615 7.515 -9.858 52 HD13 ILE 5 3HD1 ILE 5 5.703 5.951 -9.050 53 H VAL 6 H VAL 6 5.032 5.526 -4.618 54 HA VAL 6 HA VAL 6 4.392 7.795 -2.869 55 HB VAL 6 HB VAL 6 4.293 4.838 -2.256 56 HG11 VAL 6 1HG1 VAL 6 4.490 5.731 -0.169 57 HG12 VAL 6 2HG1 VAL 6 3.818 7.290 -0.651 58 HG13 VAL 6 3HG1 VAL 6 2.749 5.912 -0.387 59 HG21 VAL 6 1HG2 VAL 6 1.949 6.679 -2.644 60 HG22 VAL 6 2HG2 VAL 6 2.641 5.740 -3.967 61 HG23 VAL 6 3HG2 VAL 6 1.958 4.917 -2.565 62 H GLN 7 H GLN 7 6.989 5.894 -3.851 63 HA GLN 7 HA GLN 7 8.499 5.480 -1.576 64 HB2 GLN 7 2HB GLN 7 10.495 5.810 -3.143 65 HB3 GLN 7 3HB GLN 7 9.333 4.562 -3.572 66 HG2 GLN 7 2HG GLN 7 8.591 5.679 -5.404 67 HG3 GLN 7 3HG GLN 7 8.916 7.265 -4.707 68 HE21 GLN 7 1HE2 GLN 7 11.303 7.712 -4.368 69 HE22 GLN 7 2HE2 GLN 7 12.358 7.262 -5.659 70 H ARG 8 H ARG 8 7.774 8.448 -3.216 71 HA ARG 8 HA ARG 8 9.861 10.071 -2.328 72 HB2 ARG 8 2HB ARG 8 7.020 11.034 -2.578 73 HB3 ARG 8 3HB ARG 8 8.506 11.920 -2.895 74 HG2 ARG 8 2HG ARG 8 8.908 10.298 -4.795 75 HG3 ARG 8 3HG ARG 8 7.245 9.759 -4.553 76 HD2 ARG 8 2HD ARG 8 6.389 11.593 -5.516 77 HD3 ARG 8 3HD ARG 8 7.532 12.663 -4.704 78 HE ARG 8 HE ARG 8 8.795 11.172 -6.769 79 HH11 ARG 8 1HH1 ARG 8 6.712 13.900 -6.188 80 HH12 ARG 8 2HH1 ARG 8 7.175 14.728 -7.638 81 HH21 ARG 8 1HH2 ARG 8 9.413 12.252 -8.681 82 HH22 ARG 8 2HH2 ARG 8 8.710 13.790 -9.056 83 H ILE 9 H ILE 9 7.231 8.683 -0.604 84 HA ILE 9 HA ILE 9 6.858 8.586 1.656 85 HB ILE 9 HB ILE 9 9.453 9.555 1.585 86 HG12 ILE 9 2HG1 ILE 9 8.696 7.738 2.994 87 HG13 ILE 9 3HG1 ILE 9 9.457 8.962 4.005 88 HG21 ILE 9 1HG2 ILE 9 8.430 11.837 1.891 89 HG22 ILE 9 2HG2 ILE 9 7.902 11.297 3.484 90 HG23 ILE 9 3HG2 ILE 9 9.622 11.368 3.103 91 HD11 ILE 9 1HD1 ILE 9 7.378 7.990 4.947 92 HD12 ILE 9 2HD1 ILE 9 7.337 9.744 4.765 93 HD13 ILE 9 3HD1 ILE 9 6.488 8.717 3.610 94 H LYS 10 H LYS 10 6.599 11.280 -0.310 95 HA LYS 10 HA LYS 10 5.694 13.342 1.258 96 HB2 LYS 10 2HB LYS 10 4.444 14.120 -0.653 97 HB3 LYS 10 3HB LYS 10 5.954 13.414 -1.214 98 HG2 LYS 10 2HG LYS 10 4.258 11.277 -1.311 99 HG3 LYS 10 3HG LYS 10 3.195 12.618 -1.741 100 HD2 LYS 10 2HD LYS 10 5.616 13.012 -3.136 101 HD3 LYS 10 3HD LYS 10 5.185 11.311 -3.330 102 HE2 LYS 10 2HE LYS 10 4.180 12.535 -5.119 103 HE3 LYS 10 3HE LYS 10 2.900 12.043 -4.011 104 HZ1 LYS 10 1HZ LYS 10 3.319 14.371 -2.990 105 HZ2 LYS 10 2HZ LYS 10 2.388 14.232 -4.394 106 HZ3 LYS 10 3HZ LYS 10 4.003 14.725 -4.496 107 H ASP 11 H ASP 11 4.042 10.372 0.416 108 HA ASP 11 HA ASP 11 1.780 11.211 2.111 109 HB2 ASP 11 2HB ASP 11 1.830 9.501 -0.370 110 HB3 ASP 11 3HB ASP 11 0.486 9.448 0.767 111 H PHE 12 H PHE 12 2.675 8.044 0.797 112 HA PHE 12 HA PHE 12 3.256 6.081 1.801 113 HB2 PHE 12 2HB PHE 12 4.726 7.789 3.186 114 HB3 PHE 12 3HB PHE 12 3.598 7.375 4.472 115 HD1 PHE 12 HD1 PHE 12 3.172 4.729 4.654 116 HD2 PHE 12 HD2 PHE 12 6.668 6.587 3.091 117 HE1 PHE 12 HE1 PHE 12 4.465 2.691 5.134 118 HE2 PHE 12 HE2 PHE 12 7.967 4.552 3.567 119 HZ PHE 12 HZ PHE 12 6.866 2.601 4.589 120 H LEU 13 H LEU 13 1.729 7.878 4.474 121 HA LEU 13 HA LEU 13 -0.232 5.702 4.703 122 HB2 LEU 13 2HB LEU 13 0.199 7.842 6.754 123 HB3 LEU 13 3HB LEU 13 -0.477 6.228 6.964 124 HG LEU 13 HG LEU 13 2.422 6.730 6.319 125 HD11 LEU 13 1HD1 LEU 13 1.249 6.181 9.036 126 HD12 LEU 13 2HD1 LEU 13 1.716 7.785 8.474 127 HD13 LEU 13 3HD1 LEU 13 2.933 6.519 8.634 128 HD21 LEU 13 1HD2 LEU 13 1.114 4.326 7.569 129 HD22 LEU 13 2HD2 LEU 13 2.753 4.467 6.932 130 HD23 LEU 13 3HD2 LEU 13 1.374 4.488 5.832 131 H ARG 14 H ARG 14 0.086 8.802 3.517 132 HA ARG 14 HA ARG 14 -2.611 9.675 4.146 133 HB2 ARG 14 2HB ARG 14 -0.186 10.890 3.006 134 HB3 ARG 14 3HB ARG 14 -1.687 11.443 2.277 135 HG2 ARG 14 2HG ARG 14 -2.016 12.810 3.981 136 HG3 ARG 14 3HG ARG 14 -2.038 11.437 5.089 137 HD2 ARG 14 2HD ARG 14 0.093 11.777 5.765 138 HD3 ARG 14 3HD ARG 14 0.623 12.316 4.172 139 HE ARG 14 HE ARG 14 -1.007 14.315 5.145 140 HH11 ARG 14 1HH1 ARG 14 1.952 12.756 6.113 141 HH12 ARG 14 2HH1 ARG 14 2.579 14.156 6.918 142 HH21 ARG 14 1HH2 ARG 14 -0.192 16.165 6.201 143 HH22 ARG 14 2HH2 ARG 14 1.358 16.094 6.969 144 H ASN 15 H ASN 15 -1.549 7.400 2.177 145 HA ASN 15 HA ASN 15 -2.966 8.168 -0.240 146 HB2 ASN 15 2HB ASN 15 -1.567 5.576 0.456 147 HB3 ASN 15 3HB ASN 15 -2.177 6.025 -1.134 148 HD21 ASN 15 1HD2 ASN 15 -1.355 8.370 -1.728 149 HD22 ASN 15 2HD2 ASN 15 0.356 8.561 -1.587 150 H LEU 16 H LEU 16 -4.027 7.261 2.631 151 HA LEU 16 HA LEU 16 -6.095 5.448 1.577 152 HB2 LEU 16 2HB LEU 16 -6.393 4.598 3.786 153 HB3 LEU 16 3HB LEU 16 -4.675 4.547 3.397 154 HG LEU 16 HG LEU 16 -4.794 6.912 4.684 155 HD11 LEU 16 1HD1 LEU 16 -7.044 5.228 5.727 156 HD12 LEU 16 2HD1 LEU 16 -7.038 6.943 5.320 157 HD13 LEU 16 3HD1 LEU 16 -6.193 6.376 6.760 158 HD21 LEU 16 1HD2 LEU 16 -3.368 4.831 5.064 159 HD22 LEU 16 2HD2 LEU 16 -4.611 4.331 6.211 160 HD23 LEU 16 3HD2 LEU 16 -3.723 5.834 6.470 161 H VAL 17 H VAL 17 -5.474 8.393 3.366 162 HA VAL 17 HA VAL 17 -8.045 8.947 4.300 163 HB VAL 17 HB VAL 17 -7.326 11.379 4.141 164 HG11 VAL 17 1HG1 VAL 17 -5.553 9.400 5.567 165 HG12 VAL 17 2HG1 VAL 17 -5.626 11.128 5.919 166 HG13 VAL 17 3HG1 VAL 17 -7.045 10.113 6.177 167 HG21 VAL 17 1HG2 VAL 17 -5.624 10.564 2.240 168 HG22 VAL 17 2HG2 VAL 17 -5.350 12.002 3.222 169 HG23 VAL 17 3HG2 VAL 17 -4.553 10.486 3.639 Start of MODEL 15 1 H1 GLU 1 H GLU 1 3.436 0.561 0.158 2 HA GLU 1 HA GLU 1 4.169 -1.279 -1.992 3 HB2 GLU 1 2HB GLU 1 2.575 1.254 -2.424 4 HB3 GLU 1 3HB GLU 1 3.265 0.261 -3.700 5 HG2 GLU 1 2HG GLU 1 1.864 -1.635 -2.570 6 HG3 GLU 1 3HG GLU 1 0.938 -0.280 -1.926 7 H PHE 2 H PHE 2 4.070 2.265 -1.697 8 HA PHE 2 HA PHE 2 5.710 3.843 -1.712 9 HB2 PHE 2 2HB PHE 2 6.650 2.214 0.082 10 HB3 PHE 2 3HB PHE 2 7.778 1.730 -1.179 11 HD1 PHE 2 HD1 PHE 2 6.402 5.020 -0.077 12 HD2 PHE 2 HD2 PHE 2 9.850 2.633 -0.807 13 HE1 PHE 2 HE1 PHE 2 7.842 6.934 0.485 14 HE2 PHE 2 HE2 PHE 2 11.295 4.543 -0.246 15 HZ PHE 2 HZ PHE 2 10.292 6.697 0.402 16 H LYS 3 H LYS 3 5.216 1.694 -3.960 17 HA LYS 3 HA LYS 3 7.477 2.569 -5.637 18 HB2 LYS 3 2HB LYS 3 7.347 0.492 -6.855 19 HB3 LYS 3 3HB LYS 3 7.500 0.132 -5.140 20 HG2 LYS 3 2HG LYS 3 4.729 0.311 -5.923 21 HG3 LYS 3 3HG LYS 3 5.603 -0.870 -6.902 22 HD2 LYS 3 2HD LYS 3 6.541 -1.688 -4.626 23 HD3 LYS 3 3HD LYS 3 5.169 -0.814 -3.939 24 HE2 LYS 3 2HE LYS 3 4.012 -2.695 -4.286 25 HE3 LYS 3 3HE LYS 3 4.017 -2.232 -5.987 26 HZ1 LYS 3 1HZ LYS 3 6.405 -3.605 -5.177 27 HZ2 LYS 3 2HZ LYS 3 5.389 -3.894 -6.498 28 HZ3 LYS 3 3HZ LYS 3 5.011 -4.543 -4.982 29 H ARG 4 H ARG 4 4.199 2.807 -5.109 30 HA ARG 4 HA ARG 4 3.540 3.208 -7.934 31 HB2 ARG 4 2HB ARG 4 1.189 3.463 -7.035 32 HB3 ARG 4 3HB ARG 4 1.918 1.876 -6.826 33 HG2 ARG 4 2HG ARG 4 1.820 1.995 -4.600 34 HG3 ARG 4 3HG ARG 4 2.369 3.672 -4.572 35 HD2 ARG 4 2HD ARG 4 -0.411 2.927 -5.428 36 HD3 ARG 4 3HD ARG 4 0.002 3.176 -3.733 37 HE ARG 4 HE ARG 4 0.898 5.393 -5.171 38 HH11 ARG 4 1HH1 ARG 4 -2.102 3.857 -4.299 39 HH12 ARG 4 2HH1 ARG 4 -3.012 5.331 -4.315 40 HH21 ARG 4 1HH2 ARG 4 -0.289 7.340 -5.196 41 HH22 ARG 4 2HH2 ARG 4 -1.980 7.311 -4.827 42 H ILE 5 H ILE 5 5.189 5.115 -7.441 43 HA ILE 5 HA ILE 5 5.454 7.376 -7.552 44 HB ILE 5 HB ILE 5 2.488 7.750 -7.260 45 HG12 ILE 5 2HG1 ILE 5 2.658 6.044 -8.933 46 HG13 ILE 5 3HG1 ILE 5 2.395 7.569 -9.772 47 HG21 ILE 5 1HG2 ILE 5 4.791 9.325 -8.241 48 HG22 ILE 5 2HG2 ILE 5 3.270 9.508 -9.113 49 HG23 ILE 5 3HG2 ILE 5 3.341 9.846 -7.384 50 HD11 ILE 5 1HD1 ILE 5 4.052 6.251 -10.923 51 HD12 ILE 5 2HD1 ILE 5 4.801 7.695 -10.242 52 HD13 ILE 5 3HD1 ILE 5 5.019 6.133 -9.453 53 H VAL 6 H VAL 6 4.814 5.738 -4.976 54 HA VAL 6 HA VAL 6 4.314 8.029 -3.199 55 HB VAL 6 HB VAL 6 4.233 5.113 -2.432 56 HG11 VAL 6 1HG1 VAL 6 3.905 7.642 -1.025 57 HG12 VAL 6 2HG1 VAL 6 2.554 6.533 -0.782 58 HG13 VAL 6 3HG1 VAL 6 4.196 6.022 -0.391 59 HG21 VAL 6 1HG2 VAL 6 1.912 6.885 -3.186 60 HG22 VAL 6 2HG2 VAL 6 2.572 5.595 -4.192 61 HG23 VAL 6 3HG2 VAL 6 1.822 5.210 -2.643 62 H GLN 7 H GLN 7 6.836 6.459 -4.511 63 HA GLN 7 HA GLN 7 8.514 5.785 -2.377 64 HB2 GLN 7 2HB GLN 7 9.182 5.063 -4.518 65 HB3 GLN 7 3HB GLN 7 9.054 6.680 -5.197 66 HG2 GLN 7 2HG GLN 7 11.086 7.330 -4.405 67 HG3 GLN 7 3HG GLN 7 11.017 6.244 -3.018 68 HE21 GLN 7 1HE2 GLN 7 11.047 6.032 -6.564 69 HE22 GLN 7 2HE2 GLN 7 12.190 4.739 -6.646 70 H ARG 8 H ARG 8 7.453 8.839 -3.490 71 HA ARG 8 HA ARG 8 9.633 10.446 -2.698 72 HB2 ARG 8 2HB ARG 8 6.765 11.351 -2.617 73 HB3 ARG 8 3HB ARG 8 8.201 12.295 -2.988 74 HG2 ARG 8 2HG ARG 8 6.909 10.195 -4.712 75 HG3 ARG 8 3HG ARG 8 6.979 11.934 -5.007 76 HD2 ARG 8 2HD ARG 8 9.294 10.002 -4.977 77 HD3 ARG 8 3HD ARG 8 8.614 10.817 -6.385 78 HE ARG 8 HE ARG 8 9.347 12.859 -4.756 79 HH11 ARG 8 1HH1 ARG 8 11.000 10.075 -6.037 80 HH12 ARG 8 2HH1 ARG 8 12.550 10.848 -6.069 81 HH21 ARG 8 1HH2 ARG 8 11.383 13.887 -4.794 82 HH22 ARG 8 2HH2 ARG 8 12.767 13.016 -5.361 83 H ILE 9 H ILE 9 7.121 8.875 -0.924 84 HA ILE 9 HA ILE 9 6.914 8.553 1.336 85 HB ILE 9 HB ILE 9 9.518 9.490 1.164 86 HG12 ILE 9 2HG1 ILE 9 8.833 7.544 2.429 87 HG13 ILE 9 3HG1 ILE 9 9.691 8.644 3.502 88 HG21 ILE 9 1HG2 ILE 9 8.571 11.739 1.786 89 HG22 ILE 9 2HG2 ILE 9 8.148 11.040 3.348 90 HG23 ILE 9 3HG2 ILE 9 9.837 11.127 2.850 91 HD11 ILE 9 1HD1 ILE 9 6.696 8.479 3.311 92 HD12 ILE 9 2HD1 ILE 9 7.669 7.603 4.493 93 HD13 ILE 9 3HD1 ILE 9 7.649 9.366 4.500 94 H LYS 10 H LYS 10 6.571 11.441 -0.319 95 HA LYS 10 HA LYS 10 5.831 13.341 1.516 96 HB2 LYS 10 2HB LYS 10 4.464 14.334 -0.205 97 HB3 LYS 10 3HB LYS 10 5.912 13.667 -0.948 98 HG2 LYS 10 2HG LYS 10 4.166 11.578 -1.138 99 HG3 LYS 10 3HG LYS 10 3.104 12.973 -1.343 100 HD2 LYS 10 2HD LYS 10 5.641 13.070 -2.840 101 HD3 LYS 10 3HD LYS 10 4.499 11.825 -3.353 102 HE2 LYS 10 2HE LYS 10 3.930 13.675 -4.654 103 HE3 LYS 10 3HE LYS 10 2.753 13.706 -3.342 104 HZ1 LYS 10 1HZ LYS 10 4.621 15.224 -2.280 105 HZ2 LYS 10 2HZ LYS 10 3.413 15.855 -3.282 106 HZ3 LYS 10 3HZ LYS 10 4.952 15.537 -3.909 107 H ASP 11 H ASP 11 4.058 10.499 0.503 108 HA ASP 11 HA ASP 11 1.948 11.187 2.443 109 HB2 ASP 11 2HB ASP 11 1.758 9.731 -0.191 110 HB3 ASP 11 3HB ASP 11 0.493 9.637 1.031 111 H PHE 12 H PHE 12 2.687 8.175 0.724 112 HA PHE 12 HA PHE 12 3.304 6.108 1.462 113 HB2 PHE 12 2HB PHE 12 4.870 7.642 2.950 114 HB3 PHE 12 3HB PHE 12 3.815 7.076 4.240 115 HD1 PHE 12 HD1 PHE 12 6.769 6.439 2.518 116 HD2 PHE 12 HD2 PHE 12 3.405 4.446 4.200 117 HE1 PHE 12 HE1 PHE 12 8.078 4.361 2.667 118 HE2 PHE 12 HE2 PHE 12 4.709 2.366 4.352 119 HZ PHE 12 HZ PHE 12 7.049 2.322 3.586 120 H LEU 13 H LEU 13 1.953 7.603 4.403 121 HA LEU 13 HA LEU 13 -0.023 5.430 4.495 122 HB2 LEU 13 2HB LEU 13 0.574 7.309 6.751 123 HB3 LEU 13 3HB LEU 13 -0.135 5.697 6.815 124 HG LEU 13 HG LEU 13 2.734 6.199 6.049 125 HD11 LEU 13 1HD1 LEU 13 2.123 7.020 8.365 126 HD12 LEU 13 2HD1 LEU 13 3.399 5.806 8.274 127 HD13 LEU 13 3HD1 LEU 13 1.770 5.338 8.762 128 HD21 LEU 13 1HD2 LEU 13 1.453 3.707 7.140 129 HD22 LEU 13 2HD2 LEU 13 3.033 3.881 6.376 130 HD23 LEU 13 3HD2 LEU 13 1.564 4.045 5.413 131 H ARG 14 H ARG 14 0.283 8.657 3.687 132 HA ARG 14 HA ARG 14 -2.378 9.447 4.549 133 HB2 ARG 14 2HB ARG 14 -0.141 10.864 3.118 134 HB3 ARG 14 3HB ARG 14 -1.744 11.573 3.250 135 HG2 ARG 14 2HG ARG 14 -0.717 10.627 5.801 136 HG3 ARG 14 3HG ARG 14 0.306 11.855 5.053 137 HD2 ARG 14 2HD ARG 14 -2.644 12.278 5.139 138 HD3 ARG 14 3HD ARG 14 -1.701 12.530 6.607 139 HE ARG 14 HE ARG 14 -0.340 13.965 4.777 140 HH11 ARG 14 1HH1 ARG 14 -3.706 13.843 5.659 141 HH12 ARG 14 2HH1 ARG 14 -4.006 15.502 5.257 142 HH21 ARG 14 1HH2 ARG 14 -0.722 16.149 4.244 143 HH22 ARG 14 2HH2 ARG 14 -2.308 16.812 4.451 144 H ASN 15 H ASN 15 -1.432 7.458 2.255 145 HA ASN 15 HA ASN 15 -2.757 8.551 -0.053 146 HB2 ASN 15 2HB ASN 15 -0.853 7.030 -0.316 147 HB3 ASN 15 3HB ASN 15 -1.750 5.750 0.495 148 HD21 ASN 15 1HD2 ASN 15 -2.337 8.063 -2.137 149 HD22 ASN 15 2HD2 ASN 15 -2.976 6.899 -3.242 150 H LEU 16 H LEU 16 -3.865 7.246 2.776 151 HA LEU 16 HA LEU 16 -6.239 6.050 1.524 152 HB2 LEU 16 2HB LEU 16 -6.682 5.044 3.702 153 HB3 LEU 16 3HB LEU 16 -5.088 4.605 3.091 154 HG LEU 16 HG LEU 16 -4.516 6.771 4.658 155 HD11 LEU 16 1HD1 LEU 16 -6.748 6.951 5.535 156 HD12 LEU 16 2HD1 LEU 16 -5.678 6.350 6.801 157 HD13 LEU 16 3HD1 LEU 16 -6.760 5.239 5.962 158 HD21 LEU 16 1HD2 LEU 16 -3.182 4.835 4.722 159 HD22 LEU 16 2HD2 LEU 16 -4.531 3.821 5.235 160 HD23 LEU 16 3HD2 LEU 16 -3.839 5.001 6.350 161 H VAL 17 H VAL 17 -5.147 8.568 3.696 162 HA VAL 17 HA VAL 17 -7.635 9.365 4.728 163 HB VAL 17 HB VAL 17 -5.234 11.120 4.197 164 HG11 VAL 17 1HG1 VAL 17 -7.549 11.428 6.106 165 HG12 VAL 17 2HG1 VAL 17 -6.134 12.481 6.038 166 HG13 VAL 17 3HG1 VAL 17 -7.242 12.399 4.667 167 HG21 VAL 17 1HG2 VAL 17 -5.496 8.892 5.919 168 HG22 VAL 17 2HG2 VAL 17 -4.158 10.036 5.809 169 HG23 VAL 17 3HG2 VAL 17 -5.489 10.340 6.926 Start of MODEL 16 1 H1 GLU 1 H GLU 1 1.900 0.644 0.493 2 HA GLU 1 HA GLU 1 3.471 -0.875 -1.313 3 HB2 GLU 1 2HB GLU 1 2.168 1.834 -1.631 4 HB3 GLU 1 3HB GLU 1 2.896 0.921 -2.945 5 HG2 GLU 1 2HG GLU 1 1.193 -0.916 -1.900 6 HG3 GLU 1 3HG GLU 1 0.310 0.583 -1.617 7 H PHE 2 H PHE 2 3.761 2.638 -0.903 8 HA PHE 2 HA PHE 2 5.566 4.014 -0.728 9 HB2 PHE 2 2HB PHE 2 6.144 2.450 1.174 10 HB3 PHE 2 3HB PHE 2 7.173 1.576 0.044 11 HD1 PHE 2 HD1 PHE 2 9.335 1.954 0.781 12 HD2 PHE 2 HD2 PHE 2 6.649 5.236 0.426 13 HE1 PHE 2 HE1 PHE 2 11.180 3.511 1.257 14 HE2 PHE 2 HE2 PHE 2 8.489 6.798 0.901 15 HZ PHE 2 HZ PHE 2 10.759 5.936 1.317 16 H LYS 3 H LYS 3 5.103 1.845 -3.013 17 HA LYS 3 HA LYS 3 7.548 2.579 -4.486 18 HB2 LYS 3 2HB LYS 3 7.787 0.471 -5.345 19 HB3 LYS 3 3HB LYS 3 7.068 0.066 -3.791 20 HG2 LYS 3 2HG LYS 3 5.581 0.319 -6.398 21 HG3 LYS 3 3HG LYS 3 6.055 -1.193 -5.619 22 HD2 LYS 3 2HD LYS 3 4.736 0.032 -3.594 23 HD3 LYS 3 3HD LYS 3 3.854 0.660 -4.989 24 HE2 LYS 3 2HE LYS 3 4.411 -2.267 -4.540 25 HE3 LYS 3 3HE LYS 3 2.937 -1.462 -4.006 26 HZ1 LYS 3 1HZ LYS 3 2.818 -2.626 -6.211 27 HZ2 LYS 3 2HZ LYS 3 3.843 -1.429 -6.826 28 HZ3 LYS 3 3HZ LYS 3 2.321 -1.009 -6.218 29 H ARG 4 H ARG 4 4.246 2.915 -4.275 30 HA ARG 4 HA ARG 4 3.945 3.361 -7.167 31 HB2 ARG 4 2HB ARG 4 2.170 2.332 -5.089 32 HB3 ARG 4 3HB ARG 4 1.425 3.602 -6.051 33 HG2 ARG 4 2HG ARG 4 2.393 2.177 -8.048 34 HG3 ARG 4 3HG ARG 4 2.309 0.885 -6.849 35 HD2 ARG 4 2HD ARG 4 0.114 0.708 -7.138 36 HD3 ARG 4 3HD ARG 4 -0.104 2.418 -6.767 37 HE ARG 4 HE ARG 4 0.763 2.377 -9.357 38 HH11 ARG 4 1HH1 ARG 4 -1.879 0.931 -7.612 39 HH12 ARG 4 2HH1 ARG 4 -2.945 0.916 -8.978 40 HH21 ARG 4 1HH2 ARG 4 -0.631 2.364 -11.163 41 HH22 ARG 4 2HH2 ARG 4 -2.233 1.731 -10.998 42 H ILE 5 H ILE 5 5.021 5.398 -7.090 43 HA ILE 5 HA ILE 5 5.108 7.670 -7.002 44 HB ILE 5 HB ILE 5 2.181 7.743 -6.350 45 HG12 ILE 5 2HG1 ILE 5 2.316 6.066 -8.069 46 HG13 ILE 5 3HG1 ILE 5 1.762 7.560 -8.816 47 HG21 ILE 5 1HG2 ILE 5 4.174 9.516 -7.659 48 HG22 ILE 5 2HG2 ILE 5 2.499 9.599 -8.200 49 HG23 ILE 5 3HG2 ILE 5 2.895 9.906 -6.510 50 HD11 ILE 5 1HD1 ILE 5 4.563 6.467 -8.906 51 HD12 ILE 5 2HD1 ILE 5 3.383 6.438 -10.218 52 HD13 ILE 5 3HD1 ILE 5 4.024 7.976 -9.641 53 H VAL 6 H VAL 6 5.042 5.912 -4.468 54 HA VAL 6 HA VAL 6 4.654 8.131 -2.564 55 HB VAL 6 HB VAL 6 4.468 5.216 -1.827 56 HG11 VAL 6 1HG1 VAL 6 4.161 7.795 -0.440 57 HG12 VAL 6 2HG1 VAL 6 2.944 6.575 -0.061 58 HG13 VAL 6 3HG1 VAL 6 4.655 6.221 0.182 59 HG21 VAL 6 1HG2 VAL 6 2.522 6.891 -3.212 60 HG22 VAL 6 2HG2 VAL 6 2.557 5.142 -2.990 61 HG23 VAL 6 3HG2 VAL 6 1.899 6.178 -1.723 62 H GLN 7 H GLN 7 6.985 6.644 -4.151 63 HA GLN 7 HA GLN 7 8.769 5.774 -2.120 64 HB2 GLN 7 2HB GLN 7 9.663 6.802 -4.797 65 HB3 GLN 7 3HB GLN 7 10.364 5.518 -3.821 66 HG2 GLN 7 2HG GLN 7 7.875 4.536 -4.299 67 HG3 GLN 7 3HG GLN 7 8.199 5.426 -5.785 68 HE21 GLN 7 1HE2 GLN 7 10.070 3.380 -3.563 69 HE22 GLN 7 2HE2 GLN 7 10.744 2.369 -4.791 70 H ARG 8 H ARG 8 7.891 8.865 -3.341 71 HA ARG 8 HA ARG 8 10.250 10.295 -2.720 72 HB2 ARG 8 2HB ARG 8 7.491 11.489 -2.618 73 HB3 ARG 8 3HB ARG 8 9.000 12.253 -3.100 74 HG2 ARG 8 2HG ARG 8 9.019 10.653 -5.065 75 HG3 ARG 8 3HG ARG 8 7.353 10.266 -4.631 76 HD2 ARG 8 2HD ARG 8 7.346 13.005 -4.619 77 HD3 ARG 8 3HD ARG 8 8.458 12.636 -5.938 78 HE ARG 8 HE ARG 8 6.144 11.054 -6.188 79 HH11 ARG 8 1HH1 ARG 8 7.207 14.353 -6.504 80 HH12 ARG 8 2HH1 ARG 8 6.013 14.761 -7.692 81 HH21 ARG 8 1HH2 ARG 8 4.567 11.578 -7.751 82 HH22 ARG 8 2HH2 ARG 8 4.512 13.182 -8.400 83 H ILE 9 H ILE 9 7.718 9.021 -0.778 84 HA ILE 9 HA ILE 9 7.569 8.857 1.504 85 HB ILE 9 HB ILE 9 10.211 9.638 1.192 86 HG12 ILE 9 2HG1 ILE 9 9.448 7.817 2.604 87 HG13 ILE 9 3HG1 ILE 9 10.428 8.922 3.561 88 HG21 ILE 9 1HG2 ILE 9 9.405 11.970 1.693 89 HG22 ILE 9 2HG2 ILE 9 8.999 11.397 3.309 90 HG23 ILE 9 3HG2 ILE 9 10.673 11.360 2.756 91 HD11 ILE 9 1HD1 ILE 9 8.547 9.788 4.669 92 HD12 ILE 9 2HD1 ILE 9 7.433 9.058 3.513 93 HD13 ILE 9 3HD1 ILE 9 8.327 8.039 4.641 94 H LYS 10 H LYS 10 7.329 11.651 -0.324 95 HA LYS 10 HA LYS 10 6.745 13.697 1.413 96 HB2 LYS 10 2HB LYS 10 5.420 14.676 -0.332 97 HB3 LYS 10 3HB LYS 10 6.776 13.844 -1.081 98 HG2 LYS 10 2HG LYS 10 4.902 11.890 -1.103 99 HG3 LYS 10 3HG LYS 10 3.897 13.329 -1.284 100 HD2 LYS 10 2HD LYS 10 6.300 13.349 -2.952 101 HD3 LYS 10 3HD LYS 10 5.191 12.026 -3.318 102 HE2 LYS 10 2HE LYS 10 4.758 14.081 -4.640 103 HE3 LYS 10 3HE LYS 10 3.381 13.565 -3.668 104 HZ1 LYS 10 1HZ LYS 10 5.298 15.692 -2.883 105 HZ2 LYS 10 2HZ LYS 10 3.899 15.242 -2.047 106 HZ3 LYS 10 3HZ LYS 10 3.776 15.972 -3.568 107 H ASP 11 H ASP 11 4.780 10.914 0.592 108 HA ASP 11 HA ASP 11 2.724 11.859 2.479 109 HB2 ASP 11 2HB ASP 11 2.538 10.208 -0.020 110 HB3 ASP 11 3HB ASP 11 1.309 10.058 1.233 111 H PHE 12 H PHE 12 3.436 8.645 1.155 112 HA PHE 12 HA PHE 12 4.013 6.677 2.155 113 HB2 PHE 12 2HB PHE 12 5.570 8.361 3.475 114 HB3 PHE 12 3HB PHE 12 4.477 7.982 4.802 115 HD1 PHE 12 HD1 PHE 12 4.190 5.565 5.472 116 HD2 PHE 12 HD2 PHE 12 7.284 6.894 2.868 117 HE1 PHE 12 HE1 PHE 12 5.452 3.502 5.924 118 HE2 PHE 12 HE2 PHE 12 8.550 4.833 3.315 119 HZ PHE 12 HZ PHE 12 7.634 3.133 4.843 120 H LEU 13 H LEU 13 2.619 8.534 4.860 121 HA LEU 13 HA LEU 13 0.646 6.391 5.214 122 HB2 LEU 13 2HB LEU 13 1.166 8.633 7.138 123 HB3 LEU 13 3HB LEU 13 0.423 7.066 7.452 124 HG LEU 13 HG LEU 13 3.316 7.326 6.681 125 HD11 LEU 13 1HD1 LEU 13 2.728 8.693 8.728 126 HD12 LEU 13 2HD1 LEU 13 3.952 7.443 8.947 127 HD13 LEU 13 3HD1 LEU 13 2.302 7.169 9.506 128 HD21 LEU 13 1HD2 LEU 13 3.527 5.141 7.521 129 HD22 LEU 13 2HD2 LEU 13 2.043 5.127 6.567 130 HD23 LEU 13 3HD2 LEU 13 1.960 5.209 8.328 131 H ARG 14 H ARG 14 0.950 9.497 3.964 132 HA ARG 14 HA ARG 14 -1.773 10.319 4.552 133 HB2 ARG 14 2HB ARG 14 0.537 11.583 3.104 134 HB3 ARG 14 3HB ARG 14 -1.086 12.247 2.967 135 HG2 ARG 14 2HG ARG 14 -0.278 13.495 4.694 136 HG3 ARG 14 3HG ARG 14 -0.994 12.154 5.591 137 HD2 ARG 14 2HD ARG 14 1.369 11.088 5.342 138 HD3 ARG 14 3HD ARG 14 1.883 12.747 5.039 139 HE ARG 14 HE ARG 14 1.049 11.619 7.552 140 HH11 ARG 14 1HH1 ARG 14 1.438 14.541 5.699 141 HH12 ARG 14 2HH1 ARG 14 1.551 15.564 7.093 142 HH21 ARG 14 1HH2 ARG 14 1.195 12.955 9.394 143 HH22 ARG 14 2HH2 ARG 14 1.413 14.661 9.194 144 H ASN 15 H ASN 15 -0.654 8.061 2.612 145 HA ASN 15 HA ASN 15 -1.863 8.786 0.105 146 HB2 ASN 15 2HB ASN 15 0.124 7.157 0.546 147 HB3 ASN 15 3HB ASN 15 -1.140 5.972 0.861 148 HD21 ASN 15 1HD2 ASN 15 -1.019 4.682 -0.860 149 HD22 ASN 15 2HD2 ASN 15 -1.179 5.199 -2.501 150 H LEU 16 H LEU 16 -3.114 7.866 3.021 151 HA LEU 16 HA LEU 16 -5.068 5.967 2.375 152 HB2 LEU 16 2HB LEU 16 -4.530 7.829 4.559 153 HB3 LEU 16 3HB LEU 16 -6.246 7.506 4.318 154 HG LEU 16 HG LEU 16 -5.187 4.986 4.295 155 HD11 LEU 16 1HD1 LEU 16 -3.467 6.752 5.973 156 HD12 LEU 16 2HD1 LEU 16 -3.024 5.374 4.965 157 HD13 LEU 16 3HD1 LEU 16 -3.822 5.111 6.516 158 HD21 LEU 16 1HD2 LEU 16 -7.175 5.562 5.477 159 HD22 LEU 16 2HD2 LEU 16 -6.289 6.625 6.570 160 HD23 LEU 16 3HD2 LEU 16 -6.044 4.880 6.646 161 H VAL 17 H VAL 17 -6.730 6.098 1.034 162 HA VAL 17 HA VAL 17 -8.330 6.943 -0.356 163 HB VAL 17 HB VAL 17 -8.708 8.853 1.955 164 HG11 VAL 17 1HG1 VAL 17 -11.151 8.564 0.801 165 HG12 VAL 17 2HG1 VAL 17 -10.051 9.910 0.497 166 HG13 VAL 17 3HG1 VAL 17 -10.096 8.539 -0.611 167 HG21 VAL 17 1HG2 VAL 17 -10.414 7.320 2.713 168 HG22 VAL 17 2HG2 VAL 17 -10.148 6.280 1.313 169 HG23 VAL 17 3HG2 VAL 17 -8.888 6.454 2.535 Start of MODEL 17 1 H1 GLU 1 H GLU 1 1.425 2.149 -0.807 2 HA GLU 1 HA GLU 1 2.761 -0.375 -0.394 3 HB2 GLU 1 2HB GLU 1 2.500 1.102 -3.008 4 HB3 GLU 1 3HB GLU 1 2.706 -0.625 -2.756 5 HG2 GLU 1 2HG GLU 1 0.456 -0.633 -1.650 6 HG3 GLU 1 3HG GLU 1 0.263 1.032 -2.196 7 H PHE 2 H PHE 2 3.639 2.915 -1.209 8 HA PHE 2 HA PHE 2 5.650 3.980 -1.246 9 HB2 PHE 2 2HB PHE 2 6.018 2.442 0.795 10 HB3 PHE 2 3HB PHE 2 6.987 1.456 -0.297 11 HD1 PHE 2 HD1 PHE 2 9.188 2.059 -0.848 12 HD2 PHE 2 HD2 PHE 2 6.682 4.820 1.203 13 HE1 PHE 2 HE1 PHE 2 11.131 3.513 -0.438 14 HE2 PHE 2 HE2 PHE 2 8.620 6.279 1.616 15 HZ PHE 2 HZ PHE 2 10.848 5.626 0.794 16 H LYS 3 H LYS 3 4.705 1.747 -3.270 17 HA LYS 3 HA LYS 3 7.195 1.790 -4.847 18 HB2 LYS 3 2HB LYS 3 6.366 -0.311 -5.922 19 HB3 LYS 3 3HB LYS 3 6.762 -0.483 -4.217 20 HG2 LYS 3 2HG LYS 3 4.760 -1.376 -3.916 21 HG3 LYS 3 3HG LYS 3 4.058 0.203 -4.275 22 HD2 LYS 3 2HD LYS 3 3.447 -0.399 -6.376 23 HD3 LYS 3 3HD LYS 3 4.849 -1.448 -6.598 24 HE2 LYS 3 2HE LYS 3 3.188 -2.533 -4.546 25 HE3 LYS 3 3HE LYS 3 2.193 -2.177 -5.956 26 HZ1 LYS 3 1HZ LYS 3 4.718 -3.485 -6.516 27 HZ2 LYS 3 2HZ LYS 3 3.182 -3.773 -7.162 28 HZ3 LYS 3 3HZ LYS 3 3.601 -4.421 -5.657 29 H ARG 4 H ARG 4 4.061 2.899 -4.621 30 HA ARG 4 HA ARG 4 3.794 3.197 -7.536 31 HB2 ARG 4 2HB ARG 4 1.415 3.735 -7.062 32 HB3 ARG 4 3HB ARG 4 1.877 2.118 -6.547 33 HG2 ARG 4 2HG ARG 4 1.467 2.553 -4.390 34 HG3 ARG 4 3HG ARG 4 2.164 4.171 -4.480 35 HD2 ARG 4 2HD ARG 4 -0.488 3.538 -5.730 36 HD3 ARG 4 3HD ARG 4 -0.356 3.949 -4.020 37 HE ARG 4 HE ARG 4 0.985 5.893 -5.544 38 HH11 ARG 4 1HH1 ARG 4 -2.237 4.762 -4.863 39 HH12 ARG 4 2HH1 ARG 4 -2.977 6.304 -5.139 40 HH21 ARG 4 1HH2 ARG 4 0.022 7.928 -5.911 41 HH22 ARG 4 2HH2 ARG 4 -1.692 8.103 -5.736 42 H ILE 5 H ILE 5 5.572 4.873 -7.052 43 HA ILE 5 HA ILE 5 6.194 7.062 -7.086 44 HB ILE 5 HB ILE 5 3.311 7.892 -7.143 45 HG12 ILE 5 2HG1 ILE 5 4.082 7.621 -9.795 46 HG13 ILE 5 3HG1 ILE 5 4.688 6.153 -9.038 47 HG21 ILE 5 1HG2 ILE 5 5.927 9.016 -7.975 48 HG22 ILE 5 2HG2 ILE 5 4.512 9.423 -8.945 49 HG23 ILE 5 3HG2 ILE 5 4.540 9.806 -7.224 50 HD11 ILE 5 1HD1 ILE 5 2.068 6.729 -9.886 51 HD12 ILE 5 2HD1 ILE 5 2.661 5.280 -9.074 52 HD13 ILE 5 3HD1 ILE 5 2.034 6.628 -8.126 53 H VAL 6 H VAL 6 5.014 5.615 -4.582 54 HA VAL 6 HA VAL 6 4.557 7.983 -2.912 55 HB VAL 6 HB VAL 6 4.182 5.061 -2.239 56 HG11 VAL 6 1HG1 VAL 6 4.105 7.525 -0.640 57 HG12 VAL 6 2HG1 VAL 6 2.728 6.443 -0.419 58 HG13 VAL 6 3HG1 VAL 6 4.368 5.854 -0.142 59 HG21 VAL 6 1HG2 VAL 6 2.631 6.420 -3.928 60 HG22 VAL 6 2HG2 VAL 6 1.985 5.229 -2.799 61 HG23 VAL 6 3HG2 VAL 6 1.904 6.947 -2.410 62 H GLN 7 H GLN 7 6.998 5.846 -3.797 63 HA GLN 7 HA GLN 7 8.437 5.368 -1.491 64 HB2 GLN 7 2HB GLN 7 10.477 5.501 -3.032 65 HB3 GLN 7 3HB GLN 7 9.224 4.339 -3.450 66 HG2 GLN 7 2HG GLN 7 8.551 5.514 -5.294 67 HG3 GLN 7 3HG GLN 7 9.111 7.057 -4.651 68 HE21 GLN 7 1HE2 GLN 7 11.239 7.657 -4.919 69 HE22 GLN 7 2HE2 GLN 7 12.315 6.832 -5.989 70 H ARG 8 H ARG 8 7.979 8.346 -3.205 71 HA ARG 8 HA ARG 8 10.177 9.816 -2.323 72 HB2 ARG 8 2HB ARG 8 7.426 10.999 -2.624 73 HB3 ARG 8 3HB ARG 8 8.981 11.755 -2.946 74 HG2 ARG 8 2HG ARG 8 9.265 10.062 -4.806 75 HG3 ARG 8 3HG ARG 8 7.561 9.667 -4.569 76 HD2 ARG 8 2HD ARG 8 6.886 11.509 -5.635 77 HD3 ARG 8 3HD ARG 8 8.026 12.529 -4.758 78 HE ARG 8 HE ARG 8 9.500 11.104 -6.620 79 HH11 ARG 8 1HH1 ARG 8 6.922 13.443 -6.620 80 HH12 ARG 8 2HH1 ARG 8 7.368 14.128 -8.148 81 HH21 ARG 8 1HH2 ARG 8 10.097 11.997 -8.632 82 HH22 ARG 8 2HH2 ARG 8 9.174 13.304 -9.292 83 H ILE 9 H ILE 9 7.439 8.668 -0.598 84 HA ILE 9 HA ILE 9 7.040 8.649 1.660 85 HB ILE 9 HB ILE 9 9.699 9.430 1.593 86 HG12 ILE 9 2HG1 ILE 9 8.806 7.702 3.032 87 HG13 ILE 9 3HG1 ILE 9 9.639 8.892 4.026 88 HG21 ILE 9 1HG2 ILE 9 8.840 11.784 1.841 89 HG22 ILE 9 2HG2 ILE 9 8.256 11.318 3.438 90 HG23 ILE 9 3HG2 ILE 9 9.981 11.257 3.079 91 HD11 ILE 9 1HD1 ILE 9 6.664 8.841 3.604 92 HD12 ILE 9 2HD1 ILE 9 7.491 8.089 4.968 93 HD13 ILE 9 3HD1 ILE 9 7.570 9.836 4.743 94 H LYS 10 H LYS 10 7.000 11.315 -0.364 95 HA LYS 10 HA LYS 10 6.221 13.464 1.159 96 HB2 LYS 10 2HB LYS 10 5.077 14.306 -0.787 97 HB3 LYS 10 3HB LYS 10 6.537 13.475 -1.310 98 HG2 LYS 10 2HG LYS 10 4.685 11.475 -1.413 99 HG3 LYS 10 3HG LYS 10 3.732 12.887 -1.873 100 HD2 LYS 10 2HD LYS 10 6.385 12.672 -3.138 101 HD3 LYS 10 3HD LYS 10 5.217 11.433 -3.602 102 HE2 LYS 10 2HE LYS 10 4.859 13.127 -5.157 103 HE3 LYS 10 3HE LYS 10 3.594 13.396 -3.958 104 HZ1 LYS 10 1HZ LYS 10 5.965 14.998 -4.551 105 HZ2 LYS 10 2HZ LYS 10 5.455 14.935 -2.939 106 HZ3 LYS 10 3HZ LYS 10 4.400 15.494 -4.138 107 H ASP 11 H ASP 11 4.382 10.605 0.331 108 HA ASP 11 HA ASP 11 2.145 11.635 1.952 109 HB2 ASP 11 2HB ASP 11 2.127 9.835 -0.468 110 HB3 ASP 11 3HB ASP 11 0.750 9.959 0.623 111 H PHE 12 H PHE 12 2.878 8.386 0.739 112 HA PHE 12 HA PHE 12 3.309 6.418 1.807 113 HB2 PHE 12 2HB PHE 12 4.820 8.076 3.213 114 HB3 PHE 12 3HB PHE 12 3.624 7.747 4.463 115 HD1 PHE 12 HD1 PHE 12 6.665 6.722 3.090 116 HD2 PHE 12 HD2 PHE 12 3.082 5.180 4.793 117 HE1 PHE 12 HE1 PHE 12 7.835 4.631 3.650 118 HE2 PHE 12 HE2 PHE 12 4.247 3.087 5.356 119 HZ PHE 12 HZ PHE 12 6.626 2.811 4.785 120 H LEU 13 H LEU 13 1.789 8.365 4.377 121 HA LEU 13 HA LEU 13 -0.280 6.297 4.613 122 HB2 LEU 13 2HB LEU 13 0.138 8.538 6.554 123 HB3 LEU 13 3HB LEU 13 -0.610 6.966 6.824 124 HG LEU 13 HG LEU 13 2.333 7.320 6.291 125 HD11 LEU 13 1HD1 LEU 13 1.540 8.527 8.350 126 HD12 LEU 13 2HD1 LEU 13 2.739 7.265 8.624 127 HD13 LEU 13 3HD1 LEU 13 1.040 6.959 8.983 128 HD21 LEU 13 1HD2 LEU 13 1.230 5.093 5.888 129 HD22 LEU 13 2HD2 LEU 13 0.864 5.049 7.613 130 HD23 LEU 13 3HD2 LEU 13 2.541 5.088 7.067 131 H ARG 14 H ARG 14 0.214 9.321 3.283 132 HA ARG 14 HA ARG 14 -2.420 10.395 3.760 133 HB2 ARG 14 2HB ARG 14 -0.293 11.283 1.802 134 HB3 ARG 14 3HB ARG 14 -1.732 12.190 2.246 135 HG2 ARG 14 2HG ARG 14 0.128 11.361 4.408 136 HG3 ARG 14 3HG ARG 14 0.607 12.684 3.343 137 HD2 ARG 14 2HD ARG 14 -1.087 14.057 4.063 138 HD3 ARG 14 3HD ARG 14 -2.127 12.710 4.523 139 HE ARG 14 HE ARG 14 0.122 12.720 6.194 140 HH11 ARG 14 1HH1 ARG 14 -2.724 14.616 5.543 141 HH12 ARG 14 2HH1 ARG 14 -2.839 15.237 7.156 142 HH21 ARG 14 1HH2 ARG 14 -0.018 13.532 8.321 143 HH22 ARG 14 2HH2 ARG 14 -1.298 14.621 8.735 144 H ASN 15 H ASN 15 -1.243 7.988 1.811 145 HA ASN 15 HA ASN 15 -3.194 8.490 -0.327 146 HB2 ASN 15 2HB ASN 15 -0.640 6.961 -0.169 147 HB3 ASN 15 3HB ASN 15 -1.882 6.370 -1.270 148 HD21 ASN 15 1HD2 ASN 15 -0.118 6.883 -2.813 149 HD22 ASN 15 2HD2 ASN 15 -0.062 8.483 -3.464 150 H LEU 16 H LEU 16 -3.259 7.134 2.559 151 HA LEU 16 HA LEU 16 -4.630 4.669 1.759 152 HB2 LEU 16 2HB LEU 16 -4.130 5.457 4.597 153 HB3 LEU 16 3HB LEU 16 -4.270 3.847 3.893 154 HG LEU 16 HG LEU 16 -1.917 5.706 3.549 155 HD11 LEU 16 1HD1 LEU 16 -2.313 3.277 5.287 156 HD12 LEU 16 2HD1 LEU 16 -1.998 4.930 5.814 157 HD13 LEU 16 3HD1 LEU 16 -0.750 4.025 4.958 158 HD21 LEU 16 1HD2 LEU 16 -1.373 2.971 2.965 159 HD22 LEU 16 2HD2 LEU 16 -1.254 4.375 1.904 160 HD23 LEU 16 3HD2 LEU 16 -2.773 3.485 2.024 161 H VAL 17 H VAL 17 -5.130 7.737 3.388 162 HA VAL 17 HA VAL 17 -8.019 7.152 3.471 163 HB VAL 17 HB VAL 17 -7.030 7.312 5.737 164 HG11 VAL 17 1HG1 VAL 17 -5.692 8.976 6.406 165 HG12 VAL 17 2HG1 VAL 17 -5.508 9.330 4.687 166 HG13 VAL 17 3HG1 VAL 17 -6.695 10.212 5.648 167 HG21 VAL 17 1HG2 VAL 17 -8.639 8.976 6.614 168 HG22 VAL 17 2HG2 VAL 17 -8.934 9.521 4.963 169 HG23 VAL 17 3HG2 VAL 17 -9.358 7.877 5.438 Start of MODEL 18 1 H1 GLU 1 H GLU 1 1.446 -0.172 -0.581 2 HA GLU 1 HA GLU 1 3.426 -1.705 -1.549 3 HB2 GLU 1 2HB GLU 1 3.402 -0.242 -3.621 4 HB3 GLU 1 3HB GLU 1 1.842 -0.849 -3.085 5 HG2 GLU 1 2HG GLU 1 2.012 1.542 -1.773 6 HG3 GLU 1 3HG GLU 1 2.819 1.889 -3.301 7 H PHE 2 H PHE 2 3.759 1.795 -0.992 8 HA PHE 2 HA PHE 2 5.577 3.102 -0.591 9 HB2 PHE 2 2HB PHE 2 6.080 1.448 1.165 10 HB3 PHE 2 3HB PHE 2 6.961 0.475 -0.008 11 HD1 PHE 2 HD1 PHE 2 7.044 4.159 0.250 12 HD2 PHE 2 HD2 PHE 2 9.099 0.502 0.972 13 HE1 PHE 2 HE1 PHE 2 9.097 5.417 0.756 14 HE2 PHE 2 HE2 PHE 2 11.155 1.754 1.480 15 HZ PHE 2 HZ PHE 2 11.156 4.215 1.373 16 H LYS 3 H LYS 3 5.167 1.331 -3.178 17 HA LYS 3 HA LYS 3 7.724 2.129 -4.406 18 HB2 LYS 3 2HB LYS 3 7.599 0.228 -5.883 19 HB3 LYS 3 3HB LYS 3 7.464 -0.338 -4.223 20 HG2 LYS 3 2HG LYS 3 4.851 0.188 -5.239 21 HG3 LYS 3 3HG LYS 3 5.726 -0.833 -6.382 22 HD2 LYS 3 2HD LYS 3 6.387 -2.199 -4.285 23 HD3 LYS 3 3HD LYS 3 5.038 -1.362 -3.514 24 HE2 LYS 3 2HE LYS 3 4.859 -2.987 -6.049 25 HE3 LYS 3 3HE LYS 3 4.398 -3.556 -4.445 26 HZ1 LYS 3 1HZ LYS 3 2.633 -2.558 -6.063 27 HZ2 LYS 3 2HZ LYS 3 3.197 -1.081 -5.461 28 HZ3 LYS 3 3HZ LYS 3 2.553 -2.234 -4.404 29 H ARG 4 H ARG 4 4.352 2.430 -4.391 30 HA ARG 4 HA ARG 4 4.179 3.280 -7.172 31 HB2 ARG 4 2HB ARG 4 2.323 2.325 -5.176 32 HB3 ARG 4 3HB ARG 4 1.755 3.838 -5.869 33 HG2 ARG 4 2HG ARG 4 2.413 2.587 -8.124 34 HG3 ARG 4 3HG ARG 4 2.074 1.178 -7.117 35 HD2 ARG 4 2HD ARG 4 -0.123 1.527 -7.231 36 HD3 ARG 4 3HD ARG 4 0.060 3.223 -6.783 37 HE ARG 4 HE ARG 4 0.795 2.767 -9.495 38 HH11 ARG 4 1HH1 ARG 4 -1.938 3.154 -7.373 39 HH12 ARG 4 2HH1 ARG 4 -2.985 3.749 -8.618 40 HH21 ARG 4 1HH2 ARG 4 -0.574 3.550 -11.143 41 HH22 ARG 4 2HH2 ARG 4 -2.209 3.974 -10.762 42 H ILE 5 H ILE 5 5.587 5.111 -6.971 43 HA ILE 5 HA ILE 5 6.050 7.326 -6.724 44 HB ILE 5 HB ILE 5 3.142 7.844 -6.198 45 HG12 ILE 5 2HG1 ILE 5 3.378 7.983 -8.931 46 HG13 ILE 5 3HG1 ILE 5 4.341 6.559 -8.551 47 HG21 ILE 5 1HG2 ILE 5 5.464 9.330 -7.301 48 HG22 ILE 5 2HG2 ILE 5 3.863 9.703 -7.938 49 HG23 ILE 5 3HG2 ILE 5 4.186 9.871 -6.212 50 HD11 ILE 5 1HD1 ILE 5 2.467 5.394 -8.486 51 HD12 ILE 5 2HD1 ILE 5 1.992 6.312 -7.056 52 HD13 ILE 5 3HD1 ILE 5 1.498 6.858 -8.659 53 H VAL 6 H VAL 6 5.602 5.488 -4.300 54 HA VAL 6 HA VAL 6 5.023 7.470 -2.233 55 HB VAL 6 HB VAL 6 5.712 4.564 -1.816 56 HG11 VAL 6 1HG1 VAL 6 4.338 4.962 0.267 57 HG12 VAL 6 2HG1 VAL 6 5.899 5.783 0.205 58 HG13 VAL 6 3HG1 VAL 6 4.415 6.681 -0.116 59 HG21 VAL 6 1HG2 VAL 6 3.828 4.228 -3.042 60 HG22 VAL 6 2HG2 VAL 6 3.067 4.569 -1.488 61 HG23 VAL 6 3HG2 VAL 6 3.188 5.837 -2.707 62 H GLN 7 H GLN 7 7.669 6.349 -3.928 63 HA GLN 7 HA GLN 7 9.673 6.073 -2.019 64 HB2 GLN 7 2HB GLN 7 11.204 6.886 -3.886 65 HB3 GLN 7 3HB GLN 7 10.212 5.477 -4.236 66 HG2 GLN 7 2HG GLN 7 8.875 6.608 -5.712 67 HG3 GLN 7 3HG GLN 7 9.189 8.173 -4.964 68 HE21 GLN 7 1HE2 GLN 7 10.736 5.603 -6.831 69 HE22 GLN 7 2HE2 GLN 7 11.809 6.640 -7.703 70 H ARG 8 H ARG 8 8.060 8.913 -3.184 71 HA ARG 8 HA ARG 8 10.037 10.739 -2.128 72 HB2 ARG 8 2HB ARG 8 8.942 11.542 -4.053 73 HB3 ARG 8 3HB ARG 8 7.356 11.084 -3.446 74 HG2 ARG 8 2HG ARG 8 7.325 12.873 -1.902 75 HG3 ARG 8 3HG ARG 8 9.037 13.214 -2.158 76 HD2 ARG 8 2HD ARG 8 8.231 13.539 -4.654 77 HD3 ARG 8 3HD ARG 8 6.688 13.861 -3.864 78 HE ARG 8 HE ARG 8 7.535 15.845 -3.073 79 HH11 ARG 8 1HH1 ARG 8 10.123 13.890 -4.338 80 HH12 ARG 8 2HH1 ARG 8 11.299 15.159 -4.251 81 HH21 ARG 8 1HH2 ARG 8 9.074 17.524 -2.955 82 HH22 ARG 8 2HH2 ARG 8 10.701 17.226 -3.464 83 H ILE 9 H ILE 9 7.481 8.950 -0.873 84 HA ILE 9 HA ILE 9 6.533 8.862 1.196 85 HB ILE 9 HB ILE 9 8.306 11.153 2.024 86 HG12 ILE 9 2HG1 ILE 9 9.743 9.500 0.985 87 HG13 ILE 9 3HG1 ILE 9 9.942 9.417 2.732 88 HG21 ILE 9 1HG2 ILE 9 6.578 9.197 3.384 89 HG22 ILE 9 2HG2 ILE 9 8.148 9.478 4.135 90 HG23 ILE 9 3HG2 ILE 9 7.046 10.828 3.863 91 HD11 ILE 9 1HD1 ILE 9 8.612 7.436 2.848 92 HD12 ILE 9 2HD1 ILE 9 8.186 7.566 1.141 93 HD13 ILE 9 3HD1 ILE 9 9.848 7.212 1.611 94 H LYS 10 H LYS 10 6.024 11.109 -0.963 95 HA LYS 10 HA LYS 10 4.942 13.360 0.186 96 HB2 LYS 10 2HB LYS 10 3.493 13.520 -1.788 97 HB3 LYS 10 3HB LYS 10 5.132 13.059 -2.231 98 HG2 LYS 10 2HG LYS 10 3.997 10.626 -1.953 99 HG3 LYS 10 3HG LYS 10 2.611 11.575 -2.494 100 HD2 LYS 10 2HD LYS 10 5.288 11.494 -3.883 101 HD3 LYS 10 3HD LYS 10 3.881 10.537 -4.355 102 HE2 LYS 10 2HE LYS 10 3.028 13.219 -4.120 103 HE3 LYS 10 3HE LYS 10 4.537 13.236 -5.030 104 HZ1 LYS 10 1HZ LYS 10 2.473 11.277 -5.747 105 HZ2 LYS 10 2HZ LYS 10 3.638 12.017 -6.724 106 HZ3 LYS 10 3HZ LYS 10 2.271 12.885 -6.234 107 H ASP 11 H ASP 11 3.482 10.165 -0.152 108 HA ASP 11 HA ASP 11 1.294 11.064 1.607 109 HB2 ASP 11 2HB ASP 11 1.242 9.174 -0.738 110 HB3 ASP 11 3HB ASP 11 -0.011 9.144 0.501 111 H PHE 12 H PHE 12 2.316 7.858 0.473 112 HA PHE 12 HA PHE 12 3.023 6.000 1.584 113 HB2 PHE 12 2HB PHE 12 4.374 8.014 2.831 114 HB3 PHE 12 3HB PHE 12 3.490 7.311 4.182 115 HD1 PHE 12 HD1 PHE 12 3.489 4.527 3.828 116 HD2 PHE 12 HD2 PHE 12 6.545 7.299 2.781 117 HE1 PHE 12 HE1 PHE 12 5.167 2.735 3.995 118 HE2 PHE 12 HE2 PHE 12 8.227 5.511 2.946 119 HZ PHE 12 HZ PHE 12 7.540 3.226 3.553 120 H LEU 13 H LEU 13 1.615 7.923 4.233 121 HA LEU 13 HA LEU 13 -0.405 5.803 4.566 122 HB2 LEU 13 2HB LEU 13 0.491 7.551 6.820 123 HB3 LEU 13 3HB LEU 13 -0.272 5.963 6.877 124 HG LEU 13 HG LEU 13 2.569 6.476 6.000 125 HD11 LEU 13 1HD1 LEU 13 1.618 5.274 8.590 126 HD12 LEU 13 2HD1 LEU 13 2.100 6.960 8.413 127 HD13 LEU 13 3HD1 LEU 13 3.271 5.674 8.124 128 HD21 LEU 13 1HD2 LEU 13 2.825 4.199 5.776 129 HD22 LEU 13 2HD2 LEU 13 1.180 4.425 5.180 130 HD23 LEU 13 3HD2 LEU 13 1.451 3.832 6.820 131 H ARG 14 H ARG 14 0.080 8.961 3.701 132 HA ARG 14 HA ARG 14 -2.356 10.024 4.872 133 HB2 ARG 14 2HB ARG 14 -0.062 11.128 3.341 134 HB3 ARG 14 3HB ARG 14 -1.603 11.959 3.176 135 HG2 ARG 14 2HG ARG 14 -1.682 12.514 5.443 136 HG3 ARG 14 3HG ARG 14 -0.454 11.320 5.868 137 HD2 ARG 14 2HD ARG 14 1.190 12.779 5.521 138 HD3 ARG 14 3HD ARG 14 0.557 13.204 3.931 139 HE ARG 14 HE ARG 14 -0.948 14.422 6.015 140 HH11 ARG 14 1HH1 ARG 14 2.027 14.661 4.224 141 HH12 ARG 14 2HH1 ARG 14 2.184 16.370 4.461 142 HH21 ARG 14 1HH2 ARG 14 -0.753 16.672 6.334 143 HH22 ARG 14 2HH2 ARG 14 0.603 17.513 5.662 144 H ASN 15 H ASN 15 -1.909 7.908 2.532 145 HA ASN 15 HA ASN 15 -3.547 9.104 0.460 146 HB2 ASN 15 2HB ASN 15 -1.564 7.315 0.292 147 HB3 ASN 15 3HB ASN 15 -2.918 6.197 0.429 148 HD21 ASN 15 1HD2 ASN 15 -3.664 5.542 -1.440 149 HD22 ASN 15 2HD2 ASN 15 -3.691 6.451 -2.909 150 H LEU 16 H LEU 16 -4.143 7.673 3.381 151 HA LEU 16 HA LEU 16 -6.660 6.441 2.506 152 HB2 LEU 16 2HB LEU 16 -5.627 6.309 5.305 153 HB3 LEU 16 3HB LEU 16 -6.659 5.171 4.442 154 HG LEU 16 HG LEU 16 -3.705 5.562 3.959 155 HD11 LEU 16 1HD1 LEU 16 -3.752 4.487 5.993 156 HD12 LEU 16 2HD1 LEU 16 -3.769 3.124 4.874 157 HD13 LEU 16 3HD1 LEU 16 -5.266 3.654 5.641 158 HD21 LEU 16 1HD2 LEU 16 -4.574 4.810 1.937 159 HD22 LEU 16 2HD2 LEU 16 -5.795 3.806 2.720 160 HD23 LEU 16 3HD2 LEU 16 -4.099 3.320 2.752 161 H VAL 17 H VAL 17 -5.318 8.954 4.555 162 HA VAL 17 HA VAL 17 -7.826 9.686 5.736 163 HB VAL 17 HB VAL 17 -5.673 10.130 6.861 164 HG11 VAL 17 1HG1 VAL 17 -4.717 10.925 4.503 165 HG12 VAL 17 2HG1 VAL 17 -5.158 12.501 5.162 166 HG13 VAL 17 3HG1 VAL 17 -4.030 11.463 6.035 167 HG21 VAL 17 1HG2 VAL 17 -7.636 11.405 7.501 168 HG22 VAL 17 2HG2 VAL 17 -6.197 12.420 7.594 169 HG23 VAL 17 3HG2 VAL 17 -7.307 12.588 6.234 Start of MODEL 19 1 H1 GLU 1 H GLU 1 2.979 -0.065 -0.300 2 HA GLU 1 HA GLU 1 3.526 -1.208 -2.820 3 HB2 GLU 1 2HB GLU 1 2.262 1.538 -2.874 4 HB3 GLU 1 3HB GLU 1 3.074 0.781 -4.237 5 HG2 GLU 1 2HG GLU 1 0.944 -0.823 -3.011 6 HG3 GLU 1 3HG GLU 1 0.415 0.671 -3.782 7 H PHE 2 H PHE 2 3.752 2.191 -1.803 8 HA PHE 2 HA PHE 2 5.529 3.516 -1.292 9 HB2 PHE 2 2HB PHE 2 5.992 1.774 0.418 10 HB3 PHE 2 3HB PHE 2 6.992 0.924 -0.756 11 HD1 PHE 2 HD1 PHE 2 6.817 4.583 -0.242 12 HD2 PHE 2 HD2 PHE 2 9.086 1.022 0.293 13 HE1 PHE 2 HE1 PHE 2 8.759 5.928 0.447 14 HE2 PHE 2 HE2 PHE 2 11.031 2.360 0.984 15 HZ PHE 2 HZ PHE 2 10.869 4.817 1.062 16 H LYS 3 H LYS 3 5.230 1.825 -3.941 17 HA LYS 3 HA LYS 3 7.823 2.675 -5.056 18 HB2 LYS 3 2HB LYS 3 7.730 0.837 -6.619 19 HB3 LYS 3 3HB LYS 3 7.556 0.206 -4.986 20 HG2 LYS 3 2HG LYS 3 4.983 0.807 -6.141 21 HG3 LYS 3 3HG LYS 3 5.908 -0.291 -7.168 22 HD2 LYS 3 2HD LYS 3 6.060 -0.962 -4.332 23 HD3 LYS 3 3HD LYS 3 4.416 -1.012 -4.973 24 HE2 LYS 3 2HE LYS 3 5.690 -2.296 -6.945 25 HE3 LYS 3 3HE LYS 3 6.762 -2.703 -5.606 26 HZ1 LYS 3 1HZ LYS 3 3.954 -3.441 -6.029 27 HZ2 LYS 3 2HZ LYS 3 4.518 -3.281 -4.442 28 HZ3 LYS 3 3HZ LYS 3 5.247 -4.390 -5.491 29 H ARG 4 H ARG 4 4.490 3.091 -5.083 30 HA ARG 4 HA ARG 4 4.298 3.911 -7.858 31 HB2 ARG 4 2HB ARG 4 1.953 4.451 -7.290 32 HB3 ARG 4 3HB ARG 4 2.384 2.799 -6.868 33 HG2 ARG 4 2HG ARG 4 2.921 4.017 -4.537 34 HG3 ARG 4 3HG ARG 4 1.635 5.064 -5.142 35 HD2 ARG 4 2HD ARG 4 1.314 2.090 -5.195 36 HD3 ARG 4 3HD ARG 4 1.034 2.986 -3.702 37 HE ARG 4 HE ARG 4 -0.655 2.913 -6.016 38 HH11 ARG 4 1HH1 ARG 4 0.306 4.805 -3.256 39 HH12 ARG 4 2HH1 ARG 4 -1.176 5.699 -3.189 40 HH21 ARG 4 1HH2 ARG 4 -2.611 4.084 -5.938 41 HH22 ARG 4 2HH2 ARG 4 -2.835 5.288 -4.714 42 H ILE 5 H ILE 5 6.186 5.458 -7.138 43 HA ILE 5 HA ILE 5 6.875 7.625 -7.025 44 HB ILE 5 HB ILE 5 4.018 8.548 -7.023 45 HG12 ILE 5 2HG1 ILE 5 4.054 6.896 -8.763 46 HG13 ILE 5 3HG1 ILE 5 4.155 8.476 -9.533 47 HG21 ILE 5 1HG2 ILE 5 6.673 9.674 -7.702 48 HG22 ILE 5 2HG2 ILE 5 5.298 10.196 -8.673 49 HG23 ILE 5 3HG2 ILE 5 5.283 10.433 -6.926 50 HD11 ILE 5 1HD1 ILE 5 6.572 8.183 -9.783 51 HD12 ILE 5 2HD1 ILE 5 6.443 6.584 -9.048 52 HD13 ILE 5 3HD1 ILE 5 5.657 6.912 -10.593 53 H VAL 6 H VAL 6 5.675 6.014 -4.651 54 HA VAL 6 HA VAL 6 5.159 8.207 -2.788 55 HB VAL 6 HB VAL 6 5.134 5.253 -2.177 56 HG11 VAL 6 1HG1 VAL 6 3.346 6.373 -0.514 57 HG12 VAL 6 2HG1 VAL 6 5.053 6.172 -0.113 58 HG13 VAL 6 3HG1 VAL 6 4.462 7.724 -0.709 59 HG21 VAL 6 1HG2 VAL 6 3.574 5.818 -4.024 60 HG22 VAL 6 2HG2 VAL 6 2.759 5.252 -2.566 61 HG23 VAL 6 3HG2 VAL 6 2.781 6.972 -2.953 62 H GLN 7 H GLN 7 7.814 6.779 -4.005 63 HA GLN 7 HA GLN 7 9.379 6.038 -1.819 64 HB2 GLN 7 2HB GLN 7 11.291 6.352 -3.255 65 HB3 GLN 7 3HB GLN 7 9.979 5.661 -4.200 66 HG2 GLN 7 2HG GLN 7 10.446 8.614 -4.149 67 HG3 GLN 7 3HG GLN 7 11.376 7.562 -5.215 68 HE21 GLN 7 1HE2 GLN 7 10.006 6.039 -6.541 69 HE22 GLN 7 2HE2 GLN 7 8.571 6.698 -7.242 70 H ARG 8 H ARG 8 8.409 9.164 -2.941 71 HA ARG 8 HA ARG 8 10.428 10.585 -1.436 72 HB2 ARG 8 2HB ARG 8 8.002 11.962 -2.480 73 HB3 ARG 8 3HB ARG 8 9.678 12.494 -2.470 74 HG2 ARG 8 2HG ARG 8 10.141 10.804 -4.250 75 HG3 ARG 8 3HG ARG 8 8.404 10.507 -4.332 76 HD2 ARG 8 2HD ARG 8 8.642 12.072 -5.990 77 HD3 ARG 8 3HD ARG 8 8.292 13.113 -4.610 78 HE ARG 8 HE ARG 8 10.414 13.962 -4.754 79 HH11 ARG 8 1HH1 ARG 8 10.215 11.045 -6.644 80 HH12 ARG 8 2HH1 ARG 8 11.779 11.247 -7.360 81 HH21 ARG 8 1HH2 ARG 8 12.476 14.239 -5.690 82 HH22 ARG 8 2HH2 ARG 8 13.065 13.064 -6.816 83 H ILE 9 H ILE 9 7.758 8.932 -0.551 84 HA ILE 9 HA ILE 9 6.536 8.834 1.368 85 HB ILE 9 HB ILE 9 8.146 11.140 2.443 86 HG12 ILE 9 2HG1 ILE 9 9.764 9.572 1.581 87 HG13 ILE 9 3HG1 ILE 9 9.713 9.407 3.333 88 HG21 ILE 9 1HG2 ILE 9 6.345 9.078 3.547 89 HG22 ILE 9 2HG2 ILE 9 7.781 9.453 4.498 90 HG23 ILE 9 3HG2 ILE 9 6.642 10.733 4.081 91 HD11 ILE 9 1HD1 ILE 9 8.401 7.402 3.148 92 HD12 ILE 9 2HD1 ILE 9 8.290 7.596 1.398 93 HD13 ILE 9 3HD1 ILE 9 9.848 7.254 2.151 94 H LYS 10 H LYS 10 6.267 11.059 -0.839 95 HA LYS 10 HA LYS 10 5.062 13.322 0.120 96 HB2 LYS 10 2HB LYS 10 3.548 13.047 -2.001 97 HB3 LYS 10 3HB LYS 10 5.277 13.317 -2.178 98 HG2 LYS 10 2HG LYS 10 5.632 11.291 -3.074 99 HG3 LYS 10 3HG LYS 10 4.476 10.498 -2.001 100 HD2 LYS 10 2HD LYS 10 3.712 12.219 -4.359 101 HD3 LYS 10 3HD LYS 10 3.819 10.457 -4.403 102 HE2 LYS 10 2HE LYS 10 2.244 10.990 -2.185 103 HE3 LYS 10 3HE LYS 10 1.711 12.168 -3.383 104 HZ1 LYS 10 1HZ LYS 10 1.147 10.478 -4.883 105 HZ2 LYS 10 2HZ LYS 10 0.556 9.940 -3.393 106 HZ3 LYS 10 3HZ LYS 10 1.987 9.291 -4.019 107 H ASP 11 H ASP 11 3.596 10.131 -0.314 108 HA ASP 11 HA ASP 11 1.295 11.067 1.275 109 HB2 ASP 11 2HB ASP 11 1.416 9.328 -1.156 110 HB3 ASP 11 3HB ASP 11 0.149 9.040 0.034 111 H PHE 12 H PHE 12 2.282 7.830 0.214 112 HA PHE 12 HA PHE 12 2.841 5.947 1.366 113 HB2 PHE 12 2HB PHE 12 4.185 7.950 2.698 114 HB3 PHE 12 3HB PHE 12 3.265 7.182 3.989 115 HD1 PHE 12 HD1 PHE 12 3.268 4.406 3.419 116 HD2 PHE 12 HD2 PHE 12 6.364 7.249 2.750 117 HE1 PHE 12 HE1 PHE 12 4.942 2.607 3.543 118 HE2 PHE 12 HE2 PHE 12 8.043 5.455 2.872 119 HZ PHE 12 HZ PHE 12 7.333 3.130 3.268 120 H LEU 13 H LEU 13 1.427 7.946 3.954 121 HA LEU 13 HA LEU 13 -0.703 5.926 4.216 122 HB2 LEU 13 2HB LEU 13 0.166 7.665 6.486 123 HB3 LEU 13 3HB LEU 13 -0.659 6.109 6.528 124 HG LEU 13 HG LEU 13 2.238 6.518 5.790 125 HD11 LEU 13 1HD1 LEU 13 1.026 5.431 8.327 126 HD12 LEU 13 2HD1 LEU 13 1.785 7.012 8.151 127 HD13 LEU 13 3HD1 LEU 13 2.745 5.546 7.952 128 HD21 LEU 13 1HD2 LEU 13 0.618 4.458 5.060 129 HD22 LEU 13 2HD2 LEU 13 1.262 3.872 6.593 130 HD23 LEU 13 3HD2 LEU 13 2.362 4.334 5.293 131 H ARG 14 H ARG 14 -0.046 9.049 3.337 132 HA ARG 14 HA ARG 14 -2.383 10.319 4.441 133 HB2 ARG 14 2HB ARG 14 -0.005 11.144 3.072 134 HB3 ARG 14 3HB ARG 14 -1.404 11.797 2.230 135 HG2 ARG 14 2HG ARG 14 -1.936 13.199 3.914 136 HG3 ARG 14 3HG ARG 14 -1.418 12.066 5.165 137 HD2 ARG 14 2HD ARG 14 0.961 12.627 4.071 138 HD3 ARG 14 3HD ARG 14 0.120 14.134 3.710 139 HE ARG 14 HE ARG 14 0.960 13.187 6.298 140 HH11 ARG 14 1HH1 ARG 14 -1.196 15.299 4.562 141 HH12 ARG 14 2HH1 ARG 14 -1.429 16.375 5.900 142 HH21 ARG 14 1HH2 ARG 14 0.662 14.597 8.066 143 HH22 ARG 14 2HH2 ARG 14 -0.371 15.975 7.892 144 H ASN 15 H ASN 15 -1.939 8.110 2.021 145 HA ASN 15 HA ASN 15 -3.953 9.187 0.216 146 HB2 ASN 15 2HB ASN 15 -1.750 7.712 -0.286 147 HB3 ASN 15 3HB ASN 15 -2.946 6.426 -0.162 148 HD21 ASN 15 1HD2 ASN 15 -5.164 7.660 -1.206 149 HD22 ASN 15 2HD2 ASN 15 -4.898 8.000 -2.879 150 H LEU 16 H LEU 16 -4.178 7.851 3.102 151 HA LEU 16 HA LEU 16 -6.460 6.121 2.414 152 HB2 LEU 16 2HB LEU 16 -5.257 4.685 3.661 153 HB3 LEU 16 3HB LEU 16 -4.354 5.973 4.457 154 HG LEU 16 HG LEU 16 -6.293 6.354 5.950 155 HD11 LEU 16 1HD1 LEU 16 -7.560 4.581 4.075 156 HD12 LEU 16 2HD1 LEU 16 -8.277 5.564 5.351 157 HD13 LEU 16 3HD1 LEU 16 -7.685 3.943 5.714 158 HD21 LEU 16 1HD2 LEU 16 -5.629 3.457 6.166 159 HD22 LEU 16 2HD2 LEU 16 -5.688 4.698 7.418 160 HD23 LEU 16 3HD2 LEU 16 -4.331 4.645 6.291 161 H VAL 17 H VAL 17 -5.353 8.724 4.523 162 HA VAL 17 HA VAL 17 -7.979 9.067 5.697 163 HB VAL 17 HB VAL 17 -5.492 10.758 5.990 164 HG11 VAL 17 1HG1 VAL 17 -7.147 12.201 6.652 165 HG12 VAL 17 2HG1 VAL 17 -8.218 10.903 7.185 166 HG13 VAL 17 3HG1 VAL 17 -6.827 11.360 8.168 167 HG21 VAL 17 1HG2 VAL 17 -4.743 9.293 7.487 168 HG22 VAL 17 2HG2 VAL 17 -6.294 9.275 8.327 169 HG23 VAL 17 3HG2 VAL 17 -6.018 8.193 6.963 Start of MODEL 20 1 H1 GLU 1 H GLU 1 3.575 1.209 0.973 2 HA GLU 1 HA GLU 1 4.345 -0.710 -1.104 3 HB2 GLU 1 2HB GLU 1 2.984 1.982 -1.299 4 HB3 GLU 1 3HB GLU 1 3.391 0.967 -2.675 5 HG2 GLU 1 2HG GLU 1 1.893 -0.518 -0.717 6 HG3 GLU 1 3HG GLU 1 1.035 0.946 -1.194 7 H PHE 2 H PHE 2 4.702 2.822 -0.919 8 HA PHE 2 HA PHE 2 6.488 4.195 -1.240 9 HB2 PHE 2 2HB PHE 2 7.500 2.629 0.509 10 HB3 PHE 2 3HB PHE 2 8.292 1.813 -0.836 11 HD1 PHE 2 HD1 PHE 2 7.810 5.274 0.475 12 HD2 PHE 2 HD2 PHE 2 10.428 2.460 -1.354 13 HE1 PHE 2 HE1 PHE 2 9.634 6.923 0.556 14 HE2 PHE 2 HE2 PHE 2 12.256 4.104 -1.274 15 HZ PHE 2 HZ PHE 2 11.861 6.339 -0.318 16 H LYS 3 H LYS 3 5.437 2.062 -3.297 17 HA LYS 3 HA LYS 3 7.522 2.610 -5.308 18 HB2 LYS 3 2HB LYS 3 7.009 0.524 -6.391 19 HB3 LYS 3 3HB LYS 3 7.336 0.201 -4.693 20 HG2 LYS 3 2HG LYS 3 4.535 0.679 -5.076 21 HG3 LYS 3 3HG LYS 3 5.099 -0.570 -6.188 22 HD2 LYS 3 2HD LYS 3 6.330 -1.379 -3.944 23 HD3 LYS 3 3HD LYS 3 4.920 -0.588 -3.235 24 HE2 LYS 3 2HE LYS 3 3.504 -1.947 -4.809 25 HE3 LYS 3 3HE LYS 3 4.961 -2.845 -5.231 26 HZ1 LYS 3 1HZ LYS 3 4.865 -2.828 -2.479 27 HZ2 LYS 3 2HZ LYS 3 4.534 -4.136 -3.499 28 HZ3 LYS 3 3HZ LYS 3 3.275 -3.137 -2.969 29 H ARG 4 H ARG 4 4.281 2.995 -4.385 30 HA ARG 4 HA ARG 4 3.582 3.913 -7.097 31 HB2 ARG 4 2HB ARG 4 2.087 2.278 -5.144 32 HB3 ARG 4 3HB ARG 4 1.159 3.543 -5.937 33 HG2 ARG 4 2HG ARG 4 2.204 2.558 -8.112 34 HG3 ARG 4 3HG ARG 4 2.457 1.130 -7.107 35 HD2 ARG 4 2HD ARG 4 0.039 1.184 -6.530 36 HD3 ARG 4 3HD ARG 4 -0.163 2.509 -7.676 37 HE ARG 4 HE ARG 4 1.054 0.421 -9.043 38 HH11 ARG 4 1HH1 ARG 4 -1.961 1.055 -7.422 39 HH12 ARG 4 2HH1 ARG 4 -2.876 -0.024 -8.422 40 HH21 ARG 4 1HH2 ARG 4 -0.139 -1.002 -10.366 41 HH22 ARG 4 2HH2 ARG 4 -1.838 -1.194 -10.096 42 H ILE 5 H ILE 5 4.214 6.037 -6.782 43 HA ILE 5 HA ILE 5 4.030 8.215 -6.147 44 HB ILE 5 HB ILE 5 1.319 7.623 -5.005 45 HG12 ILE 5 2HG1 ILE 5 0.844 8.250 -7.641 46 HG13 ILE 5 3HG1 ILE 5 2.243 7.188 -7.756 47 HG21 ILE 5 1HG2 ILE 5 2.741 9.962 -6.162 48 HG22 ILE 5 2HG2 ILE 5 0.995 9.857 -6.375 49 HG23 ILE 5 3HG2 ILE 5 1.686 9.863 -4.752 50 HD11 ILE 5 1HD1 ILE 5 0.865 5.468 -7.612 51 HD12 ILE 5 2HD1 ILE 5 0.487 5.955 -5.960 52 HD13 ILE 5 3HD1 ILE 5 -0.503 6.535 -7.298 53 H VAL 6 H VAL 6 4.722 5.974 -4.137 54 HA VAL 6 HA VAL 6 4.449 7.639 -1.718 55 HB VAL 6 HB VAL 6 4.659 4.627 -1.829 56 HG11 VAL 6 1HG1 VAL 6 5.673 5.339 0.174 57 HG12 VAL 6 2HG1 VAL 6 4.448 6.581 0.446 58 HG13 VAL 6 3HG1 VAL 6 4.030 4.875 0.618 59 HG21 VAL 6 1HG2 VAL 6 2.265 5.505 -0.600 60 HG22 VAL 6 2HG2 VAL 6 2.408 6.342 -2.146 61 HG23 VAL 6 3HG2 VAL 6 2.454 4.580 -2.090 62 H GLN 7 H GLN 7 6.565 6.274 -3.955 63 HA GLN 7 HA GLN 7 8.806 5.609 -2.448 64 HB2 GLN 7 2HB GLN 7 8.913 5.052 -4.718 65 HB3 GLN 7 3HB GLN 7 8.451 6.669 -5.233 66 HG2 GLN 7 2HG GLN 7 10.562 7.493 -5.034 67 HG3 GLN 7 3HG GLN 7 11.003 6.360 -3.757 68 HE21 GLN 7 1HE2 GLN 7 12.916 5.784 -4.765 69 HE22 GLN 7 2HE2 GLN 7 12.956 4.803 -6.186 70 H ARG 8 H ARG 8 7.419 8.693 -3.123 71 HA ARG 8 HA ARG 8 9.797 10.203 -2.517 72 HB2 ARG 8 2HB ARG 8 7.005 11.317 -2.535 73 HB3 ARG 8 3HB ARG 8 8.514 12.130 -2.925 74 HG2 ARG 8 2HG ARG 8 7.228 9.967 -4.579 75 HG3 ARG 8 3HG ARG 8 7.141 11.699 -4.907 76 HD2 ARG 8 2HD ARG 8 9.844 11.234 -4.619 77 HD3 ARG 8 3HD ARG 8 9.271 9.795 -5.461 78 HE ARG 8 HE ARG 8 8.218 12.122 -6.671 79 HH11 ARG 8 1HH1 ARG 8 11.173 10.311 -6.341 80 HH12 ARG 8 2HH1 ARG 8 11.819 10.839 -7.859 81 HH21 ARG 8 1HH2 ARG 8 9.058 12.824 -8.672 82 HH22 ARG 8 2HH2 ARG 8 10.616 12.269 -9.184 83 H ILE 9 H ILE 9 7.128 8.873 -0.772 84 HA ILE 9 HA ILE 9 6.828 8.644 1.488 85 HB ILE 9 HB ILE 9 9.503 9.366 1.368 86 HG12 ILE 9 2HG1 ILE 9 8.623 7.519 2.666 87 HG13 ILE 9 3HG1 ILE 9 9.545 8.576 3.729 88 HG21 ILE 9 1HG2 ILE 9 8.722 11.700 1.898 89 HG22 ILE 9 2HG2 ILE 9 8.199 11.085 3.464 90 HG23 ILE 9 3HG2 ILE 9 9.903 11.023 3.018 91 HD11 ILE 9 1HD1 ILE 9 7.564 9.477 4.676 92 HD12 ILE 9 2HD1 ILE 9 6.555 8.685 3.466 93 HD13 ILE 9 3HD1 ILE 9 7.402 7.721 4.674 94 H LYS 10 H LYS 10 6.772 11.500 -0.258 95 HA LYS 10 HA LYS 10 6.124 13.499 1.514 96 HB2 LYS 10 2HB LYS 10 4.753 14.472 -0.313 97 HB3 LYS 10 3HB LYS 10 6.342 13.942 -0.849 98 HG2 LYS 10 2HG LYS 10 5.085 13.097 -2.537 99 HG3 LYS 10 3HG LYS 10 5.011 11.730 -1.423 100 HD2 LYS 10 2HD LYS 10 2.789 11.897 -1.693 101 HD3 LYS 10 3HD LYS 10 2.916 13.254 -0.571 102 HE2 LYS 10 2HE LYS 10 3.382 14.648 -2.706 103 HE3 LYS 10 3HE LYS 10 2.670 13.278 -3.556 104 HZ1 LYS 10 1HZ LYS 10 0.726 13.545 -2.003 105 HZ2 LYS 10 2HZ LYS 10 0.925 14.774 -3.147 106 HZ3 LYS 10 3HZ LYS 10 1.391 15.031 -1.542 107 H ASP 11 H ASP 11 4.181 10.781 0.489 108 HA ASP 11 HA ASP 11 1.991 11.736 2.216 109 HB2 ASP 11 2HB ASP 11 2.010 10.213 -0.351 110 HB3 ASP 11 3HB ASP 11 0.732 9.867 0.811 111 H PHE 12 H PHE 12 2.678 8.510 0.928 112 HA PHE 12 HA PHE 12 3.125 6.519 1.947 113 HB2 PHE 12 2HB PHE 12 4.600 8.264 3.418 114 HB3 PHE 12 3HB PHE 12 3.527 7.621 4.657 115 HD1 PHE 12 HD1 PHE 12 6.132 6.778 2.207 116 HD2 PHE 12 HD2 PHE 12 3.734 5.378 5.432 117 HE1 PHE 12 HE1 PHE 12 7.557 4.781 2.395 118 HE2 PHE 12 HE2 PHE 12 5.155 3.379 5.626 119 HZ PHE 12 HZ PHE 12 7.070 3.079 4.107 120 H LEU 13 H LEU 13 1.718 8.430 4.607 121 HA LEU 13 HA LEU 13 -0.533 6.528 4.650 122 HB2 LEU 13 2HB LEU 13 0.383 8.035 7.068 123 HB3 LEU 13 3HB LEU 13 -0.584 6.564 6.978 124 HG LEU 13 HG LEU 13 2.351 6.708 6.298 125 HD11 LEU 13 1HD1 LEU 13 1.116 5.597 8.806 126 HD12 LEU 13 2HD1 LEU 13 1.802 7.218 8.698 127 HD13 LEU 13 3HD1 LEU 13 2.828 5.807 8.437 128 HD21 LEU 13 1HD2 LEU 13 0.564 4.338 6.830 129 HD22 LEU 13 2HD2 LEU 13 2.262 4.303 6.355 130 HD23 LEU 13 3HD2 LEU 13 1.042 4.896 5.226 131 H ARG 14 H ARG 14 0.369 9.676 4.082 132 HA ARG 14 HA ARG 14 -1.912 11.018 5.192 133 HB2 ARG 14 2HB ARG 14 0.247 11.838 3.257 134 HB3 ARG 14 3HB ARG 14 -1.099 12.899 3.653 135 HG2 ARG 14 2HG ARG 14 -0.448 12.732 6.046 136 HG3 ARG 14 3HG ARG 14 0.975 11.818 5.545 137 HD2 ARG 14 2HD ARG 14 1.798 13.682 4.277 138 HD3 ARG 14 3HD ARG 14 0.308 14.584 4.553 139 HE ARG 14 HE ARG 14 1.288 14.056 7.054 140 HH11 ARG 14 1HH1 ARG 14 2.490 15.638 4.196 141 HH12 ARG 14 2HH1 ARG 14 3.503 16.737 5.072 142 HH21 ARG 14 1HH2 ARG 14 2.618 15.497 8.219 143 HH22 ARG 14 2HH2 ARG 14 3.575 16.656 7.360 144 H ASN 15 H ASN 15 -1.572 8.939 2.643 145 HA ASN 15 HA ASN 15 -3.311 10.237 0.756 146 HB2 ASN 15 2HB ASN 15 -1.555 8.016 0.727 147 HB3 ASN 15 3HB ASN 15 -3.157 7.402 0.332 148 HD21 ASN 15 1HD2 ASN 15 -0.611 7.922 -1.223 149 HD22 ASN 15 2HD2 ASN 15 -1.144 8.801 -2.612 150 H LEU 16 H LEU 16 -3.843 8.782 3.677 151 HA LEU 16 HA LEU 16 -5.759 8.219 4.777 152 HB2 LEU 16 2HB LEU 16 -7.332 8.621 2.260 153 HB3 LEU 16 3HB LEU 16 -7.850 8.825 3.933 154 HG LEU 16 HG LEU 16 -6.081 10.664 2.328 155 HD11 LEU 16 1HD1 LEU 16 -8.684 10.604 2.159 156 HD12 LEU 16 2HD1 LEU 16 -7.839 12.145 2.301 157 HD13 LEU 16 3HD1 LEU 16 -8.608 11.428 3.717 158 HD21 LEU 16 1HD2 LEU 16 -6.069 12.083 4.353 159 HD22 LEU 16 2HD2 LEU 16 -5.204 10.562 4.571 160 HD23 LEU 16 3HD2 LEU 16 -6.820 10.763 5.250 161 H VAL 17 H VAL 17 -6.422 7.136 1.444 162 HA VAL 17 HA VAL 17 -6.994 5.092 0.609 163 HB VAL 17 HB VAL 17 -4.952 4.177 2.640 164 HG11 VAL 17 1HG1 VAL 17 -4.854 2.424 0.539 165 HG12 VAL 17 2HG1 VAL 17 -5.664 2.130 2.079 166 HG13 VAL 17 3HG1 VAL 17 -6.584 2.730 0.698 167 HG21 VAL 17 1HG2 VAL 17 -3.521 4.100 0.511 168 HG22 VAL 17 2HG2 VAL 17 -4.752 5.149 -0.192 169 HG23 VAL 17 3HG2 VAL 17 -3.849 5.678 1.227
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