NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
10634 | 1q2n | 5656 | cing | recoord | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H VAL 1 1HT VAL 1 8.225 -0.903 11.847 2 2H VAL 1 2HT VAL 1 9.679 -1.748 11.503 3 3H VAL 1 3HT VAL 1 9.570 -0.758 12.901 4 HA VAL 1 HA VAL 1 8.244 -2.189 14.004 5 HB VAL 1 HB VAL 1 7.228 -4.195 12.784 6 1HG1 VAL 1 1HG1 VAL 1 5.313 -2.774 11.934 7 2HG1 VAL 1 2HG1 VAL 1 6.290 -1.368 12.357 8 3HG1 VAL 1 3HG1 VAL 1 5.792 -2.505 13.610 9 1HG2 VAL 1 1HG2 VAL 1 7.943 -2.444 10.438 10 2HG2 VAL 1 2HG2 VAL 1 6.730 -3.721 10.367 11 3HG2 VAL 1 3HG2 VAL 1 8.411 -4.121 10.715 12 H ASP 2 H ASP 2 9.315 -3.633 15.185 13 HA ASP 2 HA ASP 2 11.594 -4.983 13.991 14 1HB ASP 2 1HB ASP 2 11.921 -3.514 15.988 15 2HB ASP 2 1HB ASP 2 10.961 -4.658 16.921 16 H ASN 3 H ASN 3 8.551 -5.627 15.537 17 HA ASN 3 HA ASN 3 9.051 -8.518 15.242 18 1HB ASN 3 1HB ASN 3 8.450 -7.086 17.626 19 2HB ASN 3 1HB ASN 3 7.047 -8.073 17.228 20 1HD2 ASN 3 1HD2 ASN 3 7.105 -10.186 17.644 21 2HD2 ASN 3 2HD2 ASN 3 8.492 -11.050 18.204 22 H LYS 4 H LYS 4 7.296 -5.978 14.056 23 HA LYS 4 HA LYS 4 4.816 -7.481 13.784 24 1HB LYS 4 1HB LYS 4 5.359 -4.737 12.673 25 2HB LYS 4 1HB LYS 4 3.805 -5.482 13.005 26 1HG LYS 4 1HG LYS 4 4.878 -5.538 15.467 27 2HG LYS 4 1HG LYS 4 5.676 -4.106 14.814 28 1HD LYS 4 1HD LYS 4 3.399 -3.291 14.115 29 2HD LYS 4 1HD LYS 4 2.717 -4.625 15.047 30 1HE LYS 4 1HE LYS 4 4.495 -2.441 16.130 31 2HE LYS 4 1HE LYS 4 2.746 -2.539 16.332 32 1HZ LYS 4 1HZ LYS 4 2.946 -4.420 17.690 33 2HZ LYS 4 2HZ LYS 4 4.159 -3.373 18.233 34 3HZ LYS 4 3HZ LYS 4 4.558 -4.691 17.250 35 H PHE 5 H PHE 5 6.291 -5.398 11.328 36 HA PHE 5 HA PHE 5 6.078 -7.634 9.426 37 1HB PHE 5 1HB PHE 5 5.746 -4.673 8.938 38 2HB PHE 5 1HB PHE 5 5.641 -5.927 7.705 39 HD1 PHE 5 HD1 PHE 5 3.532 -3.820 8.618 40 HD2 PHE 5 HD2 PHE 5 4.152 -7.932 9.523 41 HE1 PHE 5 HE1 PHE 5 1.137 -4.072 9.099 42 HE2 PHE 5 HE2 PHE 5 1.756 -8.191 10.003 43 HZ PHE 5 HZ PHE 5 0.244 -6.260 9.792 44 H ASN 6 H ASN 6 7.399 -6.625 7.289 45 HA ASN 6 HA ASN 6 10.141 -6.256 8.304 46 1HB ASN 6 1HB ASN 6 9.196 -8.328 6.772 47 2HB ASN 6 1HB ASN 6 9.860 -7.246 5.552 48 1HD2 ASN 6 1HD2 ASN 6 10.573 -9.815 7.372 49 2HD2 ASN 6 2HD2 ASN 6 12.283 -9.624 7.531 50 H LYS 7 H LYS 7 11.591 -5.357 6.415 51 HA LYS 7 HA LYS 7 10.800 -2.695 5.993 52 1HB LYS 7 1HB LYS 7 12.801 -2.600 4.475 53 2HB LYS 7 1HB LYS 7 13.127 -3.191 6.099 54 1HG LYS 7 1HG LYS 7 14.165 -4.899 5.136 55 2HG LYS 7 1HG LYS 7 12.568 -5.489 4.673 56 1HD LYS 7 1HD LYS 7 13.575 -5.445 2.620 57 2HD LYS 7 1HD LYS 7 12.921 -3.806 2.665 58 1HE LYS 7 1HE LYS 7 15.623 -4.219 3.808 59 2HE LYS 7 1HE LYS 7 15.467 -4.335 2.056 60 1HZ LYS 7 1HZ LYS 7 16.001 -2.081 2.810 61 2HZ LYS 7 2HZ LYS 7 14.557 -2.028 3.690 62 3HZ LYS 7 3HZ LYS 7 14.514 -2.138 2.003 63 H GLU 8 H GLU 8 10.771 -5.512 3.852 64 HA GLU 8 HA GLU 8 10.127 -4.238 1.458 65 1HB GLU 8 1HB GLU 8 9.161 -6.416 0.771 66 2HB GLU 8 1HB GLU 8 10.753 -6.572 1.499 67 1HG GLU 8 1HG GLU 8 9.987 -7.751 3.250 68 2HG GLU 8 1HG GLU 8 8.489 -6.827 3.355 69 H GLN 9 H GLN 9 8.122 -5.068 4.192 70 HA GLN 9 HA GLN 9 5.672 -4.451 2.811 71 1HB GLN 9 1HB GLN 9 5.664 -6.236 4.455 72 2HB GLN 9 1HB GLN 9 6.223 -5.126 5.700 73 1HG GLN 9 1HG GLN 9 3.677 -4.551 4.265 74 2HG GLN 9 1HG GLN 9 3.704 -5.771 5.534 75 1HE2 GLN 9 1HE2 GLN 9 2.144 -3.584 5.782 76 2HE2 GLN 9 2HE2 GLN 9 2.769 -2.549 7.009 77 H GLN 10 H GLN 10 7.868 -2.905 5.061 78 HA GLN 10 HA GLN 10 6.076 -0.726 5.606 79 1HB GLN 10 1HB GLN 10 8.844 -1.464 6.440 80 2HB GLN 10 1HB GLN 10 8.329 0.208 6.614 81 1HG GLN 10 1HG GLN 10 6.236 -1.022 7.747 82 2HG GLN 10 1HG GLN 10 7.498 -2.199 8.099 83 1HE2 GLN 10 1HE2 GLN 10 5.987 -0.486 9.880 84 2HE2 GLN 10 2HE2 GLN 10 7.148 0.459 10.733 85 H ASN 11 H ASN 11 8.620 -1.426 3.318 86 HA ASN 11 HA ASN 11 8.985 1.331 2.544 87 1HB ASN 11 1HB ASN 11 10.706 -0.522 2.177 88 2HB ASN 11 1HB ASN 11 9.643 -1.142 0.919 89 1HD2 ASN 11 1HD2 ASN 11 12.312 -0.238 0.627 90 2HD2 ASN 11 2HD2 ASN 11 12.281 1.106 -0.450 91 H ALA 12 H ALA 12 7.120 -1.473 1.567 92 HA ALA 12 HA ALA 12 5.896 -0.281 -0.702 93 1HB ALA 12 1HB ALA 12 4.266 -2.135 -0.504 94 2HB ALA 12 2HB ALA 12 4.999 -2.583 1.035 95 3HB ALA 12 3HB ALA 12 5.937 -2.695 -0.454 96 H PHE 13 H PHE 13 5.142 -0.529 2.724 97 HA PHE 13 HA PHE 13 2.564 0.516 2.710 98 1HB PHE 13 1HB PHE 13 3.855 -0.564 4.634 99 2HB PHE 13 1HB PHE 13 4.560 1.031 4.893 100 HD1 PHE 13 HD1 PHE 13 1.908 -1.108 5.691 101 HD2 PHE 13 HD2 PHE 13 2.872 2.978 5.065 102 HE1 PHE 13 HE1 PHE 13 -0.084 -0.454 6.980 103 HE2 PHE 13 HE2 PHE 13 0.883 3.654 6.355 104 HZ PHE 13 HZ PHE 13 -0.600 1.935 7.314 105 H TYR 14 H TYR 14 5.661 2.157 3.145 106 HA TYR 14 HA TYR 14 4.604 4.765 3.339 107 1HB TYR 14 1HB TYR 14 7.296 3.620 2.709 108 2HB TYR 14 1HB TYR 14 7.011 5.327 2.388 109 HD1 TYR 14 HD1 TYR 14 8.086 3.013 4.789 110 HD2 TYR 14 HD2 TYR 14 5.917 6.650 4.405 111 HE1 TYR 14 HE1 TYR 14 8.532 3.519 7.154 112 HE2 TYR 14 HE2 TYR 14 6.356 7.169 6.768 113 HH TYR 14 HH TYR 14 8.391 6.345 8.486 114 H GLU 15 H GLU 15 5.653 2.797 0.598 115 HA GLU 15 HA GLU 15 5.479 4.726 -1.413 116 1HB GLU 15 1HB GLU 15 5.692 1.864 -1.253 117 2HB GLU 15 1HB GLU 15 4.510 2.285 -2.483 118 1HG GLU 15 1HG GLU 15 6.959 3.871 -2.607 119 2HG GLU 15 1HG GLU 15 7.206 2.143 -2.854 120 H ILE 16 H ILE 16 3.031 2.701 0.080 121 HA ILE 16 HA ILE 16 0.879 3.529 -1.583 122 HB ILE 16 HB ILE 16 1.263 1.875 0.832 123 1HG1 ILE 16 1HG1 ILE 16 -0.754 1.268 -1.265 124 2HG1 ILE 16 1HG1 ILE 16 0.934 1.308 -1.764 125 1HG2 ILE 16 1HG2 ILE 16 -0.472 3.036 1.833 126 2HG2 ILE 16 2HG2 ILE 16 -1.329 1.735 1.007 127 3HG2 ILE 16 3HG2 ILE 16 -1.286 3.350 0.300 128 1HD1 ILE 16 1HD1 ILE 16 -0.345 -0.861 -0.764 129 2HD1 ILE 16 2HD1 ILE 16 0.440 -0.219 0.679 130 3HD1 ILE 16 3HD1 ILE 16 1.402 -0.622 -0.743 131 H LEU 17 H LEU 17 2.145 4.465 1.566 132 HA LEU 17 HA LEU 17 0.067 6.228 2.284 133 1HB LEU 17 1HB LEU 17 2.837 5.704 3.182 134 2HB LEU 17 1HB LEU 17 2.179 7.278 3.583 135 HG LEU 17 HG LEU 17 1.027 4.602 4.370 136 1HD1 LEU 17 1HD1 LEU 17 2.748 6.603 5.692 137 2HD1 LEU 17 2HD1 LEU 17 2.639 4.859 5.931 138 3HD1 LEU 17 3HD1 LEU 17 1.440 5.926 6.663 139 1HD2 LEU 17 1HD2 LEU 17 -0.876 5.881 4.123 140 2HD2 LEU 17 2HD2 LEU 17 -0.051 7.383 4.541 141 3HD2 LEU 17 3HD2 LEU 17 -0.440 6.211 5.800 142 H HIS 18 H HIS 18 2.516 6.478 -0.078 143 HA HIS 18 HA HIS 18 2.424 9.400 -0.069 144 1HB HIS 18 1HB HIS 18 4.603 8.135 -0.141 145 2HB HIS 18 1HB HIS 18 4.175 7.638 -1.774 146 HD1 HIS 18 HD1 HIS 18 4.352 10.966 0.086 147 HD2 HIS 18 HD2 HIS 18 5.300 9.278 -3.591 148 HE1 HIS 18 HE1 HIS 18 5.404 12.817 -1.252 149 HE2 HIS 18 HE2 HIS 18 6.061 11.745 -3.435 150 H LEU 19 H LEU 19 0.487 7.165 -1.444 151 HA LEU 19 HA LEU 19 0.553 8.070 -4.157 152 1HB LEU 19 1HB LEU 19 -1.917 6.792 -3.114 153 2HB LEU 19 1HB LEU 19 -1.093 6.566 -4.623 154 HG LEU 19 HG LEU 19 0.394 5.570 -2.329 155 1HD1 LEU 19 1HD1 LEU 19 -2.244 5.105 -2.097 156 2HD1 LEU 19 2HD1 LEU 19 -1.009 3.957 -1.582 157 3HD1 LEU 19 3HD1 LEU 19 -1.786 3.768 -3.151 158 1HD2 LEU 19 1HD2 LEU 19 1.285 5.056 -4.416 159 2HD2 LEU 19 2HD2 LEU 19 -0.296 4.665 -5.093 160 3HD2 LEU 19 3HD2 LEU 19 0.462 3.573 -3.934 161 HA PRO 20 HA PRO 20 -1.738 11.783 -3.088 162 1HB PRO 20 1HB PRO 20 -1.319 13.125 -5.354 163 2HB PRO 20 1HB PRO 20 -0.018 12.841 -4.190 164 1HG PRO 20 1HG PRO 20 -0.623 11.397 -6.743 165 2HG PRO 20 1HG PRO 20 0.941 11.939 -6.109 166 1HD PRO 20 1HD PRO 20 0.002 9.369 -5.890 167 2HD PRO 20 1HD PRO 20 1.171 10.097 -4.772 168 H ASN 21 H ASN 21 -2.405 9.885 -6.008 169 HA ASN 21 HA ASN 21 -5.012 11.202 -6.186 170 1HB ASN 21 1HB ASN 21 -5.013 9.759 -8.435 171 2HB ASN 21 1HB ASN 21 -4.278 11.351 -8.337 172 1HD2 ASN 21 1HD2 ASN 21 -2.270 11.585 -8.847 173 2HD2 ASN 21 2HD2 ASN 21 -1.163 10.306 -9.138 174 H LEU 22 H LEU 22 -4.414 9.251 -4.192 175 HA LEU 22 HA LEU 22 -6.064 6.972 -5.007 176 1HB LEU 22 1HB LEU 22 -3.705 7.000 -3.675 177 2HB LEU 22 1HB LEU 22 -4.833 6.993 -2.331 178 HG LEU 22 HG LEU 22 -5.820 5.064 -4.049 179 1HD1 LEU 22 1HD1 LEU 22 -4.087 4.586 -5.400 180 2HD1 LEU 22 2HD1 LEU 22 -3.542 3.649 -4.009 181 3HD1 LEU 22 3HD1 LEU 22 -2.894 5.265 -4.293 182 1HD2 LEU 22 1HD2 LEU 22 -4.200 4.947 -1.528 183 2HD2 LEU 22 2HD2 LEU 22 -4.829 3.490 -2.297 184 3HD2 LEU 22 3HD2 LEU 22 -5.939 4.740 -1.734 185 H ASN 23 H ASN 23 -7.553 6.129 -3.276 186 HA ASN 23 HA ASN 23 -8.896 8.386 -1.938 187 1HB ASN 23 1HB ASN 23 -10.027 7.065 -3.930 188 2HB ASN 23 1HB ASN 23 -10.387 5.897 -2.665 189 1HD2 ASN 23 1HD2 ASN 23 -12.363 7.181 -4.045 190 2HD2 ASN 23 2HD2 ASN 23 -13.191 8.263 -2.987 191 H GLU 24 H GLU 24 -10.098 7.833 0.024 192 HA GLU 24 HA GLU 24 -8.538 6.552 1.904 193 1HB GLU 24 1HB GLU 24 -10.650 8.182 2.054 194 2HB GLU 24 1HB GLU 24 -11.460 6.659 2.396 195 1HG GLU 24 1HG GLU 24 -9.874 6.254 4.231 196 2HG GLU 24 1HG GLU 24 -9.130 7.818 3.908 197 H GLU 25 H GLU 25 -11.477 5.362 0.321 198 HA GLU 25 HA GLU 25 -11.679 2.911 1.606 199 1HB GLU 25 1HB GLU 25 -13.418 3.838 0.132 200 2HB GLU 25 1HB GLU 25 -12.387 3.547 -1.263 201 1HG GLU 25 1HG GLU 25 -13.751 1.721 -1.351 202 2HG GLU 25 1HG GLU 25 -12.415 1.082 -0.395 203 H GLN 26 H GLN 26 -9.870 3.744 -1.324 204 HA GLN 26 HA GLN 26 -8.921 1.100 -1.762 205 1HB GLN 26 1HB GLN 26 -7.982 3.769 -2.818 206 2HB GLN 26 1HB GLN 26 -7.320 2.226 -3.341 207 1HG GLN 26 1HG GLN 26 -9.010 1.861 -4.732 208 2HG GLN 26 1HG GLN 26 -10.210 2.280 -3.511 209 1HE2 GLN 26 1HE2 GLN 26 -7.624 4.287 -4.817 210 2HE2 GLN 26 2HE2 GLN 26 -8.658 5.482 -5.516 211 H ARG 27 H ARG 27 -7.385 4.042 -0.478 212 HA ARG 27 HA ARG 27 -4.894 2.913 0.096 213 1HB ARG 27 1HB ARG 27 -5.360 5.342 0.115 214 2HB ARG 27 1HB ARG 27 -6.301 5.138 1.582 215 1HG ARG 27 1HG ARG 27 -4.443 4.753 2.886 216 2HG ARG 27 1HG ARG 27 -3.459 4.236 1.515 217 1HD ARG 27 1HD ARG 27 -2.648 6.366 2.123 218 2HD ARG 27 1HD ARG 27 -3.621 6.617 0.674 219 HE ARG 27 HE ARG 27 -5.382 7.071 2.668 220 1HH1 ARG 27 1HH1 ARG 27 -2.184 8.301 2.006 221 2HH1 ARG 27 2HH1 ARG 27 -2.479 9.829 2.765 222 1HH2 ARG 27 1HH2 ARG 27 -5.772 9.080 3.666 223 2HH2 ARG 27 2HH2 ARG 27 -4.516 10.272 3.707 224 H ASN 28 H ASN 28 -7.931 2.776 1.811 225 HA ASN 28 HA ASN 28 -6.806 1.797 4.255 226 1HB ASN 28 1HB ASN 28 -9.530 2.297 3.196 227 2HB ASN 28 1HB ASN 28 -9.396 1.061 4.443 228 1HD2 ASN 28 1HD2 ASN 28 -10.315 4.033 4.156 229 2HD2 ASN 28 2HD2 ASN 28 -9.705 4.747 5.607 230 H ALA 29 H ALA 29 -8.622 0.319 1.566 231 HA ALA 29 HA ALA 29 -8.597 -2.309 2.523 232 1HB ALA 29 1HB ALA 29 -9.246 -2.980 0.363 233 2HB ALA 29 2HB ALA 29 -8.439 -1.608 -0.396 234 3HB ALA 29 3HB ALA 29 -9.902 -1.354 0.555 235 H PHE 30 H PHE 30 -6.216 -0.472 0.750 236 HA PHE 30 HA PHE 30 -4.464 -2.648 0.206 237 1HB PHE 30 1HB PHE 30 -4.315 0.323 0.003 238 2HB PHE 30 1HB PHE 30 -2.827 -0.607 -0.079 239 HD1 PHE 30 HD1 PHE 30 -5.099 0.967 -2.048 240 HD2 PHE 30 HD2 PHE 30 -3.271 -2.854 -1.647 241 HE1 PHE 30 HE1 PHE 30 -5.540 0.510 -4.426 242 HE2 PHE 30 HE2 PHE 30 -3.706 -3.318 -4.023 243 HZ PHE 30 HZ PHE 30 -4.841 -1.637 -5.416 244 H ILE 31 H ILE 31 -4.255 0.076 2.488 245 HA ILE 31 HA ILE 31 -1.944 -0.729 3.820 246 HB ILE 31 HB ILE 31 -4.342 0.774 4.874 247 1HG1 ILE 31 1HG1 ILE 31 -1.628 1.891 4.219 248 2HG1 ILE 31 1HG1 ILE 31 -2.855 1.695 2.972 249 1HG2 ILE 31 1HG2 ILE 31 -2.347 1.565 6.489 250 2HG2 ILE 31 2HG2 ILE 31 -1.875 -0.113 6.222 251 3HG2 ILE 31 3HG2 ILE 31 -3.464 0.261 6.890 252 1HD1 ILE 31 1HD1 ILE 31 -3.097 3.360 5.465 253 2HD1 ILE 31 2HD1 ILE 31 -4.366 3.135 4.260 254 3HD1 ILE 31 3HD1 ILE 31 -2.865 3.952 3.820 255 H GLN 32 H GLN 32 -5.349 -1.507 4.487 256 HA GLN 32 HA GLN 32 -4.901 -3.096 6.758 257 1HB GLN 32 1HB GLN 32 -7.126 -2.201 5.855 258 2HB GLN 32 1HB GLN 32 -7.109 -3.576 4.759 259 1HG GLN 32 1HG GLN 32 -8.429 -4.262 6.551 260 2HG GLN 32 1HG GLN 32 -6.865 -5.023 6.837 261 1HE2 GLN 32 1HE2 GLN 32 -7.488 -5.221 9.038 262 2HE2 GLN 32 2HE2 GLN 32 -7.366 -3.873 10.110 263 H SER 33 H SER 33 -5.263 -3.981 3.331 264 HA SER 33 HA SER 33 -4.935 -6.723 3.561 265 1HB SER 33 1HB SER 33 -5.514 -5.373 1.467 266 2HB SER 33 1HB SER 33 -3.780 -5.123 1.279 267 HG SER 33 HG SER 33 -4.597 -6.958 0.119 268 H LEU 34 H LEU 34 -2.546 -4.171 3.387 269 HA LEU 34 HA LEU 34 -0.246 -5.802 3.226 270 1HB LEU 34 1HB LEU 34 -0.744 -3.131 3.041 271 2HB LEU 34 1HB LEU 34 0.001 -3.219 4.625 272 HG LEU 34 HG LEU 34 1.906 -4.480 3.497 273 1HD1 LEU 34 1HD1 LEU 34 0.523 -3.384 1.056 274 2HD1 LEU 34 2HD1 LEU 34 0.799 -5.081 1.444 275 3HD1 LEU 34 3HD1 LEU 34 2.165 -4.026 1.086 276 1HD2 LEU 34 1HD2 LEU 34 2.617 -2.413 4.073 277 2HD2 LEU 34 2HD2 LEU 34 1.241 -1.610 3.317 278 3HD2 LEU 34 3HD2 LEU 34 2.591 -2.166 2.327 279 H LYS 35 H LYS 35 -2.109 -4.468 5.888 280 HA LYS 35 HA LYS 35 -0.308 -5.294 7.936 281 1HB LYS 35 1HB LYS 35 -2.352 -3.531 7.857 282 2HB LYS 35 1HB LYS 35 -3.166 -4.903 8.594 283 1HG LYS 35 1HG LYS 35 -2.244 -4.467 10.556 284 2HG LYS 35 1HG LYS 35 -0.626 -4.495 9.855 285 1HD LYS 35 1HD LYS 35 -0.856 -2.162 9.190 286 2HD LYS 35 1HD LYS 35 -2.498 -2.128 9.837 287 1HE LYS 35 1HE LYS 35 -1.585 -1.413 11.742 288 2HE LYS 35 1HE LYS 35 -0.997 -3.061 11.954 289 1HZ LYS 35 1HZ LYS 35 0.911 -2.098 10.405 290 2HZ LYS 35 2HZ LYS 35 0.964 -1.977 12.091 291 3HZ LYS 35 3HZ LYS 35 0.449 -0.659 11.166 292 H ASP 36 H ASP 36 -2.846 -6.823 6.157 293 HA ASP 36 HA ASP 36 -3.278 -8.921 8.086 294 1HB ASP 36 1HB ASP 36 -4.326 -8.259 5.373 295 2HB ASP 36 1HB ASP 36 -4.460 -9.924 5.930 296 H ASP 37 H ASP 37 -2.018 -8.888 4.744 297 HA ASP 37 HA ASP 37 -0.300 -11.169 5.469 298 1HB ASP 37 1HB ASP 37 -2.264 -11.654 3.894 299 2HB ASP 37 1HB ASP 37 -1.387 -10.704 2.699 300 HA PRO 38 HA PRO 38 2.471 -7.643 4.317 301 1HB PRO 38 1HB PRO 38 4.312 -9.374 5.875 302 2HB PRO 38 1HB PRO 38 4.029 -7.635 5.997 303 1HG PRO 38 1HG PRO 38 3.082 -9.299 7.847 304 2HG PRO 38 1HG PRO 38 2.131 -7.903 7.304 305 1HD PRO 38 1HD PRO 38 1.841 -10.792 6.581 306 2HD PRO 38 1HD PRO 38 0.585 -9.578 6.901 307 H SER 39 H SER 39 2.764 -11.113 4.028 308 HA SER 39 HA SER 39 5.127 -11.274 2.544 309 1HB SER 39 1HB SER 39 4.532 -13.497 2.078 310 2HB SER 39 1HB SER 39 3.719 -13.159 3.606 311 HG SER 39 HG SER 39 1.843 -12.621 2.260 312 H GLN 40 H GLN 40 1.784 -10.779 1.483 313 HA GLN 40 HA GLN 40 2.670 -10.634 -1.296 314 1HB GLN 40 1HB GLN 40 -0.078 -10.623 -0.050 315 2HB GLN 40 1HB GLN 40 0.212 -10.449 -1.775 316 1HG GLN 40 1HG GLN 40 1.314 -12.795 -0.292 317 2HG GLN 40 1HG GLN 40 -0.373 -12.770 -0.804 318 1HE2 GLN 40 1HE2 GLN 40 2.377 -14.073 -1.625 319 2HE2 GLN 40 2HE2 GLN 40 2.284 -14.044 -3.350 320 H SER 41 H SER 41 3.421 -8.523 0.591 321 HA SER 41 HA SER 41 1.819 -6.237 0.270 322 1HB SER 41 1HB SER 41 4.789 -6.494 0.783 323 2HB SER 41 1HB SER 41 3.900 -4.974 0.873 324 HG SER 41 HG SER 41 4.239 -6.368 2.871 325 H ALA 42 H ALA 42 4.805 -7.174 -1.471 326 HA ALA 42 HA ALA 42 4.984 -5.121 -3.273 327 1HB ALA 42 1HB ALA 42 6.518 -6.390 -4.323 328 2HB ALA 42 2HB ALA 42 5.425 -7.764 -4.480 329 3HB ALA 42 3HB ALA 42 6.277 -7.485 -2.962 330 H ASN 43 H ASN 43 2.650 -7.707 -3.259 331 HA ASN 43 HA ASN 43 1.700 -7.258 -5.919 332 1HB ASN 43 1HB ASN 43 1.426 -9.397 -4.577 333 2HB ASN 43 1HB ASN 43 0.181 -8.560 -3.654 334 1HD2 ASN 43 1HD2 ASN 43 -1.822 -8.455 -4.448 335 2HD2 ASN 43 2HD2 ASN 43 -2.299 -9.020 -6.009 336 H LEU 44 H LEU 44 0.718 -6.235 -2.685 337 HA LEU 44 HA LEU 44 -1.580 -4.803 -3.562 338 1HB LEU 44 1HB LEU 44 -0.309 -3.990 -1.025 339 2HB LEU 44 1HB LEU 44 -1.989 -4.342 -1.379 340 HG LEU 44 HG LEU 44 0.206 -6.319 -0.800 341 1HD1 LEU 44 1HD1 LEU 44 -1.341 -4.944 0.936 342 2HD1 LEU 44 2HD1 LEU 44 -0.694 -6.556 1.245 343 3HD1 LEU 44 3HD1 LEU 44 -2.345 -6.367 0.654 344 1HD2 LEU 44 1HD2 LEU 44 -1.975 -7.854 -0.918 345 2HD2 LEU 44 2HD2 LEU 44 -0.915 -7.593 -2.303 346 3HD2 LEU 44 3HD2 LEU 44 -2.405 -6.662 -2.145 347 H LEU 45 H LEU 45 1.750 -4.196 -3.579 348 HA LEU 45 HA LEU 45 1.629 -1.319 -3.479 349 1HB LEU 45 1HB LEU 45 3.616 -3.045 -3.008 350 2HB LEU 45 1HB LEU 45 3.917 -2.774 -4.705 351 HG LEU 45 HG LEU 45 4.264 -0.425 -4.357 352 1HD1 LEU 45 1HD1 LEU 45 2.816 0.331 -2.754 353 2HD1 LEU 45 2HD1 LEU 45 4.324 0.301 -1.842 354 3HD1 LEU 45 3HD1 LEU 45 3.156 -1.007 -1.656 355 1HD2 LEU 45 1HD2 LEU 45 5.727 -2.134 -2.354 356 2HD2 LEU 45 2HD2 LEU 45 6.205 -0.495 -2.799 357 3HD2 LEU 45 3HD2 LEU 45 6.209 -1.775 -4.012 358 H ALA 46 H ALA 46 2.542 -3.717 -5.874 359 HA ALA 46 HA ALA 46 2.529 -2.016 -8.103 360 1HB ALA 46 1HB ALA 46 2.656 -4.885 -7.627 361 2HB ALA 46 2HB ALA 46 3.442 -3.910 -8.868 362 3HB ALA 46 3HB ALA 46 1.793 -4.484 -9.112 363 H GLU 47 H GLU 47 -0.030 -3.684 -6.420 364 HA GLU 47 HA GLU 47 -2.013 -3.250 -8.454 365 1HB GLU 47 1HB GLU 47 -1.977 -4.332 -5.694 366 2HB GLU 47 1HB GLU 47 -3.506 -3.673 -6.255 367 1HG GLU 47 1HG GLU 47 -1.920 -5.898 -7.510 368 2HG GLU 47 1HG GLU 47 -3.468 -6.025 -6.674 369 H ALA 48 H ALA 48 -1.296 -1.731 -5.335 370 HA ALA 48 HA ALA 48 -3.316 0.248 -5.555 371 1HB ALA 48 1HB ALA 48 -0.802 0.183 -3.888 372 2HB ALA 48 2HB ALA 48 -2.418 -0.315 -3.385 373 3HB ALA 48 3HB ALA 48 -2.084 1.383 -3.726 374 H LYS 49 H LYS 49 -0.159 -0.114 -6.862 375 HA LYS 49 HA LYS 49 0.278 2.648 -7.437 376 1HB LYS 49 1HB LYS 49 2.140 1.049 -7.133 377 2HB LYS 49 1HB LYS 49 1.594 0.163 -8.546 378 1HG LYS 49 1HG LYS 49 2.599 1.569 -9.956 379 2HG LYS 49 1HG LYS 49 2.038 2.992 -9.078 380 1HD LYS 49 1HD LYS 49 3.986 1.676 -7.477 381 2HD LYS 49 1HD LYS 49 4.635 1.835 -9.110 382 1HE LYS 49 1HE LYS 49 5.279 3.836 -8.178 383 2HE LYS 49 1HE LYS 49 3.740 4.281 -8.914 384 1HZ LYS 49 1HZ LYS 49 2.932 3.505 -6.501 385 2HZ LYS 49 2HZ LYS 49 3.344 5.102 -6.874 386 3HZ LYS 49 3HZ LYS 49 4.469 4.096 -6.111 387 H LYS 50 H LYS 50 -0.750 -0.231 -9.236 388 HA LYS 50 HA LYS 50 -1.063 1.081 -11.731 389 1HB LYS 50 1HB LYS 50 -1.211 -1.539 -10.802 390 2HB LYS 50 1HB LYS 50 -2.849 -1.179 -11.329 391 1HG LYS 50 1HG LYS 50 -2.119 -1.807 -13.342 392 2HG LYS 50 1HG LYS 50 -1.384 -0.204 -13.404 393 1HD LYS 50 1HD LYS 50 0.510 -1.601 -12.046 394 2HD LYS 50 1HD LYS 50 -0.137 -2.850 -13.111 395 1HE LYS 50 1HE LYS 50 0.411 -1.632 -15.046 396 2HE LYS 50 1HE LYS 50 0.659 -0.142 -14.137 397 1HZ LYS 50 1HZ LYS 50 2.410 -2.516 -14.288 398 2HZ LYS 50 2HZ LYS 50 2.545 -1.411 -13.015 399 3HZ LYS 50 3HZ LYS 50 2.792 -0.899 -14.608 400 H LEU 51 H LEU 51 -3.135 0.531 -8.965 401 HA LEU 51 HA LEU 51 -5.523 1.423 -10.208 402 1HB LEU 51 1HB LEU 51 -4.712 1.066 -7.332 403 2HB LEU 51 1HB LEU 51 -6.294 1.672 -7.785 404 HG LEU 51 HG LEU 51 -5.150 -1.040 -8.448 405 1HD1 LEU 51 1HD1 LEU 51 -6.233 -0.273 -6.117 406 2HD1 LEU 51 2HD1 LEU 51 -6.419 -1.895 -6.786 407 3HD1 LEU 51 3HD1 LEU 51 -7.699 -0.700 -7.000 408 1HD2 LEU 51 1HD2 LEU 51 -6.446 -0.346 -10.327 409 2HD2 LEU 51 2HD2 LEU 51 -7.731 0.268 -9.286 410 3HD2 LEU 51 3HD2 LEU 51 -7.430 -1.467 -9.385 411 H ASN 52 H ASN 52 -3.224 2.973 -7.976 412 HA ASN 52 HA ASN 52 -4.463 5.437 -7.815 413 1HB ASN 52 1HB ASN 52 -2.488 4.448 -6.499 414 2HB ASN 52 1HB ASN 52 -1.588 5.227 -7.752 415 1HD2 ASN 52 1HD2 ASN 52 -0.746 7.016 -7.036 416 2HD2 ASN 52 2HD2 ASN 52 -1.564 8.186 -6.073 417 H ASP 53 H ASP 53 -2.109 4.243 -10.088 418 HA ASP 53 HA ASP 53 -1.862 6.738 -11.473 419 1HB ASP 53 1HB ASP 53 -1.108 3.955 -12.390 420 2HB ASP 53 1HB ASP 53 -0.555 5.470 -13.099 421 H ALA 54 H ALA 54 -3.732 3.799 -11.878 422 HA ALA 54 HA ALA 54 -4.766 4.463 -14.438 423 1HB ALA 54 1HB ALA 54 -4.696 2.174 -13.891 424 2HB ALA 54 2HB ALA 54 -6.404 2.610 -13.921 425 3HB ALA 54 3HB ALA 54 -5.568 2.430 -12.379 426 H GLN 55 H GLN 55 -5.745 5.133 -11.152 427 HA GLN 55 HA GLN 55 -8.312 6.185 -12.079 428 1HB GLN 55 1HB GLN 55 -9.047 6.158 -9.810 429 2HB GLN 55 1HB GLN 55 -8.259 4.621 -10.130 430 1HG GLN 55 1HG GLN 55 -6.207 6.155 -9.149 431 2HG GLN 55 1HG GLN 55 -7.590 6.706 -8.212 432 1HE2 GLN 55 1HE2 GLN 55 -5.970 5.694 -6.648 433 2HE2 GLN 55 2HE2 GLN 55 -6.259 4.046 -6.257 434 H ALA 56 H ALA 56 -5.446 7.415 -12.181 435 HA ALA 56 HA ALA 56 -5.860 9.855 -10.660 436 1HB ALA 56 1HB ALA 56 -3.613 8.457 -11.296 437 2HB ALA 56 2HB ALA 56 -3.640 10.137 -10.760 438 3HB ALA 56 3HB ALA 56 -3.571 9.761 -12.482 439 HA PRO 57 HA PRO 57 -7.197 12.712 -13.733 440 1HB PRO 57 1HB PRO 57 -4.530 14.032 -13.763 441 2HB PRO 57 1HB PRO 57 -6.130 14.729 -13.485 442 1HG PRO 57 1HG PRO 57 -4.449 14.354 -11.459 443 2HG PRO 57 1HG PRO 57 -6.186 14.050 -11.267 444 1HD PRO 57 1HD PRO 57 -3.944 12.103 -11.606 445 2HD PRO 57 1HD PRO 57 -5.403 11.982 -10.599 446 H LYS 58 H LYS 58 -7.173 13.112 -15.946 447 HA LYS 58 HA LYS 58 -5.590 11.282 -17.507 448 1HB LYS 58 1HB LYS 58 -6.922 12.032 -19.392 449 2HB LYS 58 1HB LYS 58 -7.969 11.707 -18.018 450 1HG LYS 58 1HG LYS 58 -8.863 13.685 -18.622 451 2HG LYS 58 1HG LYS 58 -7.552 14.317 -17.625 452 1HD LYS 58 1HD LYS 58 -6.735 13.796 -20.373 453 2HD LYS 58 1HD LYS 58 -8.051 14.966 -20.261 454 1HE LYS 58 1HE LYS 58 -6.690 16.547 -19.478 455 2HE LYS 58 1HE LYS 58 -6.014 15.461 -18.265 456 1HZ LYS 58 1HZ LYS 58 -5.104 14.882 -20.925 457 2HZ LYS 58 2HZ LYS 58 -4.214 15.105 -19.504 458 3HZ LYS 58 3HZ LYS 58 -4.692 16.444 -20.419 Start of MODEL 2 1 1H VAL 1 1HT VAL 1 6.744 -10.590 21.146 2 2H VAL 1 2HT VAL 1 6.676 -11.420 19.645 3 3H VAL 1 3HT VAL 1 7.358 -9.847 19.729 4 HA VAL 1 HA VAL 1 8.907 -10.957 21.441 5 HB VAL 1 HB VAL 1 8.223 -13.271 19.623 6 1HG1 VAL 1 1HG1 VAL 1 9.992 -14.370 20.479 7 2HG1 VAL 1 2HG1 VAL 1 9.786 -13.670 22.084 8 3HG1 VAL 1 3HG1 VAL 1 10.589 -12.745 20.816 9 1HG2 VAL 1 1HG2 VAL 1 7.805 -13.561 22.517 10 2HG2 VAL 1 2HG2 VAL 1 6.835 -14.144 21.165 11 3HG2 VAL 1 3HG2 VAL 1 6.678 -12.473 21.707 12 H ASP 2 H ASP 2 8.508 -12.012 18.043 13 HA ASP 2 HA ASP 2 11.152 -11.593 17.313 14 1HB ASP 2 1HB ASP 2 9.688 -12.905 15.917 15 2HB ASP 2 1HB ASP 2 8.648 -11.518 15.617 16 H ASN 3 H ASN 3 8.778 -9.608 15.635 17 HA ASN 3 HA ASN 3 9.716 -7.132 16.731 18 1HB ASN 3 1HB ASN 3 11.340 -8.108 14.786 19 2HB ASN 3 1HB ASN 3 10.188 -7.203 13.809 20 1HD2 ASN 3 1HD2 ASN 3 11.584 -5.610 13.204 21 2HD2 ASN 3 2HD2 ASN 3 12.235 -4.446 14.302 22 H LYS 4 H LYS 4 8.968 -5.446 14.618 23 HA LYS 4 HA LYS 4 6.087 -5.782 14.731 24 1HB LYS 4 1HB LYS 4 7.945 -3.550 14.321 25 2HB LYS 4 1HB LYS 4 6.525 -3.482 13.288 26 1HG LYS 4 1HG LYS 4 5.355 -2.654 14.968 27 2HG LYS 4 1HG LYS 4 5.628 -4.139 15.881 28 1HD LYS 4 1HD LYS 4 7.910 -2.301 15.867 29 2HD LYS 4 1HD LYS 4 6.462 -1.649 16.636 30 1HE LYS 4 1HE LYS 4 7.463 -2.704 18.414 31 2HE LYS 4 1HE LYS 4 6.403 -3.981 17.819 32 1HZ LYS 4 1HZ LYS 4 9.296 -3.827 17.815 33 2HZ LYS 4 2HZ LYS 4 8.613 -4.434 16.392 34 3HZ LYS 4 3HZ LYS 4 8.283 -5.180 17.873 35 H PHE 5 H PHE 5 7.746 -4.316 11.993 36 HA PHE 5 HA PHE 5 6.742 -6.464 10.258 37 1HB PHE 5 1HB PHE 5 6.228 -3.539 10.112 38 2HB PHE 5 1HB PHE 5 6.459 -4.401 8.594 39 HD1 PHE 5 HD1 PHE 5 4.667 -4.990 11.805 40 HD2 PHE 5 HD2 PHE 5 4.512 -5.052 7.561 41 HE1 PHE 5 HE1 PHE 5 2.329 -5.751 11.908 42 HE2 PHE 5 HE2 PHE 5 2.178 -5.813 7.648 43 HZ PHE 5 HZ PHE 5 1.083 -6.162 9.826 44 H ASN 6 H ASN 6 7.686 -5.698 7.857 45 HA ASN 6 HA ASN 6 10.594 -5.557 8.293 46 1HB ASN 6 1HB ASN 6 8.889 -7.060 6.371 47 2HB ASN 6 1HB ASN 6 10.458 -6.504 5.798 48 1HD2 ASN 6 1HD2 ASN 6 12.310 -7.409 6.608 49 2HD2 ASN 6 2HD2 ASN 6 12.312 -8.820 7.605 50 H LYS 7 H LYS 7 11.809 -4.641 6.356 51 HA LYS 7 HA LYS 7 11.029 -1.962 5.972 52 1HB LYS 7 1HB LYS 7 13.025 -3.430 4.275 53 2HB LYS 7 1HB LYS 7 12.981 -1.719 4.674 54 1HG LYS 7 1HG LYS 7 14.428 -2.153 6.294 55 2HG LYS 7 1HG LYS 7 13.125 -2.997 7.133 56 1HD LYS 7 1HD LYS 7 13.792 -5.032 5.730 57 2HD LYS 7 1HD LYS 7 15.269 -4.138 5.365 58 1HE LYS 7 1HE LYS 7 16.011 -5.216 7.212 59 2HE LYS 7 1HE LYS 7 15.243 -3.851 8.022 60 1HZ LYS 7 1HZ LYS 7 14.630 -6.590 8.232 61 2HZ LYS 7 2HZ LYS 7 13.279 -5.780 7.616 62 3HZ LYS 7 3HZ LYS 7 13.961 -5.290 9.083 63 H GLU 8 H GLU 8 11.026 -4.739 3.752 64 HA GLU 8 HA GLU 8 10.224 -3.560 1.413 65 1HB GLU 8 1HB GLU 8 9.055 -6.155 2.409 66 2HB GLU 8 1HB GLU 8 9.337 -5.672 0.742 67 1HG GLU 8 1HG GLU 8 11.182 -6.911 0.924 68 2HG GLU 8 1HG GLU 8 11.842 -5.508 1.762 69 H GLN 9 H GLN 9 8.164 -4.471 4.138 70 HA GLN 9 HA GLN 9 5.737 -3.709 2.864 71 1HB GLN 9 1HB GLN 9 5.562 -5.320 4.588 72 2HB GLN 9 1HB GLN 9 6.474 -4.326 5.716 73 1HG GLN 9 1HG GLN 9 3.939 -3.206 4.675 74 2HG GLN 9 1HG GLN 9 3.827 -4.551 5.806 75 1HE2 GLN 9 1HE2 GLN 9 2.764 -2.234 6.542 76 2HE2 GLN 9 2HE2 GLN 9 3.725 -1.467 7.748 77 H GLN 10 H GLN 10 8.098 -2.069 4.867 78 HA GLN 10 HA GLN 10 6.413 0.214 5.317 79 1HB GLN 10 1HB GLN 10 9.167 -0.595 6.102 80 2HB GLN 10 1HB GLN 10 8.784 1.121 6.106 81 1HG GLN 10 1HG GLN 10 6.944 -0.770 7.482 82 2HG GLN 10 1HG GLN 10 8.466 -0.336 8.253 83 1HE2 GLN 10 1HE2 GLN 10 7.455 0.723 9.915 84 2HE2 GLN 10 2HE2 GLN 10 6.687 2.250 9.704 85 H ASN 11 H ASN 11 8.813 -0.765 2.978 86 HA ASN 11 HA ASN 11 9.236 1.904 1.960 87 1HB ASN 11 1HB ASN 11 10.028 -0.867 1.139 88 2HB ASN 11 1HB ASN 11 10.019 0.387 -0.095 89 1HD2 ASN 11 1HD2 ASN 11 12.244 -1.080 0.906 90 2HD2 ASN 11 2HD2 ASN 11 13.333 0.066 1.592 91 H ALA 12 H ALA 12 7.233 -0.900 1.305 92 HA ALA 12 HA ALA 12 5.949 0.171 -0.996 93 1HB ALA 12 1HB ALA 12 4.480 -1.777 0.673 94 2HB ALA 12 2HB ALA 12 6.053 -2.298 0.069 95 3HB ALA 12 3HB ALA 12 4.801 -1.785 -1.061 96 H PHE 13 H PHE 13 5.355 0.189 2.469 97 HA PHE 13 HA PHE 13 2.785 1.269 2.482 98 1HB PHE 13 1HB PHE 13 4.096 0.297 4.433 99 2HB PHE 13 1HB PHE 13 4.888 1.868 4.543 100 HD1 PHE 13 HD1 PHE 13 3.538 3.881 4.999 101 HD2 PHE 13 HD2 PHE 13 1.939 -0.043 5.250 102 HE1 PHE 13 HE1 PHE 13 1.645 4.746 6.321 103 HE2 PHE 13 HE2 PHE 13 0.045 0.803 6.573 104 HZ PHE 13 HZ PHE 13 -0.107 3.204 7.106 105 H TYR 14 H TYR 14 5.925 2.875 2.678 106 HA TYR 14 HA TYR 14 4.908 5.510 2.732 107 1HB TYR 14 1HB TYR 14 7.559 4.260 2.189 108 2HB TYR 14 1HB TYR 14 7.317 5.916 1.640 109 HD1 TYR 14 HD1 TYR 14 6.390 7.579 3.424 110 HD2 TYR 14 HD2 TYR 14 8.249 3.873 4.368 111 HE1 TYR 14 HE1 TYR 14 6.872 8.406 5.689 112 HE2 TYR 14 HE2 TYR 14 8.736 4.687 6.637 113 HH TYR 14 HH TYR 14 8.981 6.764 7.834 114 H GLU 15 H GLU 15 5.899 3.360 0.104 115 HA GLU 15 HA GLU 15 5.653 5.176 -2.014 116 1HB GLU 15 1HB GLU 15 5.649 2.231 -1.721 117 2HB GLU 15 1HB GLU 15 4.884 2.849 -3.178 118 1HG GLU 15 1HG GLU 15 7.138 4.279 -3.242 119 2HG GLU 15 1HG GLU 15 7.721 2.863 -2.369 120 H ILE 16 H ILE 16 3.301 3.270 -0.270 121 HA ILE 16 HA ILE 16 1.101 3.851 -1.984 122 HB ILE 16 HB ILE 16 1.589 2.388 0.522 123 1HG1 ILE 16 1HG1 ILE 16 -0.556 1.516 -1.280 124 2HG1 ILE 16 1HG1 ILE 16 0.995 1.743 -2.081 125 1HG2 ILE 16 1HG2 ILE 16 -1.031 3.755 0.013 126 2HG2 ILE 16 2HG2 ILE 16 -0.104 3.648 1.510 127 3HG2 ILE 16 3HG2 ILE 16 -0.955 2.231 0.896 128 1HD1 ILE 16 1HD1 ILE 16 0.228 -0.188 0.049 129 2HD1 ILE 16 2HD1 ILE 16 1.908 0.327 -0.098 130 3HD1 ILE 16 3HD1 ILE 16 1.104 -0.458 -1.457 131 H LEU 17 H LEU 17 2.318 5.060 1.097 132 HA LEU 17 HA LEU 17 0.200 6.812 1.683 133 1HB LEU 17 1HB LEU 17 2.971 6.412 2.597 134 2HB LEU 17 1HB LEU 17 2.353 8.038 2.810 135 HG LEU 17 HG LEU 17 1.190 5.501 3.953 136 1HD1 LEU 17 1HD1 LEU 17 2.882 6.014 5.391 137 2HD1 LEU 17 2HD1 LEU 17 1.609 7.035 6.061 138 3HD1 LEU 17 3HD1 LEU 17 2.838 7.735 5.008 139 1HD2 LEU 17 1HD2 LEU 17 0.044 8.201 3.586 140 2HD2 LEU 17 2HD2 LEU 17 -0.192 7.448 5.163 141 3HD2 LEU 17 3HD2 LEU 17 -0.755 6.633 3.704 142 H HIS 18 H HIS 18 2.654 6.965 -0.698 143 HA HIS 18 HA HIS 18 2.438 9.865 -0.937 144 1HB HIS 18 1HB HIS 18 4.660 8.700 -0.934 145 2HB HIS 18 1HB HIS 18 4.234 8.016 -2.498 146 HD1 HIS 18 HD1 HIS 18 4.191 11.548 -1.050 147 HD2 HIS 18 HD2 HIS 18 5.377 9.475 -4.451 148 HE1 HIS 18 HE1 HIS 18 5.181 13.279 -2.581 149 HE2 HIS 18 HE2 HIS 18 5.837 12.012 -4.658 150 H LEU 19 H LEU 19 0.588 7.430 -2.127 151 HA LEU 19 HA LEU 19 0.587 8.152 -4.896 152 1HB LEU 19 1HB LEU 19 -1.828 6.863 -3.753 153 2HB LEU 19 1HB LEU 19 -0.998 6.563 -5.246 154 HG LEU 19 HG LEU 19 0.560 5.765 -2.935 155 1HD1 LEU 19 1HD1 LEU 19 -1.913 5.343 -2.307 156 2HD1 LEU 19 2HD1 LEU 19 -0.762 4.020 -2.138 157 3HD1 LEU 19 3HD1 LEU 19 -1.838 4.077 -3.532 158 1HD2 LEU 19 1HD2 LEU 19 -0.265 3.816 -4.962 159 2HD2 LEU 19 2HD2 LEU 19 1.345 4.234 -4.377 160 3HD2 LEU 19 3HD2 LEU 19 0.560 5.242 -5.593 161 HA PRO 20 HA PRO 20 -1.849 11.838 -3.977 162 1HB PRO 20 1HB PRO 20 -1.409 12.639 -6.718 163 2HB PRO 20 1HB PRO 20 -0.735 13.326 -5.240 164 1HG PRO 20 1HG PRO 20 0.747 11.974 -7.089 165 2HG PRO 20 1HG PRO 20 1.167 12.066 -5.370 166 1HD PRO 20 1HD PRO 20 -0.172 9.854 -6.881 167 2HD PRO 20 1HD PRO 20 1.076 9.765 -5.619 168 H ASN 21 H ASN 21 -2.457 9.563 -6.560 169 HA ASN 21 HA ASN 21 -5.092 10.773 -6.980 170 1HB ASN 21 1HB ASN 21 -4.091 8.604 -8.765 171 2HB ASN 21 1HB ASN 21 -5.111 9.983 -9.148 172 1HD2 ASN 21 1HD2 ASN 21 -2.500 8.746 -10.115 173 2HD2 ASN 21 2HD2 ASN 21 -1.470 10.109 -10.296 174 H LEU 22 H LEU 22 -4.432 9.107 -4.714 175 HA LEU 22 HA LEU 22 -6.100 6.757 -5.237 176 1HB LEU 22 1HB LEU 22 -3.642 6.897 -4.076 177 2HB LEU 22 1HB LEU 22 -4.692 6.927 -2.670 178 HG LEU 22 HG LEU 22 -5.806 4.921 -4.068 179 1HD1 LEU 22 1HD1 LEU 22 -3.703 3.504 -4.668 180 2HD1 LEU 22 2HD1 LEU 22 -2.946 5.083 -4.881 181 3HD1 LEU 22 3HD1 LEU 22 -4.364 4.649 -5.835 182 1HD2 LEU 22 1HD2 LEU 22 -5.394 3.947 -2.118 183 2HD2 LEU 22 2HD2 LEU 22 -4.246 5.226 -1.725 184 3HD2 LEU 22 3HD2 LEU 22 -3.695 3.769 -2.550 185 H ASN 23 H ASN 23 -7.823 6.246 -3.903 186 HA ASN 23 HA ASN 23 -8.885 8.532 -2.398 187 1HB ASN 23 1HB ASN 23 -11.061 7.276 -2.519 188 2HB ASN 23 1HB ASN 23 -10.408 7.753 -4.082 189 1HD2 ASN 23 1HD2 ASN 23 -10.565 6.286 -5.565 190 2HD2 ASN 23 2HD2 ASN 23 -10.538 4.579 -5.324 191 H GLU 24 H GLU 24 -9.860 8.203 -0.322 192 HA GLU 24 HA GLU 24 -8.304 6.857 1.492 193 1HB GLU 24 1HB GLU 24 -10.427 8.585 1.630 194 2HB GLU 24 1HB GLU 24 -11.095 7.120 2.336 195 1HG GLU 24 1HG GLU 24 -9.659 7.158 4.122 196 2HG GLU 24 1HG GLU 24 -8.431 8.078 3.254 197 H GLU 25 H GLU 25 -11.196 5.706 -0.153 198 HA GLU 25 HA GLU 25 -11.639 3.411 1.394 199 1HB GLU 25 1HB GLU 25 -13.112 4.497 -0.438 200 2HB GLU 25 1HB GLU 25 -12.193 3.500 -1.557 201 1HG GLU 25 1HG GLU 25 -13.144 1.945 0.676 202 2HG GLU 25 1HG GLU 25 -14.468 2.781 -0.133 203 H GLN 26 H GLN 26 -9.807 3.787 -1.629 204 HA GLN 26 HA GLN 26 -8.950 1.068 -1.639 205 1HB GLN 26 1HB GLN 26 -9.080 2.997 -3.548 206 2HB GLN 26 1HB GLN 26 -7.361 3.017 -3.180 207 1HG GLN 26 1HG GLN 26 -7.042 1.202 -4.394 208 2HG GLN 26 1HG GLN 26 -8.225 0.312 -3.438 209 1HE2 GLN 26 1HE2 GLN 26 -7.695 2.219 -6.301 210 2HE2 GLN 26 2HE2 GLN 26 -9.164 1.791 -7.103 211 H ARG 27 H ARG 27 -7.435 4.153 -0.781 212 HA ARG 27 HA ARG 27 -4.885 3.120 -0.201 213 1HB ARG 27 1HB ARG 27 -5.686 5.583 -0.448 214 2HB ARG 27 1HB ARG 27 -6.045 5.467 1.267 215 1HG ARG 27 1HG ARG 27 -3.830 5.288 1.863 216 2HG ARG 27 1HG ARG 27 -3.344 4.688 0.276 217 1HD ARG 27 1HD ARG 27 -2.637 7.041 0.808 218 2HD ARG 27 1HD ARG 27 -3.535 6.842 -0.695 219 HE ARG 27 HE ARG 27 -5.493 7.482 0.994 220 1HH1 ARG 27 1HH1 ARG 27 -2.343 8.919 0.529 221 2HH1 ARG 27 2HH1 ARG 27 -2.860 10.501 1.004 222 1HH2 ARG 27 1HH2 ARG 27 -6.170 9.563 1.613 223 2HH2 ARG 27 2HH2 ARG 27 -5.031 10.868 1.619 224 H ASN 28 H ASN 28 -7.833 3.369 1.696 225 HA ASN 28 HA ASN 28 -6.608 2.644 4.175 226 1HB ASN 28 1HB ASN 28 -8.740 3.907 4.049 227 2HB ASN 28 1HB ASN 28 -9.520 2.484 3.364 228 1HD2 ASN 28 1HD2 ASN 28 -10.955 2.130 4.982 229 2HD2 ASN 28 2HD2 ASN 28 -10.502 1.674 6.586 230 H ALA 29 H ALA 29 -8.579 0.908 1.766 231 HA ALA 29 HA ALA 29 -8.577 -1.583 3.046 232 1HB ALA 29 1HB ALA 29 -8.905 -2.471 0.668 233 2HB ALA 29 2HB ALA 29 -8.848 -0.782 0.164 234 3HB ALA 29 3HB ALA 29 -10.099 -1.327 1.281 235 H PHE 30 H PHE 30 -6.238 -0.034 0.969 236 HA PHE 30 HA PHE 30 -4.579 -2.296 0.556 237 1HB PHE 30 1HB PHE 30 -4.316 0.642 0.134 238 2HB PHE 30 1HB PHE 30 -2.870 -0.352 0.080 239 HD1 PHE 30 HD1 PHE 30 -3.938 -2.801 -1.190 240 HD2 PHE 30 HD2 PHE 30 -4.637 1.303 -2.073 241 HE1 PHE 30 HE1 PHE 30 -4.429 -3.394 -3.523 242 HE2 PHE 30 HE2 PHE 30 -5.133 0.715 -4.411 243 HZ PHE 30 HZ PHE 30 -5.025 -1.639 -5.138 244 H ILE 31 H ILE 31 -4.181 0.558 2.641 245 HA ILE 31 HA ILE 31 -1.831 -0.231 3.908 246 HB ILE 31 HB ILE 31 -4.122 1.390 5.022 247 1HG1 ILE 31 1HG1 ILE 31 -1.506 2.478 4.034 248 2HG1 ILE 31 1HG1 ILE 31 -2.797 2.109 2.895 249 1HG2 ILE 31 1HG2 ILE 31 -1.620 2.106 6.170 250 2HG2 ILE 31 2HG2 ILE 31 -1.852 0.369 6.367 251 3HG2 ILE 31 3HG2 ILE 31 -3.068 1.494 6.969 252 1HD1 ILE 31 1HD1 ILE 31 -2.434 4.455 4.347 253 2HD1 ILE 31 2HD1 ILE 31 -3.808 3.647 5.100 254 3HD1 ILE 31 3HD1 ILE 31 -3.832 4.003 3.373 255 H GLN 32 H GLN 32 -5.185 -0.668 5.043 256 HA GLN 32 HA GLN 32 -4.575 -2.176 7.315 257 1HB GLN 32 1HB GLN 32 -6.758 -1.149 6.971 258 2HB GLN 32 1HB GLN 32 -7.063 -2.209 5.602 259 1HG GLN 32 1HG GLN 32 -8.087 -3.558 7.029 260 2HG GLN 32 1HG GLN 32 -6.490 -3.957 7.658 261 1HE2 GLN 32 1HE2 GLN 32 -6.554 -3.991 9.776 262 2HE2 GLN 32 2HE2 GLN 32 -7.344 -2.840 10.792 263 H SER 33 H SER 33 -5.595 -3.284 4.090 264 HA SER 33 HA SER 33 -5.487 -6.018 4.617 265 1HB SER 33 1HB SER 33 -6.574 -5.112 2.626 266 2HB SER 33 1HB SER 33 -5.012 -4.598 1.992 267 HG SER 33 HG SER 33 -4.449 -6.679 1.653 268 H LEU 34 H LEU 34 -2.964 -3.840 3.491 269 HA LEU 34 HA LEU 34 -1.020 -5.794 2.943 270 1HB LEU 34 1HB LEU 34 -0.534 -3.749 1.995 271 2HB LEU 34 1HB LEU 34 -1.026 -2.851 3.415 272 HG LEU 34 HG LEU 34 1.451 -2.836 2.797 273 1HD1 LEU 34 1HD1 LEU 34 1.695 -2.080 4.863 274 2HD1 LEU 34 2HD1 LEU 34 1.551 -3.707 5.530 275 3HD1 LEU 34 3HD1 LEU 34 0.104 -2.739 5.245 276 1HD2 LEU 34 1HD2 LEU 34 1.963 -5.237 4.348 277 2HD2 LEU 34 2HD2 LEU 34 2.668 -4.701 2.824 278 3HD2 LEU 34 3HD2 LEU 34 1.139 -5.579 2.827 279 H LYS 35 H LYS 35 -1.716 -3.882 5.846 280 HA LYS 35 HA LYS 35 0.420 -5.031 7.345 281 1HB LYS 35 1HB LYS 35 -0.479 -3.820 9.229 282 2HB LYS 35 1HB LYS 35 -0.506 -2.779 7.812 283 1HG LYS 35 1HG LYS 35 -2.821 -2.919 7.603 284 2HG LYS 35 1HG LYS 35 -2.921 -4.351 8.628 285 1HD LYS 35 1HD LYS 35 -3.510 -2.906 10.241 286 2HD LYS 35 1HD LYS 35 -1.786 -2.533 10.317 287 1HE LYS 35 1HE LYS 35 -2.464 -0.419 9.972 288 2HE LYS 35 1HE LYS 35 -2.575 -0.922 8.285 289 1HZ LYS 35 1HZ LYS 35 -4.666 -0.174 8.493 290 2HZ LYS 35 2HZ LYS 35 -4.683 -0.317 10.178 291 3HZ LYS 35 3HZ LYS 35 -4.962 -1.677 9.212 292 H ASP 36 H ASP 36 -2.818 -5.979 6.629 293 HA ASP 36 HA ASP 36 -2.982 -7.771 8.905 294 1HB ASP 36 1HB ASP 36 -4.839 -6.826 6.797 295 2HB ASP 36 1HB ASP 36 -5.126 -8.450 7.415 296 H ASP 37 H ASP 37 -2.517 -7.941 5.407 297 HA ASP 37 HA ASP 37 -2.520 -10.809 5.331 298 1HB ASP 37 1HB ASP 37 -3.011 -8.889 3.501 299 2HB ASP 37 1HB ASP 37 -1.332 -9.235 3.121 300 HA PRO 38 HA PRO 38 1.678 -11.874 6.136 301 1HB PRO 38 1HB PRO 38 1.823 -13.072 3.404 302 2HB PRO 38 1HB PRO 38 2.198 -13.796 4.973 303 1HG PRO 38 1HG PRO 38 -0.052 -14.430 3.747 304 2HG PRO 38 1HG PRO 38 -0.054 -14.125 5.496 305 1HD PRO 38 1HD PRO 38 -0.929 -12.337 3.260 306 2HD PRO 38 1HD PRO 38 -1.706 -12.628 4.831 307 H SER 39 H SER 39 3.503 -12.294 3.659 308 HA SER 39 HA SER 39 4.448 -9.543 3.600 309 1HB SER 39 1HB SER 39 6.003 -11.417 4.176 310 2HB SER 39 1HB SER 39 5.809 -12.023 2.531 311 HG SER 39 HG SER 39 7.646 -10.495 3.110 312 H GLN 40 H GLN 40 2.109 -10.390 2.044 313 HA GLN 40 HA GLN 40 2.980 -10.420 -0.716 314 1HB GLN 40 1HB GLN 40 0.541 -10.983 0.732 315 2HB GLN 40 1HB GLN 40 0.220 -9.941 -0.647 316 1HG GLN 40 1HG GLN 40 1.190 -11.526 -2.152 317 2HG GLN 40 1HG GLN 40 1.744 -12.528 -0.812 318 1HE2 GLN 40 1HE2 GLN 40 -0.637 -12.099 -3.079 319 2HE2 GLN 40 2HE2 GLN 40 -1.866 -13.090 -2.379 320 H SER 41 H SER 41 3.699 -8.071 0.875 321 HA SER 41 HA SER 41 2.041 -5.877 0.306 322 1HB SER 41 1HB SER 41 3.959 -5.955 1.966 323 2HB SER 41 1HB SER 41 5.048 -5.765 0.591 324 HG SER 41 HG SER 41 4.696 -3.723 1.153 325 H ALA 42 H ALA 42 4.987 -7.018 -1.383 326 HA ALA 42 HA ALA 42 5.181 -5.174 -3.385 327 1HB ALA 42 1HB ALA 42 5.858 -8.038 -3.163 328 2HB ALA 42 2HB ALA 42 6.870 -6.661 -3.601 329 3HB ALA 42 3HB ALA 42 5.791 -7.377 -4.797 330 H ASN 43 H ASN 43 2.851 -7.805 -3.208 331 HA ASN 43 HA ASN 43 1.834 -7.410 -5.848 332 1HB ASN 43 1HB ASN 43 1.583 -9.417 -4.066 333 2HB ASN 43 1HB ASN 43 0.061 -8.581 -3.775 334 1HD2 ASN 43 1HD2 ASN 43 0.271 -11.173 -4.810 335 2HD2 ASN 43 2HD2 ASN 43 -0.346 -11.165 -6.424 336 H LEU 44 H LEU 44 0.961 -6.325 -2.630 337 HA LEU 44 HA LEU 44 -1.422 -4.961 -3.351 338 1HB LEU 44 1HB LEU 44 -0.964 -5.725 -1.080 339 2HB LEU 44 1HB LEU 44 0.404 -4.642 -0.973 340 HG LEU 44 HG LEU 44 -2.063 -3.242 -1.634 341 1HD1 LEU 44 1HD1 LEU 44 -1.905 -4.770 0.958 342 2HD1 LEU 44 2HD1 LEU 44 -3.122 -4.947 -0.306 343 3HD1 LEU 44 3HD1 LEU 44 -3.034 -3.456 0.631 344 1HD2 LEU 44 1HD2 LEU 44 -1.179 -2.161 0.655 345 2HD2 LEU 44 2HD2 LEU 44 -0.491 -1.781 -0.924 346 3HD2 LEU 44 3HD2 LEU 44 0.297 -2.965 0.118 347 H LEU 45 H LEU 45 1.893 -4.256 -3.586 348 HA LEU 45 HA LEU 45 1.686 -1.385 -3.635 349 1HB LEU 45 1HB LEU 45 3.744 -3.028 -3.165 350 2HB LEU 45 1HB LEU 45 3.968 -2.832 -4.884 351 HG LEU 45 HG LEU 45 4.265 -0.464 -4.669 352 1HD1 LEU 45 1HD1 LEU 45 2.862 0.357 -3.064 353 2HD1 LEU 45 2HD1 LEU 45 4.388 0.381 -2.182 354 3HD1 LEU 45 3HD1 LEU 45 3.237 -0.929 -1.917 355 1HD2 LEU 45 1HD2 LEU 45 6.288 -1.616 -4.347 356 2HD2 LEU 45 2HD2 LEU 45 5.842 -2.114 -2.715 357 3HD2 LEU 45 3HD2 LEU 45 6.222 -0.424 -3.049 358 H ALA 46 H ALA 46 2.548 -3.886 -5.941 359 HA ALA 46 HA ALA 46 2.424 -2.327 -8.261 360 1HB ALA 46 1HB ALA 46 1.769 -5.266 -8.031 361 2HB ALA 46 2HB ALA 46 3.399 -4.602 -8.149 362 3HB ALA 46 3HB ALA 46 2.268 -4.406 -9.488 363 H GLU 47 H GLU 47 -0.053 -3.871 -6.359 364 HA GLU 47 HA GLU 47 -2.146 -3.548 -8.297 365 1HB GLU 47 1HB GLU 47 -1.925 -4.498 -5.517 366 2HB GLU 47 1HB GLU 47 -3.469 -3.760 -5.924 367 1HG GLU 47 1HG GLU 47 -3.848 -5.332 -7.669 368 2HG GLU 47 1HG GLU 47 -2.209 -5.968 -7.530 369 H ALA 48 H ALA 48 -1.300 -1.842 -5.307 370 HA ALA 48 HA ALA 48 -3.299 0.143 -5.566 371 1HB ALA 48 1HB ALA 48 -2.381 1.129 -3.695 372 2HB ALA 48 2HB ALA 48 -0.731 0.703 -4.150 373 3HB ALA 48 3HB ALA 48 -1.817 -0.532 -3.513 374 H LYS 49 H LYS 49 -0.213 -0.329 -7.008 375 HA LYS 49 HA LYS 49 0.212 2.376 -7.804 376 1HB LYS 49 1HB LYS 49 2.083 0.802 -7.552 377 2HB LYS 49 1HB LYS 49 1.406 -0.210 -8.818 378 1HG LYS 49 1HG LYS 49 1.608 2.221 -10.060 379 2HG LYS 49 1HG LYS 49 3.028 2.204 -9.012 380 1HD LYS 49 1HD LYS 49 3.655 0.008 -9.940 381 2HD LYS 49 1HD LYS 49 2.263 0.086 -11.022 382 1HE LYS 49 1HE LYS 49 4.203 2.345 -11.018 383 2HE LYS 49 1HE LYS 49 4.662 0.840 -11.814 384 1HZ LYS 49 1HZ LYS 49 3.325 2.780 -13.028 385 2HZ LYS 49 2HZ LYS 49 2.020 1.873 -12.451 386 3HZ LYS 49 3HZ LYS 49 3.172 1.150 -13.456 387 H LYS 50 H LYS 50 -0.955 -0.589 -9.372 388 HA LYS 50 HA LYS 50 -1.446 0.582 -11.898 389 1HB LYS 50 1HB LYS 50 -1.619 -1.975 -10.769 390 2HB LYS 50 1HB LYS 50 -3.255 -1.592 -11.284 391 1HG LYS 50 1HG LYS 50 -2.538 -2.456 -13.231 392 2HG LYS 50 1HG LYS 50 -1.903 -0.827 -13.471 393 1HD LYS 50 1HD LYS 50 -0.101 -2.554 -11.959 394 2HD LYS 50 1HD LYS 50 -0.446 -3.160 -13.581 395 1HE LYS 50 1HE LYS 50 0.319 -0.297 -13.118 396 2HE LYS 50 1HE LYS 50 1.545 -1.556 -13.261 397 1HZ LYS 50 1HZ LYS 50 0.587 -0.215 -15.337 398 2HZ LYS 50 2HZ LYS 50 -0.497 -1.514 -15.331 399 3HZ LYS 50 3HZ LYS 50 1.166 -1.801 -15.454 400 H LEU 51 H LEU 51 -3.351 0.160 -8.985 401 HA LEU 51 HA LEU 51 -5.796 1.059 -10.085 402 1HB LEU 51 1HB LEU 51 -4.787 0.862 -7.256 403 2HB LEU 51 1HB LEU 51 -6.390 1.460 -7.637 404 HG LEU 51 HG LEU 51 -5.306 -1.314 -8.085 405 1HD1 LEU 51 1HD1 LEU 51 -7.894 -0.766 -6.770 406 2HD1 LEU 51 2HD1 LEU 51 -6.441 -0.303 -5.885 407 3HD1 LEU 51 3HD1 LEU 51 -6.664 -1.975 -6.401 408 1HD2 LEU 51 1HD2 LEU 51 -6.531 -1.225 -9.992 409 2HD2 LEU 51 2HD2 LEU 51 -7.544 0.098 -9.413 410 3HD2 LEU 51 3HD2 LEU 51 -7.848 -1.551 -8.865 411 H ASN 52 H ASN 52 -3.324 2.700 -8.115 412 HA ASN 52 HA ASN 52 -4.498 5.187 -7.995 413 1HB ASN 52 1HB ASN 52 -2.422 4.307 -6.822 414 2HB ASN 52 1HB ASN 52 -1.632 4.889 -8.241 415 1HD2 ASN 52 1HD2 ASN 52 -0.743 6.778 -8.007 416 2HD2 ASN 52 2HD2 ASN 52 -1.368 8.059 -7.042 417 H ASP 53 H ASP 53 -2.467 3.789 -10.435 418 HA ASP 53 HA ASP 53 -2.280 6.171 -12.014 419 1HB ASP 53 1HB ASP 53 -0.640 4.255 -12.054 420 2HB ASP 53 1HB ASP 53 -1.861 3.319 -12.914 421 H ALA 54 H ALA 54 -4.379 3.384 -11.938 422 HA ALA 54 HA ALA 54 -5.654 3.745 -14.415 423 1HB ALA 54 1HB ALA 54 -6.879 2.470 -11.985 424 2HB ALA 54 2HB ALA 54 -5.677 1.677 -13.003 425 3HB ALA 54 3HB ALA 54 -7.237 2.141 -13.680 426 H GLN 55 H GLN 55 -6.216 5.283 -11.305 427 HA GLN 55 HA GLN 55 -8.668 6.478 -12.379 428 1HB GLN 55 1HB GLN 55 -8.147 7.300 -9.669 429 2HB GLN 55 1HB GLN 55 -9.530 6.444 -10.326 430 1HG GLN 55 1HG GLN 55 -8.860 4.854 -8.889 431 2HG GLN 55 1HG GLN 55 -7.764 4.423 -10.196 432 1HE2 GLN 55 1HE2 GLN 55 -7.503 4.010 -7.362 433 2HE2 GLN 55 2HE2 GLN 55 -6.046 4.798 -6.905 434 H ALA 56 H ALA 56 -5.691 7.182 -12.850 435 HA ALA 56 HA ALA 56 -5.172 9.705 -11.751 436 1HB ALA 56 1HB ALA 56 -3.329 9.756 -13.097 437 2HB ALA 56 2HB ALA 56 -4.185 9.080 -14.484 438 3HB ALA 56 3HB ALA 56 -3.690 8.031 -13.155 439 HA PRO 57 HA PRO 57 -7.501 12.796 -13.830 440 1HB PRO 57 1HB PRO 57 -4.999 13.846 -15.061 441 2HB PRO 57 1HB PRO 57 -6.224 14.691 -14.108 442 1HG PRO 57 1HG PRO 57 -3.872 14.056 -13.035 443 2HG PRO 57 1HG PRO 57 -5.368 13.933 -12.090 444 1HD PRO 57 1HD PRO 57 -3.733 11.774 -13.344 445 2HD PRO 57 1HD PRO 57 -4.633 11.765 -11.814 446 H LYS 58 H LYS 58 -7.912 13.808 -16.015 447 HA LYS 58 HA LYS 58 -7.978 11.713 -17.991 448 1HB LYS 58 1HB LYS 58 -8.887 14.568 -18.340 449 2HB LYS 58 1HB LYS 58 -9.414 13.154 -19.242 450 1HG LYS 58 1HG LYS 58 -9.861 13.048 -16.335 451 2HG LYS 58 1HG LYS 58 -10.800 14.253 -17.218 452 1HD LYS 58 1HD LYS 58 -10.640 11.465 -18.273 453 2HD LYS 58 1HD LYS 58 -11.709 11.812 -16.912 454 1HE LYS 58 1HE LYS 58 -12.919 11.982 -19.013 455 2HE LYS 58 1HE LYS 58 -12.811 13.558 -18.230 456 1HZ LYS 58 1HZ LYS 58 -11.104 14.216 -19.728 457 2HZ LYS 58 2HZ LYS 58 -12.367 13.582 -20.658 458 3HZ LYS 58 3HZ LYS 58 -10.976 12.660 -20.381 Start of MODEL 3 1 1H VAL 1 1HT VAL 1 5.338 -1.132 19.594 2 2H VAL 1 2HT VAL 1 5.057 -2.187 18.269 3 3H VAL 1 3HT VAL 1 3.733 -1.476 19.098 4 HA VAL 1 HA VAL 1 4.084 0.564 18.234 5 HB VAL 1 HB VAL 1 6.324 0.793 16.770 6 1HG1 VAL 1 1HG1 VAL 1 7.311 1.642 19.114 7 2HG1 VAL 1 2HG1 VAL 1 5.612 1.468 19.554 8 3HG1 VAL 1 3HG1 VAL 1 6.072 2.514 18.211 9 1HG2 VAL 1 1HG2 VAL 1 8.146 -0.372 17.523 10 2HG2 VAL 1 2HG2 VAL 1 6.892 -1.593 17.741 11 3HG2 VAL 1 3HG2 VAL 1 7.449 -0.646 19.121 12 H ASP 2 H ASP 2 6.142 -1.152 15.937 13 HA ASP 2 HA ASP 2 3.956 -1.045 14.024 14 1HB ASP 2 1HB ASP 2 5.717 -1.362 12.306 15 2HB ASP 2 1HB ASP 2 5.990 0.066 13.300 16 H ASN 3 H ASN 3 4.196 -2.878 12.286 17 HA ASN 3 HA ASN 3 3.565 -5.309 13.605 18 1HB ASN 3 1HB ASN 3 3.139 -4.222 11.077 19 2HB ASN 3 1HB ASN 3 4.163 -5.623 10.781 20 1HD2 ASN 3 1HD2 ASN 3 1.085 -4.675 10.856 21 2HD2 ASN 3 2HD2 ASN 3 0.308 -6.152 11.301 22 H LYS 4 H LYS 4 4.623 -7.378 12.354 23 HA LYS 4 HA LYS 4 7.469 -7.235 13.021 24 1HB LYS 4 1HB LYS 4 5.702 -8.993 13.937 25 2HB LYS 4 1HB LYS 4 6.103 -9.822 12.439 26 1HG LYS 4 1HG LYS 4 7.492 -10.704 14.149 27 2HG LYS 4 1HG LYS 4 8.505 -9.704 13.106 28 1HD LYS 4 1HD LYS 4 8.183 -7.834 14.750 29 2HD LYS 4 1HD LYS 4 7.401 -8.999 15.820 30 1HE LYS 4 1HE LYS 4 9.355 -9.868 16.466 31 2HE LYS 4 1HE LYS 4 9.960 -9.944 14.811 32 1HZ LYS 4 1HZ LYS 4 10.740 -7.754 14.930 33 2HZ LYS 4 2HZ LYS 4 11.190 -8.443 16.407 34 3HZ LYS 4 3HZ LYS 4 9.856 -7.407 16.330 35 H PHE 5 H PHE 5 6.836 -6.046 10.659 36 HA PHE 5 HA PHE 5 7.352 -7.962 8.517 37 1HB PHE 5 1HB PHE 5 6.365 -5.151 8.655 38 2HB PHE 5 1HB PHE 5 7.138 -5.697 7.171 39 HD1 PHE 5 HD1 PHE 5 6.252 -8.026 6.281 40 HD2 PHE 5 HD2 PHE 5 4.097 -5.420 8.863 41 HE1 PHE 5 HE1 PHE 5 4.141 -9.074 5.573 42 HE2 PHE 5 HE2 PHE 5 1.988 -6.464 8.167 43 HZ PHE 5 HZ PHE 5 2.004 -8.292 6.517 44 H ASN 6 H ASN 6 8.747 -6.661 6.682 45 HA ASN 6 HA ASN 6 11.290 -5.939 7.991 46 1HB ASN 6 1HB ASN 6 10.882 -8.180 6.486 47 2HB ASN 6 1HB ASN 6 11.446 -7.045 5.263 48 1HD2 ASN 6 1HD2 ASN 6 12.673 -9.452 6.515 49 2HD2 ASN 6 2HD2 ASN 6 14.214 -8.918 7.086 50 H LYS 7 H LYS 7 12.750 -5.106 5.878 51 HA LYS 7 HA LYS 7 11.829 -2.485 5.475 52 1HB LYS 7 1HB LYS 7 13.724 -2.351 3.818 53 2HB LYS 7 1HB LYS 7 14.169 -2.866 5.438 54 1HG LYS 7 1HG LYS 7 14.706 -4.973 4.776 55 2HG LYS 7 1HG LYS 7 13.543 -4.974 3.450 56 1HD LYS 7 1HD LYS 7 15.831 -3.088 3.284 57 2HD LYS 7 1HD LYS 7 16.160 -4.803 3.032 58 1HE LYS 7 1HE LYS 7 13.804 -3.866 1.595 59 2HE LYS 7 1HE LYS 7 15.279 -3.024 1.124 60 1HZ LYS 7 1HZ LYS 7 15.309 -5.954 1.322 61 2HZ LYS 7 2HZ LYS 7 16.227 -4.936 0.332 62 3HZ LYS 7 3HZ LYS 7 14.603 -5.232 -0.036 63 H GLU 8 H GLU 8 11.661 -5.357 3.441 64 HA GLU 8 HA GLU 8 10.904 -4.175 1.030 65 1HB GLU 8 1HB GLU 8 9.806 -6.800 2.020 66 2HB GLU 8 1HB GLU 8 10.130 -6.316 0.361 67 1HG GLU 8 1HG GLU 8 12.041 -7.424 0.555 68 2HG GLU 8 1HG GLU 8 12.590 -6.090 1.569 69 H GLN 9 H GLN 9 8.841 -5.370 3.665 70 HA GLN 9 HA GLN 9 6.410 -4.574 2.448 71 1HB GLN 9 1HB GLN 9 6.401 -6.321 4.098 72 2HB GLN 9 1HB GLN 9 7.108 -5.253 5.302 73 1HG GLN 9 1HG GLN 9 4.509 -4.471 4.103 74 2HG GLN 9 1HG GLN 9 4.528 -5.799 5.259 75 1HE2 GLN 9 1HE2 GLN 9 3.159 -4.284 6.442 76 2HE2 GLN 9 2HE2 GLN 9 3.920 -3.127 7.465 77 H GLN 10 H GLN 10 8.726 -2.951 4.498 78 HA GLN 10 HA GLN 10 6.943 -0.775 5.108 79 1HB GLN 10 1HB GLN 10 9.857 -1.268 5.692 80 2HB GLN 10 1HB GLN 10 9.043 0.228 6.125 81 1HG GLN 10 1HG GLN 10 7.630 -0.865 7.657 82 2HG GLN 10 1HG GLN 10 8.058 -2.456 7.034 83 1HE2 GLN 10 1HE2 GLN 10 8.555 -3.072 9.157 84 2HE2 GLN 10 2HE2 GLN 10 10.048 -2.612 9.884 85 H ASN 11 H ASN 11 9.260 -1.549 2.643 86 HA ASN 11 HA ASN 11 9.624 1.198 1.806 87 1HB ASN 11 1HB ASN 11 10.919 -1.237 1.247 88 2HB ASN 11 1HB ASN 11 10.126 -0.792 -0.258 89 1HD2 ASN 11 1HD2 ASN 11 12.190 -0.530 -1.158 90 2HD2 ASN 11 2HD2 ASN 11 13.101 0.902 -0.864 91 H ALA 12 H ALA 12 7.650 -1.594 1.042 92 HA ALA 12 HA ALA 12 6.285 -0.408 -1.161 93 1HB ALA 12 1HB ALA 12 5.569 -2.735 0.623 94 2HB ALA 12 2HB ALA 12 6.321 -2.808 -0.970 95 3HB ALA 12 3HB ALA 12 4.652 -2.263 -0.807 96 H PHE 13 H PHE 13 5.743 -0.699 2.309 97 HA PHE 13 HA PHE 13 3.179 0.372 2.449 98 1HB PHE 13 1HB PHE 13 4.497 -0.755 4.295 99 2HB PHE 13 1HB PHE 13 5.325 0.786 4.513 100 HD1 PHE 13 HD1 PHE 13 4.048 2.776 5.173 101 HD2 PHE 13 HD2 PHE 13 2.330 -1.105 5.098 102 HE1 PHE 13 HE1 PHE 13 2.196 3.577 6.592 103 HE2 PHE 13 HE2 PHE 13 0.477 -0.324 6.516 104 HZ PHE 13 HZ PHE 13 0.404 2.024 7.262 105 H TYR 14 H TYR 14 6.323 1.956 2.659 106 HA TYR 14 HA TYR 14 5.310 4.580 2.970 107 1HB TYR 14 1HB TYR 14 7.915 3.331 2.517 108 2HB TYR 14 1HB TYR 14 7.754 4.874 1.685 109 HD1 TYR 14 HD1 TYR 14 8.931 6.461 2.887 110 HD2 TYR 14 HD2 TYR 14 6.483 3.693 4.995 111 HE1 TYR 14 HE1 TYR 14 9.411 7.646 4.987 112 HE2 TYR 14 HE2 TYR 14 6.956 4.871 7.101 113 HH TYR 14 HH TYR 14 9.399 7.262 7.363 114 H GLU 15 H GLU 15 6.189 2.635 0.152 115 HA GLU 15 HA GLU 15 5.928 4.595 -1.819 116 1HB GLU 15 1HB GLU 15 6.284 1.801 -1.744 117 2HB GLU 15 1HB GLU 15 4.856 2.073 -2.734 118 1HG GLU 15 1HG GLU 15 6.785 2.006 -4.145 119 2HG GLU 15 1HG GLU 15 6.158 3.654 -4.112 120 H ILE 16 H ILE 16 3.549 2.609 -0.182 121 HA ILE 16 HA ILE 16 1.313 3.454 -1.725 122 HB ILE 16 HB ILE 16 1.820 1.792 0.661 123 1HG1 ILE 16 1HG1 ILE 16 -0.355 1.016 -1.109 124 2HG1 ILE 16 1HG1 ILE 16 1.118 1.385 -2.001 125 1HG2 ILE 16 1HG2 ILE 16 0.158 2.966 1.764 126 2HG2 ILE 16 2HG2 ILE 16 -0.758 1.675 0.987 127 3HG2 ILE 16 3HG2 ILE 16 -0.742 3.292 0.282 128 1HD1 ILE 16 1HD1 ILE 16 2.339 -0.196 -0.553 129 2HD1 ILE 16 2HD1 ILE 16 1.051 -0.955 -1.489 130 3HD1 ILE 16 3HD1 ILE 16 0.813 -0.613 0.225 131 H LEU 17 H LEU 17 2.771 4.374 1.343 132 HA LEU 17 HA LEU 17 0.760 6.152 2.197 133 1HB LEU 17 1HB LEU 17 3.558 5.570 2.920 134 2HB LEU 17 1HB LEU 17 3.011 7.190 3.307 135 HG LEU 17 HG LEU 17 1.714 4.630 4.245 136 1HD1 LEU 17 1HD1 LEU 17 3.559 4.721 5.576 137 2HD1 LEU 17 2HD1 LEU 17 2.494 5.791 6.488 138 3HD1 LEU 17 3HD1 LEU 17 3.724 6.470 5.421 139 1HD2 LEU 17 1HD2 LEU 17 -0.032 5.819 4.953 140 2HD2 LEU 17 2HD2 LEU 17 0.553 7.124 3.921 141 3HD2 LEU 17 3HD2 LEU 17 1.003 7.079 5.626 142 H HIS 18 H HIS 18 3.070 6.381 -0.308 143 HA HIS 18 HA HIS 18 3.070 9.292 -0.298 144 1HB HIS 18 1HB HIS 18 5.176 8.057 -0.652 145 2HB HIS 18 1HB HIS 18 4.510 7.376 -2.132 146 HD1 HIS 18 HD1 HIS 18 5.938 8.472 -3.866 147 HD2 HIS 18 HD2 HIS 18 4.385 11.197 -1.141 148 HE1 HIS 18 HE1 HIS 18 6.544 10.741 -4.765 149 HE2 HIS 18 HE2 HIS 18 5.652 12.373 -3.065 150 H LEU 19 H LEU 19 0.985 7.019 -1.582 151 HA LEU 19 HA LEU 19 0.702 8.094 -4.201 152 1HB LEU 19 1HB LEU 19 -1.650 6.801 -2.928 153 2HB LEU 19 1HB LEU 19 -1.017 6.638 -4.535 154 HG LEU 19 HG LEU 19 0.734 5.506 -2.512 155 1HD1 LEU 19 1HD1 LEU 19 -1.627 3.817 -3.050 156 2HD1 LEU 19 2HD1 LEU 19 -1.834 5.110 -1.869 157 3HD1 LEU 19 3HD1 LEU 19 -0.588 3.887 -1.629 158 1HD2 LEU 19 1HD2 LEU 19 -0.405 3.902 -4.699 159 2HD2 LEU 19 2HD2 LEU 19 1.270 4.090 -4.180 160 3HD2 LEU 19 3HD2 LEU 19 0.513 5.330 -5.180 161 HA PRO 20 HA PRO 20 -1.355 11.790 -2.728 162 1HB PRO 20 1HB PRO 20 -1.289 13.173 -5.008 163 2HB PRO 20 1HB PRO 20 0.177 12.849 -4.074 164 1HG PRO 20 1HG PRO 20 -0.854 11.464 -6.521 165 2HG PRO 20 1HG PRO 20 0.800 11.976 -6.139 166 1HD PRO 20 1HD PRO 20 -0.122 9.414 -5.817 167 2HD PRO 20 1HD PRO 20 1.215 10.110 -4.882 168 H ASN 21 H ASN 21 -2.542 9.963 -5.531 169 HA ASN 21 HA ASN 21 -5.137 11.279 -5.153 170 1HB ASN 21 1HB ASN 21 -5.678 10.703 -7.459 171 2HB ASN 21 1HB ASN 21 -4.177 11.614 -7.389 172 1HD2 ASN 21 1HD2 ASN 21 -3.245 10.943 -9.172 173 2HD2 ASN 21 2HD2 ASN 21 -2.798 9.313 -9.482 174 H LEU 22 H LEU 22 -4.247 9.133 -3.522 175 HA LEU 22 HA LEU 22 -5.852 6.850 -4.383 176 1HB LEU 22 1HB LEU 22 -3.422 6.860 -3.312 177 2HB LEU 22 1HB LEU 22 -4.347 6.877 -1.822 178 HG LEU 22 HG LEU 22 -5.603 4.913 -3.178 179 1HD1 LEU 22 1HD1 LEU 22 -2.801 5.049 -4.171 180 2HD1 LEU 22 2HD1 LEU 22 -4.284 4.641 -5.035 181 3HD1 LEU 22 3HD1 LEU 22 -3.561 3.476 -3.925 182 1HD2 LEU 22 1HD2 LEU 22 -3.507 3.624 -1.834 183 2HD2 LEU 22 2HD2 LEU 22 -5.112 4.007 -1.214 184 3HD2 LEU 22 3HD2 LEU 22 -3.783 5.140 -0.975 185 H ASN 23 H ASN 23 -7.650 6.159 -3.308 186 HA ASN 23 HA ASN 23 -8.899 8.100 -1.542 187 1HB ASN 23 1HB ASN 23 -9.900 5.541 -2.803 188 2HB ASN 23 1HB ASN 23 -10.866 6.512 -1.698 189 1HD2 ASN 23 1HD2 ASN 23 -11.532 5.897 -4.357 190 2HD2 ASN 23 2HD2 ASN 23 -11.585 7.375 -5.244 191 H GLU 24 H GLU 24 -9.662 7.653 0.545 192 HA GLU 24 HA GLU 24 -7.937 6.319 2.224 193 1HB GLU 24 1HB GLU 24 -10.779 7.223 2.579 194 2HB GLU 24 1HB GLU 24 -9.890 6.450 3.884 195 1HG GLU 24 1HG GLU 24 -8.803 8.850 2.460 196 2HG GLU 24 1HG GLU 24 -9.942 9.004 3.797 197 H GLU 25 H GLU 25 -11.021 5.200 0.905 198 HA GLU 25 HA GLU 25 -11.241 2.814 2.319 199 1HB GLU 25 1HB GLU 25 -12.116 3.415 -0.511 200 2HB GLU 25 1HB GLU 25 -12.652 2.034 0.435 201 1HG GLU 25 1HG GLU 25 -14.386 3.406 0.864 202 2HG GLU 25 1HG GLU 25 -13.308 3.973 2.138 203 H GLN 26 H GLN 26 -9.498 3.514 -0.672 204 HA GLN 26 HA GLN 26 -8.689 0.803 -1.069 205 1HB GLN 26 1HB GLN 26 -8.019 3.420 -2.363 206 2HB GLN 26 1HB GLN 26 -7.037 2.002 -2.704 207 1HG GLN 26 1HG GLN 26 -8.521 1.284 -4.173 208 2HG GLN 26 1HG GLN 26 -9.788 1.299 -2.948 209 1HE2 GLN 26 1HE2 GLN 26 -7.924 3.879 -4.510 210 2HE2 GLN 26 2HE2 GLN 26 -9.295 4.753 -5.095 211 H ARG 27 H ARG 27 -7.027 3.761 0.002 212 HA ARG 27 HA ARG 27 -4.522 2.597 0.452 213 1HB ARG 27 1HB ARG 27 -5.254 5.095 0.459 214 2HB ARG 27 1HB ARG 27 -5.571 4.826 2.163 215 1HG ARG 27 1HG ARG 27 -3.352 4.560 2.681 216 2HG ARG 27 1HG ARG 27 -2.924 4.049 1.047 217 1HD ARG 27 1HD ARG 27 -2.115 6.137 0.860 218 2HD ARG 27 1HD ARG 27 -3.800 6.569 0.581 219 HE ARG 27 HE ARG 27 -2.216 7.134 2.933 220 1HH1 ARG 27 1HH1 ARG 27 -5.428 6.927 1.576 221 2HH1 ARG 27 2HH1 ARG 27 -6.131 7.968 2.766 222 1HH2 ARG 27 1HH2 ARG 27 -3.143 8.501 4.498 223 2HH2 ARG 27 2HH2 ARG 27 -4.836 8.861 4.424 224 H ASN 28 H ASN 28 -7.441 2.653 2.376 225 HA ASN 28 HA ASN 28 -6.185 1.710 4.771 226 1HB ASN 28 1HB ASN 28 -9.004 2.166 3.873 227 2HB ASN 28 1HB ASN 28 -8.717 1.153 5.284 228 1HD2 ASN 28 1HD2 ASN 28 -9.989 3.792 5.017 229 2HD2 ASN 28 2HD2 ASN 28 -9.133 4.830 6.100 230 H ALA 29 H ALA 29 -8.308 0.250 2.299 231 HA ALA 29 HA ALA 29 -8.292 -2.354 3.312 232 1HB ALA 29 1HB ALA 29 -9.547 -1.182 1.255 233 2HB ALA 29 2HB ALA 29 -9.404 -2.932 1.419 234 3HB ALA 29 3HB ALA 29 -8.295 -2.051 0.368 235 H PHE 30 H PHE 30 -5.992 -0.631 1.338 236 HA PHE 30 HA PHE 30 -4.383 -2.867 0.648 237 1HB PHE 30 1HB PHE 30 -4.093 0.096 0.497 238 2HB PHE 30 1HB PHE 30 -2.663 -0.905 0.301 239 HD1 PHE 30 HD1 PHE 30 -4.551 0.954 -1.608 240 HD2 PHE 30 HD2 PHE 30 -3.728 -3.198 -1.175 241 HE1 PHE 30 HE1 PHE 30 -5.127 0.593 -3.974 242 HE2 PHE 30 HE2 PHE 30 -4.300 -3.566 -3.535 243 HZ PHE 30 HZ PHE 30 -4.996 -1.672 -4.940 244 H ILE 31 H ILE 31 -3.865 -0.213 2.971 245 HA ILE 31 HA ILE 31 -1.504 -1.192 4.090 246 HB ILE 31 HB ILE 31 -3.691 0.453 5.365 247 1HG1 ILE 31 1HG1 ILE 31 -0.999 1.412 4.424 248 2HG1 ILE 31 1HG1 ILE 31 -2.363 1.296 3.317 249 1HG2 ILE 31 1HG2 ILE 31 -2.655 0.253 7.316 250 2HG2 ILE 31 2HG2 ILE 31 -1.205 0.958 6.603 251 3HG2 ILE 31 3HG2 ILE 31 -1.433 -0.790 6.591 252 1HD1 ILE 31 1HD1 ILE 31 -3.374 3.106 4.177 253 2HD1 ILE 31 2HD1 ILE 31 -1.747 3.494 4.736 254 3HD1 ILE 31 3HD1 ILE 31 -2.894 2.722 5.830 255 H GLN 32 H GLN 32 -4.861 -1.637 5.203 256 HA GLN 32 HA GLN 32 -4.248 -3.329 7.356 257 1HB GLN 32 1HB GLN 32 -6.414 -2.187 7.097 258 2HB GLN 32 1HB GLN 32 -6.785 -3.209 5.716 259 1HG GLN 32 1HG GLN 32 -7.947 -4.068 7.602 260 2HG GLN 32 1HG GLN 32 -6.639 -5.185 7.217 261 1HE2 GLN 32 1HE2 GLN 32 -8.225 -3.958 9.695 262 2HE2 GLN 32 2HE2 GLN 32 -6.980 -3.889 10.889 263 H SER 33 H SER 33 -5.421 -4.147 4.086 264 HA SER 33 HA SER 33 -5.369 -6.910 4.362 265 1HB SER 33 1HB SER 33 -6.438 -5.853 2.455 266 2HB SER 33 1HB SER 33 -4.882 -5.256 1.881 267 HG SER 33 HG SER 33 -6.023 -7.710 1.573 268 H LEU 34 H LEU 34 -2.788 -4.702 3.445 269 HA LEU 34 HA LEU 34 -0.895 -6.692 2.777 270 1HB LEU 34 1HB LEU 34 -0.383 -4.623 1.881 271 2HB LEU 34 1HB LEU 34 -0.827 -3.762 3.339 272 HG LEU 34 HG LEU 34 1.635 -3.777 2.695 273 1HD1 LEU 34 1HD1 LEU 34 0.367 -3.612 5.105 274 2HD1 LEU 34 2HD1 LEU 34 2.073 -3.263 4.823 275 3HD1 LEU 34 3HD1 LEU 34 1.583 -4.854 5.407 276 1HD2 LEU 34 1HD2 LEU 34 2.758 -5.684 2.517 277 2HD2 LEU 34 2HD2 LEU 34 1.224 -6.542 2.665 278 3HD2 LEU 34 3HD2 LEU 34 2.200 -6.224 4.100 279 H LYS 35 H LYS 35 -1.755 -5.013 5.737 280 HA LYS 35 HA LYS 35 0.421 -6.087 7.244 281 1HB LYS 35 1HB LYS 35 -1.966 -4.407 7.840 282 2HB LYS 35 1HB LYS 35 -1.173 -5.229 9.176 283 1HG LYS 35 1HG LYS 35 0.711 -3.956 9.027 284 2HG LYS 35 1HG LYS 35 0.517 -3.674 7.295 285 1HD LYS 35 1HD LYS 35 -0.020 -1.600 8.116 286 2HD LYS 35 1HD LYS 35 -1.616 -2.351 8.082 287 1HE LYS 35 1HE LYS 35 -1.659 -2.661 10.383 288 2HE LYS 35 1HE LYS 35 0.094 -2.540 10.530 289 1HZ LYS 35 1HZ LYS 35 -1.381 -0.576 11.273 290 2HZ LYS 35 2HZ LYS 35 -1.466 -0.214 9.623 291 3HZ LYS 35 3HZ LYS 35 0.034 -0.256 10.402 292 H ASP 36 H ASP 36 -2.769 -7.138 6.433 293 HA ASP 36 HA ASP 36 -2.839 -9.085 8.588 294 1HB ASP 36 1HB ASP 36 -4.769 -8.095 6.554 295 2HB ASP 36 1HB ASP 36 -4.993 -9.740 7.141 296 H ASP 37 H ASP 37 -2.442 -8.979 5.081 297 HA ASP 37 HA ASP 37 -2.335 -11.832 4.794 298 1HB ASP 37 1HB ASP 37 -2.938 -9.799 3.122 299 2HB ASP 37 1HB ASP 37 -1.259 -10.060 2.681 300 HA PRO 38 HA PRO 38 1.920 -12.783 5.428 301 1HB PRO 38 1HB PRO 38 2.065 -13.712 2.592 302 2HB PRO 38 1HB PRO 38 2.513 -14.559 4.079 303 1HG PRO 38 1HG PRO 38 0.268 -15.191 2.845 304 2HG PRO 38 1HG PRO 38 0.290 -15.043 4.615 305 1HD PRO 38 1HD PRO 38 -0.718 -13.109 2.564 306 2HD PRO 38 1HD PRO 38 -1.445 -13.576 4.116 307 H SER 39 H SER 39 3.708 -12.883 2.882 308 HA SER 39 HA SER 39 4.540 -10.103 3.084 309 1HB SER 39 1HB SER 39 5.987 -12.413 3.142 310 2HB SER 39 1HB SER 39 6.165 -11.943 1.452 311 HG SER 39 HG SER 39 6.981 -10.591 3.775 312 H GLN 40 H GLN 40 2.197 -10.882 1.505 313 HA GLN 40 HA GLN 40 2.952 -10.665 -1.267 314 1HB GLN 40 1HB GLN 40 0.208 -10.421 -0.025 315 2HB GLN 40 1HB GLN 40 0.570 -10.721 -1.718 316 1HG GLN 40 1HG GLN 40 1.765 -12.832 -0.869 317 2HG GLN 40 1HG GLN 40 0.861 -12.559 0.620 318 1HE2 GLN 40 1HE2 GLN 40 0.705 -14.736 -1.344 319 2HE2 GLN 40 2HE2 GLN 40 -0.942 -14.781 -1.863 320 H SER 41 H SER 41 3.958 -8.487 0.189 321 HA SER 41 HA SER 41 2.266 -6.219 -0.057 322 1HB SER 41 1HB SER 41 4.065 -4.947 0.773 323 2HB SER 41 1HB SER 41 4.273 -6.528 1.525 324 HG SER 41 HG SER 41 6.043 -6.839 0.404 325 H ALA 42 H ALA 42 5.184 -7.210 -1.889 326 HA ALA 42 HA ALA 42 5.328 -5.193 -3.717 327 1HB ALA 42 1HB ALA 42 6.027 -8.065 -3.784 328 2HB ALA 42 2HB ALA 42 7.034 -6.643 -4.057 329 3HB ALA 42 3HB ALA 42 5.967 -7.226 -5.334 330 H ASN 43 H ASN 43 3.019 -7.859 -3.772 331 HA ASN 43 HA ASN 43 2.003 -7.154 -6.362 332 1HB ASN 43 1HB ASN 43 0.077 -8.676 -5.689 333 2HB ASN 43 1HB ASN 43 1.673 -9.417 -5.731 334 1HD2 ASN 43 1HD2 ASN 43 -0.969 -8.407 -3.755 335 2HD2 ASN 43 2HD2 ASN 43 -0.428 -9.141 -2.288 336 H LEU 44 H LEU 44 1.180 -6.464 -3.036 337 HA LEU 44 HA LEU 44 -1.264 -5.107 -3.545 338 1HB LEU 44 1HB LEU 44 -0.709 -6.074 -1.369 339 2HB LEU 44 1HB LEU 44 0.634 -4.967 -1.204 340 HG LEU 44 HG LEU 44 -1.838 -3.530 -1.653 341 1HD1 LEU 44 1HD1 LEU 44 -2.952 -5.360 -0.595 342 2HD1 LEU 44 2HD1 LEU 44 -2.814 -4.052 0.580 343 3HD1 LEU 44 3HD1 LEU 44 -1.729 -5.439 0.674 344 1HD2 LEU 44 1HD2 LEU 44 -0.332 -2.160 -0.699 345 2HD2 LEU 44 2HD2 LEU 44 0.518 -3.480 0.103 346 3HD2 LEU 44 3HD2 LEU 44 -0.960 -2.825 0.808 347 H LEU 45 H LEU 45 2.023 -4.324 -3.822 348 HA LEU 45 HA LEU 45 1.796 -1.463 -3.610 349 1HB LEU 45 1HB LEU 45 3.878 -3.127 -3.369 350 2HB LEU 45 1HB LEU 45 4.030 -2.781 -5.072 351 HG LEU 45 HG LEU 45 4.325 -0.436 -4.658 352 1HD1 LEU 45 1HD1 LEU 45 2.989 0.206 -2.913 353 2HD1 LEU 45 2HD1 LEU 45 4.569 0.193 -2.130 354 3HD1 LEU 45 3HD1 LEU 45 3.461 -1.160 -1.903 355 1HD2 LEU 45 1HD2 LEU 45 6.397 -0.481 -3.319 356 2HD2 LEU 45 2HD2 LEU 45 6.323 -1.782 -4.507 357 3HD2 LEU 45 3HD2 LEU 45 6.003 -2.122 -2.806 358 H ALA 46 H ALA 46 2.591 -3.743 -6.157 359 HA ALA 46 HA ALA 46 2.364 -1.987 -8.324 360 1HB ALA 46 1HB ALA 46 2.730 -3.806 -9.614 361 2HB ALA 46 2HB ALA 46 1.478 -4.756 -8.815 362 3HB ALA 46 3HB ALA 46 3.068 -4.589 -8.070 363 H GLU 47 H GLU 47 -0.028 -3.705 -6.466 364 HA GLU 47 HA GLU 47 -2.195 -3.242 -8.294 365 1HB GLU 47 1HB GLU 47 -1.861 -4.441 -5.620 366 2HB GLU 47 1HB GLU 47 -3.432 -3.705 -5.914 367 1HG GLU 47 1HG GLU 47 -3.796 -5.111 -7.822 368 2HG GLU 47 1HG GLU 47 -2.160 -5.758 -7.710 369 H ALA 48 H ALA 48 -1.241 -1.784 -5.204 370 HA ALA 48 HA ALA 48 -3.295 0.170 -5.242 371 1HB ALA 48 1HB ALA 48 -0.681 0.038 -3.746 372 2HB ALA 48 2HB ALA 48 -2.291 -0.349 -3.138 373 3HB ALA 48 3HB ALA 48 -1.870 1.321 -3.519 374 H LYS 49 H LYS 49 -0.258 -0.143 -6.801 375 HA LYS 49 HA LYS 49 0.128 2.628 -7.358 376 1HB LYS 49 1HB LYS 49 2.019 1.057 -7.304 377 2HB LYS 49 1HB LYS 49 1.313 0.156 -8.636 378 1HG LYS 49 1HG LYS 49 2.637 1.394 -9.933 379 2HG LYS 49 1HG LYS 49 1.452 2.676 -9.676 380 1HD LYS 49 1HD LYS 49 3.075 3.902 -8.772 381 2HD LYS 49 1HD LYS 49 3.132 2.750 -7.437 382 1HE LYS 49 1HE LYS 49 5.312 2.672 -8.121 383 2HE LYS 49 1HE LYS 49 4.632 1.389 -9.121 384 1HZ LYS 49 1HZ LYS 49 6.051 3.515 -10.027 385 2HZ LYS 49 2HZ LYS 49 4.456 3.980 -10.342 386 3HZ LYS 49 3HZ LYS 49 5.052 2.528 -10.972 387 H LYS 50 H LYS 50 -1.061 -0.196 -9.181 388 HA LYS 50 HA LYS 50 -1.641 1.270 -11.537 389 1HB LYS 50 1HB LYS 50 -3.213 -0.700 -11.998 390 2HB LYS 50 1HB LYS 50 -1.496 -1.040 -11.885 391 1HG LYS 50 1HG LYS 50 -2.287 -2.748 -10.631 392 2HG LYS 50 1HG LYS 50 -2.162 -1.538 -9.362 393 1HD LYS 50 1HD LYS 50 -4.290 -2.237 -8.991 394 2HD LYS 50 1HD LYS 50 -4.609 -0.961 -10.165 395 1HE LYS 50 1HE LYS 50 -4.044 -3.644 -11.262 396 2HE LYS 50 1HE LYS 50 -5.566 -3.463 -10.391 397 1HZ LYS 50 1HZ LYS 50 -6.441 -2.334 -12.075 398 2HZ LYS 50 2HZ LYS 50 -5.100 -2.790 -12.999 399 3HZ LYS 50 3HZ LYS 50 -5.106 -1.301 -12.198 400 H LEU 51 H LEU 51 -3.476 0.393 -8.683 401 HA LEU 51 HA LEU 51 -5.966 1.363 -9.563 402 1HB LEU 51 1HB LEU 51 -4.820 0.934 -6.813 403 2HB LEU 51 1HB LEU 51 -6.445 1.545 -7.054 404 HG LEU 51 HG LEU 51 -5.358 -1.169 -7.756 405 1HD1 LEU 51 1HD1 LEU 51 -6.763 -1.977 -6.157 406 2HD1 LEU 51 2HD1 LEU 51 -7.930 -0.671 -6.361 407 3HD1 LEU 51 3HD1 LEU 51 -6.434 -0.385 -5.473 408 1HD2 LEU 51 1HD2 LEU 51 -6.582 -0.667 -9.691 409 2HD2 LEU 51 2HD2 LEU 51 -7.823 0.201 -8.788 410 3HD2 LEU 51 3HD2 LEU 51 -7.712 -1.555 -8.668 411 H ASN 52 H ASN 52 -3.419 2.922 -7.616 412 HA ASN 52 HA ASN 52 -4.696 5.339 -7.244 413 1HB ASN 52 1HB ASN 52 -2.542 4.450 -6.198 414 2HB ASN 52 1HB ASN 52 -1.829 5.206 -7.578 415 1HD2 ASN 52 1HD2 ASN 52 -0.983 7.075 -7.104 416 2HD2 ASN 52 2HD2 ASN 52 -1.682 8.244 -6.048 417 H ASP 53 H ASP 53 -2.548 4.309 -9.791 418 HA ASP 53 HA ASP 53 -2.531 6.775 -11.190 419 1HB ASP 53 1HB ASP 53 -0.877 4.871 -11.442 420 2HB ASP 53 1HB ASP 53 -2.111 4.035 -12.383 421 H ALA 54 H ALA 54 -4.581 3.945 -11.317 422 HA ALA 54 HA ALA 54 -5.946 4.502 -13.701 423 1HB ALA 54 1HB ALA 54 -7.468 2.827 -13.074 424 2HB ALA 54 2HB ALA 54 -7.167 3.083 -11.355 425 3HB ALA 54 3HB ALA 54 -5.925 2.347 -12.368 426 H GLN 55 H GLN 55 -6.360 5.839 -10.486 427 HA GLN 55 HA GLN 55 -8.857 7.104 -11.349 428 1HB GLN 55 1HB GLN 55 -8.030 7.775 -8.639 429 2HB GLN 55 1HB GLN 55 -9.553 7.121 -9.217 430 1HG GLN 55 1HG GLN 55 -9.012 5.289 -8.086 431 2HG GLN 55 1HG GLN 55 -7.857 4.961 -9.371 432 1HE2 GLN 55 1HE2 GLN 55 -7.539 4.011 -6.836 433 2HE2 GLN 55 2HE2 GLN 55 -6.176 4.775 -6.123 434 H ALA 56 H ALA 56 -6.107 7.824 -12.250 435 HA ALA 56 HA ALA 56 -5.548 10.384 -11.066 436 1HB ALA 56 1HB ALA 56 -4.384 8.819 -13.337 437 2HB ALA 56 2HB ALA 56 -3.631 9.317 -11.822 438 3HB ALA 56 3HB ALA 56 -3.942 10.508 -13.084 439 HA PRO 57 HA PRO 57 -7.845 13.234 -13.497 440 1HB PRO 57 1HB PRO 57 -5.306 14.416 -14.498 441 2HB PRO 57 1HB PRO 57 -6.661 15.193 -13.673 442 1HG PRO 57 1HG PRO 57 -4.378 14.724 -12.387 443 2HG PRO 57 1HG PRO 57 -5.941 14.519 -11.573 444 1HD PRO 57 1HD PRO 57 -4.083 12.448 -12.663 445 2HD PRO 57 1HD PRO 57 -5.078 12.410 -11.192 446 H LYS 58 H LYS 58 -8.715 13.369 -15.514 447 HA LYS 58 HA LYS 58 -7.480 11.723 -17.583 448 1HB LYS 58 1HB LYS 58 -9.646 11.762 -18.676 449 2HB LYS 58 1HB LYS 58 -9.841 11.316 -16.987 450 1HG LYS 58 1HG LYS 58 -11.483 12.834 -17.013 451 2HG LYS 58 1HG LYS 58 -10.170 14.002 -16.850 452 1HD LYS 58 1HD LYS 58 -11.345 14.859 -18.645 453 2HD LYS 58 1HD LYS 58 -10.112 13.889 -19.452 454 1HE LYS 58 1HE LYS 58 -12.511 12.370 -18.796 455 2HE LYS 58 1HE LYS 58 -12.832 13.733 -19.867 456 1HZ LYS 58 1HZ LYS 58 -10.621 11.852 -20.413 457 2HZ LYS 58 2HZ LYS 58 -11.412 12.893 -21.485 458 3HZ LYS 58 3HZ LYS 58 -12.201 11.511 -20.913 Start of MODEL 4 1 1H VAL 1 1HT VAL 1 13.568 -7.066 12.974 2 2H VAL 1 2HT VAL 1 14.127 -7.312 14.578 3 3H VAL 1 3HT VAL 1 15.170 -7.608 13.248 4 HA VAL 1 HA VAL 1 15.380 -5.472 14.600 5 HB VAL 1 HB VAL 1 15.895 -4.230 12.407 6 1HG1 VAL 1 1HG1 VAL 1 17.815 -5.852 11.928 7 2HG1 VAL 1 2HG1 VAL 1 17.148 -6.825 13.240 8 3HG1 VAL 1 3HG1 VAL 1 17.697 -5.178 13.554 9 1HG2 VAL 1 1HG2 VAL 1 14.906 -6.861 11.373 10 2HG2 VAL 1 2HG2 VAL 1 16.147 -5.962 10.502 11 3HG2 VAL 1 3HG2 VAL 1 14.567 -5.232 10.789 12 H ASP 2 H ASP 2 12.997 -5.514 11.942 13 HA ASP 2 HA ASP 2 12.009 -2.919 12.473 14 1HB ASP 2 1HB ASP 2 11.769 -4.560 10.387 15 2HB ASP 2 1HB ASP 2 10.241 -4.921 11.182 16 H ASN 3 H ASN 3 9.345 -2.962 12.685 17 HA ASN 3 HA ASN 3 8.923 -3.595 15.421 18 1HB ASN 3 1HB ASN 3 6.553 -2.852 14.919 19 2HB ASN 3 1HB ASN 3 7.808 -1.677 14.543 20 1HD2 ASN 3 1HD2 ASN 3 5.002 -2.655 13.479 21 2HD2 ASN 3 2HD2 ASN 3 5.211 -2.524 11.769 22 H LYS 4 H LYS 4 6.006 -4.426 14.082 23 HA LYS 4 HA LYS 4 6.445 -7.236 14.658 24 1HB LYS 4 1HB LYS 4 4.193 -5.417 14.689 25 2HB LYS 4 1HB LYS 4 3.801 -6.872 13.783 26 1HG LYS 4 1HG LYS 4 3.192 -7.028 16.158 27 2HG LYS 4 1HG LYS 4 4.362 -8.257 15.672 28 1HD LYS 4 1HD LYS 4 5.885 -6.063 16.512 29 2HD LYS 4 1HD LYS 4 4.581 -6.206 17.690 30 1HE LYS 4 1HE LYS 4 5.700 -8.790 17.015 31 2HE LYS 4 1HE LYS 4 6.936 -7.683 17.612 32 1HZ LYS 4 1HZ LYS 4 5.606 -9.107 19.278 33 2HZ LYS 4 2HZ LYS 4 4.384 -7.959 19.056 34 3HZ LYS 4 3HZ LYS 4 5.896 -7.480 19.643 35 H PHE 5 H PHE 5 5.769 -5.124 11.961 36 HA PHE 5 HA PHE 5 5.482 -7.346 10.096 37 1HB PHE 5 1HB PHE 5 5.326 -4.348 9.743 38 2HB PHE 5 1HB PHE 5 5.148 -5.502 8.424 39 HD1 PHE 5 HD1 PHE 5 3.579 -4.007 11.341 40 HD2 PHE 5 HD2 PHE 5 3.206 -6.982 8.326 41 HE1 PHE 5 HE1 PHE 5 1.184 -4.231 11.861 42 HE2 PHE 5 HE2 PHE 5 0.812 -7.211 8.838 43 HZ PHE 5 HZ PHE 5 -0.202 -5.836 10.606 44 H ASN 6 H ASN 6 6.698 -6.583 7.849 45 HA ASN 6 HA ASN 6 9.542 -6.508 8.600 46 1HB ASN 6 1HB ASN 6 9.966 -7.584 6.419 47 2HB ASN 6 1HB ASN 6 8.881 -8.541 7.424 48 1HD2 ASN 6 1HD2 ASN 6 9.368 -8.042 4.412 49 2HD2 ASN 6 2HD2 ASN 6 7.766 -7.886 3.785 50 H LYS 7 H LYS 7 11.005 -5.504 6.965 51 HA LYS 7 HA LYS 7 10.452 -2.810 6.635 52 1HB LYS 7 1HB LYS 7 12.367 -4.358 4.915 53 2HB LYS 7 1HB LYS 7 12.458 -2.669 5.392 54 1HG LYS 7 1HG LYS 7 13.795 -3.296 7.042 55 2HG LYS 7 1HG LYS 7 12.399 -4.073 7.789 56 1HD LYS 7 1HD LYS 7 14.252 -5.639 7.604 57 2HD LYS 7 1HD LYS 7 12.911 -6.143 6.574 58 1HE LYS 7 1HE LYS 7 14.425 -4.525 4.925 59 2HE LYS 7 1HE LYS 7 15.633 -5.397 5.867 60 1HZ LYS 7 1HZ LYS 7 14.798 -7.454 5.134 61 2HZ LYS 7 2HZ LYS 7 14.880 -6.488 3.748 62 3HZ LYS 7 3HZ LYS 7 13.390 -6.763 4.498 63 H GLU 8 H GLU 8 10.419 -5.355 4.138 64 HA GLU 8 HA GLU 8 9.694 -3.838 1.956 65 1HB GLU 8 1HB GLU 8 8.597 -6.593 2.513 66 2HB GLU 8 1HB GLU 8 8.892 -5.853 0.945 67 1HG GLU 8 1HG GLU 8 11.323 -5.871 2.436 68 2HG GLU 8 1HG GLU 8 10.614 -7.485 2.462 69 H GLN 9 H GLN 9 7.706 -4.952 4.600 70 HA GLN 9 HA GLN 9 5.225 -4.260 3.362 71 1HB GLN 9 1HB GLN 9 5.234 -6.043 4.970 72 2HB GLN 9 1HB GLN 9 5.964 -5.009 6.189 73 1HG GLN 9 1HG GLN 9 3.346 -4.189 5.072 74 2HG GLN 9 1HG GLN 9 3.382 -5.562 6.173 75 1HE2 GLN 9 1HE2 GLN 9 2.069 -4.182 7.504 76 2HE2 GLN 9 2HE2 GLN 9 2.836 -3.034 8.535 77 H GLN 10 H GLN 10 7.412 -2.736 5.672 78 HA GLN 10 HA GLN 10 5.631 -0.528 6.135 79 1HB GLN 10 1HB GLN 10 8.357 -1.297 7.086 80 2HB GLN 10 1HB GLN 10 7.834 0.373 7.256 81 1HG GLN 10 1HG GLN 10 5.752 -0.606 8.392 82 2HG GLN 10 1HG GLN 10 6.698 -2.087 8.524 83 1HE2 GLN 10 1HE2 GLN 10 5.653 -0.352 10.591 84 2HE2 GLN 10 2HE2 GLN 10 7.012 0.159 11.519 85 H ASN 11 H ASN 11 8.239 -1.280 3.956 86 HA ASN 11 HA ASN 11 8.704 1.468 3.196 87 1HB ASN 11 1HB ASN 11 10.146 -0.841 2.843 88 2HB ASN 11 1HB ASN 11 9.382 -0.672 1.267 89 1HD2 ASN 11 1HD2 ASN 11 12.161 -0.475 1.999 90 2HD2 ASN 11 2HD2 ASN 11 12.679 1.095 1.514 91 H ALA 12 H ALA 12 6.809 -1.296 2.155 92 HA ALA 12 HA ALA 12 5.731 -0.067 -0.174 93 1HB ALA 12 1HB ALA 12 3.965 -1.881 0.076 94 2HB ALA 12 2HB ALA 12 4.871 -2.426 1.488 95 3HB ALA 12 3HB ALA 12 5.631 -2.431 -0.104 96 H PHE 13 H PHE 13 4.827 -0.303 3.213 97 HA PHE 13 HA PHE 13 2.267 0.787 3.088 98 1HB PHE 13 1HB PHE 13 3.445 -0.324 5.062 99 2HB PHE 13 1HB PHE 13 4.183 1.250 5.353 100 HD1 PHE 13 HD1 PHE 13 2.479 3.245 5.369 101 HD2 PHE 13 HD2 PHE 13 1.504 -0.813 6.139 102 HE1 PHE 13 HE1 PHE 13 0.456 3.968 6.574 103 HE2 PHE 13 HE2 PHE 13 -0.520 -0.107 7.352 104 HZ PHE 13 HZ PHE 13 -1.048 2.291 7.566 105 H TYR 14 H TYR 14 5.375 2.360 3.657 106 HA TYR 14 HA TYR 14 4.363 4.989 3.828 107 1HB TYR 14 1HB TYR 14 7.108 4.170 2.853 108 2HB TYR 14 1HB TYR 14 6.650 5.725 3.539 109 HD1 TYR 14 HD1 TYR 14 4.943 4.589 5.818 110 HD2 TYR 14 HD2 TYR 14 8.834 3.620 4.392 111 HE1 TYR 14 HE1 TYR 14 5.556 3.781 8.058 112 HE2 TYR 14 HE2 TYR 14 9.456 2.808 6.628 113 HH TYR 14 HH TYR 14 7.629 3.441 9.389 114 H GLU 15 H GLU 15 5.607 3.090 1.103 115 HA GLU 15 HA GLU 15 5.489 5.088 -0.851 116 1HB GLU 15 1HB GLU 15 6.219 2.473 -0.851 117 2HB GLU 15 1HB GLU 15 4.681 2.369 -1.695 118 1HG GLU 15 1HG GLU 15 6.475 2.598 -3.280 119 2HG GLU 15 1HG GLU 15 5.466 4.043 -3.306 120 H ILE 16 H ILE 16 3.036 2.995 0.497 121 HA ILE 16 HA ILE 16 0.971 3.698 -1.327 122 HB ILE 16 HB ILE 16 1.283 2.045 1.083 123 1HG1 ILE 16 1HG1 ILE 16 -0.639 1.522 -1.151 124 2HG1 ILE 16 1HG1 ILE 16 1.091 1.439 -1.468 125 1HG2 ILE 16 1HG2 ILE 16 -0.486 3.223 2.045 126 2HG2 ILE 16 2HG2 ILE 16 -1.275 1.848 1.270 127 3HG2 ILE 16 3HG2 ILE 16 -1.311 3.434 0.500 128 1HD1 ILE 16 1HD1 ILE 16 1.305 -0.514 -0.414 129 2HD1 ILE 16 2HD1 ILE 16 -0.446 -0.623 -0.596 130 3HD1 ILE 16 3HD1 ILE 16 0.248 -0.028 0.912 131 H LEU 17 H LEU 17 1.893 4.670 1.939 132 HA LEU 17 HA LEU 17 -0.287 6.356 2.472 133 1HB LEU 17 1HB LEU 17 2.400 5.907 3.583 134 2HB LEU 17 1HB LEU 17 1.752 7.512 3.862 135 HG LEU 17 HG LEU 17 0.520 4.894 4.713 136 1HD1 LEU 17 1HD1 LEU 17 2.291 5.492 6.170 137 2HD1 LEU 17 2HD1 LEU 17 0.793 5.955 6.977 138 3HD1 LEU 17 3HD1 LEU 17 1.790 7.183 6.196 139 1HD2 LEU 17 1HD2 LEU 17 -1.349 6.170 4.200 140 2HD2 LEU 17 2HD2 LEU 17 -0.568 7.682 4.664 141 3HD2 LEU 17 3HD2 LEU 17 -1.082 6.539 5.904 142 H HIS 18 H HIS 18 2.381 6.729 0.349 143 HA HIS 18 HA HIS 18 2.105 9.635 0.298 144 1HB HIS 18 1HB HIS 18 4.347 8.491 0.437 145 2HB HIS 18 1HB HIS 18 4.098 7.965 -1.223 146 HD1 HIS 18 HD1 HIS 18 5.608 9.369 -2.596 147 HD2 HIS 18 HD2 HIS 18 3.608 11.601 0.282 148 HE1 HIS 18 HE1 HIS 18 6.259 11.760 -3.027 149 HE2 HIS 18 HE2 HIS 18 4.969 13.099 -1.327 150 H LEU 19 H LEU 19 0.451 7.257 -1.249 151 HA LEU 19 HA LEU 19 0.710 8.190 -3.941 152 1HB LEU 19 1HB LEU 19 -1.762 6.743 -3.157 153 2HB LEU 19 1HB LEU 19 -0.773 6.588 -4.576 154 HG LEU 19 HG LEU 19 0.545 5.661 -2.154 155 1HD1 LEU 19 1HD1 LEU 19 -0.879 4.064 -1.464 156 2HD1 LEU 19 2HD1 LEU 19 -1.362 3.667 -3.110 157 3HD1 LEU 19 3HD1 LEU 19 -2.115 5.023 -2.273 158 1HD2 LEU 19 1HD2 LEU 19 0.109 3.905 -4.465 159 2HD2 LEU 19 2HD2 LEU 19 1.594 4.292 -3.597 160 3HD2 LEU 19 3HD2 LEU 19 0.961 5.411 -4.804 161 HA PRO 20 HA PRO 20 -1.985 11.694 -3.107 162 1HB PRO 20 1HB PRO 20 -1.417 13.102 -5.297 163 2HB PRO 20 1HB PRO 20 -0.235 12.908 -3.996 164 1HG PRO 20 1HG PRO 20 -0.423 11.473 -6.616 165 2HG PRO 20 1HG PRO 20 1.009 12.117 -5.793 166 1HD PRO 20 1HD PRO 20 0.234 9.476 -5.722 167 2HD PRO 20 1HD PRO 20 1.235 10.258 -4.484 168 H ASN 21 H ASN 21 -2.194 9.557 -5.845 169 HA ASN 21 HA ASN 21 -4.774 10.727 -6.584 170 1HB ASN 21 1HB ASN 21 -3.394 8.633 -8.229 171 2HB ASN 21 1HB ASN 21 -4.518 9.881 -8.747 172 1HD2 ASN 21 1HD2 ASN 21 -1.769 9.024 -9.532 173 2HD2 ASN 21 2HD2 ASN 21 -0.865 10.484 -9.544 174 H LEU 22 H LEU 22 -4.405 9.056 -4.281 175 HA LEU 22 HA LEU 22 -5.978 6.698 -5.049 176 1HB LEU 22 1HB LEU 22 -3.653 6.831 -3.578 177 2HB LEU 22 1HB LEU 22 -4.893 6.711 -2.343 178 HG LEU 22 HG LEU 22 -5.591 4.814 -4.260 179 1HD1 LEU 22 1HD1 LEU 22 -3.711 4.314 -5.341 180 2HD1 LEU 22 2HD1 LEU 22 -3.195 3.558 -3.834 181 3HD1 LEU 22 3HD1 LEU 22 -2.710 5.213 -4.202 182 1HD2 LEU 22 1HD2 LEU 22 -5.967 4.538 -1.910 183 2HD2 LEU 22 2HD2 LEU 22 -4.234 4.544 -1.585 184 3HD2 LEU 22 3HD2 LEU 22 -4.960 3.204 -2.472 185 H ASN 23 H ASN 23 -7.475 5.932 -3.282 186 HA ASN 23 HA ASN 23 -8.821 8.240 -2.041 187 1HB ASN 23 1HB ASN 23 -9.875 6.063 -3.742 188 2HB ASN 23 1HB ASN 23 -10.841 6.444 -2.321 189 1HD2 ASN 23 1HD2 ASN 23 -11.457 6.810 -5.119 190 2HD2 ASN 23 2HD2 ASN 23 -11.766 8.493 -5.331 191 H GLU 24 H GLU 24 -10.049 7.749 -0.091 192 HA GLU 24 HA GLU 24 -8.589 6.418 1.822 193 1HB GLU 24 1HB GLU 24 -10.641 6.556 3.229 194 2HB GLU 24 1HB GLU 24 -10.204 8.073 2.455 195 1HG GLU 24 1HG GLU 24 -11.883 7.555 0.680 196 2HG GLU 24 1HG GLU 24 -12.397 6.179 1.656 197 H GLU 25 H GLU 25 -11.453 5.268 0.090 198 HA GLU 25 HA GLU 25 -11.728 2.812 1.379 199 1HB GLU 25 1HB GLU 25 -13.359 3.903 -0.213 200 2HB GLU 25 1HB GLU 25 -12.352 3.315 -1.529 201 1HG GLU 25 1HG GLU 25 -13.260 1.344 0.487 202 2HG GLU 25 1HG GLU 25 -14.457 1.979 -0.642 203 H GLN 26 H GLN 26 -9.916 3.610 -1.569 204 HA GLN 26 HA GLN 26 -8.990 0.967 -2.000 205 1HB GLN 26 1HB GLN 26 -8.078 3.646 -3.038 206 2HB GLN 26 1HB GLN 26 -7.301 2.141 -3.510 207 1HG GLN 26 1HG GLN 26 -8.890 1.682 -4.986 208 2HG GLN 26 1HG GLN 26 -10.169 1.986 -3.811 209 1HE2 GLN 26 1HE2 GLN 26 -7.703 4.014 -5.365 210 2HE2 GLN 26 2HE2 GLN 26 -8.808 5.206 -5.951 211 H ARG 27 H ARG 27 -7.391 3.860 -0.673 212 HA ARG 27 HA ARG 27 -4.947 2.622 -0.077 213 1HB ARG 27 1HB ARG 27 -5.623 5.137 -0.059 214 2HB ARG 27 1HB ARG 27 -6.065 4.833 1.613 215 1HG ARG 27 1HG ARG 27 -3.671 3.849 1.798 216 2HG ARG 27 1HG ARG 27 -3.373 4.783 0.331 217 1HD ARG 27 1HD ARG 27 -2.752 6.180 2.128 218 2HD ARG 27 1HD ARG 27 -4.310 6.779 1.565 219 HE ARG 27 HE ARG 27 -3.776 5.379 4.075 220 1HH1 ARG 27 1HH1 ARG 27 -6.094 6.905 1.948 221 2HH1 ARG 27 2HH1 ARG 27 -7.296 7.071 3.182 222 1HH2 ARG 27 1HH2 ARG 27 -5.363 5.596 5.688 223 2HH2 ARG 27 2HH2 ARG 27 -6.884 6.328 5.300 224 H ASN 28 H ASN 28 -8.010 2.649 1.590 225 HA ASN 28 HA ASN 28 -6.996 1.699 4.085 226 1HB ASN 28 1HB ASN 28 -9.714 2.051 2.886 227 2HB ASN 28 1HB ASN 28 -9.544 1.026 4.308 228 1HD2 ASN 28 1HD2 ASN 28 -10.698 3.795 3.689 229 2HD2 ASN 28 2HD2 ASN 28 -10.083 4.778 4.969 230 H ALA 29 H ALA 29 -8.669 0.173 1.333 231 HA ALA 29 HA ALA 29 -8.712 -2.436 2.358 232 1HB ALA 29 1HB ALA 29 -10.046 -2.352 0.531 233 2HB ALA 29 2HB ALA 29 -8.584 -2.918 -0.279 234 3HB ALA 29 3HB ALA 29 -9.004 -1.205 -0.312 235 H PHE 30 H PHE 30 -6.266 -0.658 0.597 236 HA PHE 30 HA PHE 30 -4.502 -2.832 0.153 237 1HB PHE 30 1HB PHE 30 -4.310 0.140 -0.007 238 2HB PHE 30 1HB PHE 30 -2.829 -0.807 -0.028 239 HD1 PHE 30 HD1 PHE 30 -4.786 0.892 -2.131 240 HD2 PHE 30 HD2 PHE 30 -3.417 -3.100 -1.601 241 HE1 PHE 30 HE1 PHE 30 -5.089 0.471 -4.537 242 HE2 PHE 30 HE2 PHE 30 -3.714 -3.530 -4.003 243 HZ PHE 30 HZ PHE 30 -4.547 -1.749 -5.478 244 H ILE 31 H ILE 31 -4.354 -0.136 2.476 245 HA ILE 31 HA ILE 31 -2.117 -0.990 3.899 246 HB ILE 31 HB ILE 31 -4.531 0.526 4.896 247 1HG1 ILE 31 1HG1 ILE 31 -1.819 1.660 4.264 248 2HG1 ILE 31 1HG1 ILE 31 -3.025 1.443 3.000 249 1HG2 ILE 31 1HG2 ILE 31 -2.458 1.299 6.487 250 2HG2 ILE 31 2HG2 ILE 31 -2.141 -0.424 6.288 251 3HG2 ILE 31 3HG2 ILE 31 -3.690 0.119 6.931 252 1HD1 ILE 31 1HD1 ILE 31 -4.069 2.806 5.348 253 2HD1 ILE 31 2HD1 ILE 31 -4.164 3.243 3.642 254 3HD1 ILE 31 3HD1 ILE 31 -2.729 3.657 4.580 255 H GLN 32 H GLN 32 -5.557 -1.688 4.448 256 HA GLN 32 HA GLN 32 -5.207 -3.298 6.723 257 1HB GLN 32 1HB GLN 32 -7.373 -2.296 5.732 258 2HB GLN 32 1HB GLN 32 -7.403 -3.724 4.707 259 1HG GLN 32 1HG GLN 32 -8.799 -4.173 6.553 260 2HG GLN 32 1HG GLN 32 -7.322 -5.106 6.795 261 1HE2 GLN 32 1HE2 GLN 32 -9.528 -3.265 8.312 262 2HE2 GLN 32 2HE2 GLN 32 -8.582 -2.682 9.632 263 H SER 33 H SER 33 -5.529 -4.133 3.291 264 HA SER 33 HA SER 33 -5.342 -6.893 3.509 265 1HB SER 33 1HB SER 33 -5.943 -5.723 1.421 266 2HB SER 33 1HB SER 33 -4.280 -5.160 1.270 267 HG SER 33 HG SER 33 -3.996 -6.958 0.225 268 H LEU 34 H LEU 34 -2.806 -4.474 3.283 269 HA LEU 34 HA LEU 34 -0.641 -6.293 3.154 270 1HB LEU 34 1HB LEU 34 0.028 -4.259 2.392 271 2HB LEU 34 1HB LEU 34 -1.025 -3.383 3.482 272 HG LEU 34 HG LEU 34 1.344 -4.727 4.672 273 1HD1 LEU 34 1HD1 LEU 34 2.442 -2.360 4.070 274 2HD1 LEU 34 2HD1 LEU 34 1.464 -2.602 2.622 275 3HD1 LEU 34 3HD1 LEU 34 2.667 -3.806 3.085 276 1HD2 LEU 34 1HD2 LEU 34 0.255 -1.963 5.118 277 2HD2 LEU 34 2HD2 LEU 34 1.241 -2.943 6.202 278 3HD2 LEU 34 3HD2 LEU 34 -0.438 -3.385 5.896 279 H LYS 35 H LYS 35 -2.420 -4.761 5.735 280 HA LYS 35 HA LYS 35 -0.649 -5.527 7.843 281 1HB LYS 35 1HB LYS 35 -2.997 -3.935 7.547 282 2HB LYS 35 1HB LYS 35 -3.319 -5.134 8.790 283 1HG LYS 35 1HG LYS 35 -2.415 -3.551 10.112 284 2HG LYS 35 1HG LYS 35 -0.913 -4.320 9.604 285 1HD LYS 35 1HD LYS 35 -1.464 -2.476 7.597 286 2HD LYS 35 1HD LYS 35 -1.881 -1.641 9.095 287 1HE LYS 35 1HE LYS 35 0.694 -3.146 8.887 288 2HE LYS 35 1HE LYS 35 0.557 -1.537 8.181 289 1HZ LYS 35 1HZ LYS 35 -0.475 -1.134 10.614 290 2HZ LYS 35 2HZ LYS 35 1.153 -0.886 10.228 291 3HZ LYS 35 3HZ LYS 35 0.670 -2.331 10.962 292 H ASP 36 H ASP 36 -3.234 -7.053 6.106 293 HA ASP 36 HA ASP 36 -3.717 -9.072 8.104 294 1HB ASP 36 1HB ASP 36 -4.836 -8.322 5.495 295 2HB ASP 36 1HB ASP 36 -4.803 -10.058 5.785 296 H ASP 37 H ASP 37 -2.216 -9.005 4.880 297 HA ASP 37 HA ASP 37 -0.588 -11.320 5.665 298 1HB ASP 37 1HB ASP 37 -2.441 -12.097 4.219 299 2HB ASP 37 1HB ASP 37 -1.909 -10.980 2.968 300 HA PRO 38 HA PRO 38 2.135 -7.859 4.270 301 1HB PRO 38 1HB PRO 38 4.029 -9.397 5.945 302 2HB PRO 38 1HB PRO 38 3.653 -7.672 5.963 303 1HG PRO 38 1HG PRO 38 2.792 -9.287 7.906 304 2HG PRO 38 1HG PRO 38 1.787 -7.957 7.302 305 1HD PRO 38 1HD PRO 38 1.609 -10.886 6.713 306 2HD PRO 38 1HD PRO 38 0.306 -9.712 6.995 307 H SER 39 H SER 39 2.398 -11.320 4.161 308 HA SER 39 HA SER 39 4.805 -11.615 2.775 309 1HB SER 39 1HB SER 39 3.091 -13.366 3.816 310 2HB SER 39 1HB SER 39 2.548 -13.456 2.140 311 HG SER 39 HG SER 39 4.154 -14.955 2.369 312 H GLN 40 H GLN 40 1.682 -10.564 1.676 313 HA GLN 40 HA GLN 40 2.661 -10.629 -1.103 314 1HB GLN 40 1HB GLN 40 0.341 -10.658 -1.825 315 2HB GLN 40 1HB GLN 40 0.653 -11.994 -0.724 316 1HG GLN 40 1HG GLN 40 -0.322 -10.604 1.107 317 2HG GLN 40 1HG GLN 40 -0.787 -9.425 -0.119 318 1HE2 GLN 40 1HE2 GLN 40 -2.960 -9.616 0.054 319 2HE2 GLN 40 2HE2 GLN 40 -3.838 -11.055 -0.323 320 H SER 41 H SER 41 3.162 -8.533 0.935 321 HA SER 41 HA SER 41 1.554 -6.276 0.493 322 1HB SER 41 1HB SER 41 3.006 -6.164 2.348 323 2HB SER 41 1HB SER 41 4.411 -6.620 1.385 324 HG SER 41 HG SER 41 2.978 -4.226 0.925 325 H ALA 42 H ALA 42 4.709 -7.122 -0.983 326 HA ALA 42 HA ALA 42 4.973 -5.033 -2.743 327 1HB ALA 42 1HB ALA 42 6.808 -6.349 -2.885 328 2HB ALA 42 2HB ALA 42 5.949 -7.013 -4.274 329 3HB ALA 42 3HB ALA 42 5.885 -7.842 -2.718 330 H ASN 43 H ASN 43 2.760 -7.712 -2.941 331 HA ASN 43 HA ASN 43 2.039 -7.306 -5.680 332 1HB ASN 43 1HB ASN 43 1.559 -9.276 -3.765 333 2HB ASN 43 1HB ASN 43 -0.025 -8.563 -4.055 334 1HD2 ASN 43 1HD2 ASN 43 1.122 -11.200 -4.748 335 2HD2 ASN 43 2HD2 ASN 43 0.889 -11.363 -6.452 336 H LEU 44 H LEU 44 0.711 -6.356 -2.551 337 HA LEU 44 HA LEU 44 -1.549 -5.000 -3.617 338 1HB LEU 44 1HB LEU 44 -0.510 -4.121 -0.998 339 2HB LEU 44 1HB LEU 44 -2.142 -4.542 -1.476 340 HG LEU 44 HG LEU 44 0.074 -6.427 -0.709 341 1HD1 LEU 44 1HD1 LEU 44 -0.852 -5.734 1.270 342 2HD1 LEU 44 2HD1 LEU 44 -1.881 -7.114 0.887 343 3HD1 LEU 44 3HD1 LEU 44 -2.445 -5.475 0.559 344 1HD2 LEU 44 1HD2 LEU 44 -1.985 -8.070 -0.967 345 2HD2 LEU 44 2HD2 LEU 44 -0.900 -7.718 -2.313 346 3HD2 LEU 44 3HD2 LEU 44 -2.453 -6.890 -2.191 347 H LEU 45 H LEU 45 1.743 -4.304 -3.391 348 HA LEU 45 HA LEU 45 1.576 -1.433 -3.310 349 1HB LEU 45 1HB LEU 45 3.560 -3.144 -2.749 350 2HB LEU 45 1HB LEU 45 3.941 -2.856 -4.427 351 HG LEU 45 HG LEU 45 4.225 -0.497 -4.043 352 1HD1 LEU 45 1HD1 LEU 45 4.201 0.095 -1.445 353 2HD1 LEU 45 2HD1 LEU 45 2.942 -1.140 -1.457 354 3HD1 LEU 45 3HD1 LEU 45 2.787 0.288 -2.480 355 1HD2 LEU 45 1HD2 LEU 45 5.678 -2.416 -2.290 356 2HD2 LEU 45 2HD2 LEU 45 6.001 -0.690 -2.120 357 3HD2 LEU 45 3HD2 LEU 45 6.258 -1.487 -3.672 358 H ALA 46 H ALA 46 2.579 -3.851 -5.650 359 HA ALA 46 HA ALA 46 2.692 -2.198 -7.904 360 1HB ALA 46 1HB ALA 46 2.326 -5.138 -7.504 361 2HB ALA 46 2HB ALA 46 3.664 -4.265 -8.251 362 3HB ALA 46 3HB ALA 46 2.138 -4.449 -9.116 363 H GLU 47 H GLU 47 0.016 -3.755 -6.288 364 HA GLU 47 HA GLU 47 -1.877 -3.258 -8.398 365 1HB GLU 47 1HB GLU 47 -2.323 -3.894 -5.475 366 2HB GLU 47 1HB GLU 47 -3.590 -3.840 -6.692 367 1HG GLU 47 1HG GLU 47 -1.439 -5.568 -7.511 368 2HG GLU 47 1HG GLU 47 -2.068 -6.031 -5.932 369 H ALA 48 H ALA 48 -1.195 -1.719 -5.286 370 HA ALA 48 HA ALA 48 -3.128 0.325 -5.583 371 1HB ALA 48 1HB ALA 48 -0.615 0.314 -3.913 372 2HB ALA 48 2HB ALA 48 -2.194 -0.283 -3.400 373 3HB ALA 48 3HB ALA 48 -1.966 1.433 -3.741 374 H LYS 49 H LYS 49 0.059 -0.162 -6.797 375 HA LYS 49 HA LYS 49 0.604 2.555 -7.442 376 1HB LYS 49 1HB LYS 49 2.412 0.922 -7.156 377 2HB LYS 49 1HB LYS 49 1.785 -0.019 -8.500 378 1HG LYS 49 1HG LYS 49 3.116 1.123 -9.850 379 2HG LYS 49 1HG LYS 49 2.162 2.566 -9.505 380 1HD LYS 49 1HD LYS 49 4.538 2.957 -9.090 381 2HD LYS 49 1HD LYS 49 3.604 3.070 -7.597 382 1HE LYS 49 1HE LYS 49 4.513 1.170 -6.721 383 2HE LYS 49 1HE LYS 49 4.755 0.428 -8.302 384 1HZ LYS 49 1HZ LYS 49 6.350 2.793 -7.722 385 2HZ LYS 49 2HZ LYS 49 6.774 1.374 -8.539 386 3HZ LYS 49 3HZ LYS 49 6.738 1.397 -6.848 387 H LYS 50 H LYS 50 -0.470 -0.298 -9.296 388 HA LYS 50 HA LYS 50 -0.797 1.099 -11.736 389 1HB LYS 50 1HB LYS 50 -2.023 -1.464 -10.703 390 2HB LYS 50 1HB LYS 50 -2.280 -0.860 -12.334 391 1HG LYS 50 1HG LYS 50 0.304 -1.769 -11.097 392 2HG LYS 50 1HG LYS 50 -0.574 -2.501 -12.441 393 1HD LYS 50 1HD LYS 50 -0.181 -0.419 -13.748 394 2HD LYS 50 1HD LYS 50 0.822 0.173 -12.421 395 1HE LYS 50 1HE LYS 50 2.026 -0.927 -14.373 396 2HE LYS 50 1HE LYS 50 2.440 -1.495 -12.756 397 1HZ LYS 50 1HZ LYS 50 1.071 -3.412 -13.063 398 2HZ LYS 50 2HZ LYS 50 2.110 -3.297 -14.392 399 3HZ LYS 50 3HZ LYS 50 0.489 -2.839 -14.545 400 H LEU 51 H LEU 51 -2.878 0.418 -8.997 401 HA LEU 51 HA LEU 51 -5.257 1.399 -10.146 402 1HB LEU 51 1HB LEU 51 -4.375 0.952 -7.308 403 2HB LEU 51 1HB LEU 51 -5.944 1.643 -7.679 404 HG LEU 51 HG LEU 51 -4.945 -1.097 -8.449 405 1HD1 LEU 51 1HD1 LEU 51 -5.997 -0.308 -6.089 406 2HD1 LEU 51 2HD1 LEU 51 -6.187 -1.925 -6.766 407 3HD1 LEU 51 3HD1 LEU 51 -7.463 -0.726 -6.976 408 1HD2 LEU 51 1HD2 LEU 51 -6.223 -0.530 -10.293 409 2HD2 LEU 51 2HD2 LEU 51 -7.326 0.472 -9.349 410 3HD2 LEU 51 3HD2 LEU 51 -7.410 -1.286 -9.230 411 H ASN 52 H ASN 52 -2.884 2.913 -7.971 412 HA ASN 52 HA ASN 52 -4.092 5.403 -7.750 413 1HB ASN 52 1HB ASN 52 -2.123 4.384 -6.476 414 2HB ASN 52 1HB ASN 52 -1.217 5.111 -7.747 415 1HD2 ASN 52 1HD2 ASN 52 -0.444 7.019 -7.361 416 2HD2 ASN 52 2HD2 ASN 52 -1.130 8.167 -6.281 417 H ASP 53 H ASP 53 -1.970 4.116 -10.148 418 HA ASP 53 HA ASP 53 -1.556 6.645 -11.476 419 1HB ASP 53 1HB ASP 53 -1.030 3.824 -12.420 420 2HB ASP 53 1HB ASP 53 -0.421 5.292 -13.181 421 H ALA 54 H ALA 54 -3.701 3.923 -11.798 422 HA ALA 54 HA ALA 54 -4.668 4.455 -14.381 423 1HB ALA 54 1HB ALA 54 -6.496 2.922 -13.799 424 2HB ALA 54 2HB ALA 54 -5.951 2.946 -12.122 425 3HB ALA 54 3HB ALA 54 -4.905 2.287 -13.380 426 H GLN 55 H GLN 55 -5.612 5.921 -11.313 427 HA GLN 55 HA GLN 55 -7.942 7.074 -12.668 428 1HB GLN 55 1HB GLN 55 -8.877 7.565 -10.536 429 2HB GLN 55 1HB GLN 55 -8.291 5.909 -10.479 430 1HG GLN 55 1HG GLN 55 -6.574 8.141 -9.509 431 2HG GLN 55 1HG GLN 55 -7.842 7.478 -8.482 432 1HE2 GLN 55 1HE2 GLN 55 -7.183 6.015 -7.155 433 2HE2 GLN 55 2HE2 GLN 55 -5.884 4.920 -7.424 434 H ALA 56 H ALA 56 -4.953 7.877 -12.726 435 HA ALA 56 HA ALA 56 -4.719 10.395 -11.484 436 1HB ALA 56 1HB ALA 56 -2.647 9.716 -12.050 437 2HB ALA 56 2HB ALA 56 -2.985 10.601 -13.538 438 3HB ALA 56 3HB ALA 56 -3.205 8.852 -13.483 439 HA PRO 57 HA PRO 57 -6.726 13.447 -13.924 440 1HB PRO 57 1HB PRO 57 -4.067 14.513 -14.759 441 2HB PRO 57 1HB PRO 57 -5.444 15.359 -14.044 442 1HG PRO 57 1HG PRO 57 -3.301 14.780 -12.578 443 2HG PRO 57 1HG PRO 57 -4.933 14.649 -11.895 444 1HD PRO 57 1HD PRO 57 -3.076 12.496 -12.800 445 2HD PRO 57 1HD PRO 57 -4.238 12.496 -11.458 446 H LYS 58 H LYS 58 -7.509 13.641 -15.968 447 HA LYS 58 HA LYS 58 -6.453 11.865 -17.978 448 1HB LYS 58 1HB LYS 58 -8.905 13.519 -17.650 449 2HB LYS 58 1HB LYS 58 -8.424 13.102 -19.288 450 1HG LYS 58 1HG LYS 58 -8.809 11.077 -17.097 451 2HG LYS 58 1HG LYS 58 -10.069 11.545 -18.241 452 1HD LYS 58 1HD LYS 58 -7.378 10.507 -19.103 453 2HD LYS 58 1HD LYS 58 -8.763 9.453 -18.813 454 1HE LYS 58 1HE LYS 58 -8.798 11.778 -20.729 455 2HE LYS 58 1HE LYS 58 -8.418 10.125 -21.206 456 1HZ LYS 58 1HZ LYS 58 -10.557 9.503 -21.068 457 2HZ LYS 58 2HZ LYS 58 -10.876 11.155 -21.243 458 3HZ LYS 58 3HZ LYS 58 -10.876 10.453 -19.704 Start of MODEL 5 1 1H VAL 1 1HT VAL 1 4.443 -2.007 18.994 2 2H VAL 1 2HT VAL 1 5.452 -2.281 17.632 3 3H VAL 1 3HT VAL 1 6.040 -2.589 19.215 4 HA VAL 1 HA VAL 1 5.561 -4.652 18.506 5 HB VAL 1 HB VAL 1 2.897 -3.786 19.632 6 1HG1 VAL 1 1HG1 VAL 1 4.249 -6.368 19.183 7 2HG1 VAL 1 2HG1 VAL 1 2.530 -5.977 19.231 8 3HG1 VAL 1 3HG1 VAL 1 3.431 -6.181 20.734 9 1HG2 VAL 1 1HG2 VAL 1 5.274 -4.657 21.252 10 2HG2 VAL 1 2HG2 VAL 1 3.773 -3.921 21.812 11 3HG2 VAL 1 3HG2 VAL 1 4.941 -2.961 20.904 12 H ASP 2 H ASP 2 2.551 -2.862 17.808 13 HA ASP 2 HA ASP 2 1.617 -4.636 15.862 14 1HB ASP 2 1HB ASP 2 1.045 -1.690 16.235 15 2HB ASP 2 1HB ASP 2 0.142 -2.745 15.153 16 H ASN 3 H ASN 3 3.955 -2.072 15.655 17 HA ASN 3 HA ASN 3 3.891 -2.123 12.739 18 1HB ASN 3 1HB ASN 3 5.060 -0.308 14.791 19 2HB ASN 3 1HB ASN 3 5.861 -0.391 13.225 20 1HD2 ASN 3 1HD2 ASN 3 4.972 0.607 11.511 21 2HD2 ASN 3 2HD2 ASN 3 3.493 1.498 11.559 22 H LYS 4 H LYS 4 4.649 -4.545 13.640 23 HA LYS 4 HA LYS 4 7.572 -4.615 13.517 24 1HB LYS 4 1HB LYS 4 5.709 -6.063 15.028 25 2HB LYS 4 1HB LYS 4 6.319 -7.206 13.842 26 1HG LYS 4 1HG LYS 4 7.593 -7.252 15.933 27 2HG LYS 4 1HG LYS 4 8.590 -6.790 14.553 28 1HD LYS 4 1HD LYS 4 7.423 -4.452 15.747 29 2HD LYS 4 1HD LYS 4 8.254 -5.405 16.977 30 1HE LYS 4 1HE LYS 4 10.282 -5.403 15.645 31 2HE LYS 4 1HE LYS 4 9.458 -4.532 14.353 32 1HZ LYS 4 1HZ LYS 4 9.384 -3.286 16.976 33 2HZ LYS 4 2HZ LYS 4 9.604 -2.588 15.451 34 3HZ LYS 4 3HZ LYS 4 10.903 -3.339 16.232 35 H PHE 5 H PHE 5 6.975 -3.882 11.169 36 HA PHE 5 HA PHE 5 6.427 -6.203 9.471 37 1HB PHE 5 1HB PHE 5 6.476 -3.241 8.886 38 2HB PHE 5 1HB PHE 5 6.297 -4.468 7.636 39 HD1 PHE 5 HD1 PHE 5 4.129 -4.180 6.846 40 HD2 PHE 5 HD2 PHE 5 4.803 -4.356 11.039 41 HE1 PHE 5 HE1 PHE 5 1.703 -4.203 7.230 42 HE2 PHE 5 HE2 PHE 5 2.380 -4.380 11.433 43 HZ PHE 5 HZ PHE 5 0.826 -4.302 9.528 44 H ASN 6 H ASN 6 7.721 -5.782 7.198 45 HA ASN 6 HA ASN 6 10.562 -5.718 7.979 46 1HB ASN 6 1HB ASN 6 10.949 -7.211 6.024 47 2HB ASN 6 1HB ASN 6 9.911 -7.928 7.251 48 1HD2 ASN 6 1HD2 ASN 6 7.597 -7.855 6.871 49 2HD2 ASN 6 2HD2 ASN 6 7.010 -7.926 5.248 50 H LYS 7 H LYS 7 12.070 -5.118 6.205 51 HA LYS 7 HA LYS 7 11.625 -2.539 5.321 52 1HB LYS 7 1HB LYS 7 13.574 -3.022 3.740 53 2HB LYS 7 1HB LYS 7 13.856 -3.234 5.462 54 1HG LYS 7 1HG LYS 7 13.001 -5.727 4.608 55 2HG LYS 7 1HG LYS 7 14.042 -5.150 3.306 56 1HD LYS 7 1HD LYS 7 15.699 -4.546 5.172 57 2HD LYS 7 1HD LYS 7 14.709 -5.583 6.201 58 1HE LYS 7 1HE LYS 7 15.884 -6.482 3.579 59 2HE LYS 7 1HE LYS 7 16.700 -6.693 5.128 60 1HZ LYS 7 1HZ LYS 7 15.202 -8.569 4.155 61 2HZ LYS 7 2HZ LYS 7 13.945 -7.663 4.832 62 3HZ LYS 7 3HZ LYS 7 15.190 -8.247 5.816 63 H GLU 8 H GLU 8 11.693 -5.449 3.230 64 HA GLU 8 HA GLU 8 10.934 -4.336 0.844 65 1HB GLU 8 1HB GLU 8 9.851 -6.968 1.847 66 2HB GLU 8 1HB GLU 8 10.148 -6.496 0.179 67 1HG GLU 8 1HG GLU 8 12.601 -6.292 0.865 68 2HG GLU 8 1HG GLU 8 12.135 -7.187 2.311 69 H GLN 9 H GLN 9 8.945 -4.863 3.639 70 HA GLN 9 HA GLN 9 6.509 -4.301 2.195 71 1HB GLN 9 1HB GLN 9 6.788 -5.957 4.151 72 2HB GLN 9 1HB GLN 9 6.740 -4.526 5.174 73 1HG GLN 9 1HG GLN 9 4.536 -4.319 4.962 74 2HG GLN 9 1HG GLN 9 4.588 -4.590 3.223 75 1HE2 GLN 9 1HE2 GLN 9 3.226 -5.661 5.878 76 2HE2 GLN 9 2HE2 GLN 9 3.062 -7.335 5.517 77 H GLN 10 H GLN 10 8.827 -2.670 4.205 78 HA GLN 10 HA GLN 10 7.116 -0.434 4.767 79 1HB GLN 10 1HB GLN 10 9.934 -1.174 5.413 80 2HB GLN 10 1HB GLN 10 9.459 0.515 5.528 81 1HG GLN 10 1HG GLN 10 7.441 -0.802 6.861 82 2HG GLN 10 1HG GLN 10 8.886 -1.707 7.302 83 1HE2 GLN 10 1HE2 GLN 10 7.228 -0.079 8.969 84 2HE2 GLN 10 2HE2 GLN 10 8.231 1.173 9.598 85 H ASN 11 H ASN 11 9.519 -1.252 2.321 86 HA ASN 11 HA ASN 11 9.806 1.464 1.413 87 1HB ASN 11 1HB ASN 11 10.437 0.100 -0.795 88 2HB ASN 11 1HB ASN 11 11.575 0.253 0.536 89 1HD2 ASN 11 1HD2 ASN 11 9.300 -1.794 -1.087 90 2HD2 ASN 11 2HD2 ASN 11 9.906 -3.280 -0.471 91 H ALA 12 H ALA 12 7.939 -1.377 0.539 92 HA ALA 12 HA ALA 12 6.451 -0.240 -1.557 93 1HB ALA 12 1HB ALA 12 5.495 -2.390 0.326 94 2HB ALA 12 2HB ALA 12 6.615 -2.687 -1.003 95 3HB ALA 12 3HB ALA 12 4.983 -2.111 -1.338 96 H PHE 13 H PHE 13 5.935 -0.408 1.939 97 HA PHE 13 HA PHE 13 3.379 0.676 2.063 98 1HB PHE 13 1HB PHE 13 4.755 -0.363 3.934 99 2HB PHE 13 1HB PHE 13 5.531 1.211 4.090 100 HD1 PHE 13 HD1 PHE 13 2.898 -0.802 5.175 101 HD2 PHE 13 HD2 PHE 13 3.900 3.223 4.279 102 HE1 PHE 13 HE1 PHE 13 1.023 -0.036 6.576 103 HE2 PHE 13 HE2 PHE 13 2.030 4.009 5.679 104 HZ PHE 13 HZ PHE 13 0.587 2.377 6.831 105 H TYR 14 H TYR 14 6.513 2.280 2.165 106 HA TYR 14 HA TYR 14 5.517 4.912 2.393 107 1HB TYR 14 1HB TYR 14 8.102 3.637 1.893 108 2HB TYR 14 1HB TYR 14 7.915 5.153 1.017 109 HD1 TYR 14 HD1 TYR 14 6.869 4.011 4.423 110 HD2 TYR 14 HD2 TYR 14 9.030 6.850 2.105 111 HE1 TYR 14 HE1 TYR 14 7.423 5.254 6.472 112 HE2 TYR 14 HE2 TYR 14 9.590 8.100 4.146 113 HH TYR 14 HH TYR 14 9.518 6.970 7.074 114 H GLU 15 H GLU 15 6.177 2.805 -0.343 115 HA GLU 15 HA GLU 15 5.919 4.679 -2.408 116 1HB GLU 15 1HB GLU 15 5.735 1.741 -2.161 117 2HB GLU 15 1HB GLU 15 4.877 2.430 -3.532 118 1HG GLU 15 1HG GLU 15 7.738 3.114 -2.961 119 2HG GLU 15 1HG GLU 15 7.288 1.678 -3.880 120 H ILE 16 H ILE 16 3.541 2.737 -0.689 121 HA ILE 16 HA ILE 16 1.283 3.631 -2.158 122 HB ILE 16 HB ILE 16 1.815 2.018 0.263 123 1HG1 ILE 16 1HG1 ILE 16 -0.376 1.100 -1.330 124 2HG1 ILE 16 1HG1 ILE 16 0.919 1.617 -2.405 125 1HG2 ILE 16 1HG2 ILE 16 -0.710 3.564 -0.127 126 2HG2 ILE 16 2HG2 ILE 16 0.181 3.226 1.357 127 3HG2 ILE 16 3HG2 ILE 16 -0.777 1.957 0.594 128 1HD1 ILE 16 1HD1 ILE 16 1.353 -0.629 -2.038 129 2HD1 ILE 16 2HD1 ILE 16 0.945 -0.530 -0.326 130 3HD1 ILE 16 3HD1 ILE 16 2.443 0.188 -0.919 131 H LEU 17 H LEU 17 2.859 4.577 0.847 132 HA LEU 17 HA LEU 17 0.921 6.432 1.714 133 1HB LEU 17 1HB LEU 17 3.716 5.772 2.383 134 2HB LEU 17 1HB LEU 17 3.230 7.415 2.754 135 HG LEU 17 HG LEU 17 1.992 4.877 3.813 136 1HD1 LEU 17 1HD1 LEU 17 2.659 6.338 5.959 137 2HD1 LEU 17 2HD1 LEU 17 3.907 6.876 4.835 138 3HD1 LEU 17 3HD1 LEU 17 3.740 5.162 5.213 139 1HD2 LEU 17 1HD2 LEU 17 0.097 6.026 4.030 140 2HD2 LEU 17 2HD2 LEU 17 0.863 7.526 3.506 141 3HD2 LEU 17 3HD2 LEU 17 0.940 7.041 5.200 142 H HIS 18 H HIS 18 3.137 6.536 -0.871 143 HA HIS 18 HA HIS 18 3.178 9.458 -0.911 144 1HB HIS 18 1HB HIS 18 5.282 8.079 -1.172 145 2HB HIS 18 1HB HIS 18 4.674 7.607 -2.755 146 HD1 HIS 18 HD1 HIS 18 4.475 11.087 -1.286 147 HD2 HIS 18 HD2 HIS 18 6.422 9.021 -4.320 148 HE1 HIS 18 HE1 HIS 18 5.670 12.841 -2.634 149 HE2 HIS 18 HE2 HIS 18 6.918 11.558 -4.407 150 H LEU 19 H LEU 19 1.057 7.239 -2.099 151 HA LEU 19 HA LEU 19 0.897 8.165 -4.797 152 1HB LEU 19 1HB LEU 19 -1.500 6.925 -3.547 153 2HB LEU 19 1HB LEU 19 -0.816 6.701 -5.125 154 HG LEU 19 HG LEU 19 0.790 5.655 -2.913 155 1HD1 LEU 19 1HD1 LEU 19 -1.033 4.681 -1.966 156 2HD1 LEU 19 2HD1 LEU 19 -0.771 3.518 -3.264 157 3HD1 LEU 19 3HD1 LEU 19 -1.981 4.787 -3.448 158 1HD2 LEU 19 1HD2 LEU 19 1.755 5.061 -4.868 159 2HD2 LEU 19 2HD2 LEU 19 0.228 5.084 -5.749 160 3HD2 LEU 19 3HD2 LEU 19 0.634 3.708 -4.724 161 HA PRO 20 HA PRO 20 -1.104 11.971 -3.512 162 1HB PRO 20 1HB PRO 20 -0.998 13.229 -5.877 163 2HB PRO 20 1HB PRO 20 0.438 12.984 -4.876 164 1HG PRO 20 1HG PRO 20 -0.498 11.422 -7.255 165 2HG PRO 20 1HG PRO 20 1.134 12.001 -6.872 166 1HD PRO 20 1HD PRO 20 0.317 9.447 -6.410 167 2HD PRO 20 1HD PRO 20 1.544 10.266 -5.423 168 H ASN 21 H ASN 21 -2.216 10.089 -6.313 169 HA ASN 21 HA ASN 21 -4.830 11.389 -6.033 170 1HB ASN 21 1HB ASN 21 -5.323 10.655 -8.303 171 2HB ASN 21 1HB ASN 21 -3.823 11.568 -8.272 172 1HD2 ASN 21 1HD2 ASN 21 -2.864 10.769 -9.990 173 2HD2 ASN 21 2HD2 ASN 21 -2.413 9.121 -10.171 174 H LEU 22 H LEU 22 -3.926 9.405 -4.251 175 HA LEU 22 HA LEU 22 -5.500 7.019 -4.929 176 1HB LEU 22 1HB LEU 22 -3.401 6.345 -4.196 177 2HB LEU 22 1HB LEU 22 -3.291 7.625 -3.009 178 HG LEU 22 HG LEU 22 -5.188 6.318 -1.791 179 1HD1 LEU 22 1HD1 LEU 22 -4.450 4.514 -3.973 180 2HD1 LEU 22 2HD1 LEU 22 -5.893 4.542 -2.960 181 3HD1 LEU 22 3HD1 LEU 22 -4.420 3.769 -2.375 182 1HD2 LEU 22 1HD2 LEU 22 -2.323 6.190 -1.773 183 2HD2 LEU 22 2HD2 LEU 22 -3.006 4.636 -1.297 184 3HD2 LEU 22 3HD2 LEU 22 -3.456 6.102 -0.428 185 H ASN 23 H ASN 23 -6.981 6.136 -3.386 186 HA ASN 23 HA ASN 23 -8.280 8.223 -1.768 187 1HB ASN 23 1HB ASN 23 -9.399 6.626 -3.669 188 2HB ASN 23 1HB ASN 23 -9.707 5.674 -2.221 189 1HD2 ASN 23 1HD2 ASN 23 -11.566 7.038 -3.959 190 2HD2 ASN 23 2HD2 ASN 23 -12.429 8.153 -2.966 191 H GLU 24 H GLU 24 -8.822 7.863 0.370 192 HA GLU 24 HA GLU 24 -7.063 6.454 1.938 193 1HB GLU 24 1HB GLU 24 -8.720 6.773 3.779 194 2HB GLU 24 1HB GLU 24 -8.338 8.237 2.883 195 1HG GLU 24 1HG GLU 24 -10.439 7.685 1.505 196 2HG GLU 24 1HG GLU 24 -10.841 6.602 2.837 197 H GLU 25 H GLU 25 -10.376 5.500 1.090 198 HA GLU 25 HA GLU 25 -10.575 3.148 2.491 199 1HB GLU 25 1HB GLU 25 -11.724 4.094 -0.094 200 2HB GLU 25 1HB GLU 25 -11.949 2.408 0.351 201 1HG GLU 25 1HG GLU 25 -13.786 3.175 1.370 202 2HG GLU 25 1HG GLU 25 -12.661 3.618 2.653 203 H GLN 26 H GLN 26 -9.069 3.634 -0.675 204 HA GLN 26 HA GLN 26 -8.451 0.891 -1.073 205 1HB GLN 26 1HB GLN 26 -8.406 3.156 -2.648 206 2HB GLN 26 1HB GLN 26 -6.699 2.787 -2.448 207 1HG GLN 26 1HG GLN 26 -6.853 1.225 -3.998 208 2HG GLN 26 1HG GLN 26 -8.035 0.360 -3.017 209 1HE2 GLN 26 1HE2 GLN 26 -7.511 2.353 -5.756 210 2HE2 GLN 26 2HE2 GLN 26 -9.140 2.377 -6.332 211 H ARG 27 H ARG 27 -6.513 3.685 -0.024 212 HA ARG 27 HA ARG 27 -4.108 2.284 0.334 213 1HB ARG 27 1HB ARG 27 -4.616 4.842 0.356 214 2HB ARG 27 1HB ARG 27 -4.859 4.601 2.072 215 1HG ARG 27 1HG ARG 27 -2.536 3.453 1.990 216 2HG ARG 27 1HG ARG 27 -2.359 4.330 0.473 217 1HD ARG 27 1HD ARG 27 -2.678 5.410 3.250 218 2HD ARG 27 1HD ARG 27 -1.417 5.749 2.067 219 HE ARG 27 HE ARG 27 -4.106 6.613 1.376 220 1HH1 ARG 27 1HH1 ARG 27 -0.982 7.481 2.681 221 2HH1 ARG 27 2HH1 ARG 27 -1.199 9.174 2.396 222 1HH2 ARG 27 1HH2 ARG 27 -4.387 8.838 1.006 223 2HH2 ARG 27 2HH2 ARG 27 -3.130 9.945 1.448 224 H ASN 28 H ASN 28 -6.998 2.436 2.241 225 HA ASN 28 HA ASN 28 -5.768 1.530 4.667 226 1HB ASN 28 1HB ASN 28 -8.509 2.189 3.758 227 2HB ASN 28 1HB ASN 28 -8.398 0.979 5.033 228 1HD2 ASN 28 1HD2 ASN 28 -9.214 3.931 4.807 229 2HD2 ASN 28 2HD2 ASN 28 -8.427 4.662 6.160 230 H ALA 29 H ALA 29 -7.917 0.070 2.220 231 HA ALA 29 HA ALA 29 -7.912 -2.527 3.275 232 1HB ALA 29 1HB ALA 29 -9.279 -1.414 1.309 233 2HB ALA 29 2HB ALA 29 -9.017 -3.157 1.370 234 3HB ALA 29 3HB ALA 29 -8.015 -2.152 0.324 235 H PHE 30 H PHE 30 -5.637 -0.812 1.292 236 HA PHE 30 HA PHE 30 -4.064 -3.055 0.520 237 1HB PHE 30 1HB PHE 30 -3.781 -0.087 0.384 238 2HB PHE 30 1HB PHE 30 -2.361 -1.089 0.125 239 HD1 PHE 30 HD1 PHE 30 -3.457 -3.363 -1.339 240 HD2 PHE 30 HD2 PHE 30 -4.344 0.784 -1.681 241 HE1 PHE 30 HE1 PHE 30 -4.136 -3.708 -3.677 242 HE2 PHE 30 HE2 PHE 30 -5.026 0.447 -4.021 243 HZ PHE 30 HZ PHE 30 -4.921 -1.802 -5.022 244 H ILE 31 H ILE 31 -3.479 -0.397 2.820 245 HA ILE 31 HA ILE 31 -1.106 -1.402 3.900 246 HB ILE 31 HB ILE 31 -3.232 0.301 5.206 247 1HG1 ILE 31 1HG1 ILE 31 -0.539 1.197 4.208 248 2HG1 ILE 31 1HG1 ILE 31 -1.922 1.099 3.124 249 1HG2 ILE 31 1HG2 ILE 31 -0.908 0.892 6.505 250 2HG2 ILE 31 2HG2 ILE 31 -0.765 -0.851 6.278 251 3HG2 ILE 31 3HG2 ILE 31 -2.165 -0.184 7.117 252 1HD1 ILE 31 1HD1 ILE 31 -2.498 2.533 5.589 253 2HD1 ILE 31 2HD1 ILE 31 -2.800 2.986 3.912 254 3HD1 ILE 31 3HD1 ILE 31 -1.213 3.267 4.629 255 H GLN 32 H GLN 32 -4.486 -1.905 4.871 256 HA GLN 32 HA GLN 32 -3.972 -3.501 7.121 257 1HB GLN 32 1HB GLN 32 -6.205 -2.453 6.243 258 2HB GLN 32 1HB GLN 32 -6.365 -3.969 5.367 259 1HG GLN 32 1HG GLN 32 -6.037 -3.720 8.348 260 2HG GLN 32 1HG GLN 32 -7.566 -3.968 7.507 261 1HE2 GLN 32 1HE2 GLN 32 -6.109 -5.613 9.485 262 2HE2 GLN 32 2HE2 GLN 32 -5.937 -7.165 8.748 263 H SER 33 H SER 33 -4.735 -4.404 3.763 264 HA SER 33 HA SER 33 -4.534 -7.155 3.987 265 1HB SER 33 1HB SER 33 -5.315 -6.106 1.935 266 2HB SER 33 1HB SER 33 -3.728 -5.390 1.665 267 HG SER 33 HG SER 33 -4.579 -7.734 0.846 268 H LEU 34 H LEU 34 -2.050 -4.736 3.562 269 HA LEU 34 HA LEU 34 0.167 -6.415 3.184 270 1HB LEU 34 1HB LEU 34 -0.150 -3.822 2.957 271 2HB LEU 34 1HB LEU 34 0.340 -3.803 4.639 272 HG LEU 34 HG LEU 34 2.480 -4.739 4.101 273 1HD1 LEU 34 1HD1 LEU 34 1.116 -5.551 1.682 274 2HD1 LEU 34 2HD1 LEU 34 2.590 -6.182 2.412 275 3HD1 LEU 34 3HD1 LEU 34 2.666 -4.784 1.341 276 1HD2 LEU 34 1HD2 LEU 34 2.842 -2.532 3.823 277 2HD2 LEU 34 2HD2 LEU 34 1.497 -2.346 2.697 278 3HD2 LEU 34 3HD2 LEU 34 3.039 -2.988 2.130 279 H LYS 35 H LYS 35 -1.351 -5.076 6.073 280 HA LYS 35 HA LYS 35 0.571 -6.059 7.913 281 1HB LYS 35 1HB LYS 35 -0.881 -4.205 8.502 282 2HB LYS 35 1HB LYS 35 -2.306 -5.212 8.291 283 1HG LYS 35 1HG LYS 35 -0.357 -6.257 10.213 284 2HG LYS 35 1HG LYS 35 -1.087 -4.715 10.664 285 1HD LYS 35 1HD LYS 35 -2.951 -6.748 9.632 286 2HD LYS 35 1HD LYS 35 -2.195 -7.128 11.181 287 1HE LYS 35 1HE LYS 35 -3.826 -4.695 10.480 288 2HE LYS 35 1HE LYS 35 -4.244 -5.975 11.618 289 1HZ LYS 35 1HZ LYS 35 -1.941 -5.153 12.645 290 2HZ LYS 35 2HZ LYS 35 -3.435 -4.498 13.091 291 3HZ LYS 35 3HZ LYS 35 -2.468 -3.701 11.956 292 H ASP 36 H ASP 36 -2.258 -7.411 6.401 293 HA ASP 36 HA ASP 36 -2.587 -9.587 8.214 294 1HB ASP 36 1HB ASP 36 -4.142 -8.491 6.272 295 2HB ASP 36 1HB ASP 36 -3.560 -9.937 5.451 296 H ASP 37 H ASP 37 -1.620 -9.650 4.777 297 HA ASP 37 HA ASP 37 0.169 -11.902 5.418 298 1HB ASP 37 1HB ASP 37 -1.854 -12.537 4.083 299 2HB ASP 37 1HB ASP 37 -1.284 -11.469 2.805 300 HA PRO 38 HA PRO 38 2.908 -8.507 3.950 301 1HB PRO 38 1HB PRO 38 4.882 -10.308 5.237 302 2HB PRO 38 1HB PRO 38 4.644 -8.571 5.444 303 1HG PRO 38 1HG PRO 38 3.901 -10.289 7.342 304 2HG PRO 38 1HG PRO 38 2.926 -8.853 6.973 305 1HD PRO 38 1HD PRO 38 2.475 -11.706 6.189 306 2HD PRO 38 1HD PRO 38 1.300 -10.480 6.711 307 H SER 39 H SER 39 2.992 -11.959 3.519 308 HA SER 39 HA SER 39 5.178 -12.132 1.759 309 1HB SER 39 1HB SER 39 2.820 -13.883 2.350 310 2HB SER 39 1HB SER 39 3.884 -14.273 0.998 311 HG SER 39 HG SER 39 4.267 -14.856 3.512 312 H GLN 40 H GLN 40 2.118 -10.732 1.241 313 HA GLN 40 HA GLN 40 2.508 -10.961 -1.672 314 1HB GLN 40 1HB GLN 40 0.108 -10.805 -1.964 315 2HB GLN 40 1HB GLN 40 0.495 -12.139 -0.886 316 1HG GLN 40 1HG GLN 40 -0.419 -11.119 0.938 317 2HG GLN 40 1HG GLN 40 -0.133 -9.496 0.314 318 1HE2 GLN 40 1HE2 GLN 40 -2.557 -10.803 1.409 319 2HE2 GLN 40 2HE2 GLN 40 -3.772 -10.591 0.199 320 H SER 41 H SER 41 3.629 -8.904 0.075 321 HA SER 41 HA SER 41 2.151 -6.516 -0.051 322 1HB SER 41 1HB SER 41 4.274 -5.382 0.396 323 2HB SER 41 1HB SER 41 4.140 -6.830 1.395 324 HG SER 41 HG SER 41 5.462 -7.900 -0.158 325 H ALA 42 H ALA 42 4.841 -7.607 -2.147 326 HA ALA 42 HA ALA 42 4.892 -5.571 -3.975 327 1HB ALA 42 1HB ALA 42 5.051 -8.230 -5.212 328 2HB ALA 42 2HB ALA 42 6.092 -8.000 -3.807 329 3HB ALA 42 3HB ALA 42 6.225 -6.914 -5.191 330 H ASN 43 H ASN 43 2.444 -8.022 -3.646 331 HA ASN 43 HA ASN 43 1.205 -7.548 -6.178 332 1HB ASN 43 1HB ASN 43 1.004 -9.636 -4.682 333 2HB ASN 43 1HB ASN 43 -0.181 -8.708 -3.768 334 1HD2 ASN 43 1HD2 ASN 43 -2.185 -8.365 -4.607 335 2HD2 ASN 43 2HD2 ASN 43 -2.744 -9.089 -6.072 336 H LEU 44 H LEU 44 0.642 -6.450 -2.862 337 HA LEU 44 HA LEU 44 -1.662 -4.909 -3.510 338 1HB LEU 44 1HB LEU 44 -0.096 -4.144 -1.127 339 2HB LEU 44 1HB LEU 44 -1.818 -4.408 -1.304 340 HG LEU 44 HG LEU 44 0.313 -6.507 -0.938 341 1HD1 LEU 44 1HD1 LEU 44 -2.092 -6.138 0.783 342 2HD1 LEU 44 2HD1 LEU 44 -0.701 -5.073 0.993 343 3HD1 LEU 44 3HD1 LEU 44 -0.514 -6.817 1.182 344 1HD2 LEU 44 1HD2 LEU 44 -1.777 -6.935 -2.534 345 2HD2 LEU 44 2HD2 LEU 44 -2.564 -7.218 -0.982 346 3HD2 LEU 44 3HD2 LEU 44 -1.155 -8.172 -1.442 347 H LEU 45 H LEU 45 1.683 -4.447 -3.857 348 HA LEU 45 HA LEU 45 1.683 -1.566 -3.790 349 1HB LEU 45 1HB LEU 45 3.637 -3.368 -3.486 350 2HB LEU 45 1HB LEU 45 3.784 -3.127 -5.208 351 HG LEU 45 HG LEU 45 4.276 -0.799 -4.934 352 1HD1 LEU 45 1HD1 LEU 45 4.584 -0.042 -2.441 353 2HD1 LEU 45 2HD1 LEU 45 3.361 -1.277 -2.143 354 3HD1 LEU 45 3HD1 LEU 45 3.013 0.064 -3.234 355 1HD2 LEU 45 1HD2 LEU 45 6.207 -2.146 -4.742 356 2HD2 LEU 45 2HD2 LEU 45 5.813 -2.606 -3.086 357 3HD2 LEU 45 3HD2 LEU 45 6.313 -0.954 -3.447 358 H ALA 46 H ALA 46 2.269 -4.021 -6.228 359 HA ALA 46 HA ALA 46 2.106 -2.350 -8.471 360 1HB ALA 46 1HB ALA 46 1.937 -4.326 -9.781 361 2HB ALA 46 2HB ALA 46 1.280 -5.248 -8.429 362 3HB ALA 46 3HB ALA 46 2.964 -4.724 -8.404 363 H GLU 47 H GLU 47 -0.342 -3.880 -6.517 364 HA GLU 47 HA GLU 47 -2.492 -3.386 -8.356 365 1HB GLU 47 1HB GLU 47 -2.255 -4.418 -5.578 366 2HB GLU 47 1HB GLU 47 -3.811 -3.762 -6.066 367 1HG GLU 47 1HG GLU 47 -3.699 -5.310 -8.054 368 2HG GLU 47 1HG GLU 47 -2.324 -6.078 -7.262 369 H ALA 48 H ALA 48 -1.417 -1.852 -5.350 370 HA ALA 48 HA ALA 48 -3.399 0.179 -5.437 371 1HB ALA 48 1HB ALA 48 -2.315 1.144 -3.590 372 2HB ALA 48 2HB ALA 48 -0.754 0.459 -4.040 373 3HB ALA 48 3HB ALA 48 -2.025 -0.586 -3.409 374 H LYS 49 H LYS 49 -0.394 -0.323 -7.005 375 HA LYS 49 HA LYS 49 0.104 2.406 -7.666 376 1HB LYS 49 1HB LYS 49 1.924 0.750 -7.580 377 2HB LYS 49 1HB LYS 49 1.160 -0.160 -8.873 378 1HG LYS 49 1HG LYS 49 2.499 0.976 -10.241 379 2HG LYS 49 1HG LYS 49 1.406 2.336 -9.976 380 1HD LYS 49 1HD LYS 49 3.526 3.216 -9.534 381 2HD LYS 49 1HD LYS 49 2.867 2.862 -7.935 382 1HE LYS 49 1HE LYS 49 4.441 0.740 -9.291 383 2HE LYS 49 1HE LYS 49 5.317 2.129 -8.650 384 1HZ LYS 49 1HZ LYS 49 5.307 0.839 -6.811 385 2HZ LYS 49 2HZ LYS 49 3.889 0.019 -7.233 386 3HZ LYS 49 3HZ LYS 49 3.801 1.572 -6.569 387 H LYS 50 H LYS 50 -1.189 -0.438 -9.410 388 HA LYS 50 HA LYS 50 -1.768 0.995 -11.789 389 1HB LYS 50 1HB LYS 50 -3.347 -0.924 -12.236 390 2HB LYS 50 1HB LYS 50 -1.669 -1.368 -11.977 391 1HG LYS 50 1HG LYS 50 -2.440 -1.739 -9.520 392 2HG LYS 50 1HG LYS 50 -4.046 -1.825 -10.241 393 1HD LYS 50 1HD LYS 50 -2.275 -3.394 -11.818 394 2HD LYS 50 1HD LYS 50 -2.041 -3.836 -10.128 395 1HE LYS 50 1HE LYS 50 -4.539 -3.973 -11.784 396 2HE LYS 50 1HE LYS 50 -3.743 -5.259 -10.880 397 1HZ LYS 50 1HZ LYS 50 -5.255 -4.827 -9.321 398 2HZ LYS 50 2HZ LYS 50 -5.688 -3.340 -9.999 399 3HZ LYS 50 3HZ LYS 50 -4.354 -3.440 -8.965 400 H LEU 51 H LEU 51 -3.590 0.206 -8.899 401 HA LEU 51 HA LEU 51 -6.067 1.226 -9.735 402 1HB LEU 51 1HB LEU 51 -4.841 0.817 -7.020 403 2HB LEU 51 1HB LEU 51 -6.437 1.519 -7.200 404 HG LEU 51 HG LEU 51 -5.566 -1.249 -8.019 405 1HD1 LEU 51 1HD1 LEU 51 -7.897 -0.764 -6.280 406 2HD1 LEU 51 2HD1 LEU 51 -6.317 -0.410 -5.581 407 3HD1 LEU 51 3HD1 LEU 51 -6.664 -2.022 -6.206 408 1HD2 LEU 51 1HD2 LEU 51 -8.212 -1.284 -8.410 409 2HD2 LEU 51 2HD2 LEU 51 -7.057 -0.919 -9.692 410 3HD2 LEU 51 3HD2 LEU 51 -7.882 0.392 -8.849 411 H ASN 52 H ASN 52 -3.446 2.775 -7.888 412 HA ASN 52 HA ASN 52 -4.611 5.249 -7.554 413 1HB ASN 52 1HB ASN 52 -2.475 4.405 -6.531 414 2HB ASN 52 1HB ASN 52 -1.768 4.919 -8.023 415 1HD2 ASN 52 1HD2 ASN 52 -0.740 6.728 -7.793 416 2HD2 ASN 52 2HD2 ASN 52 -1.295 8.089 -6.895 417 H ASP 53 H ASP 53 -2.581 4.095 -10.134 418 HA ASP 53 HA ASP 53 -2.573 6.492 -11.634 419 1HB ASP 53 1HB ASP 53 -0.986 4.534 -11.875 420 2HB ASP 53 1HB ASP 53 -2.277 3.699 -12.735 421 H ALA 54 H ALA 54 -4.711 3.730 -11.571 422 HA ALA 54 HA ALA 54 -6.138 4.254 -13.932 423 1HB ALA 54 1HB ALA 54 -7.948 2.883 -12.557 424 2HB ALA 54 2HB ALA 54 -6.539 2.554 -11.548 425 3HB ALA 54 3HB ALA 54 -6.517 2.129 -13.260 426 H GLN 55 H GLN 55 -6.506 5.579 -10.693 427 HA GLN 55 HA GLN 55 -9.006 6.856 -11.533 428 1HB GLN 55 1HB GLN 55 -8.277 7.543 -8.832 429 2HB GLN 55 1HB GLN 55 -9.712 6.725 -9.422 430 1HG GLN 55 1HG GLN 55 -8.972 5.035 -8.164 431 2HG GLN 55 1HG GLN 55 -7.903 4.713 -9.521 432 1HE2 GLN 55 1HE2 GLN 55 -7.433 3.978 -6.877 433 2HE2 GLN 55 2HE2 GLN 55 -6.032 4.815 -6.341 434 H ALA 56 H ALA 56 -6.194 7.604 -12.348 435 HA ALA 56 HA ALA 56 -5.326 9.948 -11.172 436 1HB ALA 56 1HB ALA 56 -4.825 8.524 -13.601 437 2HB ALA 56 2HB ALA 56 -3.774 9.633 -12.721 438 3HB ALA 56 3HB ALA 56 -4.893 10.255 -13.933 439 HA PRO 57 HA PRO 57 -8.851 12.507 -12.408 440 1HB PRO 57 1HB PRO 57 -8.745 14.234 -10.382 441 2HB PRO 57 1HB PRO 57 -9.309 12.577 -10.129 442 1HG PRO 57 1HG PRO 57 -6.658 13.795 -9.490 443 2HG PRO 57 1HG PRO 57 -7.609 12.627 -8.557 444 1HD PRO 57 1HD PRO 57 -5.468 11.999 -10.223 445 2HD PRO 57 1HD PRO 57 -6.703 10.858 -9.663 446 H LYS 58 H LYS 58 -7.176 12.994 -14.201 447 HA LYS 58 HA LYS 58 -6.649 15.849 -14.118 448 1HB LYS 58 1HB LYS 58 -4.325 15.559 -14.951 449 2HB LYS 58 1HB LYS 58 -4.549 14.994 -13.302 450 1HG LYS 58 1HG LYS 58 -3.815 12.978 -13.840 451 2HG LYS 58 1HG LYS 58 -5.017 12.837 -15.125 452 1HD LYS 58 1HD LYS 58 -3.532 13.349 -16.736 453 2HD LYS 58 1HD LYS 58 -2.753 14.595 -15.757 454 1HE LYS 58 1HE LYS 58 -1.466 12.959 -14.580 455 2HE LYS 58 1HE LYS 58 -2.365 11.639 -15.326 456 1HZ LYS 58 1HZ LYS 58 -1.481 12.688 -17.508 457 2HZ LYS 58 2HZ LYS 58 -0.463 11.701 -16.586 458 3HZ LYS 58 3HZ LYS 58 -0.311 13.383 -16.503 Start of MODEL 6 1 1H VAL 1 1HT VAL 1 5.228 -13.683 7.577 2 2H VAL 1 2HT VAL 1 4.022 -13.439 8.774 3 3H VAL 1 3HT VAL 1 5.140 -14.732 8.930 4 HA VAL 1 HA VAL 1 6.833 -13.414 9.526 5 HB VAL 1 HB VAL 1 6.780 -10.918 9.172 6 1HG1 VAL 1 1HG1 VAL 1 6.959 -11.312 6.524 7 2HG1 VAL 1 2HG1 VAL 1 7.030 -12.985 7.077 8 3HG1 VAL 1 3HG1 VAL 1 8.209 -11.812 7.664 9 1HG2 VAL 1 1HG2 VAL 1 4.149 -11.278 8.605 10 2HG2 VAL 1 2HG2 VAL 1 4.838 -11.182 6.985 11 3HG2 VAL 1 3HG2 VAL 1 5.089 -9.864 8.130 12 H ASP 2 H ASP 2 7.091 -11.806 11.313 13 HA ASP 2 HA ASP 2 5.118 -12.262 13.295 14 1HB ASP 2 1HB ASP 2 7.448 -10.333 13.346 15 2HB ASP 2 1HB ASP 2 6.533 -10.886 14.745 16 H ASN 3 H ASN 3 4.769 -10.001 14.724 17 HA ASN 3 HA ASN 3 2.859 -8.573 13.113 18 1HB ASN 3 1HB ASN 3 2.418 -7.327 15.267 19 2HB ASN 3 1HB ASN 3 2.175 -9.070 15.347 20 1HD2 ASN 3 1HD2 ASN 3 2.427 -8.980 17.603 21 2HD2 ASN 3 2HD2 ASN 3 3.989 -8.827 18.326 22 H LYS 4 H LYS 4 6.122 -8.181 13.778 23 HA LYS 4 HA LYS 4 6.036 -5.285 13.363 24 1HB LYS 4 1HB LYS 4 7.535 -6.729 15.103 25 2HB LYS 4 1HB LYS 4 8.645 -6.620 13.744 26 1HG LYS 4 1HG LYS 4 7.876 -4.057 13.894 27 2HG LYS 4 1HG LYS 4 7.688 -4.527 15.585 28 1HD LYS 4 1HD LYS 4 9.941 -5.004 15.837 29 2HD LYS 4 1HD LYS 4 10.188 -5.235 14.104 30 1HE LYS 4 1HE LYS 4 9.669 -2.749 13.873 31 2HE LYS 4 1HE LYS 4 9.868 -2.661 15.622 32 1HZ LYS 4 1HZ LYS 4 12.108 -3.329 15.448 33 2HZ LYS 4 2HZ LYS 4 11.893 -2.137 14.268 34 3HZ LYS 4 3HZ LYS 4 11.945 -3.768 13.822 35 H PHE 5 H PHE 5 6.380 -4.470 11.422 36 HA PHE 5 HA PHE 5 7.027 -6.140 9.198 37 1HB PHE 5 1HB PHE 5 6.859 -3.136 9.215 38 2HB PHE 5 1HB PHE 5 6.540 -4.227 7.869 39 HD1 PHE 5 HD1 PHE 5 4.492 -5.717 8.001 40 HD2 PHE 5 HD2 PHE 5 5.170 -2.477 10.675 41 HE1 PHE 5 HE1 PHE 5 2.113 -5.724 8.605 42 HE2 PHE 5 HE2 PHE 5 2.787 -2.477 11.282 43 HZ PHE 5 HZ PHE 5 1.255 -4.103 10.247 44 H ASN 6 H ASN 6 8.520 -4.447 7.574 45 HA ASN 6 HA ASN 6 11.036 -3.927 8.952 46 1HB ASN 6 1HB ASN 6 12.267 -5.251 7.166 47 2HB ASN 6 1HB ASN 6 11.407 -6.201 8.374 48 1HD2 ASN 6 1HD2 ASN 6 11.849 -5.605 5.094 49 2HD2 ASN 6 2HD2 ASN 6 10.553 -6.572 4.486 50 H LYS 7 H LYS 7 12.721 -3.292 7.097 51 HA LYS 7 HA LYS 7 12.004 -0.819 6.154 52 1HB LYS 7 1HB LYS 7 13.944 -1.126 4.522 53 2HB LYS 7 1HB LYS 7 14.297 -1.303 6.235 54 1HG LYS 7 1HG LYS 7 13.674 -3.868 5.470 55 2HG LYS 7 1HG LYS 7 14.530 -3.228 4.067 56 1HD LYS 7 1HD LYS 7 16.497 -3.249 5.132 57 2HD LYS 7 1HD LYS 7 15.810 -2.524 6.587 58 1HE LYS 7 1HE LYS 7 16.766 -4.815 6.907 59 2HE LYS 7 1HE LYS 7 15.080 -4.642 7.393 60 1HZ LYS 7 1HZ LYS 7 14.348 -5.872 5.608 61 2HZ LYS 7 2HZ LYS 7 15.795 -6.664 5.983 62 3HZ LYS 7 3HZ LYS 7 15.735 -5.585 4.682 63 H GLU 8 H GLU 8 12.201 -3.784 4.162 64 HA GLU 8 HA GLU 8 11.330 -2.760 1.763 65 1HB GLU 8 1HB GLU 8 10.500 -5.460 2.824 66 2HB GLU 8 1HB GLU 8 10.707 -4.988 1.143 67 1HG GLU 8 1HG GLU 8 13.167 -4.465 2.304 68 2HG GLU 8 1HG GLU 8 12.646 -5.979 3.041 69 H GLN 9 H GLN 9 9.388 -3.822 4.502 70 HA GLN 9 HA GLN 9 6.883 -3.477 3.213 71 1HB GLN 9 1HB GLN 9 7.596 -4.839 5.354 72 2HB GLN 9 1HB GLN 9 7.151 -3.352 6.178 73 1HG GLN 9 1HG GLN 9 5.056 -4.059 6.167 74 2HG GLN 9 1HG GLN 9 5.058 -3.870 4.416 75 1HE2 GLN 9 1HE2 GLN 9 4.018 -5.545 3.659 76 2HE2 GLN 9 2HE2 GLN 9 4.357 -7.189 4.033 77 H GLN 10 H GLN 10 8.918 -1.437 5.227 78 HA GLN 10 HA GLN 10 6.938 0.627 5.469 79 1HB GLN 10 1HB GLN 10 9.853 0.464 6.213 80 2HB GLN 10 1HB GLN 10 8.908 1.933 6.417 81 1HG GLN 10 1HG GLN 10 7.744 -0.513 7.570 82 2HG GLN 10 1HG GLN 10 9.221 0.075 8.327 83 1HE2 GLN 10 1HE2 GLN 10 6.645 -0.053 9.490 84 2HE2 GLN 10 2HE2 GLN 10 6.173 1.558 9.875 85 H ASN 11 H ASN 11 9.350 -0.242 3.147 86 HA ASN 11 HA ASN 11 9.602 2.407 2.031 87 1HB ASN 11 1HB ASN 11 11.208 0.297 1.800 88 2HB ASN 11 1HB ASN 11 10.155 -0.074 0.441 89 1HD2 ASN 11 1HD2 ASN 11 11.958 0.183 -0.908 90 2HD2 ASN 11 2HD2 ASN 11 12.498 1.754 -1.365 91 H ALA 12 H ALA 12 7.773 -0.542 1.471 92 HA ALA 12 HA ALA 12 6.369 0.374 -0.821 93 1HB ALA 12 1HB ALA 12 5.723 -1.782 1.190 94 2HB ALA 12 2HB ALA 12 6.485 -1.989 -0.387 95 3HB ALA 12 3HB ALA 12 4.796 -1.492 -0.282 96 H PHE 13 H PHE 13 5.790 0.414 2.655 97 HA PHE 13 HA PHE 13 3.188 1.396 2.672 98 1HB PHE 13 1HB PHE 13 4.571 0.518 4.621 99 2HB PHE 13 1HB PHE 13 5.285 2.128 4.695 100 HD1 PHE 13 HD1 PHE 13 2.713 0.086 5.868 101 HD2 PHE 13 HD2 PHE 13 3.572 4.084 4.735 102 HE1 PHE 13 HE1 PHE 13 0.790 0.863 7.195 103 HE2 PHE 13 HE2 PHE 13 1.652 4.880 6.059 104 HZ PHE 13 HZ PHE 13 0.257 3.268 7.292 105 H TYR 14 H TYR 14 6.262 3.127 2.747 106 HA TYR 14 HA TYR 14 5.148 5.725 2.777 107 1HB TYR 14 1HB TYR 14 7.817 4.871 1.625 108 2HB TYR 14 1HB TYR 14 7.362 6.502 2.107 109 HD1 TYR 14 HD1 TYR 14 5.900 5.558 4.690 110 HD2 TYR 14 HD2 TYR 14 9.744 4.754 3.053 111 HE1 TYR 14 HE1 TYR 14 6.767 5.131 6.951 112 HE2 TYR 14 HE2 TYR 14 10.621 4.323 5.310 113 HH TYR 14 HH TYR 14 10.119 4.825 7.608 114 H GLU 15 H GLU 15 6.057 3.520 0.175 115 HA GLU 15 HA GLU 15 5.736 5.255 -1.991 116 1HB GLU 15 1HB GLU 15 5.348 2.282 -1.702 117 2HB GLU 15 1HB GLU 15 5.084 3.097 -3.237 118 1HG GLU 15 1HG GLU 15 7.627 3.792 -2.012 119 2HG GLU 15 1HG GLU 15 7.461 2.066 -2.332 120 H ILE 16 H ILE 16 3.410 3.328 -0.195 121 HA ILE 16 HA ILE 16 1.157 3.973 -1.801 122 HB ILE 16 HB ILE 16 1.706 2.543 0.718 123 1HG1 ILE 16 1HG1 ILE 16 -0.450 1.737 -1.152 124 2HG1 ILE 16 1HG1 ILE 16 1.184 1.777 -1.806 125 1HG2 ILE 16 1HG2 ILE 16 0.034 3.798 1.727 126 2HG2 ILE 16 2HG2 ILE 16 -0.852 2.404 1.106 127 3HG2 ILE 16 3HG2 ILE 16 -0.901 3.937 0.236 128 1HD1 ILE 16 1HD1 ILE 16 -0.030 -0.048 0.155 129 2HD1 ILE 16 2HD1 ILE 16 1.639 0.430 0.465 130 3HD1 ILE 16 3HD1 ILE 16 1.211 -0.342 -1.062 131 H LEU 17 H LEU 17 2.524 5.205 1.210 132 HA LEU 17 HA LEU 17 0.455 7.004 1.848 133 1HB LEU 17 1HB LEU 17 3.244 6.555 2.685 134 2HB LEU 17 1HB LEU 17 2.657 8.191 2.911 135 HG LEU 17 HG LEU 17 1.500 5.672 4.100 136 1HD1 LEU 17 1HD1 LEU 17 3.204 6.175 5.515 137 2HD1 LEU 17 2HD1 LEU 17 1.980 7.261 6.174 138 3HD1 LEU 17 3HD1 LEU 17 3.213 7.884 5.078 139 1HD2 LEU 17 1HD2 LEU 17 0.164 7.644 5.327 140 2HD2 LEU 17 2HD2 LEU 17 -0.445 6.809 3.899 141 3HD2 LEU 17 3HD2 LEU 17 0.356 8.371 3.732 142 H HIS 18 H HIS 18 2.780 7.073 -0.640 143 HA HIS 18 HA HIS 18 2.618 9.986 -0.886 144 1HB HIS 18 1HB HIS 18 4.835 8.782 -0.883 145 2HB HIS 18 1HB HIS 18 4.397 8.133 -2.459 146 HD1 HIS 18 HD1 HIS 18 4.258 11.661 -1.013 147 HD2 HIS 18 HD2 HIS 18 5.693 9.592 -4.318 148 HE1 HIS 18 HE1 HIS 18 5.301 13.403 -2.496 149 HE2 HIS 18 HE2 HIS 18 6.081 12.140 -4.531 150 H LEU 19 H LEU 19 0.756 7.542 -2.051 151 HA LEU 19 HA LEU 19 0.767 8.186 -4.828 152 1HB LEU 19 1HB LEU 19 -1.710 7.060 -3.639 153 2HB LEU 19 1HB LEU 19 -0.901 6.662 -5.120 154 HG LEU 19 HG LEU 19 0.641 5.887 -2.795 155 1HD1 LEU 19 1HD1 LEU 19 -1.626 5.577 -1.869 156 2HD1 LEU 19 2HD1 LEU 19 -0.781 4.048 -2.108 157 3HD1 LEU 19 3HD1 LEU 19 -2.024 4.555 -3.250 158 1HD2 LEU 19 1HD2 LEU 19 -0.153 4.834 -5.436 159 2HD2 LEU 19 2HD2 LEU 19 0.258 3.652 -4.194 160 3HD2 LEU 19 3HD2 LEU 19 1.431 4.883 -4.663 161 HA PRO 20 HA PRO 20 -1.401 12.060 -4.136 162 1HB PRO 20 1HB PRO 20 -1.150 13.044 -6.621 163 2HB PRO 20 1HB PRO 20 0.211 12.966 -5.495 164 1HG PRO 20 1HG PRO 20 -0.495 11.115 -7.743 165 2HG PRO 20 1HG PRO 20 1.088 11.783 -7.300 166 1HD PRO 20 1HD PRO 20 0.285 9.271 -6.618 167 2HD PRO 20 1HD PRO 20 1.419 10.227 -5.643 168 H ASN 21 H ASN 21 -2.248 9.848 -6.776 169 HA ASN 21 HA ASN 21 -4.900 11.087 -6.881 170 1HB ASN 21 1HB ASN 21 -5.082 9.509 -8.974 171 2HB ASN 21 1HB ASN 21 -4.216 11.032 -9.085 172 1HD2 ASN 21 1HD2 ASN 21 -3.905 8.914 -10.811 173 2HD2 ASN 21 2HD2 ASN 21 -2.306 8.310 -10.649 174 H LEU 22 H LEU 22 -4.092 9.418 -4.750 175 HA LEU 22 HA LEU 22 -5.663 6.967 -5.161 176 1HB LEU 22 1HB LEU 22 -3.672 6.249 -4.305 177 2HB LEU 22 1HB LEU 22 -3.379 7.746 -3.451 178 HG LEU 22 HG LEU 22 -5.537 6.539 -2.113 179 1HD1 LEU 22 1HD1 LEU 22 -5.345 4.343 -2.312 180 2HD1 LEU 22 2HD1 LEU 22 -3.691 4.440 -1.708 181 3HD1 LEU 22 3HD1 LEU 22 -4.004 4.541 -3.441 182 1HD2 LEU 22 1HD2 LEU 22 -4.196 7.577 -0.650 183 2HD2 LEU 22 2HD2 LEU 22 -2.755 7.309 -1.629 184 3HD2 LEU 22 3HD2 LEU 22 -3.351 6.032 -0.570 185 H ASN 23 H ASN 23 -7.308 6.385 -3.734 186 HA ASN 23 HA ASN 23 -8.484 8.649 -2.275 187 1HB ASN 23 1HB ASN 23 -9.756 6.069 -3.223 188 2HB ASN 23 1HB ASN 23 -10.597 7.363 -2.376 189 1HD2 ASN 23 1HD2 ASN 23 -11.158 6.273 -4.963 190 2HD2 ASN 23 2HD2 ASN 23 -11.012 7.568 -6.092 191 H GLU 24 H GLU 24 -8.905 8.549 -0.114 192 HA GLU 24 HA GLU 24 -7.382 7.071 1.586 193 1HB GLU 24 1HB GLU 24 -9.080 7.600 3.344 194 2HB GLU 24 1HB GLU 24 -8.569 8.985 2.388 195 1HG GLU 24 1HG GLU 24 -10.832 7.824 1.127 196 2HG GLU 24 1HG GLU 24 -11.188 8.015 2.843 197 H GLU 25 H GLU 25 -10.448 6.133 0.166 198 HA GLU 25 HA GLU 25 -11.134 3.994 1.786 199 1HB GLU 25 1HB GLU 25 -12.276 5.077 -0.347 200 2HB GLU 25 1HB GLU 25 -11.504 3.721 -1.157 201 1HG GLU 25 1HG GLU 25 -13.545 2.827 -0.668 202 2HG GLU 25 1HG GLU 25 -12.621 2.327 0.747 203 H GLN 26 H GLN 26 -9.299 3.849 -1.254 204 HA GLN 26 HA GLN 26 -8.574 1.129 -0.922 205 1HB GLN 26 1HB GLN 26 -8.052 3.269 -2.855 206 2HB GLN 26 1HB GLN 26 -6.706 2.153 -2.664 207 1HG GLN 26 1HG GLN 26 -7.720 0.708 -3.983 208 2HG GLN 26 1HG GLN 26 -9.061 0.608 -2.845 209 1HE2 GLN 26 1HE2 GLN 26 -7.850 2.179 -5.718 210 2HE2 GLN 26 2HE2 GLN 26 -9.374 2.772 -6.275 211 H ARG 27 H ARG 27 -7.071 4.175 -0.074 212 HA ARG 27 HA ARG 27 -4.508 3.150 0.509 213 1HB ARG 27 1HB ARG 27 -5.079 5.577 0.206 214 2HB ARG 27 1HB ARG 27 -5.801 5.548 1.803 215 1HG ARG 27 1HG ARG 27 -3.701 5.062 2.830 216 2HG ARG 27 1HG ARG 27 -2.932 4.831 1.260 217 1HD ARG 27 1HD ARG 27 -2.404 6.986 1.217 218 2HD ARG 27 1HD ARG 27 -4.118 7.399 1.249 219 HE ARG 27 HE ARG 27 -2.260 7.494 3.455 220 1HH1 ARG 27 1HH1 ARG 27 -5.619 7.400 2.503 221 2HH1 ARG 27 2HH1 ARG 27 -6.185 8.098 3.983 222 1HH2 ARG 27 1HH2 ARG 27 -3.007 8.413 5.399 223 2HH2 ARG 27 2HH2 ARG 27 -4.705 8.672 5.625 224 H ASN 28 H ASN 28 -7.482 3.345 2.406 225 HA ASN 28 HA ASN 28 -6.155 2.600 4.842 226 1HB ASN 28 1HB ASN 28 -8.315 2.551 5.852 227 2HB ASN 28 1HB ASN 28 -8.300 3.918 4.752 228 1HD2 ASN 28 1HD2 ASN 28 -10.137 4.169 3.759 229 2HD2 ASN 28 2HD2 ASN 28 -11.199 2.910 3.236 230 H ALA 29 H ALA 29 -8.278 1.008 2.504 231 HA ALA 29 HA ALA 29 -8.307 -1.530 3.691 232 1HB ALA 29 1HB ALA 29 -9.870 -1.461 2.046 233 2HB ALA 29 2HB ALA 29 -8.567 -2.192 1.109 234 3HB ALA 29 3HB ALA 29 -8.874 -0.459 0.990 235 H PHE 30 H PHE 30 -6.006 0.013 1.568 236 HA PHE 30 HA PHE 30 -4.428 -2.304 1.081 237 1HB PHE 30 1HB PHE 30 -4.133 0.616 0.570 238 2HB PHE 30 1HB PHE 30 -2.711 -0.410 0.463 239 HD1 PHE 30 HD1 PHE 30 -4.623 1.213 -1.621 240 HD2 PHE 30 HD2 PHE 30 -3.836 -2.861 -0.684 241 HE1 PHE 30 HE1 PHE 30 -5.258 0.563 -3.910 242 HE2 PHE 30 HE2 PHE 30 -4.466 -3.517 -2.965 243 HZ PHE 30 HZ PHE 30 -5.174 -1.808 -4.583 244 H ILE 31 H ILE 31 -3.830 0.604 3.056 245 HA ILE 31 HA ILE 31 -1.460 -0.273 4.238 246 HB ILE 31 HB ILE 31 -3.590 1.539 5.380 247 1HG1 ILE 31 1HG1 ILE 31 -0.930 2.337 4.217 248 2HG1 ILE 31 1HG1 ILE 31 -2.357 2.144 3.203 249 1HG2 ILE 31 1HG2 ILE 31 -2.470 1.188 7.305 250 2HG2 ILE 31 2HG2 ILE 31 -1.321 2.325 6.600 251 3HG2 ILE 31 3HG2 ILE 31 -1.030 0.590 6.481 252 1HD1 ILE 31 1HD1 ILE 31 -2.047 4.054 5.507 253 2HD1 ILE 31 2HD1 ILE 31 -3.515 3.837 4.554 254 3HD1 ILE 31 3HD1 ILE 31 -2.052 4.460 3.791 255 H GLN 32 H GLN 32 -4.819 -0.605 5.358 256 HA GLN 32 HA GLN 32 -4.273 -1.988 7.731 257 1HB GLN 32 1HB GLN 32 -6.491 -0.968 6.909 258 2HB GLN 32 1HB GLN 32 -6.719 -2.481 6.042 259 1HG GLN 32 1HG GLN 32 -7.900 -2.667 8.075 260 2HG GLN 32 1HG GLN 32 -6.456 -3.665 8.233 261 1HE2 GLN 32 1HE2 GLN 32 -7.968 -2.716 10.391 262 2HE2 GLN 32 2HE2 GLN 32 -6.987 -1.627 11.304 263 H SER 33 H SER 33 -5.229 -3.253 4.540 264 HA SER 33 HA SER 33 -5.034 -5.960 5.108 265 1HB SER 33 1HB SER 33 -5.985 -5.030 3.013 266 2HB SER 33 1HB SER 33 -4.355 -4.620 2.482 267 HG SER 33 HG SER 33 -5.052 -6.623 1.628 268 H LEU 34 H LEU 34 -2.572 -3.653 4.223 269 HA LEU 34 HA LEU 34 -0.436 -5.431 3.793 270 1HB LEU 34 1HB LEU 34 -0.789 -2.788 3.445 271 2HB LEU 34 1HB LEU 34 0.105 -2.751 4.949 272 HG LEU 34 HG LEU 34 1.459 -2.496 2.834 273 1HD1 LEU 34 1HD1 LEU 34 3.306 -3.604 3.734 274 2HD1 LEU 34 2HD1 LEU 34 2.312 -4.870 4.453 275 3HD1 LEU 34 3HD1 LEU 34 2.285 -3.239 5.125 276 1HD2 LEU 34 1HD2 LEU 34 1.575 -4.099 1.273 277 2HD2 LEU 34 2HD2 LEU 34 0.048 -4.653 1.961 278 3HD2 LEU 34 3HD2 LEU 34 1.565 -5.398 2.465 279 H LYS 35 H LYS 35 -1.598 -3.734 6.660 280 HA LYS 35 HA LYS 35 0.496 -4.649 8.354 281 1HB LYS 35 1HB LYS 35 -2.216 -3.475 8.981 282 2HB LYS 35 1HB LYS 35 -0.984 -3.815 10.189 283 1HG LYS 35 1HG LYS 35 0.289 -2.286 8.221 284 2HG LYS 35 1HG LYS 35 -1.284 -1.530 8.482 285 1HD LYS 35 1HD LYS 35 -0.854 -1.379 10.860 286 2HD LYS 35 1HD LYS 35 0.673 -2.241 10.666 287 1HE LYS 35 1HE LYS 35 0.305 0.186 9.019 288 2HE LYS 35 1HE LYS 35 0.488 0.435 10.755 289 1HZ LYS 35 1HZ LYS 35 2.589 -0.564 10.742 290 2HZ LYS 35 2HZ LYS 35 2.588 0.427 9.371 291 3HZ LYS 35 3HZ LYS 35 2.371 -1.243 9.207 292 H ASP 36 H ASP 36 -2.554 -5.936 7.330 293 HA ASP 36 HA ASP 36 -2.805 -7.845 9.450 294 1HB ASP 36 1HB ASP 36 -4.179 -7.411 6.817 295 2HB ASP 36 1HB ASP 36 -4.447 -8.901 7.717 296 H ASP 37 H ASP 37 -2.082 -8.193 5.972 297 HA ASP 37 HA ASP 37 -0.513 -10.602 6.623 298 1HB ASP 37 1HB ASP 37 -2.703 -10.920 5.314 299 2HB ASP 37 1HB ASP 37 -1.866 -10.145 3.972 300 HA PRO 38 HA PRO 38 2.439 -7.531 4.877 301 1HB PRO 38 1HB PRO 38 4.352 -9.151 6.420 302 2HB PRO 38 1HB PRO 38 4.053 -7.413 6.473 303 1HG PRO 38 1HG PRO 38 3.304 -9.030 8.478 304 2HG PRO 38 1HG PRO 38 2.343 -7.615 8.008 305 1HD PRO 38 1HD PRO 38 1.898 -10.507 7.369 306 2HD PRO 38 1HD PRO 38 0.718 -9.260 7.829 307 H SER 39 H SER 39 2.451 -11.025 4.959 308 HA SER 39 HA SER 39 4.666 -11.544 3.345 309 1HB SER 39 1HB SER 39 3.384 -13.242 4.653 310 2HB SER 39 1HB SER 39 2.109 -13.155 3.438 311 HG SER 39 HG SER 39 3.848 -14.844 3.245 312 H GLN 40 H GLN 40 1.684 -10.103 2.474 313 HA GLN 40 HA GLN 40 2.288 -10.591 -0.371 314 1HB GLN 40 1HB GLN 40 -0.381 -10.191 0.978 315 2HB GLN 40 1HB GLN 40 -0.159 -10.165 -0.766 316 1HG GLN 40 1HG GLN 40 0.809 -12.515 0.784 317 2HG GLN 40 1HG GLN 40 -0.915 -12.343 0.460 318 1HE2 GLN 40 1HE2 GLN 40 1.984 -13.501 -0.698 319 2HE2 GLN 40 2HE2 GLN 40 1.535 -13.750 -2.347 320 H SER 41 H SER 41 3.553 -8.521 0.971 321 HA SER 41 HA SER 41 2.156 -6.068 0.701 322 1HB SER 41 1HB SER 41 4.508 -6.870 1.925 323 2HB SER 41 1HB SER 41 5.061 -5.818 0.623 324 HG SER 41 HG SER 41 3.857 -4.162 1.452 325 H ALA 42 H ALA 42 5.001 -7.272 -1.127 326 HA ALA 42 HA ALA 42 5.114 -5.382 -3.095 327 1HB ALA 42 1HB ALA 42 6.457 -6.813 -4.265 328 2HB ALA 42 2HB ALA 42 5.416 -8.207 -3.973 329 3HB ALA 42 3HB ALA 42 6.476 -7.614 -2.694 330 H ASN 43 H ASN 43 2.755 -7.958 -2.829 331 HA ASN 43 HA ASN 43 1.671 -7.558 -5.450 332 1HB ASN 43 1HB ASN 43 1.050 -9.229 -3.095 333 2HB ASN 43 1HB ASN 43 -0.340 -8.782 -4.079 334 1HD2 ASN 43 1HD2 ASN 43 2.030 -11.022 -3.654 335 2HD2 ASN 43 2HD2 ASN 43 2.034 -11.737 -5.227 336 H LEU 44 H LEU 44 0.911 -6.504 -2.189 337 HA LEU 44 HA LEU 44 -1.491 -5.129 -2.816 338 1HB LEU 44 1HB LEU 44 -0.970 -5.907 -0.563 339 2HB LEU 44 1HB LEU 44 0.406 -4.828 -0.492 340 HG LEU 44 HG LEU 44 -2.028 -3.376 -1.090 341 1HD1 LEU 44 1HD1 LEU 44 -1.966 -5.063 1.403 342 2HD1 LEU 44 2HD1 LEU 44 -3.202 -5.038 0.145 343 3HD1 LEU 44 3HD1 LEU 44 -2.993 -3.644 1.204 344 1HD2 LEU 44 1HD2 LEU 44 -0.716 -2.887 1.463 345 2HD2 LEU 44 2HD2 LEU 44 -0.972 -1.806 0.093 346 3HD2 LEU 44 3HD2 LEU 44 0.405 -2.907 0.101 347 H LEU 45 H LEU 45 1.834 -4.394 -3.066 348 HA LEU 45 HA LEU 45 1.588 -1.528 -3.129 349 1HB LEU 45 1HB LEU 45 3.666 -3.151 -2.669 350 2HB LEU 45 1HB LEU 45 3.880 -2.951 -4.388 351 HG LEU 45 HG LEU 45 4.146 -0.574 -4.167 352 1HD1 LEU 45 1HD1 LEU 45 3.187 -1.073 -1.392 353 2HD1 LEU 45 2HD1 LEU 45 2.744 0.201 -2.528 354 3HD1 LEU 45 3HD1 LEU 45 4.294 0.267 -1.688 355 1HD2 LEU 45 1HD2 LEU 45 6.179 -1.742 -3.875 356 2HD2 LEU 45 2HD2 LEU 45 5.767 -2.196 -2.222 357 3HD2 LEU 45 3HD2 LEU 45 6.134 -0.515 -2.608 358 H ALA 46 H ALA 46 2.461 -4.028 -5.433 359 HA ALA 46 HA ALA 46 2.295 -2.479 -7.761 360 1HB ALA 46 1HB ALA 46 1.697 -5.428 -7.477 361 2HB ALA 46 2HB ALA 46 3.303 -4.727 -7.678 362 3HB ALA 46 3HB ALA 46 2.111 -4.583 -8.970 363 H GLU 47 H GLU 47 -0.147 -3.988 -5.798 364 HA GLU 47 HA GLU 47 -2.266 -3.713 -7.720 365 1HB GLU 47 1HB GLU 47 -2.017 -4.593 -4.911 366 2HB GLU 47 1HB GLU 47 -3.575 -3.904 -5.351 367 1HG GLU 47 1HG GLU 47 -3.870 -5.533 -7.084 368 2HG GLU 47 1HG GLU 47 -2.239 -6.154 -6.837 369 H ALA 48 H ALA 48 -1.338 -1.942 -4.796 370 HA ALA 48 HA ALA 48 -3.357 0.028 -5.034 371 1HB ALA 48 1HB ALA 48 -2.466 0.961 -3.157 372 2HB ALA 48 2HB ALA 48 -0.804 0.726 -3.697 373 3HB ALA 48 3HB ALA 48 -1.717 -0.631 -3.038 374 H LYS 49 H LYS 49 -0.283 -0.449 -6.516 375 HA LYS 49 HA LYS 49 0.088 2.243 -7.379 376 1HB LYS 49 1HB LYS 49 1.976 0.674 -7.099 377 2HB LYS 49 1HB LYS 49 1.310 -0.340 -8.368 378 1HG LYS 49 1HG LYS 49 1.571 2.295 -9.396 379 2HG LYS 49 1HG LYS 49 3.086 1.854 -8.605 380 1HD LYS 49 1HD LYS 49 3.519 0.158 -10.075 381 2HD LYS 49 1HD LYS 49 1.810 -0.159 -10.379 382 1HE LYS 49 1HE LYS 49 2.695 2.480 -11.269 383 2HE LYS 49 1HE LYS 49 3.520 1.148 -12.077 384 1HZ LYS 49 1HZ LYS 49 1.717 1.266 -13.402 385 2HZ LYS 49 2HZ LYS 49 0.731 1.961 -12.217 386 3HZ LYS 49 3HZ LYS 49 1.018 0.295 -12.206 387 H LYS 50 H LYS 50 -1.058 -0.782 -8.848 388 HA LYS 50 HA LYS 50 -1.589 0.308 -11.406 389 1HB LYS 50 1HB LYS 50 -2.341 -2.175 -9.935 390 2HB LYS 50 1HB LYS 50 -3.287 -1.745 -11.353 391 1HG LYS 50 1HG LYS 50 -1.623 -2.246 -12.782 392 2HG LYS 50 1HG LYS 50 -0.366 -1.648 -11.697 393 1HD LYS 50 1HD LYS 50 0.060 -3.911 -11.672 394 2HD LYS 50 1HD LYS 50 -1.008 -3.749 -10.277 395 1HE LYS 50 1HE LYS 50 -1.820 -5.608 -11.466 396 2HE LYS 50 1HE LYS 50 -2.916 -4.286 -11.866 397 1HZ LYS 50 1HZ LYS 50 -1.003 -5.690 -13.556 398 2HZ LYS 50 2HZ LYS 50 -1.168 -4.029 -13.827 399 3HZ LYS 50 3HZ LYS 50 -2.518 -5.042 -13.942 400 H LEU 51 H LEU 51 -3.452 -0.028 -8.452 401 HA LEU 51 HA LEU 51 -5.915 0.815 -9.561 402 1HB LEU 51 1HB LEU 51 -4.885 0.696 -6.736 403 2HB LEU 51 1HB LEU 51 -6.494 1.279 -7.119 404 HG LEU 51 HG LEU 51 -5.399 -1.499 -7.492 405 1HD1 LEU 51 1HD1 LEU 51 -6.744 -2.108 -5.786 406 2HD1 LEU 51 2HD1 LEU 51 -8.004 -0.954 -6.222 407 3HD1 LEU 51 3HD1 LEU 51 -6.578 -0.411 -5.339 408 1HD2 LEU 51 1HD2 LEU 51 -7.632 -0.140 -8.880 409 2HD2 LEU 51 2HD2 LEU 51 -7.934 -1.773 -8.285 410 3HD2 LEU 51 3HD2 LEU 51 -6.609 -1.475 -9.410 411 H ASN 52 H ASN 52 -3.417 2.524 -7.686 412 HA ASN 52 HA ASN 52 -4.598 5.010 -7.599 413 1HB ASN 52 1HB ASN 52 -2.514 4.267 -6.427 414 2HB ASN 52 1HB ASN 52 -1.738 4.649 -7.921 415 1HD2 ASN 52 1HD2 ASN 52 -0.721 6.474 -7.823 416 2HD2 ASN 52 2HD2 ASN 52 -1.302 7.905 -7.060 417 H ASP 53 H ASP 53 -2.547 3.615 -10.027 418 HA ASP 53 HA ASP 53 -2.492 5.920 -11.702 419 1HB ASP 53 1HB ASP 53 -0.818 4.025 -11.707 420 2HB ASP 53 1HB ASP 53 -2.034 3.057 -12.537 421 H ALA 54 H ALA 54 -4.520 3.083 -11.489 422 HA ALA 54 HA ALA 54 -5.864 3.339 -13.942 423 1HB ALA 54 1HB ALA 54 -7.682 2.029 -12.515 424 2HB ALA 54 2HB ALA 54 -6.303 1.842 -11.432 425 3HB ALA 54 3HB ALA 54 -6.201 1.269 -13.096 426 H GLN 55 H GLN 55 -6.407 4.936 -10.855 427 HA GLN 55 HA GLN 55 -8.904 6.050 -11.909 428 1HB GLN 55 1HB GLN 55 -8.327 7.007 -9.258 429 2HB GLN 55 1HB GLN 55 -9.701 6.078 -9.828 430 1HG GLN 55 1HG GLN 55 -8.952 4.565 -8.359 431 2HG GLN 55 1HG GLN 55 -7.840 4.133 -9.651 432 1HE2 GLN 55 1HE2 GLN 55 -7.459 3.737 -6.894 433 2HE2 GLN 55 2HE2 GLN 55 -6.082 4.653 -6.432 434 H ALA 56 H ALA 56 -6.093 6.790 -12.687 435 HA ALA 56 HA ALA 56 -5.594 9.401 -11.671 436 1HB ALA 56 1HB ALA 56 -4.527 8.541 -14.313 437 2HB ALA 56 2HB ALA 56 -4.008 7.681 -12.863 438 3HB ALA 56 3HB ALA 56 -3.733 9.417 -13.005 439 HA PRO 57 HA PRO 57 -7.867 12.206 -14.171 440 1HB PRO 57 1HB PRO 57 -5.410 13.186 -15.518 441 2HB PRO 57 1HB PRO 57 -6.613 14.079 -14.582 442 1HG PRO 57 1HG PRO 57 -4.203 13.553 -13.565 443 2HG PRO 57 1HG PRO 57 -5.657 13.499 -12.551 444 1HD PRO 57 1HD PRO 57 -4.080 11.247 -13.729 445 2HD PRO 57 1HD PRO 57 -4.854 11.369 -12.135 446 H LYS 58 H LYS 58 -8.999 12.064 -16.016 447 HA LYS 58 HA LYS 58 -8.051 10.253 -18.078 448 1HB LYS 58 1HB LYS 58 -10.330 10.421 -18.975 449 2HB LYS 58 1HB LYS 58 -10.340 10.002 -17.267 450 1HG LYS 58 1HG LYS 58 -10.502 12.709 -17.146 451 2HG LYS 58 1HG LYS 58 -11.381 12.373 -18.638 452 1HD LYS 58 1HD LYS 58 -13.125 11.510 -17.534 453 2HD LYS 58 1HD LYS 58 -12.085 10.545 -16.483 454 1HE LYS 58 1HE LYS 58 -13.284 12.064 -15.096 455 2HE LYS 58 1HE LYS 58 -11.617 12.631 -15.180 456 1HZ LYS 58 1HZ LYS 58 -14.046 13.858 -16.192 457 2HZ LYS 58 2HZ LYS 58 -12.696 13.973 -17.205 458 3HZ LYS 58 3HZ LYS 58 -12.623 14.577 -15.627 Start of MODEL 7 1 1H VAL 1 1HT VAL 1 10.971 -8.699 19.922 2 2H VAL 1 2HT VAL 1 12.455 -8.632 20.783 3 3H VAL 1 3HT VAL 1 12.136 -9.939 19.716 4 HA VAL 1 HA VAL 1 12.728 -7.140 19.103 5 HB VAL 1 HB VAL 1 13.831 -9.696 17.935 6 1HG1 VAL 1 1HG1 VAL 1 15.641 -8.240 17.153 7 2HG1 VAL 1 2HG1 VAL 1 14.816 -6.846 17.849 8 3HG1 VAL 1 3HG1 VAL 1 14.076 -7.733 16.517 9 1HG2 VAL 1 1HG2 VAL 1 14.251 -9.431 20.409 10 2HG2 VAL 1 2HG2 VAL 1 15.169 -7.978 20.013 11 3HG2 VAL 1 3HG2 VAL 1 15.691 -9.547 19.397 12 H ASP 2 H ASP 2 10.646 -9.723 18.242 13 HA ASP 2 HA ASP 2 10.430 -9.274 15.477 14 1HB ASP 2 1HB ASP 2 8.143 -10.327 15.747 15 2HB ASP 2 1HB ASP 2 9.489 -11.281 16.365 16 H ASN 3 H ASN 3 9.127 -7.916 14.278 17 HA ASN 3 HA ASN 3 7.543 -5.930 15.766 18 1HB ASN 3 1HB ASN 3 9.551 -5.424 13.571 19 2HB ASN 3 1HB ASN 3 8.339 -4.239 14.051 20 1HD2 ASN 3 1HD2 ASN 3 11.448 -5.040 14.418 21 2HD2 ASN 3 2HD2 ASN 3 11.758 -4.385 15.986 22 H LYS 4 H LYS 4 6.122 -4.631 14.247 23 HA LYS 4 HA LYS 4 4.247 -6.261 13.065 24 1HB LYS 4 1HB LYS 4 4.754 -3.403 13.220 25 2HB LYS 4 1HB LYS 4 3.983 -3.848 11.704 26 1HG LYS 4 1HG LYS 4 2.261 -3.311 13.234 27 2HG LYS 4 1HG LYS 4 2.255 -5.066 13.048 28 1HD LYS 4 1HD LYS 4 3.781 -5.070 15.126 29 2HD LYS 4 1HD LYS 4 3.211 -3.417 15.363 30 1HE LYS 4 1HE LYS 4 0.853 -4.466 15.094 31 2HE LYS 4 1HE LYS 4 1.674 -5.984 15.453 32 1HZ LYS 4 1HZ LYS 4 1.034 -5.276 17.526 33 2HZ LYS 4 2HZ LYS 4 1.275 -3.638 17.180 34 3HZ LYS 4 3HZ LYS 4 2.604 -4.649 17.450 35 H PHE 5 H PHE 5 5.808 -3.900 10.943 36 HA PHE 5 HA PHE 5 5.938 -5.972 8.877 37 1HB PHE 5 1HB PHE 5 6.128 -2.984 8.533 38 2HB PHE 5 1HB PHE 5 5.829 -4.184 7.280 39 HD1 PHE 5 HD1 PHE 5 4.261 -1.621 8.427 40 HD2 PHE 5 HD2 PHE 5 3.760 -5.843 8.631 41 HE1 PHE 5 HE1 PHE 5 1.842 -1.316 8.750 42 HE2 PHE 5 HE2 PHE 5 1.344 -5.545 8.956 43 HZ PHE 5 HZ PHE 5 0.380 -3.278 9.013 44 H ASN 6 H ASN 6 7.694 -5.044 7.118 45 HA ASN 6 HA ASN 6 10.230 -4.692 8.573 46 1HB ASN 6 1HB ASN 6 9.451 -6.789 6.614 47 2HB ASN 6 1HB ASN 6 11.081 -6.136 6.480 48 1HD2 ASN 6 1HD2 ASN 6 12.242 -5.989 8.651 49 2HD2 ASN 6 2HD2 ASN 6 12.106 -7.374 9.674 50 H LYS 7 H LYS 7 12.007 -4.387 6.653 51 HA LYS 7 HA LYS 7 11.718 -1.796 5.761 52 1HB LYS 7 1HB LYS 7 13.597 -2.341 4.173 53 2HB LYS 7 1HB LYS 7 13.895 -2.733 5.861 54 1HG LYS 7 1HG LYS 7 12.922 -5.085 5.040 55 2HG LYS 7 1HG LYS 7 13.606 -4.506 3.520 56 1HD LYS 7 1HD LYS 7 15.577 -5.257 4.243 57 2HD LYS 7 1HD LYS 7 15.558 -3.938 5.414 58 1HE LYS 7 1HE LYS 7 14.134 -6.487 6.035 59 2HE LYS 7 1HE LYS 7 15.887 -6.406 6.207 60 1HZ LYS 7 1HZ LYS 7 13.805 -4.991 7.718 61 2HZ LYS 7 2HZ LYS 7 15.320 -4.261 7.539 62 3HZ LYS 7 3HZ LYS 7 15.194 -5.776 8.280 63 H GLU 8 H GLU 8 11.372 -4.742 3.764 64 HA GLU 8 HA GLU 8 10.637 -3.452 1.401 65 1HB GLU 8 1HB GLU 8 9.709 -6.176 2.317 66 2HB GLU 8 1HB GLU 8 9.787 -5.592 0.661 67 1HG GLU 8 1HG GLU 8 12.023 -5.895 0.505 68 2HG GLU 8 1HG GLU 8 12.302 -5.550 2.211 69 H GLN 9 H GLN 9 8.524 -4.980 3.818 70 HA GLN 9 HA GLN 9 6.092 -4.208 2.665 71 1HB GLN 9 1HB GLN 9 6.574 -5.928 4.514 72 2HB GLN 9 1HB GLN 9 6.495 -4.566 5.619 73 1HG GLN 9 1HG GLN 9 4.239 -4.255 5.289 74 2HG GLN 9 1HG GLN 9 4.259 -5.037 3.711 75 1HE2 GLN 9 1HE2 GLN 9 3.410 -6.948 3.620 76 2HE2 GLN 9 2HE2 GLN 9 3.243 -8.052 4.929 77 H GLN 10 H GLN 10 8.217 -2.539 4.924 78 HA GLN 10 HA GLN 10 6.334 -0.428 5.421 79 1HB GLN 10 1HB GLN 10 9.210 -0.872 6.184 80 2HB GLN 10 1HB GLN 10 8.387 0.644 6.523 81 1HG GLN 10 1HG GLN 10 6.604 -0.966 7.607 82 2HG GLN 10 1HG GLN 10 7.994 -2.040 7.727 83 1HE2 GLN 10 1HE2 GLN 10 6.445 -0.765 9.808 84 2HE2 GLN 10 2HE2 GLN 10 7.558 0.175 10.728 85 H ASN 11 H ASN 11 8.855 -1.069 3.110 86 HA ASN 11 HA ASN 11 9.150 1.688 2.309 87 1HB ASN 11 1HB ASN 11 10.231 -0.930 1.458 88 2HB ASN 11 1HB ASN 11 9.972 0.214 0.146 89 1HD2 ASN 11 1HD2 ASN 11 12.165 0.367 -0.221 90 2HD2 ASN 11 2HD2 ASN 11 13.203 1.256 0.828 91 H ALA 12 H ALA 12 7.297 -1.147 1.409 92 HA ALA 12 HA ALA 12 6.021 -0.005 -0.859 93 1HB ALA 12 1HB ALA 12 4.408 -1.871 -0.591 94 2HB ALA 12 2HB ALA 12 5.192 -2.291 0.931 95 3HB ALA 12 3HB ALA 12 6.087 -2.411 -0.584 96 H PHE 13 H PHE 13 5.301 -0.255 2.577 97 HA PHE 13 HA PHE 13 2.725 0.781 2.603 98 1HB PHE 13 1HB PHE 13 4.050 -0.277 4.511 99 2HB PHE 13 1HB PHE 13 4.768 1.317 4.738 100 HD1 PHE 13 HD1 PHE 13 3.063 3.275 4.885 101 HD2 PHE 13 HD2 PHE 13 2.152 -0.796 5.667 102 HE1 PHE 13 HE1 PHE 13 1.108 3.976 6.208 103 HE2 PHE 13 HE2 PHE 13 0.197 -0.113 7.000 104 HZ PHE 13 HZ PHE 13 -0.330 2.281 7.267 105 H TYR 14 H TYR 14 5.821 2.432 2.948 106 HA TYR 14 HA TYR 14 4.752 5.042 3.141 107 1HB TYR 14 1HB TYR 14 7.388 3.831 2.884 108 2HB TYR 14 1HB TYR 14 7.262 5.318 1.948 109 HD1 TYR 14 HD1 TYR 14 8.178 7.106 3.064 110 HD2 TYR 14 HD2 TYR 14 5.994 4.217 5.296 111 HE1 TYR 14 HE1 TYR 14 8.531 8.427 5.107 112 HE2 TYR 14 HE2 TYR 14 6.341 5.531 7.346 113 HH TYR 14 HH TYR 14 6.836 7.834 7.997 114 H GLU 15 H GLU 15 5.750 3.038 0.414 115 HA GLU 15 HA GLU 15 5.566 4.964 -1.607 116 1HB GLU 15 1HB GLU 15 5.810 2.108 -1.438 117 2HB GLU 15 1HB GLU 15 4.608 2.510 -2.657 118 1HG GLU 15 1HG GLU 15 6.785 2.306 -3.668 119 2HG GLU 15 1HG GLU 15 6.230 3.978 -3.759 120 H ILE 16 H ILE 16 3.147 2.974 -0.036 121 HA ILE 16 HA ILE 16 0.973 3.733 -1.705 122 HB ILE 16 HB ILE 16 1.398 2.133 0.735 123 1HG1 ILE 16 1HG1 ILE 16 -0.693 1.427 -1.224 124 2HG1 ILE 16 1HG1 ILE 16 0.932 1.580 -1.885 125 1HG2 ILE 16 1HG2 ILE 16 -1.164 3.599 0.241 126 2HG2 ILE 16 2HG2 ILE 16 -0.313 3.307 1.760 127 3HG2 ILE 16 3HG2 ILE 16 -1.188 1.994 0.972 128 1HD1 ILE 16 1HD1 ILE 16 1.758 -0.078 -0.355 129 2HD1 ILE 16 2HD1 ILE 16 0.354 -0.717 -1.211 130 3HD1 ILE 16 3HD1 ILE 16 0.193 -0.160 0.455 131 H LEU 17 H LEU 17 2.223 4.747 1.434 132 HA LEU 17 HA LEU 17 0.142 6.519 2.104 133 1HB LEU 17 1HB LEU 17 2.895 6.000 3.017 134 2HB LEU 17 1HB LEU 17 2.304 7.622 3.324 135 HG LEU 17 HG LEU 17 0.964 5.076 4.240 136 1HD1 LEU 17 1HD1 LEU 17 2.623 7.115 5.708 137 2HD1 LEU 17 2HD1 LEU 17 2.991 5.407 5.467 138 3HD1 LEU 17 3HD1 LEU 17 1.638 5.881 6.494 139 1HD2 LEU 17 1HD2 LEU 17 0.197 7.584 5.503 140 2HD2 LEU 17 2HD2 LEU 17 -0.807 6.282 4.866 141 3HD2 LEU 17 3HD2 LEU 17 -0.195 7.532 3.785 142 H HIS 18 H HIS 18 2.600 6.726 -0.260 143 HA HIS 18 HA HIS 18 2.473 9.643 -0.347 144 1HB HIS 18 1HB HIS 18 4.665 8.400 -0.392 145 2HB HIS 18 1HB HIS 18 4.232 7.847 -2.006 146 HD1 HIS 18 HD1 HIS 18 3.739 11.344 -0.639 147 HD2 HIS 18 HD2 HIS 18 5.982 9.326 -3.495 148 HE1 HIS 18 HE1 HIS 18 4.934 13.132 -1.941 149 HE2 HIS 18 HE2 HIS 18 6.354 11.883 -3.605 150 H LEU 19 H LEU 19 0.580 7.314 -1.680 151 HA LEU 19 HA LEU 19 0.626 8.170 -4.404 152 1HB LEU 19 1HB LEU 19 -1.834 6.894 -3.337 153 2HB LEU 19 1HB LEU 19 -1.007 6.644 -4.840 154 HG LEU 19 HG LEU 19 0.500 5.709 -2.536 155 1HD1 LEU 19 1HD1 LEU 19 -1.637 3.833 -3.248 156 2HD1 LEU 19 2HD1 LEU 19 -2.165 5.231 -2.311 157 3HD1 LEU 19 3HD1 LEU 19 -0.908 4.170 -1.681 158 1HD2 LEU 19 1HD2 LEU 19 1.299 4.215 -4.023 159 2HD2 LEU 19 2HD2 LEU 19 0.660 5.374 -5.188 160 3HD2 LEU 19 3HD2 LEU 19 -0.281 3.945 -4.760 161 HA PRO 20 HA PRO 20 -1.629 11.924 -3.449 162 1HB PRO 20 1HB PRO 20 -1.357 13.116 -5.829 163 2HB PRO 20 1HB PRO 20 0.000 12.933 -4.711 164 1HG PRO 20 1HG PRO 20 -0.708 11.289 -7.114 165 2HG PRO 20 1HG PRO 20 0.875 11.914 -6.616 166 1HD PRO 20 1HD PRO 20 0.061 9.354 -6.150 167 2HD PRO 20 1HD PRO 20 1.210 10.216 -5.110 168 H ASN 21 H ASN 21 -2.489 9.898 -6.247 169 HA ASN 21 HA ASN 21 -5.124 11.183 -6.224 170 1HB ASN 21 1HB ASN 21 -5.297 9.865 -8.507 171 2HB ASN 21 1HB ASN 21 -4.487 11.420 -8.412 172 1HD2 ASN 21 1HD2 ASN 21 -2.709 11.523 -9.444 173 2HD2 ASN 21 2HD2 ASN 21 -1.611 10.232 -9.721 174 H LEU 22 H LEU 22 -4.361 9.211 -4.323 175 HA LEU 22 HA LEU 22 -5.912 6.856 -5.099 176 1HB LEU 22 1HB LEU 22 -3.544 6.985 -3.859 177 2HB LEU 22 1HB LEU 22 -4.594 7.033 -2.455 178 HG LEU 22 HG LEU 22 -5.653 4.990 -3.943 179 1HD1 LEU 22 1HD1 LEU 22 -4.051 4.537 -5.476 180 2HD1 LEU 22 2HD1 LEU 22 -3.389 3.608 -4.132 181 3HD1 LEU 22 3HD1 LEU 22 -2.758 5.217 -4.488 182 1HD2 LEU 22 1HD2 LEU 22 -3.987 5.240 -1.521 183 2HD2 LEU 22 2HD2 LEU 22 -4.116 3.626 -2.220 184 3HD2 LEU 22 3HD2 LEU 22 -5.571 4.498 -1.738 185 H ASN 23 H ASN 23 -7.716 6.185 -4.010 186 HA ASN 23 HA ASN 23 -9.064 8.244 -2.441 187 1HB ASN 23 1HB ASN 23 -9.976 6.509 -4.376 188 2HB ASN 23 1HB ASN 23 -10.503 5.723 -2.893 189 1HD2 ASN 23 1HD2 ASN 23 -12.319 6.630 -4.679 190 2HD2 ASN 23 2HD2 ASN 23 -13.150 7.996 -4.033 191 H GLU 24 H GLU 24 -9.827 7.937 -0.356 192 HA GLU 24 HA GLU 24 -8.230 6.647 1.443 193 1HB GLU 24 1HB GLU 24 -10.780 8.001 1.499 194 2HB GLU 24 1HB GLU 24 -10.754 6.671 2.649 195 1HG GLU 24 1HG GLU 24 -9.942 8.343 3.955 196 2HG GLU 24 1HG GLU 24 -8.432 7.710 3.301 197 H GLU 25 H GLU 25 -11.255 5.431 0.062 198 HA GLU 25 HA GLU 25 -11.525 3.099 1.511 199 1HB GLU 25 1HB GLU 25 -12.130 3.384 -1.433 200 2HB GLU 25 1HB GLU 25 -12.862 2.244 -0.312 201 1HG GLU 25 1HG GLU 25 -14.389 3.719 0.321 202 2HG GLU 25 1HG GLU 25 -13.171 4.959 0.611 203 H GLN 26 H GLN 26 -9.571 3.639 -1.385 204 HA GLN 26 HA GLN 26 -8.709 0.919 -1.505 205 1HB GLN 26 1HB GLN 26 -7.363 3.250 -2.855 206 2HB GLN 26 1HB GLN 26 -7.372 1.565 -3.358 207 1HG GLN 26 1HG GLN 26 -10.049 2.266 -3.304 208 2HG GLN 26 1HG GLN 26 -9.240 3.691 -3.954 209 1HE2 GLN 26 1HE2 GLN 26 -7.534 3.131 -5.649 210 2HE2 GLN 26 2HE2 GLN 26 -8.006 1.974 -6.842 211 H ARG 27 H ARG 27 -7.203 3.972 -0.487 212 HA ARG 27 HA ARG 27 -4.702 2.922 0.160 213 1HB ARG 27 1HB ARG 27 -5.514 5.381 0.054 214 2HB ARG 27 1HB ARG 27 -5.940 5.150 1.741 215 1HG ARG 27 1HG ARG 27 -3.629 4.580 2.261 216 2HG ARG 27 1HG ARG 27 -3.195 4.781 0.563 217 1HD ARG 27 1HD ARG 27 -4.010 6.860 2.562 218 2HD ARG 27 1HD ARG 27 -2.565 6.795 1.557 219 HE ARG 27 HE ARG 27 -5.243 7.262 0.419 220 1HH1 ARG 27 1HH1 ARG 27 -1.873 8.149 0.741 221 2HH1 ARG 27 2HH1 ARG 27 -1.962 9.383 -0.467 222 1HH2 ARG 27 1HH2 ARG 27 -5.348 8.885 -1.163 223 2HH2 ARG 27 2HH2 ARG 27 -3.929 9.802 -1.546 224 H ASN 28 H ASN 28 -7.711 3.011 2.025 225 HA ASN 28 HA ASN 28 -6.443 2.042 4.410 226 1HB ASN 28 1HB ASN 28 -8.622 1.973 5.375 227 2HB ASN 28 1HB ASN 28 -8.536 3.424 4.393 228 1HD2 ASN 28 1HD2 ASN 28 -9.651 0.073 4.334 229 2HD2 ASN 28 2HD2 ASN 28 -11.003 0.365 3.303 230 H ALA 29 H ALA 29 -8.560 0.650 1.936 231 HA ALA 29 HA ALA 29 -8.706 -1.943 2.950 232 1HB ALA 29 1HB ALA 29 -8.951 -2.570 0.447 233 2HB ALA 29 2HB ALA 29 -8.890 -0.829 0.174 234 3HB ALA 29 3HB ALA 29 -10.160 -1.520 1.185 235 H PHE 30 H PHE 30 -6.249 -0.438 0.936 236 HA PHE 30 HA PHE 30 -4.709 -2.797 0.548 237 1HB PHE 30 1HB PHE 30 -4.304 0.112 0.063 238 2HB PHE 30 1HB PHE 30 -2.906 -0.950 0.038 239 HD1 PHE 30 HD1 PHE 30 -6.390 -0.874 -1.328 240 HD2 PHE 30 HD2 PHE 30 -2.287 -1.773 -2.004 241 HE1 PHE 30 HE1 PHE 30 -6.913 -1.497 -3.650 242 HE2 PHE 30 HE2 PHE 30 -2.802 -2.400 -4.324 243 HZ PHE 30 HZ PHE 30 -5.114 -2.260 -5.152 244 H ILE 31 H ILE 31 -4.172 0.068 2.600 245 HA ILE 31 HA ILE 31 -1.860 -0.850 3.866 246 HB ILE 31 HB ILE 31 -4.026 1.004 4.847 247 1HG1 ILE 31 1HG1 ILE 31 -2.642 1.716 2.901 248 2HG1 ILE 31 1HG1 ILE 31 -2.446 2.757 4.308 249 1HG2 ILE 31 1HG2 ILE 31 -2.012 1.697 6.424 250 2HG2 ILE 31 2HG2 ILE 31 -1.607 -0.009 6.237 251 3HG2 ILE 31 3HG2 ILE 31 -3.177 0.458 6.890 252 1HD1 ILE 31 1HD1 ILE 31 -0.461 1.422 2.821 253 2HD1 ILE 31 2HD1 ILE 31 -0.495 0.696 4.427 254 3HD1 ILE 31 3HD1 ILE 31 -0.264 2.435 4.250 255 H GLN 32 H GLN 32 -5.239 -1.058 4.998 256 HA GLN 32 HA GLN 32 -4.742 -2.573 7.299 257 1HB GLN 32 1HB GLN 32 -6.878 -1.441 6.868 258 2HB GLN 32 1HB GLN 32 -7.205 -2.550 5.543 259 1HG GLN 32 1HG GLN 32 -8.389 -3.633 7.109 260 2HG GLN 32 1HG GLN 32 -6.817 -4.316 7.523 261 1HE2 GLN 32 1HE2 GLN 32 -7.245 -4.641 9.657 262 2HE2 GLN 32 2HE2 GLN 32 -7.475 -3.357 10.789 263 H SER 33 H SER 33 -5.822 -3.664 4.083 264 HA SER 33 HA SER 33 -5.798 -6.392 4.582 265 1HB SER 33 1HB SER 33 -6.740 -5.436 2.531 266 2HB SER 33 1HB SER 33 -5.123 -4.987 1.991 267 HG SER 33 HG SER 33 -4.608 -7.233 1.999 268 H LEU 34 H LEU 34 -3.181 -4.226 3.799 269 HA LEU 34 HA LEU 34 -1.211 -6.188 3.297 270 1HB LEU 34 1HB LEU 34 -0.723 -4.066 2.448 271 2HB LEU 34 1HB LEU 34 -1.201 -3.260 3.926 272 HG LEU 34 HG LEU 34 1.290 -3.307 3.322 273 1HD1 LEU 34 1HD1 LEU 34 1.408 -2.589 5.411 274 2HD1 LEU 34 2HD1 LEU 34 1.422 -4.256 5.985 275 3HD1 LEU 34 3HD1 LEU 34 -0.110 -3.402 5.793 276 1HD2 LEU 34 1HD2 LEU 34 1.724 -5.772 4.763 277 2HD2 LEU 34 2HD2 LEU 34 2.391 -5.236 3.221 278 3HD2 LEU 34 3HD2 LEU 34 0.831 -6.054 3.268 279 H LYS 35 H LYS 35 -2.291 -4.455 6.159 280 HA LYS 35 HA LYS 35 -0.248 -5.446 7.871 281 1HB LYS 35 1HB LYS 35 -1.470 -3.365 8.355 282 2HB LYS 35 1HB LYS 35 -2.956 -4.285 8.549 283 1HG LYS 35 1HG LYS 35 -1.156 -5.502 10.280 284 2HG LYS 35 1HG LYS 35 -0.840 -3.775 10.445 285 1HD LYS 35 1HD LYS 35 -2.603 -3.665 11.799 286 2HD LYS 35 1HD LYS 35 -3.622 -4.001 10.399 287 1HE LYS 35 1HE LYS 35 -4.044 -6.103 11.063 288 2HE LYS 35 1HE LYS 35 -2.381 -6.376 11.579 289 1HZ LYS 35 1HZ LYS 35 -4.615 -5.196 13.099 290 2HZ LYS 35 2HZ LYS 35 -3.015 -4.859 13.530 291 3HZ LYS 35 3HZ LYS 35 -3.574 -6.455 13.541 292 H ASP 36 H ASP 36 -3.335 -6.641 6.807 293 HA ASP 36 HA ASP 36 -3.414 -8.657 8.893 294 1HB ASP 36 1HB ASP 36 -5.288 -7.620 6.873 295 2HB ASP 36 1HB ASP 36 -5.414 -9.352 7.165 296 H ASP 37 H ASP 37 -2.798 -8.442 5.416 297 HA ASP 37 HA ASP 37 -2.536 -11.278 5.071 298 1HB ASP 37 1HB ASP 37 -3.138 -9.254 3.404 299 2HB ASP 37 1HB ASP 37 -1.417 -9.387 3.080 300 HA PRO 38 HA PRO 38 1.702 -12.049 5.985 301 1HB PRO 38 1HB PRO 38 2.046 -13.040 3.191 302 2HB PRO 38 1HB PRO 38 2.408 -13.842 4.725 303 1HG PRO 38 1HG PRO 38 0.268 -14.551 3.349 304 2HG PRO 38 1HG PRO 38 0.169 -14.378 5.114 305 1HD PRO 38 1HD PRO 38 -0.745 -12.496 2.972 306 2HD PRO 38 1HD PRO 38 -1.566 -12.965 4.476 307 H SER 39 H SER 39 3.666 -12.167 3.609 308 HA SER 39 HA SER 39 4.347 -9.336 3.714 309 1HB SER 39 1HB SER 39 5.904 -11.499 4.143 310 2HB SER 39 1HB SER 39 6.204 -11.249 2.423 311 HG SER 39 HG SER 39 6.404 -9.191 4.362 312 H GLN 40 H GLN 40 2.230 -10.348 1.968 313 HA GLN 40 HA GLN 40 3.284 -10.243 -0.724 314 1HB GLN 40 1HB GLN 40 0.637 -10.729 0.525 315 2HB GLN 40 1HB GLN 40 0.637 -10.085 -1.111 316 1HG GLN 40 1HG GLN 40 2.505 -12.146 -1.155 317 2HG GLN 40 1HG GLN 40 1.169 -12.759 -0.183 318 1HE2 GLN 40 1HE2 GLN 40 2.139 -11.579 -3.310 319 2HE2 GLN 40 2HE2 GLN 40 0.756 -12.145 -4.177 320 H SER 41 H SER 41 3.626 -7.860 1.025 321 HA SER 41 HA SER 41 1.873 -5.795 0.361 322 1HB SER 41 1HB SER 41 3.983 -5.939 1.989 323 2HB SER 41 1HB SER 41 4.772 -5.162 0.617 324 HG SER 41 HG SER 41 3.913 -3.606 2.015 325 H ALA 42 H ALA 42 4.898 -6.799 -1.254 326 HA ALA 42 HA ALA 42 5.124 -4.903 -3.203 327 1HB ALA 42 1HB ALA 42 5.832 -7.767 -3.037 328 2HB ALA 42 2HB ALA 42 6.842 -6.364 -3.384 329 3HB ALA 42 3HB ALA 42 5.823 -7.050 -4.649 330 H ASN 43 H ASN 43 2.831 -7.571 -3.156 331 HA ASN 43 HA ASN 43 1.894 -7.158 -5.820 332 1HB ASN 43 1HB ASN 43 1.615 -9.297 -4.571 333 2HB ASN 43 1HB ASN 43 0.466 -8.491 -3.507 334 1HD2 ASN 43 1HD2 ASN 43 0.944 -10.063 -6.484 335 2HD2 ASN 43 2HD2 ASN 43 -0.663 -9.900 -7.096 336 H LEU 44 H LEU 44 0.890 -6.080 -2.630 337 HA LEU 44 HA LEU 44 -1.446 -4.717 -3.520 338 1HB LEU 44 1HB LEU 44 -0.166 -3.824 -1.013 339 2HB LEU 44 1HB LEU 44 -1.841 -4.219 -1.340 340 HG LEU 44 HG LEU 44 0.387 -6.191 -0.831 341 1HD1 LEU 44 1HD1 LEU 44 -1.403 -6.697 1.064 342 2HD1 LEU 44 2HD1 LEU 44 -1.740 -4.980 0.832 343 3HD1 LEU 44 3HD1 LEU 44 -0.114 -5.509 1.271 344 1HD2 LEU 44 1HD2 LEU 44 -2.405 -7.103 -0.857 345 2HD2 LEU 44 2HD2 LEU 44 -0.947 -7.887 -1.465 346 3HD2 LEU 44 3HD2 LEU 44 -1.751 -6.650 -2.432 347 H LEU 45 H LEU 45 1.870 -4.036 -3.588 348 HA LEU 45 HA LEU 45 1.682 -1.159 -3.557 349 1HB LEU 45 1HB LEU 45 3.712 -2.823 -3.049 350 2HB LEU 45 1HB LEU 45 4.000 -2.594 -4.754 351 HG LEU 45 HG LEU 45 4.275 -0.220 -4.469 352 1HD1 LEU 45 1HD1 LEU 45 3.249 -0.779 -1.729 353 2HD1 LEU 45 2HD1 LEU 45 2.827 0.515 -2.850 354 3HD1 LEU 45 3HD1 LEU 45 4.360 0.567 -1.980 355 1HD2 LEU 45 1HD2 LEU 45 6.271 -1.476 -4.147 356 2HD2 LEU 45 2HD2 LEU 45 5.825 -1.874 -2.488 357 3HD2 LEU 45 3HD2 LEU 45 6.239 -0.214 -2.916 358 H ALA 46 H ALA 46 2.649 -3.595 -5.890 359 HA ALA 46 HA ALA 46 2.599 -1.980 -8.172 360 1HB ALA 46 1HB ALA 46 3.622 -3.988 -8.597 361 2HB ALA 46 2HB ALA 46 2.032 -4.309 -9.288 362 3HB ALA 46 3HB ALA 46 2.432 -4.914 -7.681 363 H GLU 47 H GLU 47 0.069 -3.646 -6.435 364 HA GLU 47 HA GLU 47 -1.937 -3.268 -8.448 365 1HB GLU 47 1HB GLU 47 -1.880 -4.243 -5.642 366 2HB GLU 47 1HB GLU 47 -3.421 -3.656 -6.253 367 1HG GLU 47 1HG GLU 47 -1.790 -5.715 -7.704 368 2HG GLU 47 1HG GLU 47 -2.975 -6.134 -6.468 369 H ALA 48 H ALA 48 -1.252 -1.644 -5.365 370 HA ALA 48 HA ALA 48 -3.286 0.303 -5.651 371 1HB ALA 48 1HB ALA 48 -1.484 1.560 -4.074 372 2HB ALA 48 2HB ALA 48 -0.984 -0.116 -3.863 373 3HB ALA 48 3HB ALA 48 -2.638 0.363 -3.489 374 H LYS 49 H LYS 49 -0.114 -0.052 -6.963 375 HA LYS 49 HA LYS 49 0.284 2.673 -7.673 376 1HB LYS 49 1HB LYS 49 2.165 1.121 -7.413 377 2HB LYS 49 1HB LYS 49 1.546 0.138 -8.730 378 1HG LYS 49 1HG LYS 49 1.754 2.399 -10.068 379 2HG LYS 49 1HG LYS 49 2.939 2.759 -8.811 380 1HD LYS 49 1HD LYS 49 4.322 1.724 -10.290 381 2HD LYS 49 1HD LYS 49 3.744 0.295 -9.430 382 1HE LYS 49 1HE LYS 49 2.872 -0.518 -11.302 383 2HE LYS 49 1HE LYS 49 1.900 0.938 -11.515 384 1HZ LYS 49 1HZ LYS 49 4.404 0.180 -12.773 385 2HZ LYS 49 2HZ LYS 49 4.279 1.806 -12.326 386 3HZ LYS 49 3HZ LYS 49 3.134 1.127 -13.368 387 H LYS 50 H LYS 50 -0.755 -0.251 -9.432 388 HA LYS 50 HA LYS 50 -1.203 1.079 -11.893 389 1HB LYS 50 1HB LYS 50 -2.318 -1.498 -10.770 390 2HB LYS 50 1HB LYS 50 -2.631 -0.940 -12.407 391 1HG LYS 50 1HG LYS 50 0.010 -1.742 -11.217 392 2HG LYS 50 1HG LYS 50 -0.883 -2.542 -12.510 393 1HD LYS 50 1HD LYS 50 0.327 0.219 -12.653 394 2HD LYS 50 1HD LYS 50 1.011 -1.241 -13.369 395 1HE LYS 50 1HE LYS 50 -0.092 -0.486 -15.198 396 2HE LYS 50 1HE LYS 50 -1.429 -1.354 -14.446 397 1HZ LYS 50 1HZ LYS 50 -2.391 0.599 -13.708 398 2HZ LYS 50 2HZ LYS 50 -1.799 1.046 -15.227 399 3HZ LYS 50 3HZ LYS 50 -0.958 1.491 -13.830 400 H LEU 51 H LEU 51 -3.148 0.434 -9.058 401 HA LEU 51 HA LEU 51 -5.605 1.309 -10.146 402 1HB LEU 51 1HB LEU 51 -4.618 0.963 -7.324 403 2HB LEU 51 1HB LEU 51 -6.232 1.550 -7.678 404 HG LEU 51 HG LEU 51 -5.100 -1.147 -8.422 405 1HD1 LEU 51 1HD1 LEU 51 -6.326 -2.045 -6.725 406 2HD1 LEU 51 2HD1 LEU 51 -7.529 -0.756 -6.761 407 3HD1 LEU 51 3HD1 LEU 51 -5.957 -0.473 -6.015 408 1HD2 LEU 51 1HD2 LEU 51 -6.520 -0.903 -10.169 409 2HD2 LEU 51 2HD2 LEU 51 -7.479 0.337 -9.360 410 3HD2 LEU 51 3HD2 LEU 51 -7.713 -1.363 -8.953 411 H ASN 52 H ASN 52 -3.225 2.910 -8.028 412 HA ASN 52 HA ASN 52 -4.495 5.349 -7.810 413 1HB ASN 52 1HB ASN 52 -2.437 4.450 -6.602 414 2HB ASN 52 1HB ASN 52 -1.615 5.179 -7.935 415 1HD2 ASN 52 1HD2 ASN 52 -0.747 7.005 -7.356 416 2HD2 ASN 52 2HD2 ASN 52 -1.515 8.212 -6.396 417 H ASP 53 H ASP 53 -2.299 4.180 -10.229 418 HA ASP 53 HA ASP 53 -2.129 6.655 -11.653 419 1HB ASP 53 1HB ASP 53 -0.435 4.764 -11.710 420 2HB ASP 53 1HB ASP 53 -1.572 3.897 -12.741 421 H ALA 54 H ALA 54 -4.128 3.798 -11.853 422 HA ALA 54 HA ALA 54 -5.286 4.277 -14.366 423 1HB ALA 54 1HB ALA 54 -5.363 2.114 -13.224 424 2HB ALA 54 2HB ALA 54 -6.966 2.658 -13.717 425 3HB ALA 54 3HB ALA 54 -6.470 2.791 -12.030 426 H GLN 55 H GLN 55 -5.992 5.665 -11.226 427 HA GLN 55 HA GLN 55 -8.448 6.836 -12.317 428 1HB GLN 55 1HB GLN 55 -7.960 7.569 -9.561 429 2HB GLN 55 1HB GLN 55 -9.348 6.767 -10.275 430 1HG GLN 55 1HG GLN 55 -8.753 5.054 -8.979 431 2HG GLN 55 1HG GLN 55 -7.528 4.744 -10.202 432 1HE2 GLN 55 1HE2 GLN 55 -7.390 4.016 -7.502 433 2HE2 GLN 55 2HE2 GLN 55 -6.059 4.852 -6.810 434 H ALA 56 H ALA 56 -5.545 7.652 -12.816 435 HA ALA 56 HA ALA 56 -5.393 10.289 -11.649 436 1HB ALA 56 1HB ALA 56 -3.609 8.528 -13.144 437 2HB ALA 56 2HB ALA 56 -3.245 9.725 -11.903 438 3HB ALA 56 3HB ALA 56 -3.455 10.229 -13.580 439 HA PRO 57 HA PRO 57 -7.058 12.918 -14.755 440 1HB PRO 57 1HB PRO 57 -4.375 13.996 -15.430 441 2HB PRO 57 1HB PRO 57 -5.829 14.846 -14.895 442 1HG PRO 57 1HG PRO 57 -3.774 14.487 -13.238 443 2HG PRO 57 1HG PRO 57 -5.446 14.366 -12.659 444 1HD PRO 57 1HD PRO 57 -3.489 12.190 -13.274 445 2HD PRO 57 1HD PRO 57 -4.679 12.299 -11.960 446 H LYS 58 H LYS 58 -7.565 12.864 -16.895 447 HA LYS 58 HA LYS 58 -5.657 11.779 -18.809 448 1HB LYS 58 1HB LYS 58 -7.397 10.206 -19.698 449 2HB LYS 58 1HB LYS 58 -6.759 9.774 -18.118 450 1HG LYS 58 1HG LYS 58 -8.825 11.086 -17.230 451 2HG LYS 58 1HG LYS 58 -9.457 10.806 -18.853 452 1HD LYS 58 1HD LYS 58 -10.225 9.020 -17.477 453 2HD LYS 58 1HD LYS 58 -8.963 8.369 -18.524 454 1HE LYS 58 1HE LYS 58 -8.118 7.532 -16.620 455 2HE LYS 58 1HE LYS 58 -7.511 9.169 -16.371 456 1HZ LYS 58 1HZ LYS 58 -9.657 7.762 -15.014 457 2HZ LYS 58 2HZ LYS 58 -9.957 9.391 -15.356 458 3HZ LYS 58 3HZ LYS 58 -8.607 8.956 -14.435 Start of MODEL 8 1 1H VAL 1 1HT VAL 1 3.852 -3.581 18.407 2 2H VAL 1 2HT VAL 1 3.487 -5.206 17.991 3 3H VAL 1 3HT VAL 1 4.094 -4.129 16.801 4 HA VAL 1 HA VAL 1 6.177 -4.200 17.556 5 HB VAL 1 HB VAL 1 6.680 -5.108 19.910 6 1HG1 VAL 1 1HG1 VAL 1 6.909 -2.751 19.188 7 2HG1 VAL 1 2HG1 VAL 1 6.462 -2.917 20.886 8 3HG1 VAL 1 3HG1 VAL 1 5.243 -2.467 19.693 9 1HG2 VAL 1 1HG2 VAL 1 4.728 -4.487 21.486 10 2HG2 VAL 1 2HG2 VAL 1 4.689 -6.042 20.658 11 3HG2 VAL 1 3HG2 VAL 1 3.716 -4.699 20.058 12 H ASP 2 H ASP 2 4.133 -6.788 18.920 13 HA ASP 2 HA ASP 2 5.940 -8.883 18.566 14 1HB ASP 2 1HB ASP 2 2.916 -8.915 18.549 15 2HB ASP 2 1HB ASP 2 3.923 -10.357 18.637 16 H ASN 3 H ASN 3 3.885 -7.255 16.297 17 HA ASN 3 HA ASN 3 4.409 -9.269 14.230 18 1HB ASN 3 1HB ASN 3 2.784 -7.847 12.890 19 2HB ASN 3 1HB ASN 3 2.113 -8.668 14.296 20 1HD2 ASN 3 1HD2 ASN 3 1.606 -7.458 16.145 21 2HD2 ASN 3 2HD2 ASN 3 1.367 -5.749 16.065 22 H LYS 4 H LYS 4 6.649 -8.735 13.996 23 HA LYS 4 HA LYS 4 7.293 -6.072 13.012 24 1HB LYS 4 1HB LYS 4 8.914 -8.455 13.844 25 2HB LYS 4 1HB LYS 4 9.650 -7.173 12.893 26 1HG LYS 4 1HG LYS 4 8.448 -5.735 14.848 27 2HG LYS 4 1HG LYS 4 8.858 -7.216 15.715 28 1HD LYS 4 1HD LYS 4 11.189 -6.993 14.885 29 2HD LYS 4 1HD LYS 4 10.744 -5.444 14.164 30 1HE LYS 4 1HE LYS 4 9.877 -5.367 16.843 31 2HE LYS 4 1HE LYS 4 11.508 -6.037 16.862 32 1HZ LYS 4 1HZ LYS 4 12.063 -3.871 16.852 33 2HZ LYS 4 2HZ LYS 4 10.607 -3.368 16.153 34 3HZ LYS 4 3HZ LYS 4 11.834 -4.008 15.181 35 H PHE 5 H PHE 5 7.302 -5.585 10.942 36 HA PHE 5 HA PHE 5 7.152 -7.703 8.944 37 1HB PHE 5 1HB PHE 5 6.900 -4.714 8.580 38 2HB PHE 5 1HB PHE 5 6.441 -5.960 7.423 39 HD1 PHE 5 HD1 PHE 5 5.449 -4.048 10.317 40 HD2 PHE 5 HD2 PHE 5 4.491 -7.420 7.905 41 HE1 PHE 5 HE1 PHE 5 3.171 -4.062 11.247 42 HE2 PHE 5 HE2 PHE 5 2.207 -7.436 8.828 43 HZ PHE 5 HZ PHE 5 1.548 -5.757 10.504 44 H ASN 6 H ASN 6 8.205 -6.303 6.748 45 HA ASN 6 HA ASN 6 11.057 -6.060 7.452 46 1HB ASN 6 1HB ASN 6 9.725 -7.587 5.246 47 2HB ASN 6 1HB ASN 6 11.339 -6.932 4.988 48 1HD2 ASN 6 1HD2 ASN 6 9.413 -9.137 6.888 49 2HD2 ASN 6 2HD2 ASN 6 10.729 -10.088 7.476 50 H LYS 7 H LYS 7 12.329 -4.893 5.733 51 HA LYS 7 HA LYS 7 11.347 -2.307 5.392 52 1HB LYS 7 1HB LYS 7 13.271 -2.030 3.790 53 2HB LYS 7 1HB LYS 7 13.701 -2.639 5.381 54 1HG LYS 7 1HG LYS 7 13.142 -4.686 3.343 55 2HG LYS 7 1HG LYS 7 14.577 -3.700 3.073 56 1HD LYS 7 1HD LYS 7 15.702 -4.804 4.644 57 2HD LYS 7 1HD LYS 7 14.429 -4.508 5.830 58 1HE LYS 7 1HE LYS 7 14.355 -6.785 5.765 59 2HE LYS 7 1HE LYS 7 13.216 -6.423 4.469 60 1HZ LYS 7 1HZ LYS 7 15.522 -6.474 3.129 61 2HZ LYS 7 2HZ LYS 7 14.520 -7.823 3.319 62 3HZ LYS 7 3HZ LYS 7 15.855 -7.613 4.335 63 H GLU 8 H GLU 8 11.277 -5.072 3.225 64 HA GLU 8 HA GLU 8 10.559 -3.830 0.842 65 1HB GLU 8 1HB GLU 8 9.569 -5.982 0.201 66 2HB GLU 8 1HB GLU 8 11.134 -6.199 0.974 67 1HG GLU 8 1HG GLU 8 9.438 -6.383 3.096 68 2HG GLU 8 1HG GLU 8 8.480 -7.100 1.801 69 H GLN 9 H GLN 9 8.682 -4.362 3.708 70 HA GLN 9 HA GLN 9 6.185 -3.799 2.372 71 1HB GLN 9 1HB GLN 9 6.056 -5.451 4.086 72 2HB GLN 9 1HB GLN 9 6.877 -4.406 5.238 73 1HG GLN 9 1HG GLN 9 4.957 -2.885 5.216 74 2HG GLN 9 1HG GLN 9 4.134 -3.952 4.084 75 1HE2 GLN 9 1HE2 GLN 9 3.871 -3.009 7.014 76 2HE2 GLN 9 2HE2 GLN 9 3.448 -4.461 7.836 77 H GLN 10 H GLN 10 8.545 -2.161 4.363 78 HA GLN 10 HA GLN 10 6.828 0.077 4.897 79 1HB GLN 10 1HB GLN 10 9.778 -0.333 5.389 80 2HB GLN 10 1HB GLN 10 8.867 1.073 5.921 81 1HG GLN 10 1HG GLN 10 7.451 -0.380 7.298 82 2HG GLN 10 1HG GLN 10 8.399 -1.773 6.784 83 1HE2 GLN 10 1HE2 GLN 10 8.897 -2.192 8.940 84 2HE2 GLN 10 2HE2 GLN 10 10.092 -1.275 9.776 85 H ASN 11 H ASN 11 9.174 -0.804 2.466 86 HA ASN 11 HA ASN 11 9.511 1.898 1.500 87 1HB ASN 11 1HB ASN 11 11.139 -0.090 1.140 88 2HB ASN 11 1HB ASN 11 10.005 -0.620 -0.096 89 1HD2 ASN 11 1HD2 ASN 11 12.693 0.086 -0.502 90 2HD2 ASN 11 2HD2 ASN 11 12.722 1.464 -1.536 91 H ALA 12 H ALA 12 7.539 -0.925 0.846 92 HA ALA 12 HA ALA 12 6.172 0.169 -1.399 93 1HB ALA 12 1HB ALA 12 6.216 -2.229 -1.070 94 2HB ALA 12 2HB ALA 12 4.547 -1.664 -0.995 95 3HB ALA 12 3HB ALA 12 5.411 -2.061 0.490 96 H PHE 13 H PHE 13 5.687 0.099 2.080 97 HA PHE 13 HA PHE 13 3.108 1.139 2.213 98 1HB PHE 13 1HB PHE 13 4.548 0.164 4.086 99 2HB PHE 13 1HB PHE 13 5.264 1.770 4.203 100 HD1 PHE 13 HD1 PHE 13 3.719 3.721 4.589 101 HD2 PHE 13 HD2 PHE 13 2.555 -0.325 5.136 102 HE1 PHE 13 HE1 PHE 13 1.835 4.461 5.996 103 HE2 PHE 13 HE2 PHE 13 0.674 0.397 6.547 104 HZ PHE 13 HZ PHE 13 0.307 2.796 6.975 105 H TYR 14 H TYR 14 6.221 2.806 2.342 106 HA TYR 14 HA TYR 14 5.151 5.417 2.456 107 1HB TYR 14 1HB TYR 14 7.817 4.251 1.755 108 2HB TYR 14 1HB TYR 14 7.502 5.933 1.340 109 HD1 TYR 14 HD1 TYR 14 8.696 3.771 3.835 110 HD2 TYR 14 HD2 TYR 14 6.531 7.394 3.313 111 HE1 TYR 14 HE1 TYR 14 9.266 4.435 6.134 112 HE2 TYR 14 HE2 TYR 14 7.094 8.070 5.610 113 HH TYR 14 HH TYR 14 8.482 5.902 7.875 114 H GLU 15 H GLU 15 6.075 3.303 -0.221 115 HA GLU 15 HA GLU 15 5.754 5.128 -2.319 116 1HB GLU 15 1HB GLU 15 5.704 2.172 -2.049 117 2HB GLU 15 1HB GLU 15 4.959 2.838 -3.496 118 1HG GLU 15 1HG GLU 15 7.791 3.277 -2.579 119 2HG GLU 15 1HG GLU 15 7.264 2.262 -3.921 120 H ILE 16 H ILE 16 3.455 3.188 -0.530 121 HA ILE 16 HA ILE 16 1.201 3.788 -2.157 122 HB ILE 16 HB ILE 16 1.776 2.311 0.320 123 1HG1 ILE 16 1HG1 ILE 16 -0.457 1.405 -1.314 124 2HG1 ILE 16 1HG1 ILE 16 0.983 1.725 -2.277 125 1HG2 ILE 16 1HG2 ILE 16 0.140 3.560 1.400 126 2HG2 ILE 16 2HG2 ILE 16 -0.757 2.167 0.797 127 3HG2 ILE 16 3HG2 ILE 16 -0.848 3.708 -0.054 128 1HD1 ILE 16 1HD1 ILE 16 0.687 -0.180 0.023 129 2HD1 ILE 16 2HD1 ILE 16 2.246 0.272 -0.666 130 3HD1 ILE 16 3HD1 ILE 16 1.047 -0.552 -1.663 131 H LEU 17 H LEU 17 2.494 4.996 0.897 132 HA LEU 17 HA LEU 17 0.374 6.759 1.490 133 1HB LEU 17 1HB LEU 17 3.119 6.297 2.454 134 2HB LEU 17 1HB LEU 17 2.511 7.924 2.697 135 HG LEU 17 HG LEU 17 1.300 5.368 3.743 136 1HD1 LEU 17 1HD1 LEU 17 3.159 5.990 5.065 137 2HD1 LEU 17 2HD1 LEU 17 1.726 6.539 5.935 138 3HD1 LEU 17 3HD1 LEU 17 2.705 7.694 5.031 139 1HD2 LEU 17 1HD2 LEU 17 0.091 7.947 3.219 140 2HD2 LEU 17 2HD2 LEU 17 0.021 7.527 4.930 141 3HD2 LEU 17 3HD2 LEU 17 -0.657 6.432 3.726 142 H HIS 18 H HIS 18 2.797 6.911 -0.894 143 HA HIS 18 HA HIS 18 2.832 9.811 -0.992 144 1HB HIS 18 1HB HIS 18 4.905 8.498 -1.323 145 2HB HIS 18 1HB HIS 18 4.217 7.830 -2.799 146 HD1 HIS 18 HD1 HIS 18 5.415 8.901 -4.677 147 HD2 HIS 18 HD2 HIS 18 4.472 11.631 -1.690 148 HE1 HIS 18 HE1 HIS 18 6.155 11.139 -5.554 149 HE2 HIS 18 HE2 HIS 18 5.481 12.787 -3.772 150 H LEU 19 H LEU 19 0.838 7.418 -2.379 151 HA LEU 19 HA LEU 19 0.530 8.554 -4.949 152 1HB LEU 19 1HB LEU 19 -1.794 7.182 -3.687 153 2HB LEU 19 1HB LEU 19 -1.192 7.094 -5.316 154 HG LEU 19 HG LEU 19 0.663 5.954 -3.403 155 1HD1 LEU 19 1HD1 LEU 19 -0.586 4.048 -2.768 156 2HD1 LEU 19 2HD1 LEU 19 -1.937 4.509 -3.800 157 3HD1 LEU 19 3HD1 LEU 19 -1.573 5.448 -2.352 158 1HD2 LEU 19 1HD2 LEU 19 0.766 4.197 -5.035 159 2HD2 LEU 19 2HD2 LEU 19 0.783 5.752 -5.867 160 3HD2 LEU 19 3HD2 LEU 19 -0.696 4.793 -5.821 161 HA PRO 20 HA PRO 20 -1.605 12.231 -3.479 162 1HB PRO 20 1HB PRO 20 -1.507 13.601 -5.774 163 2HB PRO 20 1HB PRO 20 -0.068 13.348 -4.777 164 1HG PRO 20 1HG PRO 20 -0.947 11.882 -7.238 165 2HG PRO 20 1HG PRO 20 0.665 12.489 -6.817 166 1HD PRO 20 1HD PRO 20 -0.086 9.892 -6.485 167 2HD PRO 20 1HD PRO 20 1.124 10.692 -5.464 168 H ASN 21 H ASN 21 -2.585 10.255 -6.206 169 HA ASN 21 HA ASN 21 -5.246 11.487 -6.115 170 1HB ASN 21 1HB ASN 21 -5.540 10.260 -8.352 171 2HB ASN 21 1HB ASN 21 -4.478 11.662 -8.331 172 1HD2 ASN 21 1HD2 ASN 21 -4.777 9.009 -9.825 173 2HD2 ASN 21 2HD2 ASN 21 -3.158 8.447 -9.923 174 H LEU 22 H LEU 22 -4.363 9.643 -4.179 175 HA LEU 22 HA LEU 22 -5.897 7.213 -4.807 176 1HB LEU 22 1HB LEU 22 -3.845 6.446 -4.151 177 2HB LEU 22 1HB LEU 22 -3.545 7.815 -3.104 178 HG LEU 22 HG LEU 22 -5.690 6.164 -2.064 179 1HD1 LEU 22 1HD1 LEU 22 -3.223 4.665 -1.730 180 2HD1 LEU 22 2HD1 LEU 22 -3.820 4.651 -3.390 181 3HD1 LEU 22 3HD1 LEU 22 -4.857 4.102 -2.073 182 1HD2 LEU 22 1HD2 LEU 22 -3.182 6.305 -0.595 183 2HD2 LEU 22 2HD2 LEU 22 -4.795 6.850 -0.137 184 3HD2 LEU 22 3HD2 LEU 22 -3.763 7.883 -1.126 185 H ASN 23 H ASN 23 -7.439 6.422 -3.348 186 HA ASN 23 HA ASN 23 -8.616 8.497 -1.643 187 1HB ASN 23 1HB ASN 23 -10.656 7.071 -1.699 188 2HB ASN 23 1HB ASN 23 -10.136 7.586 -3.300 189 1HD2 ASN 23 1HD2 ASN 23 -10.107 6.105 -4.784 190 2HD2 ASN 23 2HD2 ASN 23 -9.971 4.407 -4.526 191 H GLU 24 H GLU 24 -9.080 8.144 0.508 192 HA GLU 24 HA GLU 24 -7.319 6.715 2.037 193 1HB GLU 24 1HB GLU 24 -10.135 7.338 2.899 194 2HB GLU 24 1HB GLU 24 -8.712 7.186 3.919 195 1HG GLU 24 1HG GLU 24 -8.655 9.412 3.819 196 2HG GLU 24 1HG GLU 24 -7.945 9.164 2.224 197 H GLU 25 H GLU 25 -10.607 5.722 1.156 198 HA GLU 25 HA GLU 25 -10.801 3.380 2.582 199 1HB GLU 25 1HB GLU 25 -12.596 4.435 1.194 200 2HB GLU 25 1HB GLU 25 -11.823 3.758 -0.233 201 1HG GLU 25 1HG GLU 25 -12.408 1.834 1.908 202 2HG GLU 25 1HG GLU 25 -13.815 2.565 1.137 203 H GLN 26 H GLN 26 -9.348 3.799 -0.627 204 HA GLN 26 HA GLN 26 -8.738 1.055 -0.976 205 1HB GLN 26 1HB GLN 26 -8.923 2.540 -2.889 206 2HB GLN 26 1HB GLN 26 -7.584 3.515 -2.300 207 1HG GLN 26 1HG GLN 26 -6.654 0.859 -2.492 208 2HG GLN 26 1HG GLN 26 -7.533 1.216 -3.977 209 1HE2 GLN 26 1HE2 GLN 26 -7.028 3.758 -4.510 210 2HE2 GLN 26 2HE2 GLN 26 -5.336 4.046 -4.704 211 H ARG 27 H ARG 27 -6.692 3.833 -0.069 212 HA ARG 27 HA ARG 27 -4.345 2.336 0.317 213 1HB ARG 27 1HB ARG 27 -4.797 4.923 0.199 214 2HB ARG 27 1HB ARG 27 -4.897 4.774 1.942 215 1HG ARG 27 1HG ARG 27 -2.607 3.425 1.467 216 2HG ARG 27 1HG ARG 27 -2.571 4.604 0.157 217 1HD ARG 27 1HD ARG 27 -2.980 5.302 3.061 218 2HD ARG 27 1HD ARG 27 -1.423 5.348 2.239 219 HE ARG 27 HE ARG 27 -2.161 7.190 0.977 220 1HH1 ARG 27 1HH1 ARG 27 -4.563 6.141 3.295 221 2HH1 ARG 27 2HH1 ARG 27 -5.454 7.621 3.218 222 1HH2 ARG 27 1HH2 ARG 27 -3.339 9.129 0.885 223 2HH2 ARG 27 2HH2 ARG 27 -4.762 9.315 1.853 224 H ASN 28 H ASN 28 -7.199 2.674 2.216 225 HA ASN 28 HA ASN 28 -5.998 1.935 4.714 226 1HB ASN 28 1HB ASN 28 -8.781 2.408 3.728 227 2HB ASN 28 1HB ASN 28 -8.561 1.491 5.216 228 1HD2 ASN 28 1HD2 ASN 28 -9.613 3.167 6.345 229 2HD2 ASN 28 2HD2 ASN 28 -8.785 4.630 6.743 230 H ALA 29 H ALA 29 -8.134 0.317 2.350 231 HA ALA 29 HA ALA 29 -8.161 -2.190 3.609 232 1HB ALA 29 1HB ALA 29 -9.756 -2.175 2.004 233 2HB ALA 29 2HB ALA 29 -8.469 -2.887 1.031 234 3HB ALA 29 3HB ALA 29 -8.808 -1.160 0.918 235 H PHE 30 H PHE 30 -5.929 -0.721 1.353 236 HA PHE 30 HA PHE 30 -4.367 -3.033 0.840 237 1HB PHE 30 1HB PHE 30 -4.066 -0.101 0.379 238 2HB PHE 30 1HB PHE 30 -2.657 -1.135 0.208 239 HD1 PHE 30 HD1 PHE 30 -3.870 -3.553 -0.975 240 HD2 PHE 30 HD2 PHE 30 -4.576 0.565 -1.779 241 HE1 PHE 30 HE1 PHE 30 -4.586 -4.127 -3.257 242 HE2 PHE 30 HE2 PHE 30 -5.295 -0.001 -4.064 243 HZ PHE 30 HZ PHE 30 -5.299 -2.352 -4.805 244 H ILE 31 H ILE 31 -3.744 -0.165 2.847 245 HA ILE 31 HA ILE 31 -1.332 -1.028 3.965 246 HB ILE 31 HB ILE 31 -3.467 0.804 5.053 247 1HG1 ILE 31 1HG1 ILE 31 -0.711 1.531 4.086 248 2HG1 ILE 31 1HG1 ILE 31 -2.065 1.371 2.972 249 1HG2 ILE 31 1HG2 ILE 31 -1.124 1.447 6.368 250 2HG2 ILE 31 2HG2 ILE 31 -1.163 -0.316 6.413 251 3HG2 ILE 31 3HG2 ILE 31 -2.516 0.612 7.058 252 1HD1 ILE 31 1HD1 ILE 31 -1.323 3.642 4.336 253 2HD1 ILE 31 2HD1 ILE 31 -2.710 3.044 5.246 254 3HD1 ILE 31 3HD1 ILE 31 -2.861 3.368 3.518 255 H GLN 32 H GLN 32 -4.612 -1.201 5.366 256 HA GLN 32 HA GLN 32 -3.984 -2.675 7.646 257 1HB GLN 32 1HB GLN 32 -6.163 -1.559 7.204 258 2HB GLN 32 1HB GLN 32 -6.539 -2.819 6.037 259 1HG GLN 32 1HG GLN 32 -7.617 -3.674 7.828 260 2HG GLN 32 1HG GLN 32 -6.025 -4.375 8.119 261 1HE2 GLN 32 1HE2 GLN 32 -6.183 -4.511 10.305 262 2HE2 GLN 32 2HE2 GLN 32 -6.262 -3.136 11.346 263 H SER 33 H SER 33 -5.135 -3.843 4.489 264 HA SER 33 HA SER 33 -5.059 -6.565 5.095 265 1HB SER 33 1HB SER 33 -6.174 -5.704 3.093 266 2HB SER 33 1HB SER 33 -4.616 -5.234 2.417 267 HG SER 33 HG SER 33 -5.001 -7.184 1.540 268 H LEU 34 H LEU 34 -2.543 -4.378 4.084 269 HA LEU 34 HA LEU 34 -0.589 -6.309 3.445 270 1HB LEU 34 1HB LEU 34 -0.169 -4.196 2.573 271 2HB LEU 34 1HB LEU 34 -0.597 -3.383 4.060 272 HG LEU 34 HG LEU 34 1.856 -3.357 3.350 273 1HD1 LEU 34 1HD1 LEU 34 0.633 -3.153 5.754 274 2HD1 LEU 34 2HD1 LEU 34 2.357 -2.886 5.486 275 3HD1 LEU 34 3HD1 LEU 34 1.786 -4.449 6.072 276 1HD2 LEU 34 1HD2 LEU 34 2.452 -5.808 4.747 277 2HD2 LEU 34 2HD2 LEU 34 3.003 -5.253 3.167 278 3HD2 LEU 34 3HD2 LEU 34 1.476 -6.122 3.312 279 H LYS 35 H LYS 35 -1.412 -4.572 6.405 280 HA LYS 35 HA LYS 35 0.769 -5.654 7.891 281 1HB LYS 35 1HB LYS 35 -1.667 -4.058 8.640 282 2HB LYS 35 1HB LYS 35 -0.548 -4.668 9.852 283 1HG LYS 35 1HG LYS 35 1.115 -3.443 8.038 284 2HG LYS 35 1HG LYS 35 -0.304 -2.394 8.060 285 1HD LYS 35 1HD LYS 35 -0.104 -2.586 10.636 286 2HD LYS 35 1HD LYS 35 1.543 -3.127 10.302 287 1HE LYS 35 1HE LYS 35 0.494 -0.616 9.058 288 2HE LYS 35 1HE LYS 35 1.079 -0.605 10.721 289 1HZ LYS 35 1HZ LYS 35 3.118 -1.794 9.633 290 2HZ LYS 35 2HZ LYS 35 2.981 -0.108 9.591 291 3HZ LYS 35 3HZ LYS 35 2.568 -1.024 8.230 292 H ASP 36 H ASP 36 -2.502 -6.663 7.250 293 HA ASP 36 HA ASP 36 -2.459 -8.546 9.461 294 1HB ASP 36 1HB ASP 36 -4.716 -8.706 9.229 295 2HB ASP 36 1HB ASP 36 -4.509 -7.190 8.362 296 H ASP 37 H ASP 37 -2.397 -8.613 5.917 297 HA ASP 37 HA ASP 37 -2.190 -11.478 5.807 298 1HB ASP 37 1HB ASP 37 -3.080 -9.480 4.147 299 2HB ASP 37 1HB ASP 37 -1.557 -9.930 3.411 300 HA PRO 38 HA PRO 38 2.178 -12.212 5.626 301 1HB PRO 38 1HB PRO 38 2.666 -12.798 2.918 302 2HB PRO 38 1HB PRO 38 2.250 -13.954 4.184 303 1HG PRO 38 1HG PRO 38 0.506 -12.648 2.154 304 2HG PRO 38 1HG PRO 38 0.428 -14.291 2.818 305 1HD PRO 38 1HD PRO 38 -1.290 -12.421 3.593 306 2HD PRO 38 1HD PRO 38 -0.642 -13.584 4.759 307 H SER 39 H SER 39 4.053 -11.794 3.537 308 HA SER 39 HA SER 39 4.276 -8.895 3.700 309 1HB SER 39 1HB SER 39 6.220 -11.126 3.223 310 2HB SER 39 1HB SER 39 6.635 -9.485 2.729 311 HG SER 39 HG SER 39 6.007 -8.928 4.986 312 H GLN 40 H GLN 40 2.450 -10.193 1.818 313 HA GLN 40 HA GLN 40 3.589 -9.951 -0.808 314 1HB GLN 40 1HB GLN 40 1.186 -10.203 -1.553 315 2HB GLN 40 1HB GLN 40 1.851 -11.532 -0.617 316 1HG GLN 40 1HG GLN 40 -0.335 -11.181 0.173 317 2HG GLN 40 1HG GLN 40 0.739 -10.524 1.402 318 1HE2 GLN 40 1HE2 GLN 40 -0.299 -8.881 2.286 319 2HE2 GLN 40 2HE2 GLN 40 -1.061 -7.589 1.430 320 H SER 41 H SER 41 3.831 -7.543 0.787 321 HA SER 41 HA SER 41 1.965 -5.570 0.158 322 1HB SER 41 1HB SER 41 4.674 -4.524 0.156 323 2HB SER 41 1HB SER 41 3.374 -4.257 1.316 324 HG SER 41 HG SER 41 4.879 -5.309 2.469 325 H ALA 42 H ALA 42 4.899 -6.556 -1.601 326 HA ALA 42 HA ALA 42 4.994 -4.727 -3.620 327 1HB ALA 42 1HB ALA 42 5.612 -6.911 -5.040 328 2HB ALA 42 2HB ALA 42 5.714 -7.585 -3.413 329 3HB ALA 42 3HB ALA 42 6.702 -6.193 -3.854 330 H ASN 43 H ASN 43 2.728 -7.399 -3.343 331 HA ASN 43 HA ASN 43 1.623 -7.117 -5.949 332 1HB ASN 43 1HB ASN 43 0.763 -8.510 -3.434 333 2HB ASN 43 1HB ASN 43 -0.354 -8.372 -4.788 334 1HD2 ASN 43 1HD2 ASN 43 1.148 -10.651 -3.500 335 2HD2 ASN 43 2HD2 ASN 43 1.899 -11.465 -4.826 336 H LEU 44 H LEU 44 0.738 -5.882 -2.760 337 HA LEU 44 HA LEU 44 -1.597 -4.542 -3.697 338 1HB LEU 44 1HB LEU 44 -0.345 -3.588 -1.201 339 2HB LEU 44 1HB LEU 44 -2.019 -3.959 -1.549 340 HG LEU 44 HG LEU 44 -0.125 -6.247 -1.357 341 1HD1 LEU 44 1HD1 LEU 44 -1.307 -5.317 1.179 342 2HD1 LEU 44 2HD1 LEU 44 0.100 -4.431 0.588 343 3HD1 LEU 44 3HD1 LEU 44 0.207 -6.169 0.872 344 1HD2 LEU 44 1HD2 LEU 44 -2.205 -7.064 -1.753 345 2HD2 LEU 44 2HD2 LEU 44 -3.009 -5.681 -1.009 346 3HD2 LEU 44 3HD2 LEU 44 -2.305 -6.942 0.004 347 H LEU 45 H LEU 45 1.697 -3.913 -3.865 348 HA LEU 45 HA LEU 45 1.582 -1.034 -3.841 349 1HB LEU 45 1HB LEU 45 3.589 -2.756 -3.433 350 2HB LEU 45 1HB LEU 45 3.796 -2.536 -5.151 351 HG LEU 45 HG LEU 45 4.167 -0.176 -4.888 352 1HD1 LEU 45 1HD1 LEU 45 2.814 0.613 -3.211 353 2HD1 LEU 45 2HD1 LEU 45 4.385 0.620 -2.411 354 3HD1 LEU 45 3HD1 LEU 45 3.244 -0.688 -2.101 355 1HD2 LEU 45 1HD2 LEU 45 6.140 -1.474 -4.645 356 2HD2 LEU 45 2HD2 LEU 45 5.743 -1.885 -2.977 357 3HD2 LEU 45 3HD2 LEU 45 6.188 -0.231 -3.396 358 H ALA 46 H ALA 46 2.366 -3.503 -6.210 359 HA ALA 46 HA ALA 46 2.190 -1.855 -8.477 360 1HB ALA 46 1HB ALA 46 1.877 -4.840 -8.172 361 2HB ALA 46 2HB ALA 46 3.321 -3.951 -8.658 362 3HB ALA 46 3HB ALA 46 1.923 -4.016 -9.731 363 H GLU 47 H GLU 47 -0.211 -3.612 -6.642 364 HA GLU 47 HA GLU 47 -2.306 -3.323 -8.579 365 1HB GLU 47 1HB GLU 47 -2.094 -4.301 -5.785 366 2HB GLU 47 1HB GLU 47 -3.677 -3.753 -6.312 367 1HG GLU 47 1HG GLU 47 -3.659 -5.333 -8.136 368 2HG GLU 47 1HG GLU 47 -2.026 -5.843 -7.710 369 H ALA 48 H ALA 48 -1.589 -1.713 -5.504 370 HA ALA 48 HA ALA 48 -3.691 0.173 -5.702 371 1HB ALA 48 1HB ALA 48 -2.535 -0.408 -3.581 372 2HB ALA 48 2HB ALA 48 -2.609 1.328 -3.881 373 3HB ALA 48 3HB ALA 48 -1.108 0.447 -4.166 374 H LYS 49 H LYS 49 -0.547 -0.059 -7.089 375 HA LYS 49 HA LYS 49 -0.272 2.705 -7.743 376 1HB LYS 49 1HB LYS 49 1.672 1.187 -7.461 377 2HB LYS 49 1HB LYS 49 1.130 0.267 -8.853 378 1HG LYS 49 1HG LYS 49 1.302 2.943 -9.697 379 2HG LYS 49 1HG LYS 49 2.761 2.613 -8.761 380 1HD LYS 49 1HD LYS 49 3.452 1.897 -10.819 381 2HD LYS 49 1HD LYS 49 2.755 0.397 -10.203 382 1HE LYS 49 1HE LYS 49 1.879 0.598 -12.362 383 2HE LYS 49 1HE LYS 49 0.583 1.166 -11.311 384 1HZ LYS 49 1HZ LYS 49 2.520 2.975 -12.642 385 2HZ LYS 49 2HZ LYS 49 1.101 3.408 -11.830 386 3HZ LYS 49 3HZ LYS 49 1.013 2.576 -13.300 387 H LYS 50 H LYS 50 -1.228 -0.259 -9.435 388 HA LYS 50 HA LYS 50 -1.666 0.966 -11.955 389 1HB LYS 50 1HB LYS 50 -1.631 -1.622 -10.998 390 2HB LYS 50 1HB LYS 50 -3.329 -1.370 -11.372 391 1HG LYS 50 1HG LYS 50 -2.565 -2.183 -13.364 392 2HG LYS 50 1HG LYS 50 -2.385 -0.448 -13.630 393 1HD LYS 50 1HD LYS 50 -0.198 -0.692 -13.948 394 2HD LYS 50 1HD LYS 50 -0.025 -1.448 -12.363 395 1HE LYS 50 1HE LYS 50 0.799 -2.911 -14.135 396 2HE LYS 50 1HE LYS 50 -0.600 -3.615 -13.326 397 1HZ LYS 50 1HZ LYS 50 -1.912 -2.528 -15.228 398 2HZ LYS 50 2HZ LYS 50 -1.049 -3.945 -15.554 399 3HZ LYS 50 3HZ LYS 50 -0.422 -2.446 -16.026 400 H LEU 51 H LEU 51 -3.636 0.383 -9.121 401 HA LEU 51 HA LEU 51 -6.098 1.137 -10.296 402 1HB LEU 51 1HB LEU 51 -5.174 0.967 -7.434 403 2HB LEU 51 1HB LEU 51 -6.806 1.432 -7.873 404 HG LEU 51 HG LEU 51 -5.740 -1.134 -8.948 405 1HD1 LEU 51 1HD1 LEU 51 -6.817 -0.840 -6.149 406 2HD1 LEU 51 2HD1 LEU 51 -5.123 -1.119 -6.554 407 3HD1 LEU 51 3HD1 LEU 51 -6.336 -2.336 -6.951 408 1HD2 LEU 51 1HD2 LEU 51 -8.446 -0.240 -7.959 409 2HD2 LEU 51 2HD2 LEU 51 -8.079 -1.799 -8.697 410 3HD2 LEU 51 3HD2 LEU 51 -7.931 -0.319 -9.644 411 H ASN 52 H ASN 52 -3.800 2.875 -8.199 412 HA ASN 52 HA ASN 52 -5.143 5.289 -8.121 413 1HB ASN 52 1HB ASN 52 -3.090 4.470 -6.809 414 2HB ASN 52 1HB ASN 52 -2.257 5.204 -8.130 415 1HD2 ASN 52 1HD2 ASN 52 -1.563 7.148 -7.714 416 2HD2 ASN 52 2HD2 ASN 52 -2.385 8.310 -6.743 417 H ASP 53 H ASP 53 -2.807 4.081 -10.401 418 HA ASP 53 HA ASP 53 -2.692 6.501 -11.920 419 1HB ASP 53 1HB ASP 53 -0.891 4.723 -11.830 420 2HB ASP 53 1HB ASP 53 -1.933 3.727 -12.842 421 H ALA 54 H ALA 54 -4.492 3.502 -12.095 422 HA ALA 54 HA ALA 54 -5.648 3.973 -14.641 423 1HB ALA 54 1HB ALA 54 -5.437 1.728 -13.769 424 2HB ALA 54 2HB ALA 54 -7.134 2.101 -14.074 425 3HB ALA 54 3HB ALA 54 -6.508 2.125 -12.425 426 H GLN 55 H GLN 55 -6.516 4.827 -11.362 427 HA GLN 55 HA GLN 55 -9.113 5.831 -12.264 428 1HB GLN 55 1HB GLN 55 -9.744 5.975 -9.943 429 2HB GLN 55 1HB GLN 55 -9.080 4.380 -10.264 430 1HG GLN 55 1HG GLN 55 -6.885 5.823 -9.433 431 2HG GLN 55 1HG GLN 55 -8.186 6.434 -8.419 432 1HE2 GLN 55 1HE2 GLN 55 -6.596 5.385 -6.900 433 2HE2 GLN 55 2HE2 GLN 55 -6.906 3.742 -6.504 434 H ALA 56 H ALA 56 -6.294 7.034 -12.586 435 HA ALA 56 HA ALA 56 -6.463 9.499 -11.091 436 1HB ALA 56 1HB ALA 56 -4.535 9.040 -13.328 437 2HB ALA 56 2HB ALA 56 -4.338 8.191 -11.795 438 3HB ALA 56 3HB ALA 56 -4.324 9.955 -11.835 439 HA PRO 57 HA PRO 57 -8.319 12.277 -13.962 440 1HB PRO 57 1HB PRO 57 -5.847 13.895 -14.117 441 2HB PRO 57 1HB PRO 57 -7.462 14.355 -13.569 442 1HG PRO 57 1HG PRO 57 -5.463 14.024 -11.831 443 2HG PRO 57 1HG PRO 57 -7.119 13.527 -11.433 444 1HD PRO 57 1HD PRO 57 -4.788 11.851 -12.288 445 2HD PRO 57 1HD PRO 57 -6.021 11.520 -11.052 446 H LYS 58 H LYS 58 -8.256 13.141 -16.132 447 HA LYS 58 HA LYS 58 -6.859 11.394 -17.946 448 1HB LYS 58 1HB LYS 58 -8.108 12.585 -19.704 449 2HB LYS 58 1HB LYS 58 -9.164 12.015 -18.419 450 1HG LYS 58 1HG LYS 58 -9.944 14.152 -18.873 451 2HG LYS 58 1HG LYS 58 -8.932 14.376 -17.446 452 1HD LYS 58 1HD LYS 58 -7.355 14.636 -19.839 453 2HD LYS 58 1HD LYS 58 -8.749 15.715 -19.905 454 1HE LYS 58 1HE LYS 58 -7.964 17.032 -18.260 455 2HE LYS 58 1HE LYS 58 -7.367 15.666 -17.319 456 1HZ LYS 58 1HZ LYS 58 -5.384 16.500 -17.918 457 2HZ LYS 58 2HZ LYS 58 -5.991 17.311 -19.272 458 3HZ LYS 58 3HZ LYS 58 -5.657 15.655 -19.358 Start of MODEL 9 1 1H VAL 1 1HT VAL 1 7.814 -9.758 14.534 2 2H VAL 1 2HT VAL 1 7.475 -8.076 14.490 3 3H VAL 1 3HT VAL 1 6.651 -9.147 13.433 4 HA VAL 1 HA VAL 1 5.105 -8.795 15.009 5 HB VAL 1 HB VAL 1 6.656 -11.115 16.166 6 1HG1 VAL 1 1HG1 VAL 1 3.689 -10.570 16.117 7 2HG1 VAL 1 2HG1 VAL 1 4.744 -10.301 17.505 8 3HG1 VAL 1 3HG1 VAL 1 4.501 -11.934 16.885 9 1HG2 VAL 1 1HG2 VAL 1 6.500 -11.903 14.053 10 2HG2 VAL 1 2HG2 VAL 1 5.187 -10.806 13.625 11 3HG2 VAL 1 3HG2 VAL 1 4.848 -12.271 14.546 12 H ASP 2 H ASP 2 8.289 -9.095 16.517 13 HA ASP 2 HA ASP 2 7.421 -8.187 19.073 14 1HB ASP 2 1HB ASP 2 9.437 -9.581 18.802 15 2HB ASP 2 1HB ASP 2 10.212 -8.278 17.906 16 H ASN 3 H ASN 3 8.658 -6.713 16.177 17 HA ASN 3 HA ASN 3 8.524 -4.058 17.435 18 1HB ASN 3 1HB ASN 3 9.867 -4.758 14.814 19 2HB ASN 3 1HB ASN 3 10.032 -3.266 15.735 20 1HD2 ASN 3 1HD2 ASN 3 10.756 -6.696 15.711 21 2HD2 ASN 3 2HD2 ASN 3 12.110 -6.608 16.778 22 H LYS 4 H LYS 4 8.489 -3.025 14.540 23 HA LYS 4 HA LYS 4 5.591 -3.219 14.209 24 1HB LYS 4 1HB LYS 4 7.108 -1.013 14.359 25 2HB LYS 4 1HB LYS 4 7.201 -1.286 12.625 26 1HG LYS 4 1HG LYS 4 4.580 -1.515 12.883 27 2HG LYS 4 1HG LYS 4 4.883 -0.515 14.306 28 1HD LYS 4 1HD LYS 4 5.852 1.210 12.996 29 2HD LYS 4 1HD LYS 4 5.927 0.176 11.568 30 1HE LYS 4 1HE LYS 4 4.080 1.491 11.120 31 2HE LYS 4 1HE LYS 4 3.349 0.055 11.836 32 1HZ LYS 4 1HZ LYS 4 2.820 2.542 12.630 33 2HZ LYS 4 2HZ LYS 4 4.069 2.155 13.703 34 3HZ LYS 4 3HZ LYS 4 2.682 1.190 13.639 35 H PHE 5 H PHE 5 5.928 -2.182 11.388 36 HA PHE 5 HA PHE 5 5.845 -4.702 10.080 37 1HB PHE 5 1HB PHE 5 5.811 -1.857 9.100 38 2HB PHE 5 1HB PHE 5 5.800 -3.224 7.988 39 HD1 PHE 5 HD1 PHE 5 3.670 -3.313 7.058 40 HD2 PHE 5 HD2 PHE 5 4.075 -2.735 11.254 41 HE1 PHE 5 HE1 PHE 5 1.236 -3.493 7.315 42 HE2 PHE 5 HE2 PHE 5 1.640 -2.914 11.517 43 HZ PHE 5 HZ PHE 5 0.219 -3.295 9.546 44 H ASN 6 H ASN 6 7.208 -5.155 8.090 45 HA ASN 6 HA ASN 6 10.013 -4.886 8.825 46 1HB ASN 6 1HB ASN 6 8.441 -6.685 7.052 47 2HB ASN 6 1HB ASN 6 10.130 -6.413 6.634 48 1HD2 ASN 6 1HD2 ASN 6 8.721 -8.810 7.607 49 2HD2 ASN 6 2HD2 ASN 6 9.582 -9.309 9.020 50 H LYS 7 H LYS 7 11.506 -4.825 6.749 51 HA LYS 7 HA LYS 7 11.354 -2.192 5.762 52 1HB LYS 7 1HB LYS 7 13.030 -4.371 4.558 53 2HB LYS 7 1HB LYS 7 13.359 -2.645 4.622 54 1HG LYS 7 1HG LYS 7 13.187 -3.253 7.263 55 2HG LYS 7 1HG LYS 7 13.872 -4.739 6.601 56 1HD LYS 7 1HD LYS 7 14.963 -1.954 6.197 57 2HD LYS 7 1HD LYS 7 15.624 -3.176 7.285 58 1HE LYS 7 1HE LYS 7 15.542 -4.552 4.951 59 2HE LYS 7 1HE LYS 7 15.846 -2.918 4.363 60 1HZ LYS 7 1HZ LYS 7 17.953 -3.120 4.961 61 2HZ LYS 7 2HZ LYS 7 17.670 -4.705 5.479 62 3HZ LYS 7 3HZ LYS 7 17.515 -3.420 6.568 63 H GLU 8 H GLU 8 11.435 -5.155 3.761 64 HA GLU 8 HA GLU 8 10.618 -4.074 1.382 65 1HB GLU 8 1HB GLU 8 9.802 -6.294 0.763 66 2HB GLU 8 1HB GLU 8 11.323 -6.412 1.636 67 1HG GLU 8 1HG GLU 8 10.287 -7.978 2.833 68 2HG GLU 8 1HG GLU 8 9.516 -6.623 3.658 69 H GLN 9 H GLN 9 8.672 -4.838 4.160 70 HA GLN 9 HA GLN 9 6.171 -4.401 2.822 71 1HB GLN 9 1HB GLN 9 6.290 -6.020 4.627 72 2HB GLN 9 1HB GLN 9 6.880 -4.788 5.732 73 1HG GLN 9 1HG GLN 9 4.738 -4.708 6.368 74 2HG GLN 9 1HG GLN 9 4.558 -3.664 4.960 75 1HE2 GLN 9 1HE2 GLN 9 2.754 -5.555 6.389 76 2HE2 GLN 9 2HE2 GLN 9 2.134 -6.579 5.150 77 H GLN 10 H GLN 10 8.369 -2.602 4.877 78 HA GLN 10 HA GLN 10 6.553 -0.398 5.211 79 1HB GLN 10 1HB GLN 10 9.371 -0.956 6.066 80 2HB GLN 10 1HB GLN 10 8.714 0.671 6.179 81 1HG GLN 10 1HG GLN 10 7.265 -1.650 7.385 82 2HG GLN 10 1HG GLN 10 8.593 -0.867 8.236 83 1HE2 GLN 10 1HE2 GLN 10 7.055 -0.339 9.844 84 2HE2 GLN 10 2HE2 GLN 10 6.015 1.018 9.636 85 H ASN 11 H ASN 11 8.812 -1.389 2.834 86 HA ASN 11 HA ASN 11 9.360 1.289 1.868 87 1HB ASN 11 1HB ASN 11 10.991 -0.573 1.497 88 2HB ASN 11 1HB ASN 11 9.789 -1.394 0.509 89 1HD2 ASN 11 1HD2 ASN 11 12.367 -0.628 -0.305 90 2HD2 ASN 11 2HD2 ASN 11 12.194 0.524 -1.574 91 H ALA 12 H ALA 12 7.311 -1.478 1.124 92 HA ALA 12 HA ALA 12 5.991 -0.273 -1.091 93 1HB ALA 12 1HB ALA 12 5.590 -2.685 0.586 94 2HB ALA 12 2HB ALA 12 5.614 -2.519 -1.169 95 3HB ALA 12 3HB ALA 12 4.175 -2.059 -0.259 96 H PHE 13 H PHE 13 5.465 -0.454 2.380 97 HA PHE 13 HA PHE 13 2.934 0.684 2.545 98 1HB PHE 13 1HB PHE 13 4.356 -0.401 4.381 99 2HB PHE 13 1HB PHE 13 5.100 1.187 4.559 100 HD1 PHE 13 HD1 PHE 13 2.405 -0.898 5.481 101 HD2 PHE 13 HD2 PHE 13 3.536 3.159 4.945 102 HE1 PHE 13 HE1 PHE 13 0.530 -0.199 6.910 103 HE2 PHE 13 HE2 PHE 13 1.664 3.878 6.377 104 HZ PHE 13 HZ PHE 13 0.154 2.197 7.360 105 H TYR 14 H TYR 14 6.098 2.242 2.771 106 HA TYR 14 HA TYR 14 5.145 4.882 2.970 107 1HB TYR 14 1HB TYR 14 7.713 3.570 2.536 108 2HB TYR 14 1HB TYR 14 7.576 5.065 1.616 109 HD1 TYR 14 HD1 TYR 14 6.479 4.013 5.037 110 HD2 TYR 14 HD2 TYR 14 8.662 6.795 2.672 111 HE1 TYR 14 HE1 TYR 14 7.019 5.301 7.062 112 HE2 TYR 14 HE2 TYR 14 9.209 8.090 4.690 113 HH TYR 14 HH TYR 14 9.361 7.801 7.079 114 H GLU 15 H GLU 15 5.971 2.855 0.193 115 HA GLU 15 HA GLU 15 5.668 4.777 -1.819 116 1HB GLU 15 1HB GLU 15 5.508 1.807 -1.684 117 2HB GLU 15 1HB GLU 15 4.816 2.582 -3.103 118 1HG GLU 15 1HG GLU 15 7.582 3.267 -2.209 119 2HG GLU 15 1HG GLU 15 7.278 1.805 -3.145 120 H ILE 16 H ILE 16 3.358 2.846 -0.047 121 HA ILE 16 HA ILE 16 1.080 3.527 -1.602 122 HB ILE 16 HB ILE 16 1.646 2.127 0.956 123 1HG1 ILE 16 1HG1 ILE 16 1.568 1.052 -1.331 124 2HG1 ILE 16 1HG1 ILE 16 0.582 0.285 -0.091 125 1HG2 ILE 16 1HG2 ILE 16 -0.151 3.196 1.888 126 2HG2 ILE 16 2HG2 ILE 16 -0.978 1.858 1.089 127 3HG2 ILE 16 3HG2 ILE 16 -0.947 3.452 0.334 128 1HD1 ILE 16 1HD1 ILE 16 -0.184 1.400 -2.626 129 2HD1 ILE 16 2HD1 ILE 16 -1.107 2.126 -1.313 130 3HD1 ILE 16 3HD1 ILE 16 -1.101 0.375 -1.523 131 H LEU 17 H LEU 17 2.527 4.687 1.404 132 HA LEU 17 HA LEU 17 0.478 6.505 2.082 133 1HB LEU 17 1HB LEU 17 3.281 6.024 2.928 134 2HB LEU 17 1HB LEU 17 2.592 7.592 3.303 135 HG LEU 17 HG LEU 17 1.453 4.929 4.154 136 1HD1 LEU 17 1HD1 LEU 17 3.309 6.854 5.407 137 2HD1 LEU 17 2HD1 LEU 17 3.153 5.111 5.631 138 3HD1 LEU 17 3HD1 LEU 17 2.029 6.207 6.434 139 1HD2 LEU 17 1HD2 LEU 17 0.084 6.519 5.649 140 2HD2 LEU 17 2HD2 LEU 17 -0.394 6.327 3.963 141 3HD2 LEU 17 3HD2 LEU 17 0.511 7.754 4.466 142 H HIS 18 H HIS 18 2.891 6.613 -0.340 143 HA HIS 18 HA HIS 18 2.721 9.540 -0.488 144 1HB HIS 18 1HB HIS 18 4.954 8.313 -0.364 145 2HB HIS 18 1HB HIS 18 4.648 7.818 -2.024 146 HD1 HIS 18 HD1 HIS 18 6.366 9.189 -3.232 147 HD2 HIS 18 HD2 HIS 18 4.049 11.464 -0.639 148 HE1 HIS 18 HE1 HIS 18 6.990 11.580 -3.695 149 HE2 HIS 18 HE2 HIS 18 5.637 12.933 -2.056 150 H LEU 19 H LEU 19 0.926 7.185 -1.791 151 HA LEU 19 HA LEU 19 1.149 7.842 -4.566 152 1HB LEU 19 1HB LEU 19 -1.378 6.651 -3.563 153 2HB LEU 19 1HB LEU 19 -0.464 6.292 -4.997 154 HG LEU 19 HG LEU 19 0.785 5.515 -2.459 155 1HD1 LEU 19 1HD1 LEU 19 -1.839 4.522 -3.377 156 2HD1 LEU 19 2HD1 LEU 19 -1.166 4.583 -1.750 157 3HD1 LEU 19 3HD1 LEU 19 -0.666 3.313 -2.866 158 1HD2 LEU 19 1HD2 LEU 19 1.566 5.161 -4.919 159 2HD2 LEU 19 2HD2 LEU 19 0.428 3.814 -4.876 160 3HD2 LEU 19 3HD2 LEU 19 1.769 3.871 -3.733 161 HA PRO 20 HA PRO 20 -1.265 11.599 -3.995 162 1HB PRO 20 1HB PRO 20 -0.721 12.729 -6.354 163 2HB PRO 20 1HB PRO 20 0.505 12.606 -5.086 164 1HG PRO 20 1HG PRO 20 0.111 10.893 -7.511 165 2HG PRO 20 1HG PRO 20 1.615 11.550 -6.840 166 1HD PRO 20 1HD PRO 20 0.743 8.984 -6.416 167 2HD PRO 20 1HD PRO 20 1.802 9.867 -5.299 168 H ASN 21 H ASN 21 -1.626 9.351 -6.672 169 HA ASN 21 HA ASN 21 -4.264 10.478 -7.272 170 1HB ASN 21 1HB ASN 21 -2.858 8.380 -8.912 171 2HB ASN 21 1HB ASN 21 -4.142 9.471 -9.412 172 1HD2 ASN 21 1HD2 ASN 21 -1.382 8.851 -10.351 173 2HD2 ASN 21 2HD2 ASN 21 -0.634 10.389 -10.504 174 H LEU 22 H LEU 22 -3.743 8.935 -4.948 175 HA LEU 22 HA LEU 22 -5.326 6.503 -5.486 176 1HB LEU 22 1HB LEU 22 -3.246 5.786 -4.703 177 2HB LEU 22 1HB LEU 22 -3.124 7.101 -3.555 178 HG LEU 22 HG LEU 22 -5.312 5.711 -2.624 179 1HD1 LEU 22 1HD1 LEU 22 -4.212 3.964 -4.412 180 2HD1 LEU 22 2HD1 LEU 22 -5.181 3.512 -3.010 181 3HD1 LEU 22 3HD1 LEU 22 -3.422 3.500 -2.906 182 1HD2 LEU 22 1HD2 LEU 22 -2.486 6.068 -1.912 183 2HD2 LEU 22 2HD2 LEU 22 -3.277 4.681 -1.164 184 3HD2 LEU 22 3HD2 LEU 22 -3.942 6.300 -0.947 185 H ASN 23 H ASN 23 -7.092 6.044 -4.207 186 HA ASN 23 HA ASN 23 -8.144 8.318 -2.705 187 1HB ASN 23 1HB ASN 23 -9.341 6.495 -4.412 188 2HB ASN 23 1HB ASN 23 -9.841 5.937 -2.819 189 1HD2 ASN 23 1HD2 ASN 23 -11.504 7.012 -4.840 190 2HD2 ASN 23 2HD2 ASN 23 -12.210 8.455 -4.214 191 H GLU 24 H GLU 24 -9.141 8.022 -0.607 192 HA GLU 24 HA GLU 24 -7.420 6.859 1.229 193 1HB GLU 24 1HB GLU 24 -9.335 7.264 2.864 194 2HB GLU 24 1HB GLU 24 -8.704 8.660 2.001 195 1HG GLU 24 1HG GLU 24 -10.787 7.581 0.432 196 2HG GLU 24 1HG GLU 24 -11.365 7.657 2.096 197 H GLU 25 H GLU 25 -10.504 5.677 -0.036 198 HA GLU 25 HA GLU 25 -10.885 3.516 1.656 199 1HB GLU 25 1HB GLU 25 -12.485 4.348 -0.094 200 2HB GLU 25 1HB GLU 25 -11.506 3.530 -1.302 201 1HG GLU 25 1HG GLU 25 -11.915 1.481 0.352 202 2HG GLU 25 1HG GLU 25 -13.363 2.421 0.708 203 H GLN 26 H GLN 26 -9.686 3.122 -1.665 204 HA GLN 26 HA GLN 26 -8.669 0.595 -1.427 205 1HB GLN 26 1HB GLN 26 -6.877 1.478 -3.158 206 2HB GLN 26 1HB GLN 26 -8.568 1.306 -3.602 207 1HG GLN 26 1HG GLN 26 -8.083 3.912 -2.487 208 2HG GLN 26 1HG GLN 26 -6.970 3.582 -3.812 209 1HE2 GLN 26 1HE2 GLN 26 -7.877 2.951 -5.857 210 2HE2 GLN 26 2HE2 GLN 26 -9.446 3.516 -6.309 211 H ARG 27 H ARG 27 -7.057 3.613 -0.520 212 HA ARG 27 HA ARG 27 -4.547 2.470 0.071 213 1HB ARG 27 1HB ARG 27 -5.069 4.936 -0.187 214 2HB ARG 27 1HB ARG 27 -5.725 4.885 1.435 215 1HG ARG 27 1HG ARG 27 -3.558 4.166 2.303 216 2HG ARG 27 1HG ARG 27 -2.889 4.225 0.674 217 1HD ARG 27 1HD ARG 27 -2.582 6.235 2.335 218 2HD ARG 27 1HD ARG 27 -2.866 6.517 0.621 219 HE ARG 27 HE ARG 27 -4.921 7.412 1.133 220 1HH1 ARG 27 1HH1 ARG 27 -3.630 5.802 3.949 221 2HH1 ARG 27 2HH1 ARG 27 -4.836 6.436 5.017 222 1HH2 ARG 27 1HH2 ARG 27 -6.506 8.248 2.539 223 2HH2 ARG 27 2HH2 ARG 27 -6.469 7.823 4.217 224 H ASN 28 H ASN 28 -7.527 2.739 1.896 225 HA ASN 28 HA ASN 28 -6.360 1.983 4.396 226 1HB ASN 28 1HB ASN 28 -8.548 3.264 4.061 227 2HB ASN 28 1HB ASN 28 -9.272 1.714 3.642 228 1HD2 ASN 28 1HD2 ASN 28 -10.550 1.286 5.314 229 2HD2 ASN 28 2HD2 ASN 28 -10.045 1.216 6.965 230 H ALA 29 H ALA 29 -8.367 0.315 1.971 231 HA ALA 29 HA ALA 29 -8.342 -2.212 3.189 232 1HB ALA 29 1HB ALA 29 -9.542 -1.149 0.985 233 2HB ALA 29 2HB ALA 29 -9.540 -2.862 1.402 234 3HB ALA 29 3HB ALA 29 -8.356 -2.232 0.256 235 H PHE 30 H PHE 30 -6.077 -0.569 1.121 236 HA PHE 30 HA PHE 30 -4.429 -2.794 0.512 237 1HB PHE 30 1HB PHE 30 -4.185 0.171 0.282 238 2HB PHE 30 1HB PHE 30 -2.742 -0.813 0.106 239 HD1 PHE 30 HD1 PHE 30 -3.859 -3.167 -1.305 240 HD2 PHE 30 HD2 PHE 30 -4.573 0.991 -1.855 241 HE1 PHE 30 HE1 PHE 30 -4.434 -3.583 -3.658 242 HE2 PHE 30 HE2 PHE 30 -5.152 0.582 -4.211 243 HZ PHE 30 HZ PHE 30 -5.080 -1.710 -5.116 244 H ILE 31 H ILE 31 -3.957 -0.047 2.730 245 HA ILE 31 HA ILE 31 -1.598 -0.959 3.912 246 HB ILE 31 HB ILE 31 -3.787 0.722 5.140 247 1HG1 ILE 31 1HG1 ILE 31 -1.149 1.726 4.117 248 2HG1 ILE 31 1HG1 ILE 31 -2.487 1.465 3.003 249 1HG2 ILE 31 1HG2 ILE 31 -1.282 -0.307 6.229 250 2HG2 ILE 31 2HG2 ILE 31 -2.681 0.378 7.054 251 3HG2 ILE 31 3HG2 ILE 31 -1.451 1.443 6.373 252 1HD1 ILE 31 1HD1 ILE 31 -3.842 3.056 4.175 253 2HD1 ILE 31 2HD1 ILE 31 -2.284 3.793 3.800 254 3HD1 ILE 31 3HD1 ILE 31 -2.621 3.227 5.436 255 H GLN 32 H GLN 32 -4.988 -1.511 4.822 256 HA GLN 32 HA GLN 32 -4.432 -3.026 7.137 257 1HB GLN 32 1HB GLN 32 -6.663 -1.982 6.417 258 2HB GLN 32 1HB GLN 32 -6.865 -3.399 5.396 259 1HG GLN 32 1HG GLN 32 -7.941 -4.189 7.202 260 2HG GLN 32 1HG GLN 32 -6.308 -4.611 7.714 261 1HE2 GLN 32 1HE2 GLN 32 -6.691 -4.478 9.880 262 2HE2 GLN 32 2HE2 GLN 32 -7.036 -2.996 10.696 263 H SER 33 H SER 33 -5.288 -4.019 3.827 264 HA SER 33 HA SER 33 -5.107 -6.764 4.152 265 1HB SER 33 1HB SER 33 -5.956 -5.656 2.102 266 2HB SER 33 1HB SER 33 -4.306 -5.185 1.699 267 HG SER 33 HG SER 33 -4.732 -7.062 0.606 268 H LEU 34 H LEU 34 -2.612 -4.401 3.504 269 HA LEU 34 HA LEU 34 -0.455 -6.154 3.091 270 1HB LEU 34 1HB LEU 34 -0.765 -3.517 2.830 271 2HB LEU 34 1HB LEU 34 -0.026 -3.522 4.418 272 HG LEU 34 HG LEU 34 1.961 -4.560 3.571 273 1HD1 LEU 34 1HD1 LEU 34 0.218 -5.214 1.313 274 2HD1 LEU 34 2HD1 LEU 34 1.638 -6.055 1.934 275 3HD1 LEU 34 3HD1 LEU 34 1.834 -4.674 0.854 276 1HD2 LEU 34 1HD2 LEU 34 0.932 -2.226 2.002 277 2HD2 LEU 34 2HD2 LEU 34 2.549 -2.874 1.725 278 3HD2 LEU 34 3HD2 LEU 34 2.109 -2.251 3.315 279 H LYS 35 H LYS 35 -1.717 -4.555 5.977 280 HA LYS 35 HA LYS 35 0.225 -5.494 7.793 281 1HB LYS 35 1HB LYS 35 -1.245 -3.637 8.349 282 2HB LYS 35 1HB LYS 35 -2.657 -4.674 8.218 283 1HG LYS 35 1HG LYS 35 -2.182 -5.790 10.199 284 2HG LYS 35 1HG LYS 35 -0.490 -5.289 10.187 285 1HD LYS 35 1HD LYS 35 -1.619 -2.880 10.309 286 2HD LYS 35 1HD LYS 35 -2.908 -3.815 11.072 287 1HE LYS 35 1HE LYS 35 -1.710 -4.167 12.937 288 2HE LYS 35 1HE LYS 35 -0.222 -4.464 12.039 289 1HZ LYS 35 1HZ LYS 35 0.347 -2.515 12.990 290 2HZ LYS 35 2HZ LYS 35 -1.249 -1.983 13.162 291 3HZ LYS 35 3HZ LYS 35 -0.474 -1.859 11.664 292 H ASP 36 H ASP 36 -2.659 -6.905 6.427 293 HA ASP 36 HA ASP 36 -2.965 -9.008 8.304 294 1HB ASP 36 1HB ASP 36 -4.184 -8.179 5.797 295 2HB ASP 36 1HB ASP 36 -4.040 -9.930 5.910 296 H ASP 37 H ASP 37 -1.867 -9.205 4.907 297 HA ASP 37 HA ASP 37 -0.043 -11.369 5.721 298 1HB ASP 37 1HB ASP 37 -2.086 -12.178 4.488 299 2HB ASP 37 1HB ASP 37 -1.520 -11.266 3.092 300 HA PRO 38 HA PRO 38 2.571 -8.068 3.855 301 1HB PRO 38 1HB PRO 38 4.617 -9.688 5.262 302 2HB PRO 38 1HB PRO 38 4.341 -7.945 5.300 303 1HG PRO 38 1HG PRO 38 3.685 -9.475 7.380 304 2HG PRO 38 1HG PRO 38 2.660 -8.112 6.890 305 1HD PRO 38 1HD PRO 38 2.280 -11.042 6.404 306 2HD PRO 38 1HD PRO 38 1.079 -9.806 6.836 307 H SER 39 H SER 39 2.640 -11.529 3.703 308 HA SER 39 HA SER 39 4.834 -11.926 2.011 309 1HB SER 39 1HB SER 39 3.389 -13.649 3.296 310 2HB SER 39 1HB SER 39 2.364 -13.632 1.862 311 HG SER 39 HG SER 39 3.765 -15.122 1.280 312 H GLN 40 H GLN 40 1.796 -10.493 1.323 313 HA GLN 40 HA GLN 40 2.300 -10.818 -1.563 314 1HB GLN 40 1HB GLN 40 -0.304 -10.492 -0.076 315 2HB GLN 40 1HB GLN 40 -0.166 -10.341 -1.822 316 1HG GLN 40 1HG GLN 40 0.449 -12.607 -2.066 317 2HG GLN 40 1HG GLN 40 0.706 -12.797 -0.332 318 1HE2 GLN 40 1HE2 GLN 40 -1.086 -12.937 1.041 319 2HE2 GLN 40 2HE2 GLN 40 -2.656 -13.342 0.445 320 H SER 41 H SER 41 3.549 -8.794 -0.005 321 HA SER 41 HA SER 41 2.160 -6.339 -0.208 322 1HB SER 41 1HB SER 41 4.567 -5.389 0.032 323 2HB SER 41 1HB SER 41 3.886 -6.313 1.370 324 HG SER 41 HG SER 41 5.906 -7.000 -0.432 325 H ALA 42 H ALA 42 4.958 -7.533 -2.111 326 HA ALA 42 HA ALA 42 5.113 -5.547 -3.986 327 1HB ALA 42 1HB ALA 42 6.195 -7.083 -5.436 328 2HB ALA 42 2HB ALA 42 5.368 -8.459 -4.706 329 3HB ALA 42 3HB ALA 42 6.591 -7.579 -3.790 330 H ASN 43 H ASN 43 2.732 -8.130 -3.868 331 HA ASN 43 HA ASN 43 1.621 -7.576 -6.438 332 1HB ASN 43 1HB ASN 43 1.351 -9.755 -5.262 333 2HB ASN 43 1HB ASN 43 0.319 -8.957 -4.079 334 1HD2 ASN 43 1HD2 ASN 43 -0.323 -11.141 -5.857 335 2HD2 ASN 43 2HD2 ASN 43 -1.643 -10.607 -6.836 336 H LEU 44 H LEU 44 0.928 -6.614 -3.140 337 HA LEU 44 HA LEU 44 -1.440 -5.143 -3.693 338 1HB LEU 44 1HB LEU 44 -0.930 -6.045 -1.485 339 2HB LEU 44 1HB LEU 44 0.480 -5.015 -1.372 340 HG LEU 44 HG LEU 44 -1.999 -3.541 -1.860 341 1HD1 LEU 44 1HD1 LEU 44 -2.798 -3.787 0.464 342 2HD1 LEU 44 2HD1 LEU 44 -1.663 -5.115 0.686 343 3HD1 LEU 44 3HD1 LEU 44 -2.972 -5.260 -0.486 344 1HD2 LEU 44 1HD2 LEU 44 0.495 -3.318 -0.300 345 2HD2 LEU 44 2HD2 LEU 44 -0.924 -2.517 0.375 346 3HD2 LEU 44 3HD2 LEU 44 -0.367 -2.105 -1.247 347 H LEU 45 H LEU 45 1.892 -4.526 -3.984 348 HA LEU 45 HA LEU 45 1.800 -1.657 -3.858 349 1HB LEU 45 1HB LEU 45 3.801 -3.418 -3.608 350 2HB LEU 45 1HB LEU 45 3.949 -3.111 -5.318 351 HG LEU 45 HG LEU 45 4.330 -0.758 -4.937 352 1HD1 LEU 45 1HD1 LEU 45 4.640 -0.022 -2.508 353 2HD1 LEU 45 2HD1 LEU 45 3.697 -1.452 -2.089 354 3HD1 LEU 45 3HD1 LEU 45 2.991 -0.198 -3.107 355 1HD2 LEU 45 1HD2 LEU 45 6.263 -2.238 -4.843 356 2HD2 LEU 45 2HD2 LEU 45 6.018 -2.466 -3.112 357 3HD2 LEU 45 3HD2 LEU 45 6.459 -0.877 -3.738 358 H ALA 46 H ALA 46 2.421 -4.043 -6.352 359 HA ALA 46 HA ALA 46 2.235 -2.328 -8.563 360 1HB ALA 46 1HB ALA 46 3.187 -4.502 -8.853 361 2HB ALA 46 2HB ALA 46 1.740 -4.420 -9.857 362 3HB ALA 46 3HB ALA 46 1.699 -5.287 -8.322 363 H GLU 47 H GLU 47 -0.182 -3.974 -6.657 364 HA GLU 47 HA GLU 47 -2.363 -3.490 -8.445 365 1HB GLU 47 1HB GLU 47 -2.006 -4.608 -5.750 366 2HB GLU 47 1HB GLU 47 -3.545 -3.795 -5.997 367 1HG GLU 47 1HG GLU 47 -3.849 -5.210 -8.045 368 2HG GLU 47 1HG GLU 47 -2.429 -6.122 -7.535 369 H ALA 48 H ALA 48 -1.394 -1.987 -5.386 370 HA ALA 48 HA ALA 48 -3.342 0.055 -5.455 371 1HB ALA 48 1HB ALA 48 -2.108 -0.632 -3.416 372 2HB ALA 48 2HB ALA 48 -2.069 1.109 -3.698 373 3HB ALA 48 3HB ALA 48 -0.659 0.122 -4.082 374 H LYS 49 H LYS 49 -0.305 -0.381 -7.025 375 HA LYS 49 HA LYS 49 0.146 2.355 -7.670 376 1HB LYS 49 1HB LYS 49 1.994 0.747 -7.617 377 2HB LYS 49 1HB LYS 49 1.234 -0.186 -8.897 378 1HG LYS 49 1HG LYS 49 1.457 2.408 -9.909 379 2HG LYS 49 1HG LYS 49 2.982 2.088 -9.081 380 1HD LYS 49 1HD LYS 49 3.624 0.563 -10.604 381 2HD LYS 49 1HD LYS 49 2.009 -0.138 -10.723 382 1HE LYS 49 1HE LYS 49 1.305 1.530 -12.256 383 2HE LYS 49 1HE LYS 49 2.741 2.508 -11.957 384 1HZ LYS 49 1HZ LYS 49 3.942 1.317 -13.399 385 2HZ LYS 49 2HZ LYS 49 2.453 0.794 -14.007 386 3HZ LYS 49 3HZ LYS 49 3.295 -0.165 -12.897 387 H LYS 50 H LYS 50 -1.225 -0.453 -9.385 388 HA LYS 50 HA LYS 50 -1.753 0.928 -11.801 389 1HB LYS 50 1HB LYS 50 -2.938 -1.560 -10.569 390 2HB LYS 50 1HB LYS 50 -3.457 -0.947 -12.132 391 1HG LYS 50 1HG LYS 50 -0.768 -2.030 -11.359 392 2HG LYS 50 1HG LYS 50 -1.882 -2.627 -12.588 393 1HD LYS 50 1HD LYS 50 -1.533 -0.469 -13.818 394 2HD LYS 50 1HD LYS 50 -0.262 -0.088 -12.654 395 1HE LYS 50 1HE LYS 50 0.669 -1.049 -14.696 396 2HE LYS 50 1HE LYS 50 0.953 -2.098 -13.308 397 1HZ LYS 50 1HZ LYS 50 -0.802 -3.531 -14.005 398 2HZ LYS 50 2HZ LYS 50 0.212 -3.282 -15.335 399 3HZ LYS 50 3HZ LYS 50 -1.269 -2.472 -15.239 400 H LEU 51 H LEU 51 -3.534 0.444 -8.827 401 HA LEU 51 HA LEU 51 -5.974 1.551 -9.729 402 1HB LEU 51 1HB LEU 51 -4.821 1.122 -6.982 403 2HB LEU 51 1HB LEU 51 -6.399 1.846 -7.228 404 HG LEU 51 HG LEU 51 -5.540 -0.955 -7.940 405 1HD1 LEU 51 1HD1 LEU 51 -6.430 -0.028 -5.580 406 2HD1 LEU 51 2HD1 LEU 51 -6.756 -1.655 -6.177 407 3HD1 LEU 51 3HD1 LEU 51 -7.967 -0.387 -6.368 408 1HD2 LEU 51 1HD2 LEU 51 -8.137 -0.989 -8.509 409 2HD2 LEU 51 2HD2 LEU 51 -6.911 -0.618 -9.721 410 3HD2 LEU 51 3HD2 LEU 51 -7.798 0.688 -8.935 411 H ASN 52 H ASN 52 -3.285 2.909 -7.856 412 HA ASN 52 HA ASN 52 -4.230 5.457 -7.467 413 1HB ASN 52 1HB ASN 52 -2.181 4.579 -6.462 414 2HB ASN 52 1HB ASN 52 -1.458 4.697 -8.020 415 1HD2 ASN 52 1HD2 ASN 52 -0.788 6.635 -8.808 416 2HD2 ASN 52 2HD2 ASN 52 -0.751 8.044 -7.827 417 H ASP 53 H ASP 53 -2.297 4.222 -10.079 418 HA ASP 53 HA ASP 53 -2.227 6.595 -11.614 419 1HB ASP 53 1HB ASP 53 -2.010 3.737 -12.580 420 2HB ASP 53 1HB ASP 53 -1.453 5.172 -13.437 421 H ALA 54 H ALA 54 -4.460 3.912 -11.475 422 HA ALA 54 HA ALA 54 -5.932 4.452 -13.800 423 1HB ALA 54 1HB ALA 54 -6.426 2.379 -13.047 424 2HB ALA 54 2HB ALA 54 -7.775 3.242 -12.308 425 3HB ALA 54 3HB ALA 54 -6.347 2.853 -11.350 426 H GLN 55 H GLN 55 -6.101 5.886 -10.596 427 HA GLN 55 HA GLN 55 -8.558 7.288 -11.347 428 1HB GLN 55 1HB GLN 55 -7.353 7.822 -8.696 429 2HB GLN 55 1HB GLN 55 -9.037 7.618 -9.145 430 1HG GLN 55 1HG GLN 55 -9.034 5.504 -8.478 431 2HG GLN 55 1HG GLN 55 -7.586 5.135 -9.405 432 1HE2 GLN 55 1HE2 GLN 55 -6.966 3.788 -7.695 433 2HE2 GLN 55 2HE2 GLN 55 -6.220 4.448 -6.301 434 H ALA 56 H ALA 56 -5.706 7.820 -12.313 435 HA ALA 56 HA ALA 56 -4.962 10.354 -11.263 436 1HB ALA 56 1HB ALA 56 -3.205 10.291 -12.723 437 2HB ALA 56 2HB ALA 56 -4.158 9.556 -14.013 438 3HB ALA 56 3HB ALA 56 -3.605 8.575 -12.655 439 HA PRO 57 HA PRO 57 -7.419 13.397 -13.268 440 1HB PRO 57 1HB PRO 57 -4.939 14.371 -14.616 441 2HB PRO 57 1HB PRO 57 -6.144 15.274 -13.691 442 1HG PRO 57 1HG PRO 57 -3.787 14.671 -12.615 443 2HG PRO 57 1HG PRO 57 -5.272 14.606 -11.648 444 1HD PRO 57 1HD PRO 57 -3.649 12.380 -12.784 445 2HD PRO 57 1HD PRO 57 -4.581 12.444 -11.275 446 H LYS 58 H LYS 58 -8.661 13.374 -15.042 447 HA LYS 58 HA LYS 58 -7.949 11.653 -17.239 448 1HB LYS 58 1HB LYS 58 -10.380 13.427 -17.077 449 2HB LYS 58 1HB LYS 58 -10.183 11.940 -17.994 450 1HG LYS 58 1HG LYS 58 -10.178 12.079 -14.988 451 2HG LYS 58 1HG LYS 58 -11.601 11.718 -15.968 452 1HD LYS 58 1HD LYS 58 -10.379 9.790 -16.942 453 2HD LYS 58 1HD LYS 58 -9.043 10.123 -15.838 454 1HE LYS 58 1HE LYS 58 -11.862 9.585 -14.926 455 2HE LYS 58 1HE LYS 58 -10.638 8.327 -15.093 456 1HZ LYS 58 1HZ LYS 58 -11.054 9.645 -12.839 457 2HZ LYS 58 2HZ LYS 58 -9.892 10.663 -13.525 458 3HZ LYS 58 3HZ LYS 58 -9.538 9.029 -13.270 Start of MODEL 10 1 1H VAL 1 1HT VAL 1 6.135 -9.758 19.947 2 2H VAL 1 2HT VAL 1 7.133 -9.618 18.558 3 3H VAL 1 3HT VAL 1 5.994 -10.897 18.674 4 HA VAL 1 HA VAL 1 4.867 -9.532 17.350 5 HB VAL 1 HB VAL 1 4.215 -8.302 20.032 6 1HG1 VAL 1 1HG1 VAL 1 1.870 -8.513 18.741 7 2HG1 VAL 1 2HG1 VAL 1 2.950 -8.285 17.365 8 3HG1 VAL 1 3HG1 VAL 1 2.899 -7.084 18.656 9 1HG2 VAL 1 1HG2 VAL 1 3.098 -10.156 20.672 10 2HG2 VAL 1 2HG2 VAL 1 4.234 -10.961 19.591 11 3HG2 VAL 1 3HG2 VAL 1 2.612 -10.562 19.026 12 H ASP 2 H ASP 2 6.973 -7.768 19.508 13 HA ASP 2 HA ASP 2 6.517 -5.169 18.571 14 1HB ASP 2 1HB ASP 2 7.808 -5.693 20.614 15 2HB ASP 2 1HB ASP 2 9.105 -6.342 19.616 16 H ASN 3 H ASN 3 8.384 -7.811 17.269 17 HA ASN 3 HA ASN 3 9.607 -6.113 15.241 18 1HB ASN 3 1HB ASN 3 10.777 -8.187 14.553 19 2HB ASN 3 1HB ASN 3 11.024 -7.803 16.253 20 1HD2 ASN 3 1HD2 ASN 3 10.379 -10.226 14.150 21 2HD2 ASN 3 2HD2 ASN 3 9.629 -11.355 15.222 22 H LYS 4 H LYS 4 7.208 -5.728 14.601 23 HA LYS 4 HA LYS 4 5.810 -7.738 13.190 24 1HB LYS 4 1HB LYS 4 5.604 -4.737 12.861 25 2HB LYS 4 1HB LYS 4 4.400 -5.923 12.376 26 1HG LYS 4 1HG LYS 4 3.906 -6.467 14.637 27 2HG LYS 4 1HG LYS 4 5.285 -5.534 15.223 28 1HD LYS 4 1HD LYS 4 3.079 -4.242 13.651 29 2HD LYS 4 1HD LYS 4 2.944 -4.481 15.394 30 1HE LYS 4 1HE LYS 4 5.136 -3.278 15.626 31 2HE LYS 4 1HE LYS 4 5.026 -2.886 13.911 32 1HZ LYS 4 1HZ LYS 4 2.901 -1.773 14.379 33 2HZ LYS 4 2HZ LYS 4 4.191 -1.068 15.215 34 3HZ LYS 4 3HZ LYS 4 3.108 -2.079 16.030 35 H PHE 5 H PHE 5 5.713 -5.338 10.963 36 HA PHE 5 HA PHE 5 7.085 -6.841 8.979 37 1HB PHE 5 1HB PHE 5 6.047 -4.003 8.904 38 2HB PHE 5 1HB PHE 5 6.553 -4.948 7.507 39 HD1 PHE 5 HD1 PHE 5 3.915 -4.337 9.919 40 HD2 PHE 5 HD2 PHE 5 5.238 -6.885 6.781 41 HE1 PHE 5 HE1 PHE 5 1.641 -5.250 9.707 42 HE2 PHE 5 HE2 PHE 5 2.962 -7.795 6.560 43 HZ PHE 5 HZ PHE 5 1.167 -6.983 8.025 44 H ASN 6 H ASN 6 8.502 -5.135 7.431 45 HA ASN 6 HA ASN 6 10.426 -3.733 9.077 46 1HB ASN 6 1HB ASN 6 11.291 -5.998 9.167 47 2HB ASN 6 1HB ASN 6 11.241 -6.121 7.412 48 1HD2 ASN 6 1HD2 ASN 6 13.565 -6.715 8.212 49 2HD2 ASN 6 2HD2 ASN 6 14.707 -5.423 8.115 50 H LYS 7 H LYS 7 11.602 -4.835 6.019 51 HA LYS 7 HA LYS 7 11.445 -2.119 5.028 52 1HB LYS 7 1HB LYS 7 13.044 -2.832 3.351 53 2HB LYS 7 1HB LYS 7 13.573 -3.313 4.955 54 1HG LYS 7 1HG LYS 7 12.056 -5.283 3.332 55 2HG LYS 7 1HG LYS 7 13.728 -4.944 2.899 56 1HD LYS 7 1HD LYS 7 14.439 -6.255 4.545 57 2HD LYS 7 1HD LYS 7 13.577 -5.268 5.726 58 1HE LYS 7 1HE LYS 7 12.362 -7.104 6.121 59 2HE LYS 7 1HE LYS 7 11.562 -6.745 4.593 60 1HZ LYS 7 1HZ LYS 7 13.878 -8.560 4.985 61 2HZ LYS 7 2HZ LYS 7 13.214 -8.161 3.482 62 3HZ LYS 7 3HZ LYS 7 12.292 -9.017 4.612 63 H GLU 8 H GLU 8 10.324 -5.331 4.038 64 HA GLU 8 HA GLU 8 9.359 -4.625 1.512 65 1HB GLU 8 1HB GLU 8 8.277 -6.750 3.360 66 2HB GLU 8 1HB GLU 8 8.022 -6.654 1.623 67 1HG GLU 8 1HG GLU 8 10.826 -6.687 2.535 68 2HG GLU 8 1HG GLU 8 9.905 -8.175 2.752 69 H GLN 9 H GLN 9 7.658 -4.651 4.634 70 HA GLN 9 HA GLN 9 5.227 -3.738 3.430 71 1HB GLN 9 1HB GLN 9 5.507 -5.171 5.563 72 2HB GLN 9 1HB GLN 9 5.790 -3.635 6.371 73 1HG GLN 9 1HG GLN 9 3.409 -3.677 4.674 74 2HG GLN 9 1HG GLN 9 3.359 -4.798 6.032 75 1HE2 GLN 9 1HE2 GLN 9 1.978 -3.831 7.348 76 2HE2 GLN 9 2HE2 GLN 9 2.184 -2.252 8.004 77 H GLN 10 H GLN 10 7.996 -2.210 4.894 78 HA GLN 10 HA GLN 10 6.599 0.286 5.246 79 1HB GLN 10 1HB GLN 10 9.441 -0.568 5.738 80 2HB GLN 10 1HB GLN 10 8.935 1.109 5.881 81 1HG GLN 10 1HG GLN 10 7.300 -0.841 7.355 82 2HG GLN 10 1HG GLN 10 8.954 -0.638 7.924 83 1HE2 GLN 10 1HE2 GLN 10 6.661 0.022 9.375 84 2HE2 GLN 10 2HE2 GLN 10 6.658 1.726 9.623 85 H ASN 11 H ASN 11 8.435 -1.254 2.759 86 HA ASN 11 HA ASN 11 9.108 1.246 1.445 87 1HB ASN 11 1HB ASN 11 10.317 -1.124 1.260 88 2HB ASN 11 1HB ASN 11 9.112 -1.381 0.005 89 1HD2 ASN 11 1HD2 ASN 11 11.159 -1.560 -1.224 90 2HD2 ASN 11 2HD2 ASN 11 11.790 -0.114 -1.916 91 H ALA 12 H ALA 12 6.739 -1.330 1.326 92 HA ALA 12 HA ALA 12 5.325 -0.282 -0.932 93 1HB ALA 12 1HB ALA 12 3.626 -1.939 -0.389 94 2HB ALA 12 2HB ALA 12 4.399 -2.247 1.166 95 3HB ALA 12 3HB ALA 12 5.231 -2.668 -0.331 96 H PHE 13 H PHE 13 5.116 -0.035 2.578 97 HA PHE 13 HA PHE 13 2.647 1.293 2.707 98 1HB PHE 13 1HB PHE 13 3.915 0.188 4.605 99 2HB PHE 13 1HB PHE 13 4.900 1.649 4.662 100 HD1 PHE 13 HD1 PHE 13 3.769 3.831 5.064 101 HD2 PHE 13 HD2 PHE 13 1.838 0.091 5.600 102 HE1 PHE 13 HE1 PHE 13 2.050 4.925 6.456 103 HE2 PHE 13 HE2 PHE 13 0.116 1.166 6.993 104 HZ PHE 13 HZ PHE 13 0.217 3.591 7.416 105 H TYR 14 H TYR 14 5.961 2.521 2.675 106 HA TYR 14 HA TYR 14 5.227 5.259 2.749 107 1HB TYR 14 1HB TYR 14 7.681 3.710 2.407 108 2HB TYR 14 1HB TYR 14 7.666 5.167 1.421 109 HD1 TYR 14 HD1 TYR 14 6.432 4.398 4.868 110 HD2 TYR 14 HD2 TYR 14 8.931 6.815 2.417 111 HE1 TYR 14 HE1 TYR 14 7.065 5.728 6.837 112 HE2 TYR 14 HE2 TYR 14 9.572 8.152 4.379 113 HH TYR 14 HH TYR 14 8.733 8.697 6.590 114 H GLU 15 H GLU 15 5.920 2.992 0.118 115 HA GLU 15 HA GLU 15 5.727 4.824 -2.001 116 1HB GLU 15 1HB GLU 15 5.545 1.878 -1.704 117 2HB GLU 15 1HB GLU 15 4.814 2.558 -3.152 118 1HG GLU 15 1HG GLU 15 7.119 3.816 -3.318 119 2HG GLU 15 1HG GLU 15 7.665 2.464 -2.327 120 H ILE 16 H ILE 16 3.351 3.113 -0.119 121 HA ILE 16 HA ILE 16 1.113 3.735 -1.765 122 HB ILE 16 HB ILE 16 1.637 2.358 0.781 123 1HG1 ILE 16 1HG1 ILE 16 1.284 1.242 -1.421 124 2HG1 ILE 16 1HG1 ILE 16 0.193 0.677 -0.160 125 1HG2 ILE 16 1HG2 ILE 16 -0.914 2.341 1.236 126 2HG2 ILE 16 2HG2 ILE 16 -0.915 3.859 0.340 127 3HG2 ILE 16 3HG2 ILE 16 0.052 3.701 1.808 128 1HD1 ILE 16 1HD1 ILE 16 -0.376 2.124 -2.654 129 2HD1 ILE 16 2HD1 ILE 16 -1.321 2.607 -1.246 130 3HD1 ILE 16 3HD1 ILE 16 -1.336 0.928 -1.785 131 H LEU 17 H LEU 17 2.503 5.013 1.217 132 HA LEU 17 HA LEU 17 0.485 6.896 1.781 133 1HB LEU 17 1HB LEU 17 3.233 6.352 2.687 134 2HB LEU 17 1HB LEU 17 2.713 8.016 2.866 135 HG LEU 17 HG LEU 17 1.472 5.567 4.105 136 1HD1 LEU 17 1HD1 LEU 17 3.002 7.933 5.117 137 2HD1 LEU 17 2HD1 LEU 17 3.271 6.217 5.423 138 3HD1 LEU 17 3HD1 LEU 17 1.904 7.042 6.171 139 1HD2 LEU 17 1HD2 LEU 17 0.319 8.214 3.540 140 2HD2 LEU 17 2HD2 LEU 17 0.128 7.645 5.198 141 3HD2 LEU 17 3HD2 LEU 17 -0.475 6.672 3.857 142 H HIS 18 H HIS 18 2.945 6.861 -0.605 143 HA HIS 18 HA HIS 18 2.903 9.767 -0.879 144 1HB HIS 18 1HB HIS 18 5.053 8.484 -0.888 145 2HB HIS 18 1HB HIS 18 4.565 7.784 -2.427 146 HD1 HIS 18 HD1 HIS 18 4.784 11.343 -1.062 147 HD2 HIS 18 HD2 HIS 18 5.727 9.129 -4.450 148 HE1 HIS 18 HE1 HIS 18 5.847 12.972 -2.656 149 HE2 HIS 18 HE2 HIS 18 6.490 11.591 -4.662 150 H LEU 19 H LEU 19 0.952 7.377 -2.077 151 HA LEU 19 HA LEU 19 0.953 8.158 -4.829 152 1HB LEU 19 1HB LEU 19 -1.474 6.877 -3.700 153 2HB LEU 19 1HB LEU 19 -0.652 6.596 -5.201 154 HG LEU 19 HG LEU 19 0.821 5.742 -2.826 155 1HD1 LEU 19 1HD1 LEU 19 -0.649 4.294 -1.985 156 2HD1 LEU 19 2HD1 LEU 19 -1.060 3.692 -3.589 157 3HD1 LEU 19 3HD1 LEU 19 -1.882 5.110 -2.941 158 1HD2 LEU 19 1HD2 LEU 19 0.186 4.349 -5.414 159 2HD2 LEU 19 2HD2 LEU 19 1.441 3.921 -4.251 160 3HD2 LEU 19 3HD2 LEU 19 1.569 5.418 -5.174 161 HA PRO 20 HA PRO 20 -1.436 11.855 -3.880 162 1HB PRO 20 1HB PRO 20 -1.119 13.086 -6.230 163 2HB PRO 20 1HB PRO 20 0.209 12.938 -5.073 164 1HG PRO 20 1HG PRO 20 -0.356 11.310 -7.523 165 2HG PRO 20 1HG PRO 20 1.186 11.978 -6.957 166 1HD PRO 20 1HD PRO 20 0.425 9.382 -6.562 167 2HD PRO 20 1HD PRO 20 1.532 10.256 -5.486 168 H ASN 21 H ASN 21 -2.126 9.566 -6.420 169 HA ASN 21 HA ASN 21 -4.734 10.833 -6.840 170 1HB ASN 21 1HB ASN 21 -3.735 8.620 -8.588 171 2HB ASN 21 1HB ASN 21 -4.821 9.943 -8.986 172 1HD2 ASN 21 1HD2 ASN 21 -2.252 8.827 -10.075 173 2HD2 ASN 21 2HD2 ASN 21 -1.259 10.213 -10.279 174 H LEU 22 H LEU 22 -4.079 9.187 -4.556 175 HA LEU 22 HA LEU 22 -5.871 6.907 -5.017 176 1HB LEU 22 1HB LEU 22 -3.333 6.923 -3.965 177 2HB LEU 22 1HB LEU 22 -4.346 6.891 -2.532 178 HG LEU 22 HG LEU 22 -5.507 5.020 -4.185 179 1HD1 LEU 22 1HD1 LEU 22 -3.232 3.594 -4.420 180 2HD1 LEU 22 2HD1 LEU 22 -2.630 5.217 -4.759 181 3HD1 LEU 22 3HD1 LEU 22 -3.940 4.543 -5.728 182 1HD2 LEU 22 1HD2 LEU 22 -3.678 4.878 -1.828 183 2HD2 LEU 22 2HD2 LEU 22 -4.260 3.401 -2.594 184 3HD2 LEU 22 3HD2 LEU 22 -5.409 4.557 -1.921 185 H ASN 23 H ASN 23 -7.389 6.349 -3.413 186 HA ASN 23 HA ASN 23 -8.345 8.689 -1.907 187 1HB ASN 23 1HB ASN 23 -10.512 7.351 -1.804 188 2HB ASN 23 1HB ASN 23 -10.036 7.932 -3.396 189 1HD2 ASN 23 1HD2 ASN 23 -11.577 5.555 -2.194 190 2HD2 ASN 23 2HD2 ASN 23 -10.978 4.214 -3.096 191 H GLU 24 H GLU 24 -9.134 8.421 0.242 192 HA GLU 24 HA GLU 24 -7.459 7.050 1.943 193 1HB GLU 24 1HB GLU 24 -9.354 8.927 2.283 194 2HB GLU 24 1HB GLU 24 -10.209 7.528 2.919 195 1HG GLU 24 1HG GLU 24 -8.878 7.364 4.735 196 2HG GLU 24 1HG GLU 24 -7.445 7.923 3.873 197 H GLU 25 H GLU 25 -10.648 6.093 0.760 198 HA GLU 25 HA GLU 25 -10.958 3.787 2.312 199 1HB GLU 25 1HB GLU 25 -12.638 5.000 0.751 200 2HB GLU 25 1HB GLU 25 -11.976 3.966 -0.508 201 1HG GLU 25 1HG GLU 25 -13.014 2.823 2.057 202 2HG GLU 25 1HG GLU 25 -14.091 3.202 0.713 203 H GLN 26 H GLN 26 -9.600 4.163 -0.948 204 HA GLN 26 HA GLN 26 -8.954 1.417 -1.244 205 1HB GLN 26 1HB GLN 26 -9.215 3.299 -3.043 206 2HB GLN 26 1HB GLN 26 -7.506 3.574 -2.734 207 1HG GLN 26 1HG GLN 26 -6.878 1.713 -3.812 208 2HG GLN 26 1HG GLN 26 -8.235 0.772 -3.194 209 1HE2 GLN 26 1HE2 GLN 26 -7.013 2.648 -5.787 210 2HE2 GLN 26 2HE2 GLN 26 -8.358 2.460 -6.855 211 H ARG 27 H ARG 27 -6.980 4.278 -0.463 212 HA ARG 27 HA ARG 27 -4.540 2.932 -0.192 213 1HB ARG 27 1HB ARG 27 -5.195 5.499 -0.204 214 2HB ARG 27 1HB ARG 27 -5.174 5.280 1.536 215 1HG ARG 27 1HG ARG 27 -2.849 4.380 -0.109 216 2HG ARG 27 1HG ARG 27 -3.038 6.085 0.298 217 1HD ARG 27 1HD ARG 27 -2.691 3.749 2.158 218 2HD ARG 27 1HD ARG 27 -1.645 5.156 1.964 219 HE ARG 27 HE ARG 27 -4.034 4.970 3.558 220 1HH1 ARG 27 1HH1 ARG 27 -1.865 7.133 1.885 221 2HH1 ARG 27 2HH1 ARG 27 -2.284 8.504 2.855 222 1HH2 ARG 27 1HH2 ARG 27 -4.587 6.773 4.834 223 2HH2 ARG 27 2HH2 ARG 27 -3.829 8.301 4.530 224 H ASN 28 H ASN 28 -7.241 3.370 1.995 225 HA ASN 28 HA ASN 28 -5.890 2.483 4.336 226 1HB ASN 28 1HB ASN 28 -7.950 3.839 4.432 227 2HB ASN 28 1HB ASN 28 -8.855 2.505 3.724 228 1HD2 ASN 28 1HD2 ASN 28 -10.210 2.242 5.456 229 2HD2 ASN 28 2HD2 ASN 28 -9.683 1.631 6.983 230 H ALA 29 H ALA 29 -8.115 0.896 2.036 231 HA ALA 29 HA ALA 29 -8.162 -1.621 3.242 232 1HB ALA 29 1HB ALA 29 -8.301 -2.216 0.567 233 2HB ALA 29 2HB ALA 29 -8.811 -0.528 0.606 234 3HB ALA 29 3HB ALA 29 -9.664 -1.730 1.576 235 H PHE 30 H PHE 30 -5.906 -0.236 0.923 236 HA PHE 30 HA PHE 30 -4.304 -2.501 0.497 237 1HB PHE 30 1HB PHE 30 -3.902 0.447 0.236 238 2HB PHE 30 1HB PHE 30 -2.510 -0.616 0.112 239 HD1 PHE 30 HD1 PHE 30 -3.632 -2.919 -1.306 240 HD2 PHE 30 HD2 PHE 30 -4.277 1.243 -1.907 241 HE1 PHE 30 HE1 PHE 30 -4.163 -3.350 -3.666 242 HE2 PHE 30 HE2 PHE 30 -4.814 0.820 -4.272 243 HZ PHE 30 HZ PHE 30 -4.754 -1.483 -5.153 244 H ILE 31 H ILE 31 -3.788 0.253 2.691 245 HA ILE 31 HA ILE 31 -1.496 -0.644 3.951 246 HB ILE 31 HB ILE 31 -3.791 0.994 5.013 247 1HG1 ILE 31 1HG1 ILE 31 -2.495 2.068 3.272 248 2HG1 ILE 31 1HG1 ILE 31 -2.123 2.831 4.813 249 1HG2 ILE 31 1HG2 ILE 31 -1.856 1.634 6.726 250 2HG2 ILE 31 2HG2 ILE 31 -1.406 -0.045 6.430 251 3HG2 ILE 31 3HG2 ILE 31 -3.013 0.342 7.045 252 1HD1 ILE 31 1HD1 ILE 31 -0.248 0.794 4.544 253 2HD1 ILE 31 2HD1 ILE 31 0.015 2.525 4.339 254 3HD1 ILE 31 3HD1 ILE 31 -0.379 1.521 2.944 255 H GLN 32 H GLN 32 -4.873 -1.481 4.581 256 HA GLN 32 HA GLN 32 -4.307 -3.030 6.896 257 1HB GLN 32 1HB GLN 32 -6.571 -2.006 6.060 258 2HB GLN 32 1HB GLN 32 -6.716 -3.517 5.173 259 1HG GLN 32 1HG GLN 32 -7.895 -3.790 7.196 260 2HG GLN 32 1HG GLN 32 -6.403 -4.717 7.348 261 1HE2 GLN 32 1HE2 GLN 32 -7.910 -3.946 9.536 262 2HE2 GLN 32 2HE2 GLN 32 -7.014 -2.795 10.460 263 H SER 33 H SER 33 -4.400 -3.633 3.469 264 HA SER 33 HA SER 33 -4.433 -6.471 3.607 265 1HB SER 33 1HB SER 33 -4.850 -4.811 1.575 266 2HB SER 33 1HB SER 33 -3.129 -5.078 1.311 267 HG SER 33 HG SER 33 -3.698 -7.393 1.445 268 H LEU 34 H LEU 34 -1.858 -4.080 3.262 269 HA LEU 34 HA LEU 34 0.242 -5.992 3.201 270 1HB LEU 34 1HB LEU 34 1.713 -4.006 3.669 271 2HB LEU 34 1HB LEU 34 0.726 -3.896 2.226 272 HG LEU 34 HG LEU 34 -0.909 -2.611 3.885 273 1HD1 LEU 34 1HD1 LEU 34 0.144 -1.419 5.593 274 2HD1 LEU 34 2HD1 LEU 34 1.757 -1.814 4.999 275 3HD1 LEU 34 3HD1 LEU 34 0.771 -3.058 5.765 276 1HD2 LEU 34 1HD2 LEU 34 0.653 -0.534 3.258 277 2HD2 LEU 34 2HD2 LEU 34 -0.361 -1.364 2.076 278 3HD2 LEU 34 3HD2 LEU 34 1.356 -1.751 2.193 279 H LYS 35 H LYS 35 -1.460 -4.259 5.709 280 HA LYS 35 HA LYS 35 0.395 -4.973 7.772 281 1HB LYS 35 1HB LYS 35 -0.867 -3.697 9.195 282 2HB LYS 35 1HB LYS 35 -1.310 -2.963 7.664 283 1HG LYS 35 1HG LYS 35 -3.362 -3.200 8.637 284 2HG LYS 35 1HG LYS 35 -3.256 -4.714 7.740 285 1HD LYS 35 1HD LYS 35 -2.068 -5.380 10.105 286 2HD LYS 35 1HD LYS 35 -3.305 -4.236 10.629 287 1HE LYS 35 1HE LYS 35 -4.548 -5.904 8.749 288 2HE LYS 35 1HE LYS 35 -3.585 -6.968 9.773 289 1HZ LYS 35 1HZ LYS 35 -6.040 -6.121 10.388 290 2HZ LYS 35 2HZ LYS 35 -5.113 -4.950 11.182 291 3HZ LYS 35 3HZ LYS 35 -4.891 -6.588 11.539 292 H ASP 36 H ASP 36 -2.349 -6.406 6.246 293 HA ASP 36 HA ASP 36 -2.832 -8.298 8.383 294 1HB ASP 36 1HB ASP 36 -4.662 -7.433 6.921 295 2HB ASP 36 1HB ASP 36 -3.932 -8.286 5.565 296 H ASP 37 H ASP 37 -1.420 -8.319 5.129 297 HA ASP 37 HA ASP 37 0.028 -10.764 5.823 298 1HB ASP 37 1HB ASP 37 -1.965 -11.477 4.575 299 2HB ASP 37 1HB ASP 37 -1.518 -10.403 3.254 300 HA PRO 38 HA PRO 38 3.119 -8.161 3.833 301 1HB PRO 38 1HB PRO 38 5.219 -9.745 4.815 302 2HB PRO 38 1HB PRO 38 4.567 -8.290 5.564 303 1HG PRO 38 1HG PRO 38 4.411 -10.936 6.544 304 2HG PRO 38 1HG PRO 38 3.594 -9.509 7.195 305 1HD PRO 38 1HD PRO 38 2.535 -11.678 5.487 306 2HD PRO 38 1HD PRO 38 1.686 -10.607 6.618 307 H SER 39 H SER 39 2.876 -11.628 3.574 308 HA SER 39 HA SER 39 4.889 -12.105 1.695 309 1HB SER 39 1HB SER 39 2.298 -13.557 2.235 310 2HB SER 39 1HB SER 39 3.531 -14.154 1.124 311 HG SER 39 HG SER 39 3.515 -14.793 3.513 312 H GLN 40 H GLN 40 1.984 -10.367 1.273 313 HA GLN 40 HA GLN 40 2.259 -10.662 -1.645 314 1HB GLN 40 1HB GLN 40 -0.248 -10.369 0.001 315 2HB GLN 40 1HB GLN 40 -0.212 -10.114 -1.739 316 1HG GLN 40 1HG GLN 40 -0.069 -12.312 -2.196 317 2HG GLN 40 1HG GLN 40 0.948 -12.648 -0.796 318 1HE2 GLN 40 1HE2 GLN 40 -0.110 -14.306 0.113 319 2HE2 GLN 40 2HE2 GLN 40 -1.744 -14.245 0.673 320 H SER 41 H SER 41 3.572 -8.698 0.027 321 HA SER 41 HA SER 41 2.217 -6.214 -0.115 322 1HB SER 41 1HB SER 41 4.419 -7.056 1.206 323 2HB SER 41 1HB SER 41 5.179 -6.189 -0.128 324 HG SER 41 HG SER 41 4.810 -4.526 1.118 325 H ALA 42 H ALA 42 4.968 -7.474 -2.052 326 HA ALA 42 HA ALA 42 5.180 -5.421 -3.874 327 1HB ALA 42 1HB ALA 42 6.832 -6.919 -4.270 328 2HB ALA 42 2HB ALA 42 5.700 -7.508 -5.487 329 3HB ALA 42 3HB ALA 42 5.804 -8.308 -3.919 330 H ASN 43 H ASN 43 2.768 -7.971 -3.774 331 HA ASN 43 HA ASN 43 1.673 -7.442 -6.347 332 1HB ASN 43 1HB ASN 43 1.318 -9.553 -5.006 333 2HB ASN 43 1HB ASN 43 0.229 -8.634 -3.970 334 1HD2 ASN 43 1HD2 ASN 43 0.777 -9.667 -7.292 335 2HD2 ASN 43 2HD2 ASN 43 -0.887 -9.670 -7.758 336 H LEU 44 H LEU 44 1.115 -6.243 -3.114 337 HA LEU 44 HA LEU 44 -1.209 -4.709 -3.700 338 1HB LEU 44 1HB LEU 44 -0.801 -5.402 -1.449 339 2HB LEU 44 1HB LEU 44 0.775 -4.647 -1.440 340 HG LEU 44 HG LEU 44 -1.506 -2.837 -1.942 341 1HD1 LEU 44 1HD1 LEU 44 -1.060 -4.179 0.714 342 2HD1 LEU 44 2HD1 LEU 44 -2.534 -4.166 -0.254 343 3HD1 LEU 44 3HD1 LEU 44 -1.962 -2.680 0.501 344 1HD2 LEU 44 1HD2 LEU 44 1.054 -2.376 -1.602 345 2HD2 LEU 44 2HD2 LEU 44 0.622 -2.455 0.106 346 3HD2 LEU 44 3HD2 LEU 44 -0.157 -1.274 -0.947 347 H LEU 45 H LEU 45 2.157 -4.260 -4.036 348 HA LEU 45 HA LEU 45 2.195 -1.398 -4.106 349 1HB LEU 45 1HB LEU 45 4.123 -3.235 -3.827 350 2HB LEU 45 1HB LEU 45 4.222 -3.027 -5.557 351 HG LEU 45 HG LEU 45 4.718 -0.677 -5.318 352 1HD1 LEU 45 1HD1 LEU 45 3.473 0.038 -3.475 353 2HD1 LEU 45 2HD1 LEU 45 5.151 0.176 -2.949 354 3HD1 LEU 45 3HD1 LEU 45 4.169 -1.188 -2.414 355 1HD2 LEU 45 1HD2 LEU 45 6.701 -1.853 -5.302 356 2HD2 LEU 45 2HD2 LEU 45 6.351 -2.632 -3.760 357 3HD2 LEU 45 3HD2 LEU 45 6.819 -0.933 -3.802 358 H ALA 46 H ALA 46 2.604 -3.945 -6.475 359 HA ALA 46 HA ALA 46 2.391 -2.329 -8.763 360 1HB ALA 46 1HB ALA 46 1.460 -5.176 -8.759 361 2HB ALA 46 2HB ALA 46 3.166 -4.794 -8.524 362 3HB ALA 46 3HB ALA 46 2.345 -4.293 -10.002 363 H GLU 47 H GLU 47 0.012 -3.797 -6.676 364 HA GLU 47 HA GLU 47 -2.216 -3.386 -8.438 365 1HB GLU 47 1HB GLU 47 -1.814 -4.341 -5.674 366 2HB GLU 47 1HB GLU 47 -3.365 -3.578 -5.987 367 1HG GLU 47 1HG GLU 47 -2.200 -5.953 -7.417 368 2HG GLU 47 1HG GLU 47 -3.562 -5.944 -6.297 369 H ALA 48 H ALA 48 -1.154 -1.772 -5.464 370 HA ALA 48 HA ALA 48 -3.072 0.299 -5.587 371 1HB ALA 48 1HB ALA 48 -0.380 0.604 -4.294 372 2HB ALA 48 2HB ALA 48 -1.624 -0.431 -3.592 373 3HB ALA 48 3HB ALA 48 -1.928 1.293 -3.804 374 H LYS 49 H LYS 49 -0.082 -0.263 -7.199 375 HA LYS 49 HA LYS 49 0.395 2.439 -7.970 376 1HB LYS 49 1HB LYS 49 2.207 0.769 -7.839 377 2HB LYS 49 1HB LYS 49 1.434 -0.159 -9.113 378 1HG LYS 49 1HG LYS 49 2.743 0.949 -10.527 379 2HG LYS 49 1HG LYS 49 1.698 2.342 -10.236 380 1HD LYS 49 1HD LYS 49 4.058 1.720 -8.481 381 2HD LYS 49 1HD LYS 49 4.211 2.685 -9.951 382 1HE LYS 49 1HE LYS 49 2.225 3.341 -7.792 383 2HE LYS 49 1HE LYS 49 3.881 3.945 -7.762 384 1HZ LYS 49 1HZ LYS 49 1.674 4.658 -9.537 385 2HZ LYS 49 2HZ LYS 49 3.229 4.655 -10.202 386 3HZ LYS 49 3HZ LYS 49 2.882 5.635 -8.867 387 H LYS 50 H LYS 50 -0.977 -0.452 -9.507 388 HA LYS 50 HA LYS 50 -1.545 0.779 -11.992 389 1HB LYS 50 1HB LYS 50 -1.637 -1.476 -12.285 390 2HB LYS 50 1HB LYS 50 -2.172 -1.771 -10.639 391 1HG LYS 50 1HG LYS 50 -4.049 -0.602 -12.651 392 2HG LYS 50 1HG LYS 50 -3.743 -2.339 -12.605 393 1HD LYS 50 1HD LYS 50 -4.203 -1.413 -9.945 394 2HD LYS 50 1HD LYS 50 -5.499 -0.821 -10.985 395 1HE LYS 50 1HE LYS 50 -4.735 -3.635 -11.390 396 2HE LYS 50 1HE LYS 50 -5.468 -3.268 -9.829 397 1HZ LYS 50 1HZ LYS 50 -6.755 -2.224 -12.245 398 2HZ LYS 50 2HZ LYS 50 -7.447 -2.719 -10.783 399 3HZ LYS 50 3HZ LYS 50 -6.923 -3.873 -11.903 400 H LEU 51 H LEU 51 -3.333 0.336 -9.001 401 HA LEU 51 HA LEU 51 -5.792 1.347 -9.939 402 1HB LEU 51 1HB LEU 51 -4.603 1.037 -7.198 403 2HB LEU 51 1HB LEU 51 -6.174 1.780 -7.431 404 HG LEU 51 HG LEU 51 -5.387 -1.047 -8.128 405 1HD1 LEU 51 1HD1 LEU 51 -7.681 -0.426 -6.382 406 2HD1 LEU 51 2HD1 LEU 51 -6.083 -0.089 -5.717 407 3HD1 LEU 51 3HD1 LEU 51 -6.482 -1.715 -6.272 408 1HD2 LEU 51 1HD2 LEU 51 -6.968 -0.971 -9.697 409 2HD2 LEU 51 2HD2 LEU 51 -7.491 0.637 -9.195 410 3HD2 LEU 51 3HD2 LEU 51 -8.138 -0.792 -8.390 411 H ASN 52 H ASN 52 -3.181 2.884 -8.057 412 HA ASN 52 HA ASN 52 -4.249 5.413 -7.883 413 1HB ASN 52 1HB ASN 52 -2.153 4.414 -6.818 414 2HB ASN 52 1HB ASN 52 -1.412 5.029 -8.248 415 1HD2 ASN 52 1HD2 ASN 52 -0.476 6.891 -7.998 416 2HD2 ASN 52 2HD2 ASN 52 -1.024 8.147 -6.958 417 H ASP 53 H ASP 53 -2.413 3.935 -10.425 418 HA ASP 53 HA ASP 53 -2.199 6.331 -11.992 419 1HB ASP 53 1HB ASP 53 -1.819 3.435 -12.769 420 2HB ASP 53 1HB ASP 53 -1.336 4.824 -13.740 421 H ALA 54 H ALA 54 -4.362 3.604 -11.825 422 HA ALA 54 HA ALA 54 -5.717 3.998 -14.259 423 1HB ALA 54 1HB ALA 54 -5.722 1.894 -12.977 424 2HB ALA 54 2HB ALA 54 -7.339 2.432 -13.432 425 3HB ALA 54 3HB ALA 54 -6.766 2.659 -11.779 426 H GLN 55 H GLN 55 -6.190 5.471 -11.094 427 HA GLN 55 HA GLN 55 -8.675 6.680 -12.069 428 1HB GLN 55 1HB GLN 55 -8.062 7.517 -9.390 429 2HB GLN 55 1HB GLN 55 -9.446 6.615 -9.981 430 1HG GLN 55 1HG GLN 55 -8.656 5.092 -8.520 431 2HG GLN 55 1HG GLN 55 -7.666 4.630 -9.900 432 1HE2 GLN 55 1HE2 GLN 55 -7.233 4.362 -7.033 433 2HE2 GLN 55 2HE2 GLN 55 -5.729 5.133 -6.731 434 H ALA 56 H ALA 56 -5.849 7.416 -12.840 435 HA ALA 56 HA ALA 56 -5.295 9.968 -11.717 436 1HB ALA 56 1HB ALA 56 -3.372 9.249 -12.634 437 2HB ALA 56 2HB ALA 56 -3.991 10.025 -14.092 438 3HB ALA 56 3HB ALA 56 -4.196 8.289 -13.862 439 HA PRO 57 HA PRO 57 -7.641 12.982 -13.896 440 1HB PRO 57 1HB PRO 57 -5.190 13.841 -15.366 441 2HB PRO 57 1HB PRO 57 -6.348 14.810 -14.447 442 1HG PRO 57 1HG PRO 57 -3.965 14.221 -13.423 443 2HG PRO 57 1HG PRO 57 -5.416 14.226 -12.404 444 1HD PRO 57 1HD PRO 57 -3.874 11.921 -13.499 445 2HD PRO 57 1HD PRO 57 -4.731 12.075 -11.952 446 H LYS 58 H LYS 58 -8.854 13.077 -15.721 447 HA LYS 58 HA LYS 58 -8.203 11.198 -17.842 448 1HB LYS 58 1HB LYS 58 -10.690 12.832 -17.310 449 2HB LYS 58 1HB LYS 58 -10.514 11.686 -18.632 450 1HG LYS 58 1HG LYS 58 -11.494 10.278 -17.185 451 2HG LYS 58 1HG LYS 58 -9.855 10.108 -16.556 452 1HD LYS 58 1HD LYS 58 -10.476 12.122 -15.056 453 2HD LYS 58 1HD LYS 58 -12.142 11.710 -15.467 454 1HE LYS 58 1HE LYS 58 -11.387 9.298 -14.768 455 2HE LYS 58 1HE LYS 58 -10.135 10.170 -13.884 456 1HZ LYS 58 1HZ LYS 58 -12.321 11.536 -13.183 457 2HZ LYS 58 2HZ LYS 58 -11.694 10.241 -12.293 458 3HZ LYS 58 3HZ LYS 58 -12.977 9.987 -13.365
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