NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
6722 | 1jem | cing | 1-original | 13 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 2 2HT ALA 2 -5.596 -9.324 -10.595 2 2H ALA 2 1HT ALA 2 -4.792 -10.514 -9.686 3 3H ALA 2 3HT ALA 2 -6.451 -10.668 -10.004 4 HA ALA 2 HA ALA 2 -7.005 -8.867 -8.602 5 1HB ALA 2 2HB ALA 2 -6.445 -11.070 -7.519 6 2HB ALA 2 1HB ALA 2 -4.822 -10.451 -7.221 7 3HB ALA 2 3HB ALA 2 -6.213 -9.678 -6.462 8 H GLN 3 HN GLN 3 -6.479 -6.746 -8.611 9 HA GLN 3 HA GLN 3 -4.134 -5.705 -7.372 10 1HB GLN 3 2HB GLN 3 -3.054 -4.724 -9.434 11 2HB GLN 3 1HB GLN 3 -2.888 -6.472 -9.293 12 1HG GLN 3 2HG GLN 3 -4.277 -6.888 -11.072 13 2HG GLN 3 1HG GLN 3 -5.291 -5.484 -10.739 14 1HE2 GLN 3 2HE2 GLN 3 -3.545 -3.391 -12.973 15 2HE2 GLN 3 1HE2 GLN 3 -4.868 -3.583 -11.928 16 H LYS 4 HN LYS 4 -4.175 -3.372 -7.332 17 HA LYS 4 HA LYS 4 -6.342 -2.007 -8.803 18 1HB LYS 4 2HB LYS 4 -7.189 -3.035 -6.541 19 2HB LYS 4 1HB LYS 4 -6.316 -1.686 -5.817 20 1HG LYS 4 2HG LYS 4 -8.034 -0.985 -8.127 21 2HG LYS 4 1HG LYS 4 -8.893 -1.520 -6.683 22 1HD LYS 4 2HD LYS 4 -6.788 0.287 -5.896 23 2HD LYS 4 1HD LYS 4 -7.736 1.037 -7.177 24 1HE LYS 4 2HE LYS 4 -8.924 -0.222 -4.688 25 2HE LYS 4 1HE LYS 4 -8.643 1.507 -4.895 26 1HZ LYS 4 3HZ LYS 4 -10.005 1.212 -7.027 27 2HZ LYS 4 2HZ LYS 4 -10.533 -0.245 -6.329 28 3HZ LYS 4 1HZ LYS 4 -10.830 1.233 -5.546 29 H THR 5 HN THR 5 -5.870 0.147 -9.125 30 HA THR 5 HA THR 5 -3.225 1.077 -8.191 31 HB THR 5 HB THR 5 -5.203 2.438 -10.045 32 HG1 THR 5 HG1 THR 5 -4.620 0.617 -11.068 33 1HG2 THR 5 2HG2 THR 5 -2.241 2.846 -9.548 34 2HG2 THR 5 1HG2 THR 5 -3.184 3.674 -10.787 35 3HG2 THR 5 3HG2 THR 5 -3.533 3.952 -9.082 36 H PHE 6 HN PHE 6 -3.077 2.283 -6.371 37 HA PHE 6 HA PHE 6 -5.523 3.672 -5.382 38 1HB PHE 6 2HB PHE 6 -2.974 2.790 -4.004 39 2HB PHE 6 1HB PHE 6 -4.189 3.804 -3.224 40 HD1 PHE 6 1HD PHE 6 -3.623 0.499 -4.838 41 HD2 PHE 6 2HD PHE 6 -6.224 2.886 -2.392 42 HE1 PHE 6 1HE PHE 6 -4.963 -1.517 -4.295 43 HE2 PHE 6 2HE PHE 6 -7.562 0.870 -1.851 44 HZ PHE 6 HZ PHE 6 -6.934 -1.330 -2.800 45 H LYS 7 HN LYS 7 -5.358 5.873 -4.669 46 HA LYS 7 HA LYS 7 -3.202 7.390 -6.057 47 1HB LYS 7 2HB LYS 7 -5.952 8.136 -5.045 48 2HB LYS 7 1HB LYS 7 -4.770 9.360 -5.512 49 1HG LYS 7 2HG LYS 7 -5.408 7.082 -7.373 50 2HG LYS 7 1HG LYS 7 -6.452 8.502 -7.313 51 1HD LYS 7 2HD LYS 7 -4.693 9.957 -7.977 52 2HD LYS 7 1HD LYS 7 -3.459 8.738 -7.655 53 1HE LYS 7 2HE LYS 7 -5.542 8.666 -9.857 54 2HE LYS 7 1HE LYS 7 -3.802 8.868 -10.056 55 1HZ LYS 7 3HZ LYS 7 -3.708 6.639 -8.772 56 2HZ LYS 7 2HZ LYS 7 -5.317 6.468 -9.291 57 3HZ LYS 7 1HZ LYS 7 -4.067 6.634 -10.430 58 H VAL 8 HN VAL 8 -1.666 8.449 -4.877 59 HA VAL 8 HA VAL 8 -1.791 8.237 -1.931 60 HB VAL 8 HB VAL 8 0.431 9.408 -3.625 61 1HG1 VAL 8 2HG1 VAL 8 0.109 8.528 -0.770 62 2HG1 VAL 8 1HG1 VAL 8 1.697 8.446 -1.534 63 3HG1 VAL 8 3HG1 VAL 8 0.859 9.993 -1.404 64 1HG2 VAL 8 1HG2 VAL 8 -0.036 6.548 -2.719 65 2HG2 VAL 8 3HG2 VAL 8 0.015 7.124 -4.385 66 3HG2 VAL 8 2HG2 VAL 8 1.479 7.142 -3.400 67 H THR 9 HN THR 9 -2.792 9.857 -0.855 68 HA THR 9 HA THR 9 -2.256 12.661 -1.718 69 HB THR 9 HB THR 9 -4.959 11.920 -0.646 70 HG1 THR 9 HG1 THR 9 -4.110 11.731 -3.345 71 1HG2 THR 9 2HG2 THR 9 -4.242 14.294 -0.919 72 2HG2 THR 9 1HG2 THR 9 -4.023 13.997 -2.643 73 3HG2 THR 9 3HG2 THR 9 -5.630 13.882 -1.926 74 H ALA 10 HN ALA 10 -1.375 10.745 0.545 75 HA ALA 10 HA ALA 10 -2.492 11.917 2.961 76 1HB ALA 10 1HB ALA 10 -1.487 9.560 2.697 77 2HB ALA 10 3HB ALA 10 0.085 10.356 2.780 78 3HB ALA 10 2HB ALA 10 -1.032 10.465 4.141 79 H ASP 11 HN ASP 11 -1.309 13.274 4.449 80 HA ASP 11 HA ASP 11 0.232 15.351 3.163 81 1HB ASP 11 2HB ASP 11 -1.254 15.545 5.260 82 2HB ASP 11 1HB ASP 11 0.114 14.866 6.143 83 H SER 12 HN SER 12 1.103 12.831 5.551 84 HA SER 12 HA SER 12 3.936 13.448 5.423 85 1HB SER 12 2HB SER 12 4.222 11.458 6.793 86 2HB SER 12 1HB SER 12 2.824 12.351 7.384 87 HG SER 12 HG SER 12 2.380 10.122 7.150 88 H GLY 13 HN GLY 13 1.771 11.272 3.717 89 1HA GLY 13 2HA GLY 13 2.316 10.483 1.475 90 2HA GLY 13 1HA GLY 13 4.027 10.554 1.905 91 H ILE 14 HN ILE 14 4.315 8.327 1.282 92 HA ILE 14 HA ILE 14 2.968 6.353 3.077 93 HB ILE 14 HB ILE 14 4.478 5.680 0.546 94 1HG1 ILE 14 2HG1 ILE 14 2.714 7.271 -0.089 95 2HG1 ILE 14 1HG1 ILE 14 2.275 5.648 -0.614 96 1HG2 ILE 14 1HG2 ILE 14 3.537 4.077 2.528 97 2HG2 ILE 14 3HG2 ILE 14 2.127 4.132 1.472 98 3HG2 ILE 14 2HG2 ILE 14 3.675 3.568 0.845 99 1HD1 ILE 14 1HD1 ILE 14 1.150 5.652 1.850 100 2HD1 ILE 14 3HD1 ILE 14 1.029 7.366 1.458 101 3HD1 ILE 14 2HD1 ILE 14 0.290 6.165 0.398 102 1HN HIP 15 HN HIP 15 4.845 7.544 4.457 103 HA HIP 15 HA HIP 15 7.462 6.298 4.027 104 1HB HIP 15 1HB HIP 15 7.229 8.683 4.784 105 2HB HIP 15 2HB HIP 15 8.273 7.702 5.795 106 HD2 HIP 15 2HD HIP 15 4.348 8.304 6.108 107 HE2 HIP 15 2HE HIP 15 3.968 8.958 8.592 108 HE1 HIP 15 1HE HIP 15 6.175 9.030 9.830 109 H ALA 16 HN ALA 16 7.914 6.124 7.054 110 HA ALA 16 HA ALA 16 7.401 3.320 7.272 111 1HB ALA 16 1HB ALA 16 8.429 5.432 9.124 112 2HB ALA 16 3HB ALA 16 8.018 3.843 9.772 113 3HB ALA 16 2HB ALA 16 9.237 3.991 8.506 114 H ARG 17 HN ARG 17 5.755 6.084 8.889 115 HA ARG 17 HA ARG 17 4.111 4.616 10.621 116 1HB ARG 17 2HB ARG 17 4.282 7.272 9.874 117 2HB ARG 17 1HB ARG 17 2.659 6.827 9.355 118 1HG ARG 17 2HG ARG 17 2.408 7.538 11.608 119 2HG ARG 17 1HG ARG 17 2.375 5.776 11.678 120 1HD ARG 17 2HD ARG 17 4.651 5.671 12.418 121 2HD ARG 17 1HD ARG 17 4.912 7.379 12.064 122 HE ARG 17 HE ARG 17 3.218 7.817 13.932 123 1HH1 ARG 17 HH11 ARG 17 2.546 4.950 14.459 124 2HH1 ARG 17 HH12 ARG 17 3.565 4.578 15.810 125 1HH2 ARG 17 HH21 ARG 17 5.624 7.330 15.353 126 2HH2 ARG 17 HH22 ARG 17 5.307 5.926 16.316 127 HA PRO 18 HA PRO 18 0.760 4.055 7.264 128 1HB PRO 18 2HB PRO 18 1.435 4.584 4.647 129 2HB PRO 18 1HB PRO 18 0.667 5.762 5.726 130 1HG PRO 18 2HG PRO 18 3.512 5.598 4.835 131 2HG PRO 18 1HG PRO 18 2.557 7.021 5.284 132 1HD PRO 18 2HD PRO 18 4.454 5.779 6.921 133 2HD PRO 18 1HD PRO 18 3.186 6.878 7.486 134 H ALA 19 HN ALA 19 4.114 3.364 6.497 135 HA ALA 19 HA ALA 19 3.608 0.996 4.908 136 1HB ALA 19 2HB ALA 19 5.768 2.302 4.915 137 2HB ALA 19 1HB ALA 19 6.089 1.651 6.522 138 3HB ALA 19 3HB ALA 19 5.976 0.566 5.137 139 H THR 20 HN THR 20 3.608 1.685 8.318 140 HA THR 20 HA THR 20 3.961 -1.117 9.116 141 HB THR 20 HB THR 20 2.884 0.956 10.981 142 HG1 THR 20 HG1 THR 20 4.928 1.847 11.189 143 1HG2 THR 20 3HG2 THR 20 4.524 -1.515 11.054 144 2HG2 THR 20 2HG2 THR 20 4.972 -0.257 12.208 145 3HG2 THR 20 1HG2 THR 20 3.335 -0.916 12.212 146 H VAL 21 HN VAL 21 1.370 1.189 8.560 147 HA VAL 21 HA VAL 21 -0.739 -0.379 9.778 148 HB VAL 21 HB VAL 21 -1.025 1.616 7.540 149 1HG1 VAL 21 2HG1 VAL 21 -2.830 0.329 9.541 150 2HG1 VAL 21 1HG1 VAL 21 -3.165 2.000 9.088 151 3HG1 VAL 21 3HG1 VAL 21 -3.139 0.740 7.854 152 1HG2 VAL 21 3HG2 VAL 21 -0.442 1.992 10.458 153 2HG2 VAL 21 2HG2 VAL 21 0.136 2.925 9.077 154 3HG2 VAL 21 1HG2 VAL 21 -1.515 3.140 9.659 155 H LEU 22 HN LEU 22 0.633 -0.095 6.562 156 HA LEU 22 HA LEU 22 -1.298 -1.826 5.281 157 1HB LEU 22 2HB LEU 22 1.442 -0.839 4.463 158 2HB LEU 22 1HB LEU 22 0.366 -1.756 3.402 159 HG LEU 22 HG LEU 22 -0.403 0.845 4.765 160 1HD1 LEU 22 3HD1 LEU 22 0.826 0.232 2.081 161 2HD1 LEU 22 2HD1 LEU 22 -0.265 1.608 2.254 162 3HD1 LEU 22 1HD1 LEU 22 1.216 1.532 3.210 163 1HD2 LEU 22 1HD2 LEU 22 -1.691 -0.959 2.702 164 2HD2 LEU 22 3HD2 LEU 22 -2.359 -0.416 4.241 165 3HD2 LEU 22 2HD2 LEU 22 -2.179 0.723 2.907 166 H VAL 23 HN VAL 23 2.129 -2.284 6.267 167 HA VAL 23 HA VAL 23 2.396 -4.978 5.479 168 HB VAL 23 HB VAL 23 4.278 -3.588 6.301 169 1HG1 VAL 23 3HG1 VAL 23 2.967 -2.565 8.190 170 2HG1 VAL 23 2HG1 VAL 23 3.138 -4.087 9.063 171 3HG1 VAL 23 1HG1 VAL 23 4.568 -3.140 8.656 172 1HG2 VAL 23 2HG2 VAL 23 4.010 -6.264 6.545 173 2HG2 VAL 23 1HG2 VAL 23 5.467 -5.408 7.046 174 3HG2 VAL 23 3HG2 VAL 23 4.247 -5.847 8.241 175 H GLN 24 HN GLN 24 0.724 -3.622 8.245 176 HA GLN 24 HA GLN 24 0.437 -6.127 9.686 177 1HB GLN 24 2HB GLN 24 -0.948 -3.446 9.848 178 2HB GLN 24 1HB GLN 24 -1.442 -4.808 10.851 179 1HG GLN 24 2HG GLN 24 1.418 -4.584 10.983 180 2HG GLN 24 1HG GLN 24 0.723 -2.993 11.287 181 1HE2 GLN 24 2HE2 GLN 24 0.265 -5.956 14.041 182 2HE2 GLN 24 1HE2 GLN 24 1.027 -6.262 12.556 183 H THR 25 HN THR 25 -1.565 -4.309 7.377 184 HA THR 25 HA THR 25 -3.848 -6.064 7.537 185 HB THR 25 HB THR 25 -3.012 -4.352 5.180 186 HG1 THR 25 HG1 THR 25 -3.332 -2.752 6.473 187 1HG2 THR 25 3HG2 THR 25 -4.917 -6.059 4.987 188 2HG2 THR 25 2HG2 THR 25 -5.788 -5.049 6.141 189 3HG2 THR 25 1HG2 THR 25 -5.310 -4.389 4.577 190 H ALA 26 HN ALA 26 -1.583 -5.686 4.788 191 HA ALA 26 HA ALA 26 -2.261 -8.066 3.448 192 1HB ALA 26 1HB ALA 26 0.439 -6.694 3.567 193 2HB ALA 26 3HB ALA 26 -0.055 -7.870 2.351 194 3HB ALA 26 2HB ALA 26 -0.865 -6.308 2.445 195 H SER 27 HN SER 27 -0.333 -7.642 6.329 196 HA SER 27 HA SER 27 1.233 -10.014 6.254 197 1HB SER 27 2HB SER 27 0.296 -8.132 8.331 198 2HB SER 27 1HB SER 27 0.658 -9.753 8.917 199 HG SER 27 HG SER 27 2.503 -8.387 8.902 200 H LYS 28 HN LYS 28 -2.062 -9.469 7.505 201 HA LYS 28 HA LYS 28 -2.508 -12.135 8.435 202 1HB LYS 28 2HB LYS 28 -4.246 -9.819 7.677 203 2HB LYS 28 1HB LYS 28 -5.001 -11.404 7.851 204 1HG LYS 28 2HG LYS 28 -5.144 -10.510 10.023 205 2HG LYS 28 1HG LYS 28 -3.704 -11.526 10.102 206 1HD LYS 28 2HD LYS 28 -2.258 -9.718 10.147 207 2HD LYS 28 1HD LYS 28 -3.373 -8.673 9.266 208 1HE LYS 28 2HE LYS 28 -4.835 -8.556 11.255 209 2HE LYS 28 1HE LYS 28 -3.710 -9.589 12.137 210 1HZ LYS 28 3HZ LYS 28 -2.879 -7.035 10.892 211 2HZ LYS 28 2HZ LYS 28 -3.467 -7.121 12.484 212 3HZ LYS 28 1HZ LYS 28 -2.049 -7.952 12.053 213 H TYR 29 HN TYR 29 -2.658 -10.689 5.240 214 HA TYR 29 HA TYR 29 -3.961 -13.076 4.091 215 1HB TYR 29 2HB TYR 29 -2.877 -10.589 2.725 216 2HB TYR 29 1HB TYR 29 -3.875 -11.836 1.976 217 HD1 TYR 29 2HD TYR 29 -6.236 -12.133 2.631 218 HD2 TYR 29 1HD TYR 29 -3.832 -8.969 4.257 219 HE1 TYR 29 2HE TYR 29 -8.283 -10.995 3.446 220 HE2 TYR 29 1HE TYR 29 -5.877 -7.832 5.073 221 HH TYR 29 HH TYR 29 -9.015 -8.758 4.074 222 H ASP 30 HN ASP 30 -2.837 -14.737 3.221 223 HA ASP 30 HA ASP 30 0.071 -14.751 3.336 224 1HB ASP 30 2HB ASP 30 -1.844 -16.768 2.126 225 2HB ASP 30 1HB ASP 30 -0.134 -17.043 2.469 226 H ALA 31 HN ALA 31 -2.242 -13.853 0.929 227 HA ALA 31 HA ALA 31 -0.881 -14.520 -1.465 228 1HB ALA 31 3HB ALA 31 -3.219 -13.341 -0.995 229 2HB ALA 31 2HB ALA 31 -2.267 -11.878 -1.254 230 3HB ALA 31 1HB ALA 31 -2.371 -13.100 -2.523 231 H ASP 32 HN ASP 32 0.588 -13.300 -2.763 232 HA ASP 32 HA ASP 32 2.437 -11.625 -1.184 233 1HB ASP 32 2HB ASP 32 2.554 -13.068 -3.806 234 2HB ASP 32 1HB ASP 32 3.641 -11.702 -3.552 235 H VAL 33 HN VAL 33 0.999 -9.764 -1.008 236 HA VAL 33 HA VAL 33 0.311 -8.349 -3.509 237 HB VAL 33 HB VAL 33 -0.876 -6.778 -2.044 238 1HG1 VAL 33 2HG1 VAL 33 -1.471 -9.513 -2.341 239 2HG1 VAL 33 1HG1 VAL 33 -1.775 -9.168 -0.639 240 3HG1 VAL 33 3HG1 VAL 33 -2.594 -8.232 -1.890 241 1HG2 VAL 33 1HG2 VAL 33 0.848 -8.057 -0.005 242 2HG2 VAL 33 3HG2 VAL 33 0.168 -6.430 -0.043 243 3HG2 VAL 33 2HG2 VAL 33 -0.818 -7.784 0.505 244 H ASN 34 HN ASN 34 1.686 -6.883 -4.390 245 HA ASN 34 HA ASN 34 3.710 -5.613 -2.587 246 1HB ASN 34 2HB ASN 34 4.070 -6.385 -5.499 247 2HB ASN 34 1HB ASN 34 5.291 -5.653 -4.457 248 1HD2 ASN 34 2HD2 ASN 34 5.618 -9.443 -4.501 249 2HD2 ASN 34 1HD2 ASN 34 5.486 -8.306 -5.753 250 H LEU 35 HN LEU 35 4.147 -3.422 -2.949 251 HA LEU 35 HA LEU 35 2.090 -1.977 -4.530 252 1HB LEU 35 2HB LEU 35 2.736 -1.466 -2.060 253 2HB LEU 35 1HB LEU 35 4.160 -0.693 -2.754 254 HG LEU 35 HG LEU 35 1.597 0.034 -4.045 255 1HD1 LEU 35 1HD1 LEU 35 1.390 -0.136 -1.361 256 2HD1 LEU 35 3HD1 LEU 35 2.120 1.464 -1.489 257 3HD1 LEU 35 2HD1 LEU 35 0.590 1.126 -2.297 258 1HD2 LEU 35 3HD2 LEU 35 4.205 1.265 -3.276 259 2HD2 LEU 35 2HD2 LEU 35 3.320 1.370 -4.798 260 3HD2 LEU 35 1HD2 LEU 35 2.817 2.345 -3.418 261 H GLU 36 HN GLU 36 2.783 -0.215 -5.964 262 HA GLU 36 HA GLU 36 5.570 -0.574 -6.999 263 1HB GLU 36 2HB GLU 36 3.581 -1.456 -8.436 264 2HB GLU 36 1HB GLU 36 3.267 0.250 -8.758 265 1HG GLU 36 2HG GLU 36 5.922 0.213 -9.214 266 2HG GLU 36 1HG GLU 36 5.540 -1.457 -9.639 267 H TYR 37 HN TYR 37 6.731 1.302 -7.227 268 HA TYR 37 HA TYR 37 5.412 3.893 -7.547 269 1HB TYR 37 2HB TYR 37 5.263 3.436 -5.075 270 2HB TYR 37 1HB TYR 37 7.026 3.393 -5.030 271 HD1 TYR 37 1HD TYR 37 4.122 5.547 -5.959 272 HD2 TYR 37 2HD TYR 37 8.289 5.391 -4.927 273 HE1 TYR 37 1HE TYR 37 4.179 8.021 -5.815 274 HE2 TYR 37 2HE TYR 37 8.347 7.866 -4.783 275 HH TYR 37 HH TYR 37 6.531 9.824 -6.075 276 H ASN 38 HN ASN 38 6.745 5.150 -8.752 277 HA ASN 38 HA ASN 38 8.672 5.917 -9.838 278 1HB ASN 38 2HB ASN 38 9.594 5.136 -7.121 279 2HB ASN 38 1HB ASN 38 10.848 5.336 -8.345 280 1HD2 ASN 38 2HD2 ASN 38 10.683 8.842 -8.204 281 2HD2 ASN 38 1HD2 ASN 38 11.556 7.454 -8.641 282 H GLY 39 HN GLY 39 7.701 3.162 -10.308 283 1HA GLY 39 2HA GLY 39 8.386 1.360 -11.648 284 2HA GLY 39 1HA GLY 39 9.903 2.219 -11.908 285 H LYS 40 HN LYS 40 8.712 1.433 -8.703 286 HA LYS 40 HA LYS 40 10.769 -0.721 -8.485 287 1HB LYS 40 2HB LYS 40 10.439 1.754 -6.839 288 2HB LYS 40 1HB LYS 40 10.909 0.271 -6.008 289 1HG LYS 40 2HG LYS 40 13.024 0.831 -6.619 290 2HG LYS 40 1HG LYS 40 12.561 0.217 -8.204 291 1HD LYS 40 2HD LYS 40 13.043 2.279 -8.997 292 2HD LYS 40 1HD LYS 40 11.559 2.814 -8.212 293 1HE LYS 40 2HE LYS 40 13.930 2.605 -6.445 294 2HE LYS 40 1HE LYS 40 14.002 3.873 -7.669 295 1HZ LYS 40 2HZ LYS 40 11.576 3.521 -6.034 296 2HZ LYS 40 1HZ LYS 40 12.907 4.375 -5.411 297 3HZ LYS 40 3HZ LYS 40 12.143 4.914 -6.826 298 H THR 41 HN THR 41 9.696 -2.555 -7.973 299 HA THR 41 HA THR 41 7.106 -2.364 -6.539 300 HB THR 41 HB THR 41 8.419 -4.809 -7.756 301 HG1 THR 41 HG1 THR 41 6.447 -3.094 -8.853 302 1HG2 THR 41 2HG2 THR 41 5.794 -4.186 -6.488 303 2HG2 THR 41 1HG2 THR 41 5.787 -5.274 -7.875 304 3HG2 THR 41 3HG2 THR 41 6.738 -5.675 -6.445 305 H VAL 42 HN VAL 42 7.373 -2.313 -4.357 306 HA VAL 42 HA VAL 42 9.396 -4.144 -3.134 307 HB VAL 42 HB VAL 42 8.807 -2.733 -1.014 308 1HG1 VAL 42 3HG1 VAL 42 10.845 -2.649 -2.813 309 2HG1 VAL 42 2HG1 VAL 42 10.258 -0.988 -2.905 310 3HG1 VAL 42 1HG1 VAL 42 10.769 -1.659 -1.355 311 1HG2 VAL 42 3HG2 VAL 42 6.869 -1.569 -2.084 312 2HG2 VAL 42 2HG2 VAL 42 8.082 -0.448 -1.467 313 3HG2 VAL 42 1HG2 VAL 42 7.993 -0.786 -3.196 314 H ASN 43 HN ASN 43 8.729 -5.551 -1.455 315 HA ASN 43 HA ASN 43 6.069 -6.606 -1.690 316 1HB ASN 43 2HB ASN 43 8.185 -7.812 -0.862 317 2HB ASN 43 1HB ASN 43 7.893 -7.020 0.687 318 1HD2 ASN 43 2HD2 ASN 43 6.113 -10.376 0.519 319 2HD2 ASN 43 1HD2 ASN 43 7.715 -9.926 0.187 320 H LEU 44 HN LEU 44 4.225 -6.044 -0.600 321 HA LEU 44 HA LEU 44 3.923 -3.609 0.765 322 1HB LEU 44 2HB LEU 44 2.125 -5.200 -0.185 323 2HB LEU 44 1HB LEU 44 2.227 -6.048 1.352 324 HG LEU 44 HG LEU 44 0.375 -4.342 1.214 325 1HD1 LEU 44 3HD1 LEU 44 1.992 -5.010 3.323 326 2HD1 LEU 44 2HD1 LEU 44 2.071 -3.249 3.352 327 3HD1 LEU 44 1HD1 LEU 44 0.511 -4.063 3.446 328 1HD2 LEU 44 3HD2 LEU 44 1.787 -2.670 -0.098 329 2HD2 LEU 44 2HD2 LEU 44 0.858 -1.995 1.242 330 3HD2 LEU 44 1HD2 LEU 44 2.588 -2.284 1.426 331 H LYS 45 HN LYS 45 5.032 -6.694 1.969 332 HA LYS 45 HA LYS 45 4.874 -5.803 4.785 333 1HB LYS 45 2HB LYS 45 5.811 -8.374 3.476 334 2HB LYS 45 1HB LYS 45 5.914 -8.078 5.212 335 1HG LYS 45 2HG LYS 45 3.848 -9.117 5.114 336 2HG LYS 45 1HG LYS 45 3.354 -7.437 4.913 337 1HD LYS 45 2HD LYS 45 2.419 -7.981 2.939 338 2HD LYS 45 1HD LYS 45 4.021 -8.371 2.318 339 1HE LYS 45 2HE LYS 45 2.452 -10.353 3.967 340 2HE LYS 45 1HE LYS 45 2.230 -10.228 2.222 341 1HZ LYS 45 2HZ LYS 45 4.936 -10.475 3.362 342 2HZ LYS 45 1HZ LYS 45 3.973 -11.859 3.147 343 3HZ LYS 45 3HZ LYS 45 4.383 -10.897 1.811 344 H SER 46 HN SER 46 6.417 -4.041 3.512 345 HA SER 46 HA SER 46 9.145 -4.659 4.502 346 1HB SER 46 2HB SER 46 8.747 -4.974 1.871 347 2HB SER 46 1HB SER 46 8.942 -3.221 1.879 348 HG SER 46 HG SER 46 10.816 -5.084 2.017 349 H ILE 47 HN ILE 47 8.492 -3.186 6.189 350 HA ILE 47 HA ILE 47 7.555 -0.522 5.659 351 HB ILE 47 HB ILE 47 9.042 -1.499 8.110 352 1HG1 ILE 47 2HG1 ILE 47 6.092 -1.624 7.376 353 2HG1 ILE 47 1HG1 ILE 47 7.165 -2.997 7.622 354 1HG2 ILE 47 2HG2 ILE 47 8.504 1.034 7.573 355 2HG2 ILE 47 1HG2 ILE 47 6.867 0.575 8.046 356 3HG2 ILE 47 3HG2 ILE 47 8.200 0.394 9.188 357 1HD1 ILE 47 1HD1 ILE 47 7.536 -1.764 9.983 358 2HD1 ILE 47 3HD1 ILE 47 5.898 -1.210 9.635 359 3HD1 ILE 47 2HD1 ILE 47 6.245 -2.937 9.723 360 H MET 48 HN MET 48 10.788 -1.887 6.207 361 HA MET 48 HA MET 48 12.114 0.698 6.095 362 1HB MET 48 2HB MET 48 12.949 -1.467 7.229 363 2HB MET 48 1HB MET 48 13.431 -1.971 5.608 364 1HG MET 48 2HG MET 48 15.369 -0.895 6.211 365 2HG MET 48 1HG MET 48 14.481 0.495 5.588 366 1HE MET 48 1HE MET 48 16.571 1.309 6.925 367 2HE MET 48 3HE MET 48 15.372 2.596 7.112 368 3HE MET 48 2HE MET 48 16.325 2.067 8.495 369 H GLY 49 HN GLY 49 11.145 -1.726 3.761 370 1HA GLY 49 2HA GLY 49 12.910 -0.819 1.640 371 2HA GLY 49 1HA GLY 49 11.524 -1.890 1.443 372 H VAL 50 HN VAL 50 9.656 0.005 2.721 373 HA VAL 50 HA VAL 50 8.967 1.534 0.353 374 HB VAL 50 HB VAL 50 7.805 1.747 3.147 375 1HG1 VAL 50 1HG1 VAL 50 7.360 3.522 1.267 376 2HG1 VAL 50 3HG1 VAL 50 6.358 2.255 0.557 377 3HG1 VAL 50 2HG1 VAL 50 5.995 2.868 2.170 378 1HG2 VAL 50 2HG2 VAL 50 7.865 -0.538 1.665 379 2HG2 VAL 50 1HG2 VAL 50 6.538 -0.117 2.747 380 3HG2 VAL 50 3HG2 VAL 50 6.408 0.216 1.020 381 H VAL 51 HN VAL 51 10.672 2.219 3.341 382 HA VAL 51 HA VAL 51 10.469 5.068 3.323 383 HB VAL 51 HB VAL 51 12.839 3.423 4.254 384 1HG1 VAL 51 2HG1 VAL 51 11.763 6.152 5.025 385 2HG1 VAL 51 1HG1 VAL 51 13.075 5.323 5.863 386 3HG1 VAL 51 3HG1 VAL 51 13.277 5.820 4.183 387 1HG2 VAL 51 3HG2 VAL 51 10.084 3.731 5.309 388 2HG2 VAL 51 2HG2 VAL 51 11.258 2.444 5.586 389 3HG2 VAL 51 1HG2 VAL 51 11.372 3.952 6.494 390 H SER 52 HN SER 52 12.574 2.837 1.581 391 HA SER 52 HA SER 52 14.457 4.758 0.603 392 1HB SER 52 2HB SER 52 15.094 3.077 -0.988 393 2HB SER 52 1HB SER 52 14.653 2.224 0.488 394 HG SER 52 HG SER 52 13.365 1.188 -0.822 395 H LEU 53 HN LEU 53 11.235 3.823 -0.458 396 HA LEU 53 HA LEU 53 11.358 5.167 -3.021 397 1HB LEU 53 2HB LEU 53 8.916 4.490 -1.353 398 2HB LEU 53 1HB LEU 53 8.943 4.835 -3.083 399 HG LEU 53 HG LEU 53 10.467 2.550 -1.802 400 1HD1 LEU 53 3HD1 LEU 53 7.665 2.783 -2.804 401 2HD1 LEU 53 2HD1 LEU 53 8.552 1.314 -3.210 402 3HD1 LEU 53 1HD1 LEU 53 8.317 1.764 -1.521 403 1HD2 LEU 53 2HD2 LEU 53 9.978 3.523 -4.607 404 2HD2 LEU 53 1HD2 LEU 53 11.490 3.006 -3.861 405 3HD2 LEU 53 3HD2 LEU 53 10.274 1.810 -4.312 406 H GLY 54 HN GLY 54 10.047 6.056 0.177 407 1HA GLY 54 2HA GLY 54 9.580 8.166 1.092 408 2HA GLY 54 1HA GLY 54 10.693 8.827 -0.106 409 H ILE 55 HN ILE 55 7.428 7.346 -0.077 410 HA ILE 55 HA ILE 55 6.595 8.895 -2.398 411 HB ILE 55 HB ILE 55 4.852 7.377 -0.430 412 1HG1 ILE 55 2HG1 ILE 55 6.142 6.393 -2.999 413 2HG1 ILE 55 1HG1 ILE 55 6.720 5.992 -1.382 414 1HG2 ILE 55 3HG2 ILE 55 4.484 8.224 -3.321 415 2HG2 ILE 55 2HG2 ILE 55 3.371 7.186 -2.431 416 3HG2 ILE 55 1HG2 ILE 55 3.612 8.858 -1.926 417 1HD1 ILE 55 2HD1 ILE 55 3.831 5.527 -1.844 418 2HD1 ILE 55 1HD1 ILE 55 4.920 4.479 -2.751 419 3HD1 ILE 55 3HD1 ILE 55 5.011 4.531 -0.991 420 H ALA 56 HN ALA 56 4.971 10.562 -2.385 421 HA ALA 56 HA ALA 56 4.485 11.860 0.252 422 1HB ALA 56 1HB ALA 56 6.420 12.775 -1.468 423 2HB ALA 56 3HB ALA 56 5.022 13.730 -1.966 424 3HB ALA 56 2HB ALA 56 5.575 13.780 -0.291 425 H LYS 57 HN LYS 57 3.128 14.092 -0.667 426 HA LYS 57 HA LYS 57 0.603 12.895 -1.534 427 1HB LYS 57 2HB LYS 57 -0.253 15.241 -1.317 428 2HB LYS 57 1HB LYS 57 0.535 14.652 0.145 429 1HG LYS 57 2HG LYS 57 2.421 15.926 -1.704 430 2HG LYS 57 1HG LYS 57 1.140 17.020 -1.188 431 1HD LYS 57 2HD LYS 57 1.732 15.887 1.192 432 2HD LYS 57 1HD LYS 57 3.308 15.760 0.409 433 1HE LYS 57 2HE LYS 57 1.677 18.299 0.707 434 2HE LYS 57 1HE LYS 57 3.131 17.891 1.619 435 1HZ LYS 57 2HZ LYS 57 4.230 17.666 -0.640 436 2HZ LYS 57 1HZ LYS 57 2.879 18.483 -1.265 437 3HZ LYS 57 3HZ LYS 57 3.869 19.240 -0.115 438 H GLY 58 HN GLY 58 -0.394 13.185 -3.529 439 1HA GLY 58 2HA GLY 58 -0.673 14.026 -5.742 440 2HA GLY 58 1HA GLY 58 0.800 14.975 -5.539 441 H ALA 59 HN ALA 59 0.303 11.478 -5.081 442 HA ALA 59 HA ALA 59 2.091 10.974 -7.413 443 1HB ALA 59 3HB ALA 59 3.059 10.876 -4.856 444 2HB ALA 59 2HB ALA 59 2.530 9.209 -5.080 445 3HB ALA 59 1HB ALA 59 3.701 9.920 -6.192 446 H GLU 60 HN GLU 60 2.164 8.389 -7.662 447 HA GLU 60 HA GLU 60 -0.581 7.317 -7.172 448 1HB GLU 60 2HB GLU 60 0.948 7.469 -9.768 449 2HB GLU 60 1HB GLU 60 -0.274 6.223 -9.510 450 1HG GLU 60 2HG GLU 60 -1.673 7.837 -10.337 451 2HG GLU 60 1HG GLU 60 -1.656 8.388 -8.661 452 H ILE 61 HN ILE 61 -0.666 4.991 -7.060 453 HA ILE 61 HA ILE 61 1.948 3.576 -6.978 454 HB ILE 61 HB ILE 61 1.268 2.512 -4.808 455 1HG1 ILE 61 2HG1 ILE 61 -0.832 4.707 -4.814 456 2HG1 ILE 61 1HG1 ILE 61 -1.170 2.994 -5.053 457 1HG2 ILE 61 1HG2 ILE 61 1.547 5.533 -4.854 458 2HG2 ILE 61 3HG2 ILE 61 1.768 4.533 -3.418 459 3HG2 ILE 61 2HG2 ILE 61 2.861 4.359 -4.791 460 1HD1 ILE 61 1HD1 ILE 61 0.377 3.066 -2.722 461 2HD1 ILE 61 3HD1 ILE 61 -0.704 4.451 -2.571 462 3HD1 ILE 61 2HD1 ILE 61 -1.369 2.835 -2.809 463 H THR 62 HN THR 62 1.774 1.375 -7.516 464 HA THR 62 HA THR 62 -0.967 0.473 -8.316 465 HB THR 62 HB THR 62 1.481 -0.731 -9.539 466 HG1 THR 62 HG1 THR 62 1.363 1.003 -11.105 467 1HG2 THR 62 3HG2 THR 62 -1.108 -1.224 -9.904 468 2HG2 THR 62 2HG2 THR 62 -0.970 0.146 -11.007 469 3HG2 THR 62 1HG2 THR 62 0.030 -1.286 -11.249 470 H ILE 63 HN ILE 63 -1.687 -1.094 -6.982 471 HA ILE 63 HA ILE 63 0.295 -2.855 -5.617 472 HB ILE 63 HB ILE 63 -2.643 -2.348 -5.032 473 1HG1 ILE 63 2HG1 ILE 63 -0.152 -1.494 -3.524 474 2HG1 ILE 63 1HG1 ILE 63 -1.088 -0.437 -4.581 475 1HG2 ILE 63 3HG2 ILE 63 -0.572 -4.155 -3.809 476 2HG2 ILE 63 2HG2 ILE 63 -1.852 -3.479 -2.802 477 3HG2 ILE 63 1HG2 ILE 63 -2.261 -4.496 -4.185 478 1HD1 ILE 63 1HD1 ILE 63 -3.070 -1.417 -2.997 479 2HD1 ILE 63 3HD1 ILE 63 -1.722 -1.430 -1.862 480 3HD1 ILE 63 2HD1 ILE 63 -2.197 0.075 -2.651 481 H SER 64 HN SER 64 -0.018 -5.157 -5.676 482 HA SER 64 HA SER 64 -2.092 -6.233 -7.480 483 1HB SER 64 2HB SER 64 -0.247 -7.549 -8.699 484 2HB SER 64 1HB SER 64 -0.424 -5.848 -9.120 485 HG SER 64 HG SER 64 1.661 -7.155 -7.975 486 H ALA 65 HN ALA 65 -2.940 -7.814 -6.224 487 HA ALA 65 HA ALA 65 -1.233 -9.264 -4.294 488 1HB ALA 65 2HB ALA 65 -3.511 -8.464 -3.648 489 2HB ALA 65 1HB ALA 65 -4.202 -9.547 -4.855 490 3HB ALA 65 3HB ALA 65 -3.329 -10.209 -3.472 491 H SER 66 HN SER 66 -0.441 -11.292 -4.702 492 HA SER 66 HA SER 66 -1.708 -12.917 -6.851 493 1HB SER 66 2HB SER 66 1.243 -12.993 -6.772 494 2HB SER 66 1HB SER 66 0.157 -13.068 -8.151 495 HG SER 66 HG SER 66 -0.033 -10.880 -8.116 496 H GLY 67 HN GLY 67 -2.454 -14.505 -5.464 497 1HA GLY 67 2HA GLY 67 -0.690 -16.542 -4.578 498 2HA GLY 67 1HA GLY 67 -1.054 -15.516 -3.189 499 H ALA 68 HN ALA 68 -2.440 -16.820 -2.026 500 HA ALA 68 HA ALA 68 -4.574 -18.336 -3.343 501 1HB ALA 68 3HB ALA 68 -3.572 -17.999 -0.545 502 2HB ALA 68 2HB ALA 68 -5.232 -18.554 -0.766 503 3HB ALA 68 1HB ALA 68 -3.895 -19.479 -1.450 504 H ASP 69 HN ASP 69 -4.857 -16.093 -0.582 505 HA ASP 69 HA ASP 69 -7.461 -15.182 -1.655 506 1HB ASP 69 2HB ASP 69 -7.634 -14.006 0.559 507 2HB ASP 69 1HB ASP 69 -7.419 -15.750 0.708 508 H GLU 70 HN GLU 70 -5.481 -14.321 -3.302 509 HA GLU 70 HA GLU 70 -4.222 -11.850 -2.667 510 1HB GLU 70 2HB GLU 70 -4.209 -11.517 -5.187 511 2HB GLU 70 1HB GLU 70 -3.507 -13.033 -4.630 512 1HG GLU 70 2HG GLU 70 -5.403 -14.289 -5.288 513 2HG GLU 70 1HG GLU 70 -6.416 -12.851 -5.413 514 H ASN 71 HN ASN 71 -7.495 -12.581 -3.736 515 HA ASN 71 HA ASN 71 -8.197 -9.833 -4.360 516 1HB ASN 71 2HB ASN 71 -9.656 -12.424 -4.069 517 2HB ASN 71 1HB ASN 71 -10.596 -10.938 -3.936 518 1HD2 ASN 71 2HD2 ASN 71 -8.526 -11.208 -7.471 519 2HD2 ASN 71 1HD2 ASN 71 -7.710 -11.451 -6.002 520 H ASP 72 HN ASP 72 -8.436 -11.894 -1.491 521 HA ASP 72 HA ASP 72 -10.052 -10.069 0.050 522 1HB ASP 72 2HB ASP 72 -8.123 -12.155 1.094 523 2HB ASP 72 1HB ASP 72 -9.505 -11.467 1.945 524 H ALA 73 HN ALA 73 -6.621 -10.292 -0.600 525 HA ALA 73 HA ALA 73 -5.829 -8.609 1.641 526 1HB ALA 73 2HB ALA 73 -4.333 -9.455 -0.853 527 2HB ALA 73 1HB ALA 73 -3.612 -8.601 0.512 528 3HB ALA 73 3HB ALA 73 -4.255 -10.229 0.730 529 H LEU 74 HN LEU 74 -6.194 -8.052 -1.889 530 HA LEU 74 HA LEU 74 -5.291 -5.358 -1.838 531 1HB LEU 74 2HB LEU 74 -6.353 -5.087 -4.002 532 2HB LEU 74 1HB LEU 74 -5.607 -6.678 -3.918 533 HG LEU 74 HG LEU 74 -8.008 -7.394 -3.065 534 1HD1 LEU 74 2HD1 LEU 74 -8.456 -4.689 -3.608 535 2HD1 LEU 74 1HD1 LEU 74 -9.119 -5.519 -5.016 536 3HD1 LEU 74 3HD1 LEU 74 -9.697 -5.924 -3.400 537 1HD2 LEU 74 3HD2 LEU 74 -7.287 -6.812 -5.951 538 2HD2 LEU 74 2HD2 LEU 74 -6.924 -8.289 -5.058 539 3HD2 LEU 74 1HD2 LEU 74 -8.596 -7.881 -5.445 540 H ASN 75 HN ASN 75 -8.592 -6.658 -1.360 541 HA ASN 75 HA ASN 75 -9.730 -3.993 -1.110 542 1HB ASN 75 2HB ASN 75 -11.775 -5.111 -0.368 543 2HB ASN 75 1HB ASN 75 -11.120 -5.934 -1.781 544 1HD2 ASN 75 2HD2 ASN 75 -10.959 -7.839 1.863 545 2HD2 ASN 75 1HD2 ASN 75 -11.094 -6.149 1.824 546 H ALA 76 HN ALA 76 -8.165 -6.219 1.078 547 HA ALA 76 HA ALA 76 -9.174 -5.166 3.545 548 1HB ALA 76 1HB ALA 76 -7.571 -7.244 2.943 549 2HB ALA 76 3HB ALA 76 -6.339 -6.075 3.420 550 3HB ALA 76 2HB ALA 76 -7.615 -6.523 4.552 551 H LEU 77 HN LEU 77 -6.070 -4.481 1.877 552 HA LEU 77 HA LEU 77 -5.355 -2.288 3.562 553 1HB LEU 77 2HB LEU 77 -4.569 -2.692 0.665 554 2HB LEU 77 1HB LEU 77 -3.696 -1.758 1.878 555 HG LEU 77 HG LEU 77 -4.135 -4.407 2.918 556 1HD1 LEU 77 2HD1 LEU 77 -4.215 -4.708 0.280 557 2HD1 LEU 77 1HD1 LEU 77 -2.464 -4.576 0.444 558 3HD1 LEU 77 3HD1 LEU 77 -3.336 -5.847 1.301 559 1HD2 LEU 77 3HD2 LEU 77 -2.320 -2.828 3.542 560 2HD2 LEU 77 2HD2 LEU 77 -1.686 -4.402 3.059 561 3HD2 LEU 77 1HD2 LEU 77 -1.607 -3.039 1.942 562 H GLU 78 HN GLU 78 -7.449 -2.511 0.749 563 HA GLU 78 HA GLU 78 -7.531 0.254 0.041 564 1HB GLU 78 2HB GLU 78 -8.493 -1.504 -1.386 565 2HB GLU 78 1HB GLU 78 -9.705 -1.857 -0.159 566 1HG GLU 78 2HG GLU 78 -10.850 0.158 -0.523 567 2HG GLU 78 1HG GLU 78 -9.449 0.933 -1.262 568 H GLU 79 HN GLU 79 -9.796 -1.584 2.140 569 HA GLU 79 HA GLU 79 -11.315 0.661 2.984 570 1HB GLU 79 2HB GLU 79 -11.977 -0.778 4.912 571 2HB GLU 79 1HB GLU 79 -12.100 -1.613 3.363 572 1HG GLU 79 2HG GLU 79 -10.167 -2.893 3.756 573 2HG GLU 79 1HG GLU 79 -9.582 -1.794 5.005 574 H THR 80 HN THR 80 -8.175 -0.495 4.019 575 HA THR 80 HA THR 80 -8.106 0.982 6.516 576 HB THR 80 HB THR 80 -5.729 0.133 4.841 577 HG1 THR 80 HG1 THR 80 -5.891 -1.834 5.878 578 1HG2 THR 80 3HG2 THR 80 -6.201 0.764 7.754 579 2HG2 THR 80 2HG2 THR 80 -4.802 -0.170 7.221 580 3HG2 THR 80 1HG2 THR 80 -5.024 1.486 6.655 581 H MET 81 HN MET 81 -7.226 1.651 3.173 582 HA MET 81 HA MET 81 -5.896 4.166 3.697 583 1HB MET 81 2HB MET 81 -7.057 2.850 1.243 584 2HB MET 81 1HB MET 81 -6.431 4.495 1.177 585 1HG MET 81 2HG MET 81 -4.588 2.688 2.557 586 2HG MET 81 1HG MET 81 -4.938 2.137 0.921 587 1HE MET 81 2HE MET 81 -2.767 2.346 -0.070 588 2HE MET 81 1HE MET 81 -3.937 3.078 -1.166 589 3HE MET 81 3HE MET 81 -2.352 3.828 -0.926 590 H LYS 82 HN LYS 82 -9.223 3.176 3.207 591 HA LYS 82 HA LYS 82 -10.183 5.928 2.832 592 1HB LYS 82 2HB LYS 82 -11.512 3.227 3.045 593 2HB LYS 82 1HB LYS 82 -12.456 4.719 3.057 594 1HG LYS 82 2HG LYS 82 -11.587 5.362 0.892 595 2HG LYS 82 1HG LYS 82 -10.450 4.014 0.897 596 1HD LYS 82 2HD LYS 82 -12.103 3.007 -0.331 597 2HD LYS 82 1HD LYS 82 -12.751 2.649 1.270 598 1HE LYS 82 2HE LYS 82 -13.866 5.029 1.012 599 2HE LYS 82 1HE LYS 82 -13.630 4.722 -0.708 600 1HZ LYS 82 1HZ LYS 82 -14.864 2.689 1.038 601 2HZ LYS 82 3HZ LYS 82 -15.796 3.945 0.378 602 3HZ LYS 82 2HZ LYS 82 -14.983 2.861 -0.648 603 H SER 83 HN SER 83 -9.686 3.704 5.476 604 HA SER 83 HA SER 83 -11.555 4.855 7.331 605 1HB SER 83 2HB SER 83 -10.397 3.599 9.013 606 2HB SER 83 1HB SER 83 -10.371 2.615 7.553 607 HG SER 83 HG SER 83 -8.287 2.666 7.750 608 H GLU 84 HN GLU 84 -8.037 5.359 6.893 609 HA GLU 84 HA GLU 84 -8.177 7.729 8.668 610 1HB GLU 84 2HB GLU 84 -5.813 6.428 7.276 611 2HB GLU 84 1HB GLU 84 -5.715 7.745 8.445 612 1HG GLU 84 2HG GLU 84 -6.845 6.276 10.126 613 2HG GLU 84 1HG GLU 84 -6.774 4.952 8.962 614 H GLY 85 HN GLY 85 -7.361 6.881 5.310 615 1HA GLY 85 2HA GLY 85 -8.134 8.420 3.521 616 2HA GLY 85 1HA GLY 85 -7.750 9.761 4.601 617 H LEU 86 HN LEU 86 -5.825 6.858 3.864 618 HA LEU 86 HA LEU 86 -3.457 8.527 3.423 619 1HB LEU 86 2HB LEU 86 -3.919 5.538 3.268 620 2HB LEU 86 1HB LEU 86 -2.351 6.301 3.007 621 HG LEU 86 HG LEU 86 -4.013 6.620 5.522 622 1HD1 LEU 86 2HD1 LEU 86 -2.916 4.309 4.914 623 2HD1 LEU 86 1HD1 LEU 86 -1.416 5.125 5.355 624 3HD1 LEU 86 3HD1 LEU 86 -2.715 4.970 6.537 625 1HD2 LEU 86 3HD2 LEU 86 -1.373 7.673 4.554 626 2HD2 LEU 86 2HD2 LEU 86 -2.636 8.500 5.465 627 3HD2 LEU 86 1HD2 LEU 86 -1.578 7.344 6.275 628 H GLY 87 HN GLY 87 -5.778 6.731 1.482 629 1HA GLY 87 2HA GLY 87 -5.076 8.168 -0.915 630 2HA GLY 87 1HA GLY 87 -4.425 6.530 -0.970 631 H GLU 88 HN GLU 88 -6.308 7.202 -2.843 632 HA GLU 88 HA GLU 88 -8.638 5.561 -1.972 633 1HB GLU 88 2HB GLU 88 -10.132 7.093 -3.277 634 2HB GLU 88 1HB GLU 88 -9.410 7.867 -1.865 635 1HG GLU 88 2HG GLU 88 -7.550 8.654 -3.459 636 2HG GLU 88 1HG GLU 88 -8.636 8.187 -4.767 No H/Q in entry = 636 Start of MODEL 2 1 1H ALA 2 3HT ALA 2 -4.958 -9.894 -9.567 2 2H ALA 2 2HT ALA 2 -6.397 -10.783 -9.740 3 3H ALA 2 1HT ALA 2 -6.263 -9.236 -10.428 4 HA ALA 2 HA ALA 2 -7.492 -8.796 -8.549 5 1HB ALA 2 1HB ALA 2 -6.974 -11.233 -7.745 6 2HB ALA 2 3HB ALA 2 -5.685 -10.463 -6.820 7 3HB ALA 2 2HB ALA 2 -7.364 -9.999 -6.545 8 H GLN 3 HN GLN 3 -6.212 -6.872 -9.270 9 HA GLN 3 HA GLN 3 -4.225 -6.114 -7.170 10 1HB GLN 3 2HB GLN 3 -3.092 -4.729 -8.977 11 2HB GLN 3 1HB GLN 3 -2.909 -6.473 -9.148 12 1HG GLN 3 2HG GLN 3 -4.913 -6.426 -10.702 13 2HG GLN 3 1HG GLN 3 -4.808 -4.666 -10.662 14 1HE2 GLN 3 2HE2 GLN 3 -2.083 -4.534 -12.900 15 2HE2 GLN 3 1HE2 GLN 3 -3.205 -3.668 -11.966 16 H LYS 4 HN LYS 4 -4.232 -3.836 -6.641 17 HA LYS 4 HA LYS 4 -6.515 -2.275 -7.754 18 1HB LYS 4 2HB LYS 4 -6.491 -3.482 -5.179 19 2HB LYS 4 1HB LYS 4 -6.273 -1.751 -4.923 20 1HG LYS 4 2HG LYS 4 -8.239 -1.775 -6.841 21 2HG LYS 4 1HG LYS 4 -8.630 -3.225 -5.918 22 1HD LYS 4 2HD LYS 4 -8.446 -1.809 -3.818 23 2HD LYS 4 1HD LYS 4 -8.353 -0.397 -4.870 24 1HE LYS 4 2HE LYS 4 -10.552 -1.879 -5.823 25 2HE LYS 4 1HE LYS 4 -10.686 -1.923 -4.066 26 1HZ LYS 4 1HZ LYS 4 -10.121 0.604 -4.323 27 2HZ LYS 4 3HZ LYS 4 -10.755 0.377 -5.882 28 3HZ LYS 4 2HZ LYS 4 -11.714 0.043 -4.519 29 H THR 5 HN THR 5 -5.903 -0.228 -8.234 30 HA THR 5 HA THR 5 -3.254 0.706 -7.252 31 HB THR 5 HB THR 5 -5.005 1.864 -9.442 32 HG1 THR 5 HG1 THR 5 -3.801 0.678 -10.823 33 1HG2 THR 5 2HG2 THR 5 -3.203 3.287 -8.245 34 2HG2 THR 5 1HG2 THR 5 -2.039 2.238 -9.054 35 3HG2 THR 5 3HG2 THR 5 -3.155 3.215 -10.007 36 H PHE 6 HN PHE 6 -3.079 2.487 -5.934 37 HA PHE 6 HA PHE 6 -5.621 3.901 -5.229 38 1HB PHE 6 2HB PHE 6 -3.225 3.341 -3.456 39 2HB PHE 6 1HB PHE 6 -4.688 4.197 -2.970 40 HD1 PHE 6 1HD PHE 6 -3.335 0.920 -4.064 41 HD2 PHE 6 2HD PHE 6 -6.714 3.027 -2.460 42 HE1 PHE 6 1HE PHE 6 -4.431 -1.242 -3.543 43 HE2 PHE 6 2HE PHE 6 -7.813 0.861 -1.936 44 HZ PHE 6 HZ PHE 6 -6.670 -1.272 -2.480 45 H LYS 7 HN LYS 7 -5.034 6.113 -4.143 46 HA LYS 7 HA LYS 7 -2.873 7.405 -5.769 47 1HB LYS 7 2HB LYS 7 -5.504 7.931 -6.065 48 2HB LYS 7 1HB LYS 7 -5.138 9.050 -4.752 49 1HG LYS 7 2HG LYS 7 -3.181 9.001 -6.984 50 2HG LYS 7 1HG LYS 7 -4.769 9.662 -7.371 51 1HD LYS 7 2HD LYS 7 -4.336 10.886 -4.995 52 2HD LYS 7 1HD LYS 7 -2.673 10.721 -5.553 53 1HE LYS 7 2HE LYS 7 -4.415 11.613 -7.709 54 2HE LYS 7 1HE LYS 7 -4.497 12.703 -6.325 55 1HZ LYS 7 1HZ LYS 7 -2.027 12.695 -6.322 56 2HZ LYS 7 3HZ LYS 7 -2.066 11.839 -7.787 57 3HZ LYS 7 2HZ LYS 7 -2.718 13.407 -7.701 58 H VAL 8 HN VAL 8 -1.327 8.435 -4.587 59 HA VAL 8 HA VAL 8 -1.643 8.536 -1.652 60 HB VAL 8 HB VAL 8 0.752 9.341 -3.328 61 1HG1 VAL 8 2HG1 VAL 8 0.597 10.107 -0.919 62 2HG1 VAL 8 1HG1 VAL 8 0.587 8.406 -0.452 63 3HG1 VAL 8 3HG1 VAL 8 1.990 9.086 -1.277 64 1HG2 VAL 8 3HG2 VAL 8 -0.193 6.668 -2.311 65 2HG2 VAL 8 2HG2 VAL 8 0.466 7.078 -3.894 66 3HG2 VAL 8 1HG2 VAL 8 1.531 6.989 -2.491 67 H THR 9 HN THR 9 -2.607 10.325 -0.827 68 HA THR 9 HA THR 9 -1.768 12.981 -1.887 69 HB THR 9 HB THR 9 -4.608 12.626 -1.030 70 HG1 THR 9 HG1 THR 9 -4.345 10.953 -2.488 71 1HG2 THR 9 2HG2 THR 9 -3.034 14.374 -2.910 72 2HG2 THR 9 1HG2 THR 9 -4.790 14.274 -3.026 73 3HG2 THR 9 3HG2 THR 9 -4.036 14.850 -1.540 74 H ALA 10 HN ALA 10 -1.427 11.166 0.672 75 HA ALA 10 HA ALA 10 -2.601 12.784 2.784 76 1HB ALA 10 2HB ALA 10 -2.096 10.340 3.032 77 2HB ALA 10 1HB ALA 10 -0.377 10.732 2.969 78 3HB ALA 10 3HB ALA 10 -1.371 11.330 4.298 79 H ASP 11 HN ASP 11 -1.447 14.214 4.179 80 HA ASP 11 HA ASP 11 0.534 15.856 2.939 81 1HB ASP 11 2HB ASP 11 -1.052 16.415 4.904 82 2HB ASP 11 1HB ASP 11 0.166 15.653 5.928 83 H SER 12 HN SER 12 0.847 13.429 5.548 84 HA SER 12 HA SER 12 3.723 13.625 5.688 85 1HB SER 12 2HB SER 12 3.362 11.240 6.759 86 2HB SER 12 1HB SER 12 2.819 12.680 7.615 87 HG SER 12 HG SER 12 0.968 11.664 7.574 88 H GLY 13 HN GLY 13 1.494 11.774 3.709 89 1HA GLY 13 2HA GLY 13 2.047 10.744 1.624 90 2HA GLY 13 1HA GLY 13 3.757 10.880 2.039 91 H ILE 14 HN ILE 14 4.114 8.641 1.531 92 HA ILE 14 HA ILE 14 2.868 6.731 3.467 93 HB ILE 14 HB ILE 14 4.134 6.105 0.782 94 1HG1 ILE 14 2HG1 ILE 14 1.199 6.203 1.548 95 2HG1 ILE 14 1HG1 ILE 14 2.026 7.458 0.625 96 1HG2 ILE 14 2HG2 ILE 14 3.964 4.381 2.765 97 2HG2 ILE 14 1HG2 ILE 14 2.258 4.333 2.320 98 3HG2 ILE 14 3HG2 ILE 14 3.490 3.890 1.138 99 1HD1 ILE 14 1HD1 ILE 14 1.894 4.548 -0.213 100 2HD1 ILE 14 3HD1 ILE 14 0.808 5.800 -0.816 101 3HD1 ILE 14 2HD1 ILE 14 2.537 5.892 -1.157 102 1HN HIP 15 HN HIP 15 4.569 7.481 4.994 103 HA HIP 15 HA HIP 15 7.278 6.485 4.323 104 1HB HIP 15 1HB HIP 15 7.040 8.839 5.161 105 2HB HIP 15 2HB HIP 15 8.118 7.845 6.118 106 HD2 HIP 15 2HD HIP 15 4.213 8.535 6.503 107 HE2 HIP 15 2HE HIP 15 3.859 9.015 9.029 108 HE1 HIP 15 1HE HIP 15 6.066 8.917 10.261 109 H ALA 16 HN ALA 16 7.810 6.236 7.347 110 HA ALA 16 HA ALA 16 7.353 3.416 7.487 111 1HB ALA 16 2HB ALA 16 9.047 5.096 8.737 112 2HB ALA 16 1HB ALA 16 7.854 4.876 10.017 113 3HB ALA 16 3HB ALA 16 8.683 3.477 9.334 114 H ARG 17 HN ARG 17 5.667 6.118 9.159 115 HA ARG 17 HA ARG 17 4.080 4.559 10.883 116 1HB ARG 17 2HB ARG 17 4.212 7.247 10.239 117 2HB ARG 17 1HB ARG 17 2.583 6.804 9.740 118 1HG ARG 17 2HG ARG 17 2.097 7.174 11.940 119 2HG ARG 17 1HG ARG 17 2.706 5.529 12.131 120 1HD ARG 17 2HD ARG 17 3.842 6.892 13.758 121 2HD ARG 17 1HD ARG 17 5.008 6.528 12.485 122 HE ARG 17 HE ARG 17 4.054 8.899 11.608 123 1HH1 ARG 17 HH21 ARG 17 3.039 10.248 13.719 124 2HH1 ARG 17 HH22 ARG 17 4.359 10.741 14.725 125 1HH2 ARG 17 HH11 ARG 17 6.599 8.481 13.350 126 2HH2 ARG 17 HH12 ARG 17 6.375 9.741 14.516 127 HA PRO 18 HA PRO 18 0.674 4.119 7.573 128 1HB PRO 18 2HB PRO 18 1.293 4.752 4.964 129 2HB PRO 18 1HB PRO 18 0.534 5.879 6.103 130 1HG PRO 18 2HG PRO 18 3.366 5.782 5.155 131 2HG PRO 18 1HG PRO 18 2.401 7.176 5.672 132 1HD PRO 18 2HD PRO 18 4.341 5.905 7.235 133 2HD PRO 18 1HD PRO 18 3.061 6.958 7.862 134 H ALA 19 HN ALA 19 4.020 3.440 6.811 135 HA ALA 19 HA ALA 19 3.495 1.139 5.115 136 1HB ALA 19 3HB ALA 19 5.652 2.440 5.125 137 2HB ALA 19 2HB ALA 19 5.993 1.762 6.717 138 3HB ALA 19 1HB ALA 19 5.868 0.701 5.314 139 H THR 20 HN THR 20 3.575 1.727 8.551 140 HA THR 20 HA THR 20 3.926 -1.094 9.267 141 HB THR 20 HB THR 20 2.838 0.916 11.195 142 HG1 THR 20 HG1 THR 20 4.518 2.152 11.057 143 1HG2 THR 20 1HG2 THR 20 3.680 -1.620 11.475 144 2HG2 THR 20 3HG2 THR 20 5.222 -0.794 11.694 145 3HG2 THR 20 2HG2 THR 20 3.863 -0.420 12.755 146 H VAL 21 HN VAL 21 1.306 1.185 8.742 147 HA VAL 21 HA VAL 21 -0.769 -0.458 9.945 148 HB VAL 21 HB VAL 21 -1.082 1.661 7.826 149 1HG1 VAL 21 1HG1 VAL 21 -2.984 0.025 8.626 150 2HG1 VAL 21 3HG1 VAL 21 -3.014 1.072 10.046 151 3HG1 VAL 21 2HG1 VAL 21 -3.328 1.745 8.446 152 1HG2 VAL 21 3HG2 VAL 21 -0.791 1.889 10.832 153 2HG2 VAL 21 2HG2 VAL 21 0.168 2.699 9.591 154 3HG2 VAL 21 1HG2 VAL 21 -1.514 3.163 9.849 155 H LEU 22 HN LEU 22 0.483 0.052 6.695 156 HA LEU 22 HA LEU 22 -1.433 -1.660 5.381 157 1HB LEU 22 2HB LEU 22 1.280 -0.619 4.532 158 2HB LEU 22 1HB LEU 22 0.147 -1.445 3.458 159 HG LEU 22 HG LEU 22 -0.484 1.087 5.009 160 1HD1 LEU 22 3HD1 LEU 22 0.514 0.575 2.209 161 2HD1 LEU 22 2HD1 LEU 22 -0.501 1.980 2.546 162 3HD1 LEU 22 1HD1 LEU 22 1.048 1.793 3.369 163 1HD2 LEU 22 2HD2 LEU 22 -1.980 -0.623 3.015 164 2HD2 LEU 22 1HD2 LEU 22 -2.528 -0.029 4.583 165 3HD2 LEU 22 3HD2 LEU 22 -2.374 1.085 3.223 166 H VAL 23 HN VAL 23 1.950 -2.122 6.463 167 HA VAL 23 HA VAL 23 2.241 -4.771 5.441 168 HB VAL 23 HB VAL 23 4.150 -3.405 6.245 169 1HG1 VAL 23 1HG1 VAL 23 2.897 -2.484 8.235 170 2HG1 VAL 23 3HG1 VAL 23 3.147 -4.036 9.033 171 3HG1 VAL 23 2HG1 VAL 23 4.532 -3.035 8.593 172 1HG2 VAL 23 3HG2 VAL 23 3.894 -6.095 6.394 173 2HG2 VAL 23 2HG2 VAL 23 5.375 -5.249 6.847 174 3HG2 VAL 23 1HG2 VAL 23 4.224 -5.738 8.090 175 H GLN 24 HN GLN 24 0.693 -3.540 8.340 176 HA GLN 24 HA GLN 24 0.495 -6.044 9.749 177 1HB GLN 24 2HB GLN 24 -0.972 -3.416 9.890 178 2HB GLN 24 1HB GLN 24 -1.526 -4.798 10.834 179 1HG GLN 24 2HG GLN 24 1.319 -4.589 11.144 180 2HG GLN 24 1HG GLN 24 0.616 -2.998 11.430 181 1HE2 GLN 24 2HE2 GLN 24 -1.559 -4.446 14.090 182 2HE2 GLN 24 1HE2 GLN 24 -1.819 -3.603 12.639 183 H THR 25 HN THR 25 -1.742 -4.325 7.556 184 HA THR 25 HA THR 25 -3.852 -6.260 7.700 185 HB THR 25 HB THR 25 -3.239 -4.596 5.255 186 HG1 THR 25 HG1 THR 25 -4.401 -2.939 6.362 187 1HG2 THR 25 2HG2 THR 25 -5.135 -6.201 5.197 188 2HG2 THR 25 1HG2 THR 25 -5.829 -5.401 6.607 189 3HG2 THR 25 3HG2 THR 25 -5.677 -4.526 5.083 190 H ALA 26 HN ALA 26 -1.503 -5.737 5.051 191 HA ALA 26 HA ALA 26 -2.086 -8.101 3.619 192 1HB ALA 26 2HB ALA 26 -0.666 -6.120 2.873 193 2HB ALA 26 1HB ALA 26 0.657 -6.844 3.788 194 3HB ALA 26 3HB ALA 26 -0.055 -7.713 2.428 195 H SER 27 HN SER 27 -0.308 -7.702 6.589 196 HA SER 27 HA SER 27 1.386 -9.991 6.469 197 1HB SER 27 2HB SER 27 1.634 -8.350 8.253 198 2HB SER 27 1HB SER 27 0.015 -8.702 8.848 199 HG SER 27 HG SER 27 2.318 -9.934 9.403 200 H LYS 28 HN LYS 28 -2.005 -9.642 7.471 201 HA LYS 28 HA LYS 28 -2.352 -12.361 8.339 202 1HB LYS 28 2HB LYS 28 -4.156 -10.094 7.599 203 2HB LYS 28 1HB LYS 28 -4.850 -11.715 7.650 204 1HG LYS 28 2HG LYS 28 -5.146 -10.954 9.853 205 2HG LYS 28 1HG LYS 28 -3.660 -11.899 9.961 206 1HD LYS 28 2HD LYS 28 -2.354 -9.790 9.626 207 2HD LYS 28 1HD LYS 28 -3.868 -8.887 9.684 208 1HE LYS 28 2HE LYS 28 -4.276 -9.524 11.948 209 2HE LYS 28 1HE LYS 28 -3.016 -10.757 11.902 210 1HZ LYS 28 1HZ LYS 28 -1.449 -8.838 11.426 211 2HZ LYS 28 3HZ LYS 28 -2.707 -7.818 11.930 212 3HZ LYS 28 2HZ LYS 28 -2.058 -8.960 13.008 213 H TYR 29 HN TYR 29 -2.542 -10.768 5.205 214 HA TYR 29 HA TYR 29 -3.570 -13.222 3.912 215 1HB TYR 29 2HB TYR 29 -2.739 -10.587 2.653 216 2HB TYR 29 1HB TYR 29 -3.657 -11.881 1.880 217 HD1 TYR 29 2HD TYR 29 -5.943 -12.484 2.768 218 HD2 TYR 29 1HD TYR 29 -3.812 -8.985 4.058 219 HE1 TYR 29 2HE TYR 29 -8.050 -11.527 3.658 220 HE2 TYR 29 1HE TYR 29 -5.919 -8.030 4.947 221 HH TYR 29 HH TYR 29 -8.338 -9.381 5.791 222 H ASP 30 HN ASP 30 -2.255 -14.685 2.932 223 HA ASP 30 HA ASP 30 0.657 -14.121 2.887 224 1HB ASP 30 2HB ASP 30 -0.934 -16.673 2.510 225 2HB ASP 30 1HB ASP 30 0.822 -16.582 2.383 226 H ALA 31 HN ALA 31 -1.607 -13.288 0.819 227 HA ALA 31 HA ALA 31 -0.880 -14.596 -1.646 228 1HB ALA 31 3HB ALA 31 -2.945 -13.026 -0.960 229 2HB ALA 31 2HB ALA 31 -1.905 -11.792 -1.672 230 3HB ALA 31 1HB ALA 31 -2.411 -13.180 -2.633 231 H ASP 32 HN ASP 32 -0.054 -13.016 -3.505 232 HA ASP 32 HA ASP 32 2.536 -11.924 -2.537 233 1HB ASP 32 2HB ASP 32 1.550 -12.634 -5.319 234 2HB ASP 32 1HB ASP 32 3.136 -11.940 -4.976 235 H VAL 33 HN VAL 33 1.379 -10.009 -1.666 236 HA VAL 33 HA VAL 33 0.209 -8.163 -3.656 237 HB VAL 33 HB VAL 33 -0.137 -6.690 -1.642 238 1HG1 VAL 33 2HG1 VAL 33 -1.287 -9.365 -2.111 239 2HG1 VAL 33 1HG1 VAL 33 -1.550 -8.749 -0.478 240 3HG1 VAL 33 3HG1 VAL 33 -2.096 -7.816 -1.871 241 1HG2 VAL 33 3HG2 VAL 33 1.838 -8.299 -0.521 242 2HG2 VAL 33 2HG2 VAL 33 0.814 -7.168 0.360 243 3HG2 VAL 33 1HG2 VAL 33 0.364 -8.869 0.258 244 H ASN 34 HN ASN 34 2.119 -7.769 -4.898 245 HA ASN 34 HA ASN 34 4.406 -6.472 -3.552 246 1HB ASN 34 2HB ASN 34 3.963 -7.037 -6.499 247 2HB ASN 34 1HB ASN 34 5.485 -6.580 -5.732 248 1HD2 ASN 34 2HD2 ASN 34 6.272 -9.943 -5.100 249 2HD2 ASN 34 1HD2 ASN 34 6.807 -8.383 -5.501 250 H LEU 35 HN LEU 35 4.499 -4.317 -3.328 251 HA LEU 35 HA LEU 35 2.605 -2.600 -4.812 252 1HB LEU 35 2HB LEU 35 2.737 -2.175 -2.434 253 2HB LEU 35 1HB LEU 35 4.494 -2.097 -2.489 254 HG LEU 35 HG LEU 35 4.323 -0.062 -3.930 255 1HD1 LEU 35 1HD1 LEU 35 1.869 -0.803 -4.596 256 2HD1 LEU 35 3HD1 LEU 35 1.428 0.158 -3.187 257 3HD1 LEU 35 2HD1 LEU 35 2.299 0.902 -4.527 258 1HD2 LEU 35 2HD2 LEU 35 4.270 -0.171 -1.285 259 2HD2 LEU 35 1HD2 LEU 35 4.038 1.365 -2.118 260 3HD2 LEU 35 3HD2 LEU 35 2.645 0.477 -1.505 261 H GLU 36 HN GLU 36 3.254 -1.276 -6.472 262 HA GLU 36 HA GLU 36 6.188 -1.118 -7.037 263 1HB GLU 36 2HB GLU 36 4.876 -2.495 -8.676 264 2HB GLU 36 1HB GLU 36 3.930 -1.055 -9.060 265 1HG GLU 36 2HG GLU 36 6.314 0.031 -9.420 266 2HG GLU 36 1HG GLU 36 6.808 -1.646 -9.657 267 H TYR 37 HN TYR 37 7.008 0.920 -7.120 268 HA TYR 37 HA TYR 37 5.061 3.180 -7.308 269 1HB TYR 37 2HB TYR 37 6.173 3.008 -5.097 270 2HB TYR 37 1HB TYR 37 7.743 3.119 -5.886 271 HD1 TYR 37 1HD TYR 37 4.583 5.003 -6.639 272 HD2 TYR 37 2HD TYR 37 8.622 5.186 -5.179 273 HE1 TYR 37 1HE TYR 37 4.453 7.477 -6.585 274 HE2 TYR 37 2HE TYR 37 8.489 7.661 -5.128 275 HH TYR 37 HH TYR 37 6.683 9.438 -6.676 276 H ASN 38 HN ASN 38 5.410 2.847 -9.692 277 HA ASN 38 HA ASN 38 6.422 3.409 -11.736 278 1HB ASN 38 2HB ASN 38 5.923 5.637 -10.534 279 2HB ASN 38 1HB ASN 38 7.658 5.705 -10.225 280 1HD2 ASN 38 2HD2 ASN 38 6.267 6.218 -14.045 281 2HD2 ASN 38 1HD2 ASN 38 5.233 5.607 -12.846 282 H GLY 39 HN GLY 39 7.932 1.596 -11.775 283 1HA GLY 39 2HA GLY 39 10.159 1.056 -12.470 284 2HA GLY 39 1HA GLY 39 10.729 2.518 -11.675 285 H LYS 40 HN LYS 40 9.463 2.043 -9.117 286 HA LYS 40 HA LYS 40 11.366 0.030 -8.091 287 1HB LYS 40 2HB LYS 40 9.678 2.193 -6.874 288 2HB LYS 40 1HB LYS 40 10.261 0.879 -5.851 289 1HG LYS 40 2HG LYS 40 12.042 2.565 -7.634 290 2HG LYS 40 1HG LYS 40 11.817 2.845 -5.907 291 1HD LYS 40 2HD LYS 40 12.424 0.229 -5.819 292 2HD LYS 40 1HD LYS 40 13.288 0.658 -7.296 293 1HE LYS 40 2HE LYS 40 14.781 2.016 -6.196 294 2HE LYS 40 1HE LYS 40 13.602 2.495 -4.973 295 1HZ LYS 40 2HZ LYS 40 13.768 0.112 -4.171 296 2HZ LYS 40 1HZ LYS 40 15.166 -0.009 -5.130 297 3HZ LYS 40 3HZ LYS 40 15.103 1.117 -3.863 298 H THR 41 HN THR 41 10.593 -1.602 -6.500 299 HA THR 41 HA THR 41 7.730 -2.306 -6.657 300 HB THR 41 HB THR 41 9.869 -4.268 -7.535 301 HG1 THR 41 HG1 THR 41 9.607 -2.806 -9.159 302 1HG2 THR 41 2HG2 THR 41 7.429 -4.798 -6.432 303 2HG2 THR 41 1HG2 THR 41 7.010 -4.700 -8.142 304 3HG2 THR 41 3HG2 THR 41 8.231 -5.849 -7.599 305 H VAL 42 HN VAL 42 8.136 -1.684 -4.351 306 HA VAL 42 HA VAL 42 9.664 -3.686 -2.780 307 HB VAL 42 HB VAL 42 8.896 -2.234 -0.810 308 1HG1 VAL 42 2HG1 VAL 42 10.861 -1.636 -2.921 309 2HG1 VAL 42 1HG1 VAL 42 10.446 -0.253 -1.908 310 3HG1 VAL 42 3HG1 VAL 42 11.070 -1.729 -1.172 311 1HG2 VAL 42 3HG2 VAL 42 7.035 -1.164 -2.202 312 2HG2 VAL 42 2HG2 VAL 42 8.025 -0.053 -1.255 313 3HG2 VAL 42 1HG2 VAL 42 8.299 -0.221 -2.989 314 H ASN 43 HN ASN 43 8.669 -5.077 -1.303 315 HA ASN 43 HA ASN 43 5.961 -5.884 -1.946 316 1HB ASN 43 2HB ASN 43 7.946 -7.318 -1.038 317 2HB ASN 43 1HB ASN 43 7.429 -6.736 0.545 318 1HD2 ASN 43 2HD2 ASN 43 4.887 -9.189 -1.569 319 2HD2 ASN 43 1HD2 ASN 43 6.032 -8.265 -2.414 320 H LEU 44 HN LEU 44 4.074 -5.508 -0.763 321 HA LEU 44 HA LEU 44 3.796 -3.121 0.724 322 1HB LEU 44 2HB LEU 44 1.995 -4.651 -0.367 323 2HB LEU 44 1HB LEU 44 2.020 -5.530 1.157 324 HG LEU 44 HG LEU 44 0.223 -3.789 1.038 325 1HD1 LEU 44 3HD1 LEU 44 1.784 -4.480 3.153 326 2HD1 LEU 44 2HD1 LEU 44 1.994 -2.728 3.151 327 3HD1 LEU 44 1HD1 LEU 44 0.378 -3.422 3.270 328 1HD2 LEU 44 3HD2 LEU 44 1.681 -2.157 -0.291 329 2HD2 LEU 44 2HD2 LEU 44 0.732 -1.454 1.020 330 3HD2 LEU 44 1HD2 LEU 44 2.455 -1.754 1.241 331 H LYS 45 HN LYS 45 4.783 -6.321 1.736 332 HA LYS 45 HA LYS 45 4.622 -5.611 4.604 333 1HB LYS 45 2HB LYS 45 5.448 -8.119 3.116 334 2HB LYS 45 1HB LYS 45 5.629 -7.948 4.862 335 1HG LYS 45 2HG LYS 45 3.522 -8.868 4.832 336 2HG LYS 45 1HG LYS 45 3.069 -7.174 4.647 337 1HD LYS 45 2HD LYS 45 1.885 -8.272 2.919 338 2HD LYS 45 1HD LYS 45 3.293 -7.593 2.105 339 1HE LYS 45 2HE LYS 45 3.185 -9.829 1.326 340 2HE LYS 45 1HE LYS 45 4.432 -9.859 2.575 341 1HZ LYS 45 2HZ LYS 45 2.471 -10.415 4.124 342 2HZ LYS 45 1HZ LYS 45 1.663 -10.856 2.694 343 3HZ LYS 45 3HZ LYS 45 3.101 -11.642 3.130 344 H SER 46 HN SER 46 6.235 -3.808 3.537 345 HA SER 46 HA SER 46 8.907 -4.548 4.544 346 1HB SER 46 2HB SER 46 8.609 -4.876 1.906 347 2HB SER 46 1HB SER 46 8.865 -3.132 1.902 348 HG SER 46 HG SER 46 10.555 -5.199 2.828 349 H ILE 47 HN ILE 47 8.426 -3.039 6.192 350 HA ILE 47 HA ILE 47 7.481 -0.378 5.703 351 HB ILE 47 HB ILE 47 9.118 -1.366 8.054 352 1HG1 ILE 47 2HG1 ILE 47 6.132 -1.464 7.477 353 2HG1 ILE 47 1HG1 ILE 47 7.205 -2.837 7.722 354 1HG2 ILE 47 3HG2 ILE 47 8.611 1.173 7.568 355 2HG2 ILE 47 2HG2 ILE 47 6.989 0.758 8.119 356 3HG2 ILE 47 1HG2 ILE 47 8.369 0.535 9.192 357 1HD1 ILE 47 2HD1 ILE 47 7.660 -1.503 10.032 358 2HD1 ILE 47 1HD1 ILE 47 5.993 -1.016 9.727 359 3HD1 ILE 47 3HD1 ILE 47 6.401 -2.726 9.859 360 H MET 48 HN MET 48 10.721 -1.772 5.941 361 HA MET 48 HA MET 48 12.082 0.794 5.806 362 1HB MET 48 2HB MET 48 12.906 -1.612 6.622 363 2HB MET 48 1HB MET 48 13.438 -1.724 4.943 364 1HG MET 48 2HG MET 48 14.380 0.709 5.434 365 2HG MET 48 1HG MET 48 14.354 0.137 7.101 366 1HE MET 48 3HE MET 48 15.171 -1.774 7.945 367 2HE MET 48 2HE MET 48 15.270 -3.145 6.841 368 3HE MET 48 1HE MET 48 16.742 -2.481 7.546 369 H GLY 49 HN GLY 49 10.793 -1.458 3.461 370 1HA GLY 49 2HA GLY 49 12.361 -0.414 1.227 371 2HA GLY 49 1HA GLY 49 11.006 -1.535 1.106 372 H VAL 50 HN VAL 50 9.230 0.255 2.685 373 HA VAL 50 HA VAL 50 8.151 1.782 0.491 374 HB VAL 50 HB VAL 50 7.532 1.988 3.457 375 1HG1 VAL 50 3HG1 VAL 50 6.347 3.159 0.980 376 2HG1 VAL 50 2HG1 VAL 50 5.228 2.602 2.224 377 3HG1 VAL 50 1HG1 VAL 50 6.434 3.831 2.608 378 1HG2 VAL 50 2HG2 VAL 50 7.278 -0.257 1.972 379 2HG2 VAL 50 1HG2 VAL 50 6.131 0.179 3.239 380 3HG2 VAL 50 3HG2 VAL 50 5.761 0.538 1.553 381 H VAL 51 HN VAL 51 9.961 2.679 3.428 382 HA VAL 51 HA VAL 51 9.927 5.505 2.974 383 HB VAL 51 HB VAL 51 12.084 3.883 4.360 384 1HG1 VAL 51 2HG1 VAL 51 11.322 6.783 4.247 385 2HG1 VAL 51 1HG1 VAL 51 12.008 6.138 5.738 386 3HG1 VAL 51 3HG1 VAL 51 12.926 6.050 4.235 387 1HG2 VAL 51 3HG2 VAL 51 9.304 4.648 5.126 388 2HG2 VAL 51 2HG2 VAL 51 10.252 3.238 5.600 389 3HG2 VAL 51 1HG2 VAL 51 10.547 4.799 6.367 390 H SER 52 HN SER 52 11.911 2.913 1.677 391 HA SER 52 HA SER 52 14.000 4.606 0.613 392 1HB SER 52 2HB SER 52 14.780 2.657 -0.510 393 2HB SER 52 1HB SER 52 14.098 2.074 1.006 394 HG SER 52 HG SER 52 13.449 0.952 -0.992 395 H LEU 53 HN LEU 53 10.811 3.681 -0.493 396 HA LEU 53 HA LEU 53 11.089 4.172 -3.279 397 1HB LEU 53 2HB LEU 53 8.745 4.460 -1.391 398 2HB LEU 53 1HB LEU 53 8.599 4.758 -3.123 399 HG LEU 53 HG LEU 53 9.653 2.183 -1.922 400 1HD1 LEU 53 2HD1 LEU 53 6.914 3.135 -2.572 401 2HD1 LEU 53 1HD1 LEU 53 7.320 1.510 -3.125 402 3HD1 LEU 53 3HD1 LEU 53 7.436 1.913 -1.413 403 1HD2 LEU 53 2HD2 LEU 53 9.323 3.281 -4.667 404 2HD2 LEU 53 1HD2 LEU 53 10.497 2.116 -4.056 405 3HD2 LEU 53 3HD2 LEU 53 8.856 1.596 -4.441 406 H GLY 54 HN GLY 54 10.629 6.387 -0.567 407 1HA GLY 54 2HA GLY 54 11.043 8.711 -0.491 408 2HA GLY 54 1HA GLY 54 11.547 8.634 -2.181 409 H ILE 55 HN ILE 55 8.449 7.547 -0.852 410 HA ILE 55 HA ILE 55 6.986 9.031 -2.885 411 HB ILE 55 HB ILE 55 5.886 7.643 -0.421 412 1HG1 ILE 55 2HG1 ILE 55 6.151 6.440 -3.182 413 2HG1 ILE 55 1HG1 ILE 55 7.419 6.251 -1.972 414 1HG2 ILE 55 2HG2 ILE 55 4.726 8.540 -3.065 415 2HG2 ILE 55 1HG2 ILE 55 3.927 7.339 -2.050 416 3HG2 ILE 55 3HG2 ILE 55 4.192 8.973 -1.441 417 1HD1 ILE 55 1HD1 ILE 55 4.613 5.654 -1.142 418 2HD1 ILE 55 3HD1 ILE 55 5.430 4.486 -2.181 419 3HD1 ILE 55 2HD1 ILE 55 6.122 4.908 -0.615 420 H ALA 56 HN ALA 56 5.221 10.595 -2.267 421 HA ALA 56 HA ALA 56 5.674 12.036 0.279 422 1HB ALA 56 1HB ALA 56 7.102 12.880 -1.839 423 2HB ALA 56 3HB ALA 56 5.601 13.749 -2.158 424 3HB ALA 56 2HB ALA 56 6.455 13.996 -0.635 425 H LYS 57 HN LYS 57 4.163 14.321 -0.380 426 HA LYS 57 HA LYS 57 1.458 13.164 -0.388 427 1HB LYS 57 2HB LYS 57 0.761 15.529 0.079 428 2HB LYS 57 1HB LYS 57 1.930 14.901 1.241 429 1HG LYS 57 2HG LYS 57 3.605 16.279 0.513 430 2HG LYS 57 1HG LYS 57 3.052 16.243 -1.160 431 1HD LYS 57 2HD LYS 57 1.019 17.609 -0.287 432 2HD LYS 57 1HD LYS 57 2.032 17.929 1.121 433 1HE LYS 57 2HE LYS 57 3.230 18.335 -1.588 434 2HE LYS 57 1HE LYS 57 2.082 19.537 -1.000 435 1HZ LYS 57 3HZ LYS 57 4.495 18.610 0.462 436 2HZ LYS 57 2HZ LYS 57 4.362 20.079 -0.382 437 3HZ LYS 57 1HZ LYS 57 3.404 19.795 0.992 438 H GLY 58 HN GLY 58 1.921 12.503 -2.762 439 1HA GLY 58 2HA GLY 58 0.266 13.631 -4.585 440 2HA GLY 58 1HA GLY 58 1.680 14.677 -4.729 441 H ALA 59 HN ALA 59 0.972 11.171 -4.552 442 HA ALA 59 HA ALA 59 2.691 10.783 -6.946 443 1HB ALA 59 3HB ALA 59 3.283 9.903 -4.207 444 2HB ALA 59 2HB ALA 59 3.327 8.589 -5.382 445 3HB ALA 59 1HB ALA 59 4.349 10.009 -5.607 446 H GLU 60 HN GLU 60 2.570 8.166 -7.336 447 HA GLU 60 HA GLU 60 -0.287 7.352 -7.007 448 1HB GLU 60 2HB GLU 60 1.369 7.487 -9.525 449 2HB GLU 60 1HB GLU 60 0.036 6.338 -9.387 450 1HG GLU 60 2HG GLU 60 -0.498 9.165 -8.590 451 2HG GLU 60 1HG GLU 60 -0.345 8.819 -10.313 452 H ILE 61 HN ILE 61 -0.493 5.256 -6.334 453 HA ILE 61 HA ILE 61 1.931 3.506 -6.504 454 HB ILE 61 HB ILE 61 1.095 2.472 -4.359 455 1HG1 ILE 61 2HG1 ILE 61 -0.685 4.932 -4.306 456 2HG1 ILE 61 1HG1 ILE 61 -1.260 3.291 -4.611 457 1HG2 ILE 61 3HG2 ILE 61 1.818 5.414 -4.407 458 2HG2 ILE 61 2HG2 ILE 61 1.808 4.437 -2.938 459 3HG2 ILE 61 1HG2 ILE 61 2.919 4.046 -4.250 460 1HD1 ILE 61 1HD1 ILE 61 0.139 2.872 -2.329 461 2HD1 ILE 61 3HD1 ILE 61 -0.365 4.542 -2.071 462 3HD1 ILE 61 2HD1 ILE 61 -1.574 3.288 -2.343 463 H THR 62 HN THR 62 1.516 1.252 -6.860 464 HA THR 62 HA THR 62 -1.293 0.521 -7.525 465 HB THR 62 HB THR 62 1.006 -0.164 -9.364 466 HG1 THR 62 HG1 THR 62 0.922 1.847 -9.922 467 1HG2 THR 62 2HG2 THR 62 -1.849 -0.764 -9.219 468 2HG2 THR 62 1HG2 THR 62 -1.404 -0.025 -10.758 469 3HG2 THR 62 3HG2 THR 62 -0.598 -1.498 -10.222 470 H ILE 63 HN ILE 63 -1.616 -1.125 -6.093 471 HA ILE 63 HA ILE 63 0.574 -3.001 -5.461 472 HB ILE 63 HB ILE 63 -2.258 -2.732 -4.408 473 1HG1 ILE 63 2HG1 ILE 63 -0.769 -2.103 -2.345 474 2HG1 ILE 63 1HG1 ILE 63 0.436 -1.732 -3.567 475 1HG2 ILE 63 1HG2 ILE 63 0.010 -4.590 -3.672 476 2HG2 ILE 63 3HG2 ILE 63 -1.273 -4.186 -2.529 477 3HG2 ILE 63 2HG2 ILE 63 -1.666 -5.003 -4.043 478 1HD1 ILE 63 2HD1 ILE 63 -2.205 -0.668 -4.241 479 2HD1 ILE 63 1HD1 ILE 63 -1.588 -0.026 -2.719 480 3HD1 ILE 63 3HD1 ILE 63 -0.645 0.152 -4.199 481 H SER 64 HN SER 64 0.128 -5.336 -5.527 482 HA SER 64 HA SER 64 -2.000 -6.242 -7.367 483 1HB SER 64 2HB SER 64 -0.234 -7.523 -8.708 484 2HB SER 64 1HB SER 64 -0.326 -5.789 -8.998 485 HG SER 64 HG SER 64 1.469 -5.494 -7.756 486 H ALA 65 HN ALA 65 -2.874 -7.730 -5.972 487 HA ALA 65 HA ALA 65 -1.105 -9.450 -4.335 488 1HB ALA 65 2HB ALA 65 -3.214 -8.410 -3.411 489 2HB ALA 65 1HB ALA 65 -4.132 -9.452 -4.496 490 3HB ALA 65 3HB ALA 65 -3.132 -10.161 -3.229 491 H SER 66 HN SER 66 -0.711 -11.590 -4.802 492 HA SER 66 HA SER 66 -2.427 -13.034 -6.717 493 1HB SER 66 2HB SER 66 0.449 -13.201 -7.376 494 2HB SER 66 1HB SER 66 -0.949 -13.235 -8.441 495 HG SER 66 HG SER 66 0.166 -11.300 -8.715 496 H GLY 67 HN GLY 67 -2.843 -14.513 -4.980 497 1HA GLY 67 2HA GLY 67 -1.430 -16.829 -4.743 498 2HA GLY 67 1HA GLY 67 -0.567 -15.782 -3.621 499 H ALA 68 HN ALA 68 -2.684 -18.156 -3.569 500 HA ALA 68 HA ALA 68 -4.325 -18.897 -2.089 501 1HB ALA 68 1HB ALA 68 -2.750 -16.908 -0.484 502 2HB ALA 68 3HB ALA 68 -4.176 -17.671 0.221 503 3HB ALA 68 2HB ALA 68 -2.823 -18.662 -0.323 504 H ASP 69 HN ASP 69 -4.563 -15.624 -0.728 505 HA ASP 69 HA ASP 69 -7.242 -15.398 -2.038 506 1HB ASP 69 2HB ASP 69 -7.939 -14.174 0.069 507 2HB ASP 69 1HB ASP 69 -7.612 -15.891 0.289 508 H GLU 70 HN GLU 70 -5.569 -14.242 -3.563 509 HA GLU 70 HA GLU 70 -4.437 -11.727 -2.913 510 1HB GLU 70 2HB GLU 70 -4.586 -11.261 -5.363 511 2HB GLU 70 1HB GLU 70 -3.884 -12.836 -5.004 512 1HG GLU 70 2HG GLU 70 -6.108 -13.886 -5.389 513 2HG GLU 70 1HG GLU 70 -6.763 -12.305 -5.803 514 H ASN 71 HN ASN 71 -7.734 -12.568 -3.885 515 HA ASN 71 HA ASN 71 -8.639 -9.870 -4.307 516 1HB ASN 71 2HB ASN 71 -9.978 -12.514 -3.825 517 2HB ASN 71 1HB ASN 71 -10.936 -11.032 -3.774 518 1HD2 ASN 71 2HD2 ASN 71 -10.348 -10.297 -7.281 519 2HD2 ASN 71 1HD2 ASN 71 -10.488 -9.516 -5.780 520 H ASP 72 HN ASP 72 -8.409 -11.923 -1.451 521 HA ASP 72 HA ASP 72 -9.989 -10.159 0.238 522 1HB ASP 72 2HB ASP 72 -8.023 -12.328 1.022 523 2HB ASP 72 1HB ASP 72 -9.237 -11.594 2.070 524 H ALA 73 HN ALA 73 -6.617 -10.344 -0.684 525 HA ALA 73 HA ALA 73 -5.695 -8.686 1.542 526 1HB ALA 73 1HB ALA 73 -4.364 -9.597 -1.018 527 2HB ALA 73 3HB ALA 73 -3.557 -8.618 0.208 528 3HB ALA 73 2HB ALA 73 -4.118 -10.243 0.605 529 H LEU 74 HN LEU 74 -6.410 -8.141 -1.919 530 HA LEU 74 HA LEU 74 -5.496 -5.422 -1.926 531 1HB LEU 74 2HB LEU 74 -6.687 -5.194 -4.047 532 2HB LEU 74 1HB LEU 74 -5.837 -6.732 -3.996 533 HG LEU 74 HG LEU 74 -8.155 -7.599 -3.035 534 1HD1 LEU 74 3HD1 LEU 74 -8.797 -4.933 -3.562 535 2HD1 LEU 74 2HD1 LEU 74 -9.435 -5.794 -4.962 536 3HD1 LEU 74 1HD1 LEU 74 -9.952 -6.246 -3.338 537 1HD2 LEU 74 1HD2 LEU 74 -7.562 -6.991 -5.947 538 2HD2 LEU 74 3HD2 LEU 74 -7.101 -8.445 -5.061 539 3HD2 LEU 74 2HD2 LEU 74 -8.801 -8.121 -5.399 540 H ASN 75 HN ASN 75 -8.728 -6.824 -1.347 541 HA ASN 75 HA ASN 75 -9.947 -4.203 -1.014 542 1HB ASN 75 2HB ASN 75 -11.940 -5.403 -0.295 543 2HB ASN 75 1HB ASN 75 -11.261 -6.209 -1.705 544 1HD2 ASN 75 2HD2 ASN 75 -11.978 -8.529 1.336 545 2HD2 ASN 75 1HD2 ASN 75 -12.859 -7.167 0.832 546 H ALA 76 HN ALA 76 -8.188 -6.383 1.052 547 HA ALA 76 HA ALA 76 -9.185 -5.462 3.583 548 1HB ALA 76 3HB ALA 76 -6.452 -6.568 2.856 549 2HB ALA 76 2HB ALA 76 -7.082 -6.401 4.496 550 3HB ALA 76 1HB ALA 76 -7.846 -7.520 3.368 551 H LEU 77 HN LEU 77 -6.129 -4.618 1.884 552 HA LEU 77 HA LEU 77 -5.605 -2.363 3.608 553 1HB LEU 77 2HB LEU 77 -4.531 -2.812 0.814 554 2HB LEU 77 1HB LEU 77 -3.799 -1.849 2.096 555 HG LEU 77 HG LEU 77 -4.267 -4.481 3.140 556 1HD1 LEU 77 1HD1 LEU 77 -4.092 -4.761 0.457 557 2HD1 LEU 77 3HD1 LEU 77 -2.377 -4.769 0.869 558 3HD1 LEU 77 2HD1 LEU 77 -3.463 -5.956 1.592 559 1HD2 LEU 77 1HD2 LEU 77 -1.791 -2.908 2.384 560 2HD2 LEU 77 3HD2 LEU 77 -2.525 -3.053 3.980 561 3HD2 LEU 77 2HD2 LEU 77 -1.732 -4.446 3.245 562 H GLU 78 HN GLU 78 -7.501 -2.774 0.693 563 HA GLU 78 HA GLU 78 -7.551 -0.057 -0.194 564 1HB GLU 78 2HB GLU 78 -8.377 -1.922 -1.569 565 2HB GLU 78 1HB GLU 78 -9.682 -2.205 -0.423 566 1HG GLU 78 2HG GLU 78 -9.666 0.577 -1.224 567 2HG GLU 78 1HG GLU 78 -9.704 -0.458 -2.650 568 H GLU 79 HN GLU 79 -10.056 -1.784 1.724 569 HA GLU 79 HA GLU 79 -11.552 0.547 2.367 570 1HB GLU 79 2HB GLU 79 -12.522 -0.820 4.204 571 2HB GLU 79 1HB GLU 79 -12.478 -1.698 2.676 572 1HG GLU 79 2HG GLU 79 -10.113 -2.488 3.580 573 2HG GLU 79 1HG GLU 79 -10.835 -2.108 5.144 574 H THR 80 HN THR 80 -8.649 -0.805 3.804 575 HA THR 80 HA THR 80 -8.738 0.670 6.276 576 HB THR 80 HB THR 80 -6.297 -0.281 4.741 577 HG1 THR 80 HG1 THR 80 -6.578 -2.181 5.777 578 1HG2 THR 80 1HG2 THR 80 -6.791 0.520 7.614 579 2HG2 THR 80 3HG2 THR 80 -5.387 -0.427 7.120 580 3HG2 THR 80 2HG2 THR 80 -5.618 1.202 6.486 581 H MET 81 HN MET 81 -7.552 1.385 3.039 582 HA MET 81 HA MET 81 -6.235 3.868 3.708 583 1HB MET 81 2HB MET 81 -7.115 2.484 1.206 584 2HB MET 81 1HB MET 81 -6.753 4.205 1.110 585 1HG MET 81 2HG MET 81 -4.782 2.549 2.590 586 2HG MET 81 1HG MET 81 -4.866 2.272 0.850 587 1HE MET 81 2HE MET 81 -3.008 2.729 0.178 588 2HE MET 81 1HE MET 81 -2.504 4.314 -0.404 589 3HE MET 81 3HE MET 81 -1.876 3.689 1.127 590 H LYS 82 HN LYS 82 -9.541 2.957 2.976 591 HA LYS 82 HA LYS 82 -10.411 5.732 2.559 592 1HB LYS 82 2HB LYS 82 -11.861 3.080 2.707 593 2HB LYS 82 1HB LYS 82 -12.711 4.619 2.546 594 1HG LYS 82 2HG LYS 82 -11.982 4.956 0.392 595 2HG LYS 82 1HG LYS 82 -10.452 4.124 0.669 596 1HD LYS 82 2HD LYS 82 -11.593 2.611 -0.708 597 2HD LYS 82 1HD LYS 82 -11.948 1.990 0.905 598 1HE LYS 82 2HE LYS 82 -13.793 4.047 -0.237 599 2HE LYS 82 1HE LYS 82 -13.891 2.404 -0.873 600 1HZ LYS 82 2HZ LYS 82 -14.144 1.589 1.394 601 2HZ LYS 82 1HZ LYS 82 -14.087 3.179 1.987 602 3HZ LYS 82 3HZ LYS 82 -15.376 2.692 0.998 603 H SER 83 HN SER 83 -10.104 3.516 5.228 604 HA SER 83 HA SER 83 -12.096 4.715 6.943 605 1HB SER 83 2HB SER 83 -10.879 3.515 8.759 606 2HB SER 83 1HB SER 83 -11.257 2.467 7.395 607 HG SER 83 HG SER 83 -8.879 3.063 8.441 608 H GLU 84 HN GLU 84 -8.529 5.017 6.836 609 HA GLU 84 HA GLU 84 -8.642 7.335 8.649 610 1HB GLU 84 2HB GLU 84 -6.276 6.113 7.196 611 2HB GLU 84 1HB GLU 84 -6.199 7.276 8.519 612 1HG GLU 84 2HG GLU 84 -7.821 4.887 9.124 613 2HG GLU 84 1HG GLU 84 -6.119 4.538 8.828 614 H GLY 85 HN GLY 85 -8.278 6.665 5.222 615 1HA GLY 85 2HA GLY 85 -8.631 8.221 3.455 616 2HA GLY 85 1HA GLY 85 -8.609 9.531 4.636 617 H LEU 86 HN LEU 86 -6.215 6.972 3.981 618 HA LEU 86 HA LEU 86 -4.051 8.944 4.053 619 1HB LEU 86 2HB LEU 86 -4.133 5.954 3.606 620 2HB LEU 86 1HB LEU 86 -2.638 6.889 3.528 621 HG LEU 86 HG LEU 86 -4.515 6.858 5.911 622 1HD1 LEU 86 3HD1 LEU 86 -1.940 5.367 5.343 623 2HD1 LEU 86 2HD1 LEU 86 -2.615 5.551 6.962 624 3HD1 LEU 86 1HD1 LEU 86 -3.517 4.676 5.725 625 1HD2 LEU 86 1HD2 LEU 86 -2.023 8.314 5.178 626 2HD2 LEU 86 3HD2 LEU 86 -3.347 8.811 6.232 627 3HD2 LEU 86 2HD2 LEU 86 -2.112 7.702 6.829 628 H GLY 87 HN GLY 87 -5.506 6.784 1.615 629 1HA GLY 87 2HA GLY 87 -4.951 8.668 -0.518 630 2HA GLY 87 1HA GLY 87 -3.866 7.279 -0.578 631 H GLU 88 HN GLU 88 -6.216 8.187 -2.315 632 HA GLU 88 HA GLU 88 -7.473 5.503 -2.490 633 1HB GLU 88 2HB GLU 88 -9.712 6.590 -2.822 634 2HB GLU 88 1HB GLU 88 -9.077 6.780 -1.188 635 1HG GLU 88 2HG GLU 88 -8.223 9.028 -1.795 636 2HG GLU 88 1HG GLU 88 -8.910 8.840 -3.408 No H/Q in entry = 636 Start of MODEL 3 1 1H ALA 2 1HT ALA 2 -6.564 -8.376 -10.471 2 2H ALA 2 3HT ALA 2 -5.472 -9.622 -10.106 3 3H ALA 2 2HT ALA 2 -7.135 -9.953 -10.203 4 HA ALA 2 HA ALA 2 -7.618 -8.848 -8.228 5 1HB ALA 2 2HB ALA 2 -5.941 -10.991 -8.250 6 2HB ALA 2 1HB ALA 2 -4.965 -9.834 -7.349 7 3HB ALA 2 3HB ALA 2 -6.574 -10.267 -6.772 8 H GLN 3 HN GLN 3 -4.582 -7.850 -9.658 9 HA GLN 3 HA GLN 3 -3.681 -6.063 -7.630 10 1HB GLN 3 2HB GLN 3 -2.481 -4.901 -9.488 11 2HB GLN 3 1HB GLN 3 -2.242 -6.646 -9.502 12 1HG GLN 3 2HG GLN 3 -4.471 -6.442 -11.055 13 2HG GLN 3 1HG GLN 3 -3.670 -4.919 -11.438 14 1HE2 GLN 3 2HE2 GLN 3 -2.356 -8.114 -13.315 15 2HE2 GLN 3 1HE2 GLN 3 -3.925 -7.881 -12.713 16 H LYS 4 HN LYS 4 -3.922 -3.759 -7.479 17 HA LYS 4 HA LYS 4 -6.219 -2.586 -8.973 18 1HB LYS 4 2HB LYS 4 -6.808 -3.527 -6.596 19 2HB LYS 4 1HB LYS 4 -5.967 -2.086 -6.018 20 1HG LYS 4 2HG LYS 4 -7.475 -0.627 -7.152 21 2HG LYS 4 1HG LYS 4 -8.152 -1.950 -8.102 22 1HD LYS 4 2HD LYS 4 -9.102 -2.953 -6.074 23 2HD LYS 4 1HD LYS 4 -8.385 -1.675 -5.091 24 1HE LYS 4 2HE LYS 4 -10.183 -0.951 -7.386 25 2HE LYS 4 1HE LYS 4 -10.888 -1.460 -5.851 26 1HZ LYS 4 3HZ LYS 4 -8.875 0.704 -6.129 27 2HZ LYS 4 2HZ LYS 4 -10.551 0.965 -6.033 28 3HZ LYS 4 1HZ LYS 4 -9.719 0.274 -4.723 29 H THR 5 HN THR 5 -6.273 -0.166 -8.685 30 HA THR 5 HA THR 5 -3.490 0.884 -8.366 31 HB THR 5 HB THR 5 -5.729 2.194 -9.923 32 HG1 THR 5 HG1 THR 5 -5.436 0.700 -11.343 33 1HG2 THR 5 1HG2 THR 5 -2.722 2.495 -9.814 34 2HG2 THR 5 3HG2 THR 5 -3.711 3.206 -11.089 35 3HG2 THR 5 2HG2 THR 5 -3.939 3.704 -9.412 36 H PHE 6 HN PHE 6 -3.170 2.332 -6.745 37 HA PHE 6 HA PHE 6 -5.587 3.568 -5.483 38 1HB PHE 6 2HB PHE 6 -2.973 2.646 -4.262 39 2HB PHE 6 1HB PHE 6 -4.125 3.669 -3.405 40 HD1 PHE 6 1HD PHE 6 -3.627 0.346 -4.975 41 HD2 PHE 6 2HD PHE 6 -6.188 2.788 -2.541 42 HE1 PHE 6 1HE PHE 6 -4.947 -1.659 -4.354 43 HE2 PHE 6 2HE PHE 6 -7.510 0.783 -1.921 44 HZ PHE 6 HZ PHE 6 -6.891 -1.440 -2.827 45 H LYS 7 HN LYS 7 -5.390 5.774 -4.825 46 HA LYS 7 HA LYS 7 -3.216 7.246 -6.242 47 1HB LYS 7 2HB LYS 7 -5.846 7.665 -6.476 48 2HB LYS 7 1HB LYS 7 -5.559 8.656 -5.045 49 1HG LYS 7 2HG LYS 7 -5.248 10.122 -6.897 50 2HG LYS 7 1HG LYS 7 -3.624 9.712 -6.345 51 1HD LYS 7 2HD LYS 7 -3.500 9.424 -8.681 52 2HD LYS 7 1HD LYS 7 -3.744 7.787 -8.074 53 1HE LYS 7 2HE LYS 7 -5.241 8.243 -9.981 54 2HE LYS 7 1HE LYS 7 -6.168 7.984 -8.504 55 1HZ LYS 7 3HZ LYS 7 -5.347 10.708 -9.243 56 2HZ LYS 7 2HZ LYS 7 -6.687 10.005 -10.013 57 3HZ LYS 7 1HZ LYS 7 -6.679 10.201 -8.326 58 H VAL 8 HN VAL 8 -1.691 8.272 -5.061 59 HA VAL 8 HA VAL 8 -1.907 8.215 -2.112 60 HB VAL 8 HB VAL 8 0.412 9.171 -3.814 61 1HG1 VAL 8 1HG1 VAL 8 -0.029 8.568 -0.906 62 2HG1 VAL 8 3HG1 VAL 8 1.570 8.323 -1.605 63 3HG1 VAL 8 2HG1 VAL 8 0.826 9.921 -1.645 64 1HG2 VAL 8 3HG2 VAL 8 -0.311 6.776 -4.256 65 2HG2 VAL 8 2HG2 VAL 8 1.331 6.949 -3.638 66 3HG2 VAL 8 1HG2 VAL 8 0.033 6.437 -2.560 67 H THR 9 HN THR 9 -2.752 9.951 -1.085 68 HA THR 9 HA THR 9 -2.102 12.669 -2.108 69 HB THR 9 HB THR 9 -4.895 11.882 -1.239 70 HG1 THR 9 HG1 THR 9 -3.824 12.223 -3.843 71 1HG2 THR 9 2HG2 THR 9 -3.551 14.360 -2.246 72 2HG2 THR 9 1HG2 THR 9 -5.238 14.081 -2.680 73 3HG2 THR 9 3HG2 THR 9 -4.769 14.181 -0.983 74 H ALA 10 HN ALA 10 -1.319 10.914 0.252 75 HA ALA 10 HA ALA 10 -2.520 12.175 2.583 76 1HB ALA 10 2HB ALA 10 -1.605 9.855 2.627 77 2HB ALA 10 1HB ALA 10 0.011 10.517 2.379 78 3HB ALA 10 3HB ALA 10 -0.876 10.889 3.857 79 H ASP 11 HN ASP 11 -1.484 13.694 3.973 80 HA ASP 11 HA ASP 11 0.145 15.668 2.640 81 1HB ASP 11 2HB ASP 11 -1.493 15.834 4.735 82 2HB ASP 11 1HB ASP 11 0.006 15.559 5.625 83 H SER 12 HN SER 12 0.836 13.239 5.161 84 HA SER 12 HA SER 12 3.666 13.916 5.273 85 1HB SER 12 2HB SER 12 3.721 11.625 6.508 86 2HB SER 12 1HB SER 12 2.849 12.958 7.262 87 HG SER 12 HG SER 12 1.787 10.829 5.710 88 H GLY 13 HN GLY 13 1.678 11.605 3.514 89 1HA GLY 13 2HA GLY 13 2.404 10.727 1.361 90 2HA GLY 13 1HA GLY 13 4.076 10.880 1.901 91 H ILE 14 HN ILE 14 4.584 8.680 1.511 92 HA ILE 14 HA ILE 14 3.143 6.714 3.247 93 HB ILE 14 HB ILE 14 4.798 6.145 0.769 94 1HG1 ILE 14 2HG1 ILE 14 1.781 6.166 1.104 95 2HG1 ILE 14 1HG1 ILE 14 2.700 7.448 0.316 96 1HG2 ILE 14 1HG2 ILE 14 4.477 4.374 2.627 97 2HG2 ILE 14 3HG2 ILE 14 2.785 4.352 2.130 98 3HG2 ILE 14 2HG2 ILE 14 4.048 3.908 0.981 99 1HD1 ILE 14 2HD1 ILE 14 2.992 4.584 -0.573 100 2HD1 ILE 14 1HD1 ILE 14 1.669 5.582 -1.174 101 3HD1 ILE 14 3HD1 ILE 14 3.339 6.061 -1.473 102 1HN HIP 15 HN HIP 15 4.563 7.438 5.019 103 HA HIP 15 HA HIP 15 7.379 6.568 4.735 104 1HB HIP 15 1HB HIP 15 7.122 8.850 5.513 105 2HB HIP 15 2HB HIP 15 7.803 7.876 6.796 106 HD2 HIP 15 2HD HIP 15 4.138 9.122 5.893 107 HE2 HIP 15 2HE HIP 15 3.020 9.680 8.173 108 HE1 HIP 15 1HE HIP 15 4.597 9.142 10.077 109 H ALA 16 HN ALA 16 7.921 6.056 7.468 110 HA ALA 16 HA ALA 16 7.305 3.322 7.642 111 1HB ALA 16 1HB ALA 16 8.969 4.978 8.980 112 2HB ALA 16 3HB ALA 16 7.747 4.697 10.221 113 3HB ALA 16 2HB ALA 16 8.603 3.333 9.500 114 H ARG 17 HN ARG 17 5.571 6.008 9.310 115 HA ARG 17 HA ARG 17 3.944 4.378 10.947 116 1HB ARG 17 2HB ARG 17 4.095 7.103 10.403 117 2HB ARG 17 1HB ARG 17 2.458 6.670 9.916 118 1HG ARG 17 2HG ARG 17 2.087 5.600 12.108 119 2HG ARG 17 1HG ARG 17 3.724 6.040 12.598 120 1HD ARG 17 2HD ARG 17 3.126 8.449 12.194 121 2HD ARG 17 1HD ARG 17 1.462 7.936 11.912 122 HE ARG 17 HE ARG 17 1.368 7.206 14.265 123 1HH1 ARG 17 HH11 ARG 17 3.685 6.669 15.529 124 2HH1 ARG 17 HH12 ARG 17 4.332 8.159 16.131 125 1HH2 ARG 17 HH21 ARG 17 2.389 10.147 14.057 126 2HH2 ARG 17 HH22 ARG 17 3.599 10.129 15.297 127 HA PRO 18 HA PRO 18 0.592 4.123 7.556 128 1HB PRO 18 2HB PRO 18 1.267 4.896 4.999 129 2HB PRO 18 1HB PRO 18 0.475 5.957 6.177 130 1HG PRO 18 2HG PRO 18 3.341 5.906 5.313 131 2HG PRO 18 1HG PRO 18 2.352 7.281 5.838 132 1HD PRO 18 2HD PRO 18 4.233 6.003 7.441 133 2HD PRO 18 1HD PRO 18 2.882 6.966 8.056 134 H ALA 19 HN ALA 19 3.939 3.411 6.975 135 HA ALA 19 HA ALA 19 3.444 1.228 5.092 136 1HB ALA 19 2HB ALA 19 5.807 2.451 6.425 137 2HB ALA 19 1HB ALA 19 5.947 0.756 5.961 138 3HB ALA 19 3HB ALA 19 5.588 1.977 4.741 139 H THR 20 HN THR 20 3.518 1.647 8.547 140 HA THR 20 HA THR 20 3.943 -1.192 9.126 141 HB THR 20 HB THR 20 2.864 0.820 11.087 142 HG1 THR 20 HG1 THR 20 5.021 1.445 11.445 143 1HG2 THR 20 3HG2 THR 20 3.338 -1.748 11.446 144 2HG2 THR 20 2HG2 THR 20 5.012 -1.209 11.583 145 3HG2 THR 20 1HG2 THR 20 3.789 -0.583 12.690 146 H VAL 21 HN VAL 21 1.271 1.056 8.772 147 HA VAL 21 HA VAL 21 -0.772 -0.652 9.899 148 HB VAL 21 HB VAL 21 -1.129 1.473 7.794 149 1HG1 VAL 21 1HG1 VAL 21 -2.985 -0.212 8.684 150 2HG1 VAL 21 3HG1 VAL 21 -3.041 0.931 10.026 151 3HG1 VAL 21 2HG1 VAL 21 -3.366 1.482 8.382 152 1HG2 VAL 21 3HG2 VAL 21 -0.469 1.665 10.697 153 2HG2 VAL 21 2HG2 VAL 21 -0.072 2.772 9.382 154 3HG2 VAL 21 1HG2 VAL 21 -1.692 2.777 10.081 155 H LEU 22 HN LEU 22 0.511 -0.087 6.682 156 HA LEU 22 HA LEU 22 -1.363 -1.791 5.305 157 1HB LEU 22 2HB LEU 22 1.356 -0.699 4.552 158 2HB LEU 22 1HB LEU 22 0.290 -1.554 3.435 159 HG LEU 22 HG LEU 22 -0.492 0.944 4.969 160 1HD1 LEU 22 2HD1 LEU 22 0.834 0.496 2.330 161 2HD1 LEU 22 1HD1 LEU 22 -0.438 1.718 2.388 162 3HD1 LEU 22 3HD1 LEU 22 0.971 1.862 3.440 163 1HD2 LEU 22 1HD2 LEU 22 -1.807 -0.736 2.816 164 2HD2 LEU 22 3HD2 LEU 22 -2.445 -0.317 4.407 165 3HD2 LEU 22 2HD2 LEU 22 -2.311 0.920 3.157 166 H VAL 23 HN VAL 23 2.068 -2.237 6.259 167 HA VAL 23 HA VAL 23 2.354 -4.881 5.280 168 HB VAL 23 HB VAL 23 4.245 -3.489 6.062 169 1HG1 VAL 23 2HG1 VAL 23 2.992 -2.596 8.072 170 2HG1 VAL 23 1HG1 VAL 23 3.303 -4.140 8.865 171 3HG1 VAL 23 3HG1 VAL 23 4.649 -3.101 8.397 172 1HG2 VAL 23 1HG2 VAL 23 4.043 -6.181 6.209 173 2HG2 VAL 23 3HG2 VAL 23 5.512 -5.312 6.651 174 3HG2 VAL 23 2HG2 VAL 23 4.381 -5.824 7.903 175 H GLN 24 HN GLN 24 0.815 -3.701 8.209 176 HA GLN 24 HA GLN 24 0.701 -6.243 9.575 177 1HB GLN 24 2HB GLN 24 -0.812 -3.646 9.839 178 2HB GLN 24 1HB GLN 24 -1.259 -5.059 10.792 179 1HG GLN 24 2HG GLN 24 1.600 -4.727 10.912 180 2HG GLN 24 1HG GLN 24 0.830 -3.194 11.316 181 1HE2 GLN 24 2HE2 GLN 24 0.544 -4.509 14.598 182 2HE2 GLN 24 1HE2 GLN 24 1.302 -3.359 13.606 183 H THR 25 HN THR 25 -1.575 -4.509 7.446 184 HA THR 25 HA THR 25 -3.684 -6.451 7.641 185 HB THR 25 HB THR 25 -3.248 -4.818 5.159 186 HG1 THR 25 HG1 THR 25 -2.912 -3.214 6.504 187 1HG2 THR 25 2HG2 THR 25 -5.520 -5.935 6.742 188 2HG2 THR 25 1HG2 THR 25 -5.793 -4.441 5.847 189 3HG2 THR 25 3HG2 THR 25 -5.281 -5.898 4.995 190 H ALA 26 HN ALA 26 -1.410 -5.872 4.930 191 HA ALA 26 HA ALA 26 -2.056 -8.224 3.484 192 1HB ALA 26 1HB ALA 26 0.443 -6.528 3.577 193 2HB ALA 26 3HB ALA 26 0.273 -7.900 2.481 194 3HB ALA 26 2HB ALA 26 -0.826 -6.527 2.352 195 H SER 27 HN SER 27 -0.068 -7.794 6.322 196 HA SER 27 HA SER 27 1.585 -10.112 6.097 197 1HB SER 27 2HB SER 27 2.129 -8.543 7.811 198 2HB SER 27 1HB SER 27 0.501 -8.593 8.479 199 HG SER 27 HG SER 27 2.633 -10.329 8.797 200 H LYS 28 HN LYS 28 -1.711 -9.665 7.304 201 HA LYS 28 HA LYS 28 -1.994 -12.390 8.257 202 1HB LYS 28 2HB LYS 28 -3.917 -10.129 7.721 203 2HB LYS 28 1HB LYS 28 -4.497 -11.734 8.167 204 1HG LYS 28 2HG LYS 28 -3.657 -11.598 10.307 205 2HG LYS 28 1HG LYS 28 -2.314 -10.561 9.827 206 1HD LYS 28 2HD LYS 28 -3.805 -8.649 9.606 207 2HD LYS 28 1HD LYS 28 -5.208 -9.667 9.937 208 1HE LYS 28 2HE LYS 28 -3.972 -10.253 12.153 209 2HE LYS 28 1HE LYS 28 -3.023 -8.804 11.822 210 1HZ LYS 28 3HZ LYS 28 -5.980 -8.779 11.778 211 2HZ LYS 28 2HZ LYS 28 -5.103 -8.525 13.211 212 3HZ LYS 28 1HZ LYS 28 -4.917 -7.463 11.899 213 H TYR 29 HN TYR 29 -2.260 -10.868 5.137 214 HA TYR 29 HA TYR 29 -3.890 -13.067 4.032 215 1HB TYR 29 2HB TYR 29 -2.660 -10.595 2.773 216 2HB TYR 29 1HB TYR 29 -3.567 -11.806 1.866 217 HD1 TYR 29 2HD TYR 29 -5.962 -12.294 2.489 218 HD2 TYR 29 1HD TYR 29 -3.783 -8.974 4.121 219 HE1 TYR 29 2HE TYR 29 -8.093 -11.244 3.197 220 HE2 TYR 29 1HE TYR 29 -5.912 -7.924 4.831 221 HH TYR 29 HH TYR 29 -8.902 -9.625 4.789 222 H ASP 30 HN ASP 30 -3.022 -14.846 3.126 223 HA ASP 30 HA ASP 30 -0.167 -15.286 3.120 224 1HB ASP 30 2HB ASP 30 -2.428 -16.866 1.856 225 2HB ASP 30 1HB ASP 30 -0.762 -17.430 1.988 226 H ALA 31 HN ALA 31 -2.446 -14.097 0.752 227 HA ALA 31 HA ALA 31 -1.040 -14.658 -1.646 228 1HB ALA 31 2HB ALA 31 -2.806 -12.318 -0.883 229 2HB ALA 31 1HB ALA 31 -2.216 -12.597 -2.522 230 3HB ALA 31 3HB ALA 31 -3.282 -13.775 -1.755 231 H ASP 32 HN ASP 32 0.561 -13.510 -2.773 232 HA ASP 32 HA ASP 32 2.299 -11.817 -1.091 233 1HB ASP 32 2HB ASP 32 2.612 -13.103 -3.810 234 2HB ASP 32 1HB ASP 32 3.793 -11.956 -3.175 235 H VAL 33 HN VAL 33 1.254 -9.810 -0.996 236 HA VAL 33 HA VAL 33 0.415 -8.501 -3.508 237 HB VAL 33 HB VAL 33 -0.390 -6.697 -2.002 238 1HG1 VAL 33 1HG1 VAL 33 -1.378 -9.329 -2.199 239 2HG1 VAL 33 3HG1 VAL 33 -1.496 -8.925 -0.486 240 3HG1 VAL 33 2HG1 VAL 33 -2.276 -7.901 -1.692 241 1HG2 VAL 33 1HG2 VAL 33 1.485 -7.108 -0.313 242 2HG2 VAL 33 3HG2 VAL 33 -0.114 -6.825 0.370 243 3HG2 VAL 33 2HG2 VAL 33 0.526 -8.464 0.276 244 H ASN 34 HN ASN 34 1.480 -6.704 -4.395 245 HA ASN 34 HA ASN 34 4.020 -5.871 -3.059 246 1HB ASN 34 2HB ASN 34 3.684 -6.390 -6.026 247 2HB ASN 34 1HB ASN 34 5.169 -5.910 -5.205 248 1HD2 ASN 34 2HD2 ASN 34 5.825 -9.166 -3.908 249 2HD2 ASN 34 1HD2 ASN 34 6.191 -7.516 -3.757 250 H LEU 35 HN LEU 35 4.251 -3.698 -2.947 251 HA LEU 35 HA LEU 35 2.242 -1.979 -4.271 252 1HB LEU 35 2HB LEU 35 3.229 -1.845 -1.788 253 2HB LEU 35 1HB LEU 35 4.450 -0.860 -2.594 254 HG LEU 35 HG LEU 35 1.499 -0.374 -3.008 255 1HD1 LEU 35 1HD1 LEU 35 2.544 -0.230 -0.535 256 2HD1 LEU 35 3HD1 LEU 35 3.064 1.342 -1.141 257 3HD1 LEU 35 2HD1 LEU 35 1.350 0.929 -1.118 258 1HD2 LEU 35 2HD2 LEU 35 4.071 0.930 -3.727 259 2HD2 LEU 35 1HD2 LEU 35 2.536 0.919 -4.592 260 3HD2 LEU 35 3HD2 LEU 35 2.772 2.013 -3.229 261 H GLU 36 HN GLU 36 2.763 -0.543 -5.928 262 HA GLU 36 HA GLU 36 5.576 -0.679 -6.943 263 1HB GLU 36 2HB GLU 36 3.813 -1.667 -8.429 264 2HB GLU 36 1HB GLU 36 3.054 -0.077 -8.517 265 1HG GLU 36 2HG GLU 36 5.587 0.608 -9.159 266 2HG GLU 36 1HG GLU 36 5.569 -1.046 -9.770 267 H TYR 37 HN TYR 37 6.643 1.177 -6.474 268 HA TYR 37 HA TYR 37 5.116 3.709 -6.250 269 1HB TYR 37 2HB TYR 37 6.679 3.165 -4.424 270 2HB TYR 37 1HB TYR 37 8.008 3.070 -5.575 271 HD1 TYR 37 1HD TYR 37 5.214 5.565 -5.495 272 HD2 TYR 37 2HD TYR 37 9.413 4.857 -4.916 273 HE1 TYR 37 1HE TYR 37 5.596 8.005 -5.273 274 HE2 TYR 37 2HE TYR 37 9.793 7.299 -4.698 275 HH TYR 37 HH TYR 37 8.286 9.487 -5.686 276 H ASN 38 HN ASN 38 4.863 3.424 -8.717 277 HA ASN 38 HA ASN 38 5.439 4.043 -10.910 278 1HB ASN 38 2HB ASN 38 6.487 6.171 -9.099 279 2HB ASN 38 1HB ASN 38 6.947 6.239 -10.800 280 1HD2 ASN 38 2HD2 ASN 38 3.370 6.423 -11.786 281 2HD2 ASN 38 1HD2 ASN 38 4.691 5.419 -12.149 282 H GLY 39 HN GLY 39 6.775 2.153 -11.355 283 1HA GLY 39 2HA GLY 39 8.764 1.530 -12.546 284 2HA GLY 39 1HA GLY 39 9.598 2.888 -11.798 285 H LYS 40 HN LYS 40 8.883 2.359 -9.079 286 HA LYS 40 HA LYS 40 10.724 0.106 -8.565 287 1HB LYS 40 2HB LYS 40 9.407 2.093 -6.687 288 2HB LYS 40 1HB LYS 40 10.592 0.879 -6.203 289 1HG LYS 40 2HG LYS 40 11.122 2.970 -8.330 290 2HG LYS 40 1HG LYS 40 11.561 3.176 -6.633 291 1HD LYS 40 2HD LYS 40 12.684 0.797 -6.981 292 2HD LYS 40 1HD LYS 40 12.698 1.301 -8.671 293 1HE LYS 40 2HE LYS 40 13.886 2.843 -6.346 294 2HE LYS 40 1HE LYS 40 14.791 1.970 -7.582 295 1HZ LYS 40 3HZ LYS 40 13.639 3.432 -9.238 296 2HZ LYS 40 2HZ LYS 40 13.089 4.370 -7.933 297 3HZ LYS 40 1HZ LYS 40 14.754 4.220 -8.233 298 H THR 41 HN THR 41 10.121 -1.580 -6.987 299 HA THR 41 HA THR 41 7.232 -1.949 -6.496 300 HB THR 41 HB THR 41 8.832 -4.064 -7.957 301 HG1 THR 41 HG1 THR 41 6.963 -2.146 -8.876 302 1HG2 THR 41 1HG2 THR 41 6.683 -4.438 -6.391 303 2HG2 THR 41 3HG2 THR 41 5.856 -3.971 -7.876 304 3HG2 THR 41 2HG2 THR 41 6.938 -5.364 -7.871 305 H VAL 42 HN VAL 42 7.765 -1.859 -4.275 306 HA VAL 42 HA VAL 42 9.582 -3.997 -3.257 307 HB VAL 42 HB VAL 42 9.052 -2.737 -0.995 308 1HG1 VAL 42 2HG1 VAL 42 11.169 -2.782 -2.712 309 2HG1 VAL 42 1HG1 VAL 42 10.826 -1.053 -2.636 310 3HG1 VAL 42 3HG1 VAL 42 11.157 -1.952 -1.154 311 1HG2 VAL 42 3HG2 VAL 42 7.354 -1.232 -2.165 312 2HG2 VAL 42 2HG2 VAL 42 8.573 -0.401 -1.197 313 3HG2 VAL 42 1HG2 VAL 42 8.725 -0.451 -2.953 314 H ASN 43 HN ASN 43 8.823 -5.513 -1.750 315 HA ASN 43 HA ASN 43 6.062 -6.297 -1.980 316 1HB ASN 43 2HB ASN 43 8.166 -7.713 -1.329 317 2HB ASN 43 1HB ASN 43 7.843 -7.132 0.305 318 1HD2 ASN 43 2HD2 ASN 43 5.891 -10.333 -0.613 319 2HD2 ASN 43 1HD2 ASN 43 7.496 -9.912 -0.971 320 H LEU 44 HN LEU 44 4.355 -6.009 -0.437 321 HA LEU 44 HA LEU 44 4.463 -3.570 1.068 322 1HB LEU 44 2HB LEU 44 2.366 -4.723 0.172 323 2HB LEU 44 1HB LEU 44 2.472 -5.766 1.596 324 HG LEU 44 HG LEU 44 2.775 -3.466 2.860 325 1HD1 LEU 44 2HD1 LEU 44 1.434 -2.709 0.272 326 2HD1 LEU 44 1HD1 LEU 44 1.291 -1.742 1.744 327 3HD1 LEU 44 3HD1 LEU 44 2.875 -1.999 1.008 328 1HD2 LEU 44 1HD2 LEU 44 0.378 -4.955 1.974 329 2HD2 LEU 44 3HD2 LEU 44 0.958 -4.596 3.599 330 3HD2 LEU 44 2HD2 LEU 44 0.095 -3.364 2.678 331 H LYS 45 HN LYS 45 5.680 -6.675 1.825 332 HA LYS 45 HA LYS 45 5.420 -6.280 4.736 333 1HB LYS 45 2HB LYS 45 6.856 -8.413 3.114 334 2HB LYS 45 1HB LYS 45 6.687 -8.419 4.870 335 1HG LYS 45 2HG LYS 45 4.853 -9.704 4.348 336 2HG LYS 45 1HG LYS 45 4.103 -8.112 4.222 337 1HD LYS 45 2HD LYS 45 3.992 -8.191 1.932 338 2HD LYS 45 1HD LYS 45 5.478 -9.131 1.789 339 1HE LYS 45 2HE LYS 45 3.174 -10.475 3.106 340 2HE LYS 45 1HE LYS 45 3.048 -10.209 1.366 341 1HZ LYS 45 3HZ LYS 45 5.506 -11.344 2.529 342 2HZ LYS 45 2HZ LYS 45 4.167 -12.342 2.218 343 3HZ LYS 45 1HZ LYS 45 4.906 -11.489 0.949 344 H SER 46 HN SER 46 6.703 -4.115 3.618 345 HA SER 46 HA SER 46 9.419 -4.403 4.754 346 1HB SER 46 2HB SER 46 9.742 -4.949 2.366 347 2HB SER 46 1HB SER 46 8.959 -3.440 1.902 348 HG SER 46 HG SER 46 11.485 -3.919 2.942 349 H ILE 47 HN ILE 47 8.844 -2.922 6.345 350 HA ILE 47 HA ILE 47 7.528 -0.406 5.703 351 HB ILE 47 HB ILE 47 8.997 -1.143 8.243 352 1HG1 ILE 47 2HG1 ILE 47 6.114 -1.651 7.414 353 2HG1 ILE 47 1HG1 ILE 47 7.345 -2.880 7.689 354 1HG2 ILE 47 2HG2 ILE 47 8.301 1.273 7.762 355 2HG2 ILE 47 1HG2 ILE 47 6.633 0.704 7.827 356 3HG2 ILE 47 3HG2 ILE 47 7.666 0.573 9.251 357 1HD1 ILE 47 1HD1 ILE 47 7.563 -1.892 10.055 358 2HD1 ILE 47 3HD1 ILE 47 6.044 -1.064 9.717 359 3HD1 ILE 47 2HD1 ILE 47 6.109 -2.826 9.711 360 H MET 48 HN MET 48 10.847 -1.424 6.448 361 HA MET 48 HA MET 48 11.935 1.263 6.369 362 1HB MET 48 2HB MET 48 12.939 -0.904 7.432 363 2HB MET 48 1HB MET 48 13.556 -1.211 5.808 364 1HG MET 48 2HG MET 48 13.960 1.499 7.027 365 2HG MET 48 1HG MET 48 15.003 0.170 7.534 366 1HE MET 48 1HE MET 48 16.196 2.468 6.641 367 2HE MET 48 3HE MET 48 17.387 1.184 6.396 368 3HE MET 48 2HE MET 48 17.091 2.369 5.126 369 H GLY 49 HN GLY 49 11.307 -1.237 3.986 370 1HA GLY 49 2HA GLY 49 12.963 -0.113 1.893 371 2HA GLY 49 1HA GLY 49 11.672 -1.293 1.662 372 H VAL 50 HN VAL 50 9.689 0.462 3.026 373 HA VAL 50 HA VAL 50 8.824 1.945 0.682 374 HB VAL 50 HB VAL 50 7.746 2.041 3.518 375 1HG1 VAL 50 1HG1 VAL 50 6.745 2.986 0.839 376 2HG1 VAL 50 3HG1 VAL 50 5.607 2.557 2.116 377 3HG1 VAL 50 2HG1 VAL 50 6.777 3.851 2.375 378 1HG2 VAL 50 3HG2 VAL 50 7.898 -0.192 1.926 379 2HG2 VAL 50 2HG2 VAL 50 6.647 0.080 3.138 380 3HG2 VAL 50 1HG2 VAL 50 6.335 0.471 1.448 381 H VAL 51 HN VAL 51 10.106 2.845 3.882 382 HA VAL 51 HA VAL 51 9.961 5.692 3.427 383 HB VAL 51 HB VAL 51 11.823 4.197 5.295 384 1HG1 VAL 51 2HG1 VAL 51 12.098 6.725 4.784 385 2HG1 VAL 51 1HG1 VAL 51 10.598 6.923 5.689 386 3HG1 VAL 51 3HG1 VAL 51 12.017 6.230 6.474 387 1HG2 VAL 51 3HG2 VAL 51 8.904 4.903 5.470 388 2HG2 VAL 51 2HG2 VAL 51 9.712 3.407 5.937 389 3HG2 VAL 51 1HG2 VAL 51 9.882 4.850 6.936 390 H SER 52 HN SER 52 12.329 3.212 2.682 391 HA SER 52 HA SER 52 14.554 4.952 2.157 392 1HB SER 52 2HB SER 52 15.495 3.030 0.944 393 2HB SER 52 1HB SER 52 14.790 2.506 2.471 394 HG SER 52 HG SER 52 14.215 1.649 0.054 395 H LEU 53 HN LEU 53 11.773 3.941 0.264 396 HA LEU 53 HA LEU 53 12.720 4.741 -2.317 397 1HB LEU 53 2HB LEU 53 9.954 4.499 -1.118 398 2HB LEU 53 1HB LEU 53 10.207 5.001 -2.791 399 HG LEU 53 HG LEU 53 11.380 2.461 -1.636 400 1HD1 LEU 53 1HD1 LEU 53 8.682 3.064 -2.746 401 2HD1 LEU 53 3HD1 LEU 53 9.451 1.572 -3.285 402 3HD1 LEU 53 2HD1 LEU 53 9.165 1.846 -1.567 403 1HD2 LEU 53 2HD2 LEU 53 11.222 3.765 -4.334 404 2HD2 LEU 53 1HD2 LEU 53 12.581 2.938 -3.574 405 3HD2 LEU 53 3HD2 LEU 53 11.242 2.004 -4.241 406 H GLY 54 HN GLY 54 10.708 6.488 0.071 407 1HA GLY 54 2HA GLY 54 10.928 8.828 0.584 408 2HA GLY 54 1HA GLY 54 11.865 9.040 -0.896 409 H ILE 55 HN ILE 55 8.634 7.632 -0.277 410 HA ILE 55 HA ILE 55 7.555 8.912 -2.665 411 HB ILE 55 HB ILE 55 6.047 7.523 -0.428 412 1HG1 ILE 55 2HG1 ILE 55 7.152 6.345 -2.999 413 2HG1 ILE 55 1HG1 ILE 55 7.892 6.128 -1.413 414 1HG2 ILE 55 1HG2 ILE 55 5.400 8.498 -3.180 415 2HG2 ILE 55 3HG2 ILE 55 4.650 6.995 -2.642 416 3HG2 ILE 55 2HG2 ILE 55 4.395 8.485 -1.730 417 1HD1 ILE 55 3HD1 ILE 55 5.069 5.305 -2.159 418 2HD1 ILE 55 2HD1 ILE 55 6.441 4.211 -1.987 419 3HD1 ILE 55 1HD1 ILE 55 5.823 5.078 -0.581 420 H ALA 56 HN ALA 56 5.697 10.410 -2.594 421 HA ALA 56 HA ALA 56 5.361 11.935 -0.078 422 1HB ALA 56 1HB ALA 56 7.251 12.804 -1.811 423 2HB ALA 56 3HB ALA 56 5.833 13.609 -2.484 424 3HB ALA 56 2HB ALA 56 6.294 13.893 -0.806 425 H LYS 57 HN LYS 57 3.746 13.872 -0.671 426 HA LYS 57 HA LYS 57 1.286 12.670 -1.472 427 1HB LYS 57 2HB LYS 57 0.398 14.997 -1.458 428 2HB LYS 57 1HB LYS 57 1.342 14.636 -0.015 429 1HG LYS 57 2HG LYS 57 3.283 15.784 -0.938 430 2HG LYS 57 1HG LYS 57 2.438 16.045 -2.466 431 1HD LYS 57 2HD LYS 57 1.038 17.668 -1.574 432 2HD LYS 57 1HD LYS 57 1.172 17.031 0.065 433 1HE LYS 57 2HE LYS 57 3.624 17.752 -0.005 434 2HE LYS 57 1HE LYS 57 3.215 18.648 -1.468 435 1HZ LYS 57 3HZ LYS 57 1.466 19.782 -0.186 436 2HZ LYS 57 2HZ LYS 57 1.999 18.988 1.218 437 3HZ LYS 57 1HZ LYS 57 3.021 20.086 0.420 438 H GLY 58 HN GLY 58 0.088 12.864 -3.408 439 1HA GLY 58 2HA GLY 58 -0.285 13.283 -5.702 440 2HA GLY 58 1HA GLY 58 1.114 14.357 -5.692 441 H ALA 59 HN ALA 59 0.440 10.856 -5.312 442 HA ALA 59 HA ALA 59 2.447 10.272 -7.402 443 1HB ALA 59 3HB ALA 59 3.677 10.362 -5.197 444 2HB ALA 59 2HB ALA 59 2.670 9.021 -4.650 445 3HB ALA 59 1HB ALA 59 3.768 8.801 -6.013 446 H GLU 60 HN GLU 60 1.592 8.701 -8.668 447 HA GLU 60 HA GLU 60 -0.760 7.200 -7.730 448 1HB GLU 60 2HB GLU 60 0.663 7.530 -10.361 449 2HB GLU 60 1HB GLU 60 -0.474 6.200 -10.140 450 1HG GLU 60 2HG GLU 60 -1.991 7.771 -10.828 451 2HG GLU 60 1HG GLU 60 -1.950 8.222 -9.124 452 H ILE 61 HN ILE 61 -0.610 5.216 -6.825 453 HA ILE 61 HA ILE 61 1.918 3.669 -7.232 454 HB ILE 61 HB ILE 61 1.321 2.551 -5.068 455 1HG1 ILE 61 2HG1 ILE 61 -0.785 4.730 -4.901 456 2HG1 ILE 61 1HG1 ILE 61 -1.139 3.038 -5.256 457 1HG2 ILE 61 2HG2 ILE 61 1.891 5.464 -5.361 458 2HG2 ILE 61 1HG2 ILE 61 1.512 4.878 -3.741 459 3HG2 ILE 61 3HG2 ILE 61 2.874 4.196 -4.631 460 1HD1 ILE 61 2HD1 ILE 61 0.246 2.590 -3.061 461 2HD1 ILE 61 1HD1 ILE 61 -0.156 4.269 -2.702 462 3HD1 ILE 61 3HD1 ILE 61 -1.442 3.088 -2.947 463 H THR 62 HN THR 62 1.627 1.280 -7.291 464 HA THR 62 HA THR 62 -1.090 0.432 -8.181 465 HB THR 62 HB THR 62 1.414 -0.473 -9.604 466 HG1 THR 62 HG1 THR 62 -0.319 1.673 -10.263 467 1HG2 THR 62 2HG2 THR 62 -1.527 -0.779 -9.910 468 2HG2 THR 62 1HG2 THR 62 -0.593 -0.590 -11.394 469 3HG2 THR 62 3HG2 THR 62 -0.232 -1.915 -10.287 470 H ILE 63 HN ILE 63 -1.635 -1.088 -6.706 471 HA ILE 63 HA ILE 63 0.449 -2.815 -5.511 472 HB ILE 63 HB ILE 63 -2.520 -2.508 -4.942 473 1HG1 ILE 63 2HG1 ILE 63 -0.082 -1.672 -3.340 474 2HG1 ILE 63 1HG1 ILE 63 -1.036 -0.581 -4.343 475 1HG2 ILE 63 1HG2 ILE 63 -0.397 -4.283 -3.736 476 2HG2 ILE 63 3HG2 ILE 63 -1.795 -3.769 -2.793 477 3HG2 ILE 63 2HG2 ILE 63 -2.024 -4.715 -4.265 478 1HD1 ILE 63 1HD1 ILE 63 -3.049 -1.562 -2.925 479 2HD1 ILE 63 3HD1 ILE 63 -1.770 -1.912 -1.762 480 3HD1 ILE 63 2HD1 ILE 63 -2.057 -0.252 -2.285 481 H SER 64 HN SER 64 0.082 -5.190 -5.459 482 HA SER 64 HA SER 64 -1.714 -6.276 -7.537 483 1HB SER 64 2HB SER 64 0.263 -7.606 -8.471 484 2HB SER 64 1HB SER 64 0.195 -5.901 -8.903 485 HG SER 64 HG SER 64 2.155 -5.930 -8.108 486 H ALA 65 HN ALA 65 -2.793 -7.581 -6.091 487 HA ALA 65 HA ALA 65 -1.267 -9.256 -4.183 488 1HB ALA 65 3HB ALA 65 -4.256 -9.035 -4.692 489 2HB ALA 65 2HB ALA 65 -3.504 -9.941 -3.378 490 3HB ALA 65 1HB ALA 65 -3.366 -8.183 -3.429 491 H SER 66 HN SER 66 -0.696 -11.337 -4.708 492 HA SER 66 HA SER 66 -2.317 -12.804 -6.722 493 1HB SER 66 2HB SER 66 0.232 -11.646 -7.268 494 2HB SER 66 1HB SER 66 0.442 -13.393 -7.225 495 HG SER 66 HG SER 66 -0.916 -11.806 -9.007 496 H GLY 67 HN GLY 67 -2.927 -14.579 -5.588 497 1HA GLY 67 2HA GLY 67 -1.137 -16.600 -4.763 498 2HA GLY 67 1HA GLY 67 -1.515 -15.641 -3.330 499 H ALA 68 HN ALA 68 -2.929 -16.917 -2.200 500 HA ALA 68 HA ALA 68 -5.055 -18.396 -3.615 501 1HB ALA 68 3HB ALA 68 -3.636 -19.037 -1.417 502 2HB ALA 68 2HB ALA 68 -5.006 -18.242 -0.640 503 3HB ALA 68 1HB ALA 68 -5.274 -19.634 -1.690 504 H ASP 69 HN ASP 69 -4.944 -16.029 -0.926 505 HA ASP 69 HA ASP 69 -7.718 -15.211 -1.656 506 1HB ASP 69 2HB ASP 69 -7.683 -14.104 0.619 507 2HB ASP 69 1HB ASP 69 -7.541 -15.860 0.663 508 H GLU 70 HN GLU 70 -5.735 -14.312 -3.357 509 HA GLU 70 HA GLU 70 -4.519 -11.831 -2.688 510 1HB GLU 70 2HB GLU 70 -4.406 -11.461 -5.144 511 2HB GLU 70 1HB GLU 70 -3.883 -13.081 -4.692 512 1HG GLU 70 2HG GLU 70 -6.130 -13.958 -5.255 513 2HG GLU 70 1HG GLU 70 -6.636 -12.337 -5.728 514 H ASN 71 HN ASN 71 -7.757 -12.564 -3.932 515 HA ASN 71 HA ASN 71 -8.514 -9.838 -4.447 516 1HB ASN 71 2HB ASN 71 -10.246 -12.239 -3.786 517 2HB ASN 71 1HB ASN 71 -10.824 -10.718 -4.469 518 1HD2 ASN 71 2HD2 ASN 71 -9.468 -13.497 -6.973 519 2HD2 ASN 71 1HD2 ASN 71 -9.947 -13.803 -5.374 520 H ASP 72 HN ASP 72 -8.770 -11.917 -1.584 521 HA ASP 72 HA ASP 72 -10.350 -10.056 -0.042 522 1HB ASP 72 2HB ASP 72 -8.550 -12.334 0.813 523 2HB ASP 72 1HB ASP 72 -9.623 -11.454 1.900 524 H ALA 73 HN ALA 73 -6.932 -10.353 -0.712 525 HA ALA 73 HA ALA 73 -6.092 -8.707 1.543 526 1HB ALA 73 2HB ALA 73 -4.673 -9.721 -0.924 527 2HB ALA 73 1HB ALA 73 -3.886 -8.697 0.277 528 3HB ALA 73 3HB ALA 73 -4.496 -10.287 0.737 529 H LEU 74 HN LEU 74 -6.543 -8.126 -1.968 530 HA LEU 74 HA LEU 74 -5.527 -5.464 -1.929 531 1HB LEU 74 2HB LEU 74 -6.594 -5.150 -4.076 532 2HB LEU 74 1HB LEU 74 -5.952 -6.786 -4.011 533 HG LEU 74 HG LEU 74 -8.370 -7.360 -3.129 534 1HD1 LEU 74 3HD1 LEU 74 -8.659 -4.616 -3.635 535 2HD1 LEU 74 2HD1 LEU 74 -9.441 -5.402 -5.007 536 3HD1 LEU 74 1HD1 LEU 74 -9.963 -5.771 -3.364 537 1HD2 LEU 74 3HD2 LEU 74 -7.146 -7.997 -5.320 538 2HD2 LEU 74 2HD2 LEU 74 -8.908 -8.088 -5.309 539 3HD2 LEU 74 1HD2 LEU 74 -8.101 -6.712 -6.057 540 H ASN 75 HN ASN 75 -8.843 -6.676 -1.374 541 HA ASN 75 HA ASN 75 -9.891 -3.976 -1.059 542 1HB ASN 75 2HB ASN 75 -11.967 -5.051 -0.338 543 2HB ASN 75 1HB ASN 75 -11.349 -5.842 -1.784 544 1HD2 ASN 75 2HD2 ASN 75 -11.235 -7.877 1.790 545 2HD2 ASN 75 1HD2 ASN 75 -11.330 -6.183 1.806 546 H ALA 76 HN ALA 76 -8.339 -6.283 1.039 547 HA ALA 76 HA ALA 76 -9.326 -5.325 3.551 548 1HB ALA 76 2HB ALA 76 -7.780 -7.394 2.914 549 2HB ALA 76 1HB ALA 76 -6.493 -6.252 3.297 550 3HB ALA 76 3HB ALA 76 -7.699 -6.662 4.516 551 H LEU 77 HN LEU 77 -6.182 -4.613 1.972 552 HA LEU 77 HA LEU 77 -5.547 -2.431 3.710 553 1HB LEU 77 2HB LEU 77 -4.584 -2.845 0.870 554 2HB LEU 77 1HB LEU 77 -3.780 -1.918 2.136 555 HG LEU 77 HG LEU 77 -4.310 -4.566 3.143 556 1HD1 LEU 77 2HD1 LEU 77 -4.238 -4.898 0.528 557 2HD1 LEU 77 1HD1 LEU 77 -2.499 -4.706 0.756 558 3HD1 LEU 77 3HD1 LEU 77 -3.360 -6.003 1.586 559 1HD2 LEU 77 3HD2 LEU 77 -1.844 -2.952 2.463 560 2HD2 LEU 77 2HD2 LEU 77 -2.537 -3.266 4.054 561 3HD2 LEU 77 1HD2 LEU 77 -1.740 -4.565 3.168 562 H GLU 78 HN GLU 78 -7.446 -2.632 0.758 563 HA GLU 78 HA GLU 78 -7.453 0.117 0.020 564 1HB GLU 78 2HB GLU 78 -8.396 -1.703 -1.380 565 2HB GLU 78 1HB GLU 78 -9.715 -1.894 -0.227 566 1HG GLU 78 2HG GLU 78 -9.338 0.884 -1.130 567 2HG GLU 78 1HG GLU 78 -9.765 -0.228 -2.430 568 H GLU 79 HN GLU 79 -9.799 -1.641 2.098 569 HA GLU 79 HA GLU 79 -11.291 0.684 2.831 570 1HB GLU 79 2HB GLU 79 -12.106 -0.727 4.727 571 2HB GLU 79 1HB GLU 79 -12.206 -1.547 3.170 572 1HG GLU 79 2HG GLU 79 -10.388 -2.948 3.640 573 2HG GLU 79 1HG GLU 79 -9.761 -1.874 4.890 574 H THR 80 HN THR 80 -8.274 -0.654 4.014 575 HA THR 80 HA THR 80 -8.204 0.793 6.512 576 HB THR 80 HB THR 80 -5.833 -0.110 4.851 577 HG1 THR 80 HG1 THR 80 -6.107 -2.083 5.718 578 1HG2 THR 80 2HG2 THR 80 -6.273 0.419 7.799 579 2HG2 THR 80 1HG2 THR 80 -4.842 -0.386 7.156 580 3HG2 THR 80 3HG2 THR 80 -5.191 1.284 6.709 581 H MET 81 HN MET 81 -7.347 1.539 3.192 582 HA MET 81 HA MET 81 -5.895 3.975 3.758 583 1HB MET 81 2HB MET 81 -7.135 2.720 1.324 584 2HB MET 81 1HB MET 81 -6.601 4.397 1.252 585 1HG MET 81 2HG MET 81 -4.675 2.501 2.473 586 2HG MET 81 1HG MET 81 -4.970 2.272 0.752 587 1HE MET 81 1HE MET 81 -2.473 2.752 2.133 588 2HE MET 81 3HE MET 81 -1.600 4.215 1.654 589 3HE MET 81 2HE MET 81 -2.552 4.198 3.136 590 H LYS 82 HN LYS 82 -9.270 3.132 3.276 591 HA LYS 82 HA LYS 82 -10.126 5.943 3.131 592 1HB LYS 82 2HB LYS 82 -11.472 3.266 2.977 593 2HB LYS 82 1HB LYS 82 -12.444 4.688 3.365 594 1HG LYS 82 2HG LYS 82 -12.176 5.612 1.283 595 2HG LYS 82 1HG LYS 82 -10.547 4.963 1.090 596 1HD LYS 82 2HD LYS 82 -11.903 3.761 -0.464 597 2HD LYS 82 1HD LYS 82 -11.640 2.659 0.889 598 1HE LYS 82 2HE LYS 82 -13.880 3.907 1.751 599 2HE LYS 82 1HE LYS 82 -14.132 4.015 0.009 600 1HZ LYS 82 2HZ LYS 82 -13.364 1.485 1.337 601 2HZ LYS 82 1HZ LYS 82 -14.988 1.949 1.149 602 3HZ LYS 82 3HZ LYS 82 -14.015 1.703 -0.218 603 H SER 83 HN SER 83 -9.546 3.590 5.603 604 HA SER 83 HA SER 83 -11.446 4.600 7.541 605 1HB SER 83 2HB SER 83 -10.108 3.274 9.161 606 2HB SER 83 1HB SER 83 -10.535 2.335 7.734 607 HG SER 83 HG SER 83 -8.108 2.969 8.695 608 H GLU 84 HN GLU 84 -7.890 4.984 7.219 609 HA GLU 84 HA GLU 84 -8.055 7.301 9.080 610 1HB GLU 84 2HB GLU 84 -5.715 5.677 8.054 611 2HB GLU 84 1HB GLU 84 -5.538 7.111 9.066 612 1HG GLU 84 2HG GLU 84 -6.365 6.062 10.939 613 2HG GLU 84 1HG GLU 84 -7.436 5.015 10.008 614 H GLY 85 HN GLY 85 -8.521 7.029 5.900 615 1HA GLY 85 2HA GLY 85 -8.231 8.472 4.076 616 2HA GLY 85 1HA GLY 85 -7.901 9.726 5.271 617 H LEU 86 HN LEU 86 -6.493 7.545 2.985 618 HA LEU 86 HA LEU 86 -3.841 8.797 3.486 619 1HB LEU 86 2HB LEU 86 -4.454 5.844 3.383 620 2HB LEU 86 1HB LEU 86 -2.844 6.468 3.024 621 HG LEU 86 HG LEU 86 -4.328 7.193 5.556 622 1HD1 LEU 86 3HD1 LEU 86 -4.042 4.736 5.439 623 2HD1 LEU 86 2HD1 LEU 86 -2.319 4.960 5.135 624 3HD1 LEU 86 1HD1 LEU 86 -3.013 5.449 6.681 625 1HD2 LEU 86 3HD2 LEU 86 -2.130 8.325 4.426 626 2HD2 LEU 86 2HD2 LEU 86 -2.388 8.247 6.169 627 3HD2 LEU 86 1HD2 LEU 86 -1.365 7.050 5.375 628 H GLY 87 HN GLY 87 -5.643 6.569 1.340 629 1HA GLY 87 2HA GLY 87 -4.933 8.214 -0.986 630 2HA GLY 87 1HA GLY 87 -4.208 6.605 -0.980 631 H GLU 88 HN GLU 88 -6.459 7.965 -2.606 632 HA GLU 88 HA GLU 88 -8.263 5.611 -2.536 633 1HB GLU 88 2HB GLU 88 -10.251 7.136 -2.689 634 2HB GLU 88 1HB GLU 88 -9.425 7.218 -1.134 635 1HG GLU 88 2HG GLU 88 -8.106 9.187 -2.113 636 2HG GLU 88 1HG GLU 88 -9.294 9.194 -3.416 No H/Q in entry = 636 Start of MODEL 4 1 1H ALA 2 1HT ALA 2 -5.440 -9.366 -9.586 2 2H ALA 2 3HT ALA 2 -6.827 -10.340 -9.521 3 3H ALA 2 2HT ALA 2 -6.959 -8.705 -9.964 4 HA ALA 2 HA ALA 2 -7.684 -8.747 -7.762 5 1HB ALA 2 1HB ALA 2 -5.389 -10.675 -7.424 6 2HB ALA 2 3HB ALA 2 -6.089 -9.848 -6.032 7 3HB ALA 2 2HB ALA 2 -7.091 -10.908 -7.024 8 H GLN 3 HN GLN 3 -5.903 -7.092 -9.430 9 HA GLN 3 HA GLN 3 -4.191 -5.861 -7.310 10 1HB GLN 3 2HB GLN 3 -3.052 -4.721 -9.260 11 2HB GLN 3 1HB GLN 3 -2.860 -6.472 -9.223 12 1HG GLN 3 2HG GLN 3 -4.226 -6.802 -11.055 13 2HG GLN 3 1HG GLN 3 -5.201 -5.373 -10.714 14 1HE2 GLN 3 1HE2 GLN 3 -3.665 -3.232 -10.808 15 2HE2 GLN 3 2HE2 GLN 3 -2.704 -3.144 -12.204 16 H LYS 4 HN LYS 4 -4.272 -3.557 -7.071 17 HA LYS 4 HA LYS 4 -6.485 -2.150 -8.472 18 1HB LYS 4 2HB LYS 4 -7.285 -3.133 -6.246 19 2HB LYS 4 1HB LYS 4 -6.188 -1.992 -5.467 20 1HG LYS 4 2HG LYS 4 -7.361 -0.114 -6.307 21 2HG LYS 4 1HG LYS 4 -8.214 -1.080 -7.511 22 1HD LYS 4 2HD LYS 4 -8.594 -1.812 -4.642 23 2HD LYS 4 1HD LYS 4 -9.384 -0.344 -5.221 24 1HE LYS 4 2HE LYS 4 -9.601 -2.959 -6.717 25 2HE LYS 4 1HE LYS 4 -10.720 -2.535 -5.421 26 1HZ LYS 4 1HZ LYS 4 -10.914 -0.330 -6.749 27 2HZ LYS 4 3HZ LYS 4 -10.352 -1.268 -8.045 28 3HZ LYS 4 2HZ LYS 4 -11.789 -1.698 -7.248 29 H THR 5 HN THR 5 -6.088 0.049 -8.736 30 HA THR 5 HA THR 5 -3.355 0.946 -8.014 31 HB THR 5 HB THR 5 -5.392 2.362 -9.753 32 HG1 THR 5 HG1 THR 5 -3.300 0.613 -10.524 33 1HG2 THR 5 1HG2 THR 5 -2.405 2.591 -9.343 34 2HG2 THR 5 3HG2 THR 5 -3.237 3.308 -10.724 35 3HG2 THR 5 2HG2 THR 5 -3.630 3.835 -9.087 36 H PHE 6 HN PHE 6 -3.033 2.380 -6.380 37 HA PHE 6 HA PHE 6 -5.432 3.764 -5.254 38 1HB PHE 6 2HB PHE 6 -2.859 2.856 -3.932 39 2HB PHE 6 1HB PHE 6 -4.066 3.868 -3.137 40 HD1 PHE 6 1HD PHE 6 -3.463 0.549 -4.683 41 HD2 PHE 6 2HD PHE 6 -6.133 2.961 -2.337 42 HE1 PHE 6 1HE PHE 6 -4.794 -1.468 -4.124 43 HE2 PHE 6 2HE PHE 6 -7.464 0.944 -1.781 44 HZ PHE 6 HZ PHE 6 -6.794 -1.270 -2.672 45 H LYS 7 HN LYS 7 -5.158 5.964 -4.577 46 HA LYS 7 HA LYS 7 -2.836 7.337 -5.879 47 1HB LYS 7 2HB LYS 7 -5.724 8.162 -5.541 48 2HB LYS 7 1HB LYS 7 -4.459 9.341 -5.889 49 1HG LYS 7 2HG LYS 7 -4.790 6.857 -7.570 50 2HG LYS 7 1HG LYS 7 -5.714 8.322 -7.905 51 1HD LYS 7 2HD LYS 7 -2.756 8.568 -7.518 52 2HD LYS 7 1HD LYS 7 -3.352 7.922 -9.048 53 1HE LYS 7 2HE LYS 7 -4.991 10.010 -8.892 54 2HE LYS 7 1HE LYS 7 -3.699 10.654 -7.880 55 1HZ LYS 7 1HZ LYS 7 -3.289 9.529 -10.596 56 2HZ LYS 7 3HZ LYS 7 -3.456 11.185 -10.268 57 3HZ LYS 7 2HZ LYS 7 -2.135 10.324 -9.635 58 H VAL 8 HN VAL 8 -1.438 8.070 -4.366 59 HA VAL 8 HA VAL 8 -2.203 8.377 -1.575 60 HB VAL 8 HB VAL 8 0.345 9.377 -2.873 61 1HG1 VAL 8 1HG1 VAL 8 -0.443 9.824 -0.388 62 2HG1 VAL 8 3HG1 VAL 8 0.094 8.162 -0.143 63 3HG1 VAL 8 2HG1 VAL 8 1.230 9.380 -0.724 64 1HG2 VAL 8 3HG2 VAL 8 -0.455 6.587 -2.009 65 2HG2 VAL 8 2HG2 VAL 8 0.200 7.093 -3.567 66 3HG2 VAL 8 1HG2 VAL 8 1.232 7.084 -2.138 67 H THR 9 HN THR 9 -3.243 10.135 -0.806 68 HA THR 9 HA THR 9 -2.811 12.752 -2.191 69 HB THR 9 HB THR 9 -5.234 12.025 -0.539 70 HG1 THR 9 HG1 THR 9 -6.211 11.433 -2.447 71 1HG2 THR 9 3HG2 THR 9 -4.405 14.441 -1.392 72 2HG2 THR 9 2HG2 THR 9 -5.273 13.915 -2.834 73 3HG2 THR 9 1HG2 THR 9 -6.112 14.008 -1.285 74 H ALA 10 HN ALA 10 -2.459 11.042 0.783 75 HA ALA 10 HA ALA 10 -2.764 13.123 2.687 76 1HB ALA 10 2HB ALA 10 -1.112 10.612 2.583 77 2HB ALA 10 1HB ALA 10 -0.912 11.742 3.923 78 3HB ALA 10 3HB ALA 10 -2.484 10.997 3.625 79 H ASP 11 HN ASP 11 -1.292 14.645 3.523 80 HA ASP 11 HA ASP 11 0.576 15.796 1.685 81 1HB ASP 11 2HB ASP 11 -0.127 16.220 4.563 82 2HB ASP 11 1HB ASP 11 1.368 16.934 3.956 83 H SER 12 HN SER 12 1.104 13.915 4.682 84 HA SER 12 HA SER 12 3.957 13.854 4.489 85 1HB SER 12 2HB SER 12 3.611 11.690 5.910 86 2HB SER 12 1HB SER 12 3.118 13.237 6.591 87 HG SER 12 HG SER 12 1.400 11.889 6.844 88 H GLY 13 HN GLY 13 1.434 11.895 3.021 89 1HA GLY 13 2HA GLY 13 1.717 10.616 1.013 90 2HA GLY 13 1HA GLY 13 3.464 10.671 1.252 91 H ILE 14 HN ILE 14 3.975 8.500 1.278 92 HA ILE 14 HA ILE 14 2.615 6.836 3.361 93 HB ILE 14 HB ILE 14 3.837 5.845 0.769 94 1HG1 ILE 14 2HG1 ILE 14 0.909 6.165 1.502 95 2HG1 ILE 14 1HG1 ILE 14 1.790 7.258 0.436 96 1HG2 ILE 14 2HG2 ILE 14 2.583 4.592 3.162 97 2HG2 ILE 14 1HG2 ILE 14 2.152 3.911 1.592 98 3HG2 ILE 14 3HG2 ILE 14 3.842 3.969 2.096 99 1HD1 ILE 14 1HD1 ILE 14 1.682 4.283 -0.075 100 2HD1 ILE 14 3HD1 ILE 14 0.451 5.381 -0.699 101 3HD1 ILE 14 2HD1 ILE 14 2.132 5.566 -1.197 102 1HN HIP 15 HN HIP 15 4.216 7.300 4.942 103 HA HIP 15 HA HIP 15 6.962 6.384 4.275 104 1HB HIP 15 1HB HIP 15 6.803 8.729 5.009 105 2HB HIP 15 2HB HIP 15 7.753 7.769 6.122 106 HD2 HIP 15 2HD HIP 15 3.927 8.846 6.026 107 HE2 HIP 15 2HE HIP 15 3.312 9.440 8.478 108 HE1 HIP 15 1HE HIP 15 5.307 9.094 9.995 109 H ALA 16 HN ALA 16 7.695 6.088 7.111 110 HA ALA 16 HA ALA 16 7.162 3.340 7.428 111 1HB ALA 16 2HB ALA 16 8.865 5.052 8.604 112 2HB ALA 16 1HB ALA 16 7.674 4.906 9.897 113 3HB ALA 16 3HB ALA 16 8.487 3.466 9.280 114 H ARG 17 HN ARG 17 5.343 6.099 8.796 115 HA ARG 17 HA ARG 17 3.822 4.630 10.690 116 1HB ARG 17 2HB ARG 17 3.498 7.208 9.278 117 2HB ARG 17 1HB ARG 17 2.015 6.497 9.907 118 1HG ARG 17 2HG ARG 17 3.552 6.117 12.057 119 2HG ARG 17 1HG ARG 17 4.412 7.500 11.379 120 1HD ARG 17 2HD ARG 17 1.425 7.428 11.896 121 2HD ARG 17 1HD ARG 17 2.607 8.168 12.977 122 HE ARG 17 HE ARG 17 3.189 9.532 10.770 123 1HH1 ARG 17 HH21 ARG 17 0.801 8.652 9.278 124 2HH1 ARG 17 HH22 ARG 17 -0.379 9.849 9.694 125 1HH2 ARG 17 HH11 ARG 17 1.374 11.005 12.452 126 2HH2 ARG 17 HH12 ARG 17 -0.055 11.182 11.491 127 HA PRO 18 HA PRO 18 0.463 3.768 7.410 128 1HB PRO 18 2HB PRO 18 1.007 4.385 4.781 129 2HB PRO 18 1HB PRO 18 0.162 5.473 5.896 130 1HG PRO 18 2HG PRO 18 2.999 5.582 4.948 131 2HG PRO 18 1HG PRO 18 1.911 6.909 5.393 132 1HD PRO 18 2HD PRO 18 3.933 5.924 7.038 133 2HD PRO 18 1HD PRO 18 2.515 6.821 7.610 134 H ALA 19 HN ALA 19 3.841 3.268 6.839 135 HA ALA 19 HA ALA 19 3.546 0.969 5.072 136 1HB ALA 19 1HB ALA 19 5.896 1.926 6.736 137 2HB ALA 19 3HB ALA 19 5.967 0.643 5.528 138 3HB ALA 19 2HB ALA 19 5.610 2.298 5.036 139 H THR 20 HN THR 20 3.577 1.548 8.522 140 HA THR 20 HA THR 20 4.010 -1.273 9.204 141 HB THR 20 HB THR 20 2.898 0.711 11.153 142 HG1 THR 20 HG1 THR 20 5.534 0.694 10.111 143 1HG2 THR 20 3HG2 THR 20 4.648 -1.703 11.139 144 2HG2 THR 20 2HG2 THR 20 4.945 -0.491 12.385 145 3HG2 THR 20 1HG2 THR 20 3.361 -1.254 12.258 146 H VAL 21 HN VAL 21 1.330 0.950 8.750 147 HA VAL 21 HA VAL 21 -0.690 -0.771 9.934 148 HB VAL 21 HB VAL 21 -1.102 1.378 7.865 149 1HG1 VAL 21 1HG1 VAL 21 -2.834 0.093 9.984 150 2HG1 VAL 21 3HG1 VAL 21 -3.275 1.603 9.185 151 3HG1 VAL 21 2HG1 VAL 21 -3.102 0.123 8.241 152 1HG2 VAL 21 2HG2 VAL 21 -0.376 1.543 10.752 153 2HG2 VAL 21 1HG2 VAL 21 -0.028 2.672 9.443 154 3HG2 VAL 21 3HG2 VAL 21 -1.629 2.647 10.183 155 H LEU 22 HN LEU 22 0.604 -0.215 6.721 156 HA LEU 22 HA LEU 22 -1.313 -1.907 5.359 157 1HB LEU 22 2HB LEU 22 1.391 -0.817 4.541 158 2HB LEU 22 1HB LEU 22 0.285 -1.651 3.450 159 HG LEU 22 HG LEU 22 -0.531 0.789 5.042 160 1HD1 LEU 22 2HD1 LEU 22 0.848 0.523 2.373 161 2HD1 LEU 22 1HD1 LEU 22 -0.261 1.865 2.667 162 3HD1 LEU 22 3HD1 LEU 22 1.171 1.668 3.677 163 1HD2 LEU 22 1HD2 LEU 22 -2.072 -1.039 3.746 164 2HD2 LEU 22 3HD2 LEU 22 -2.503 0.667 3.869 165 3HD2 LEU 22 2HD2 LEU 22 -1.720 0.058 2.411 166 H VAL 23 HN VAL 23 2.077 -2.345 6.419 167 HA VAL 23 HA VAL 23 2.410 -4.971 5.367 168 HB VAL 23 HB VAL 23 4.292 -3.597 6.190 169 1HG1 VAL 23 2HG1 VAL 23 3.024 -2.684 8.169 170 2HG1 VAL 23 1HG1 VAL 23 3.273 -4.234 8.971 171 3HG1 VAL 23 3HG1 VAL 23 4.658 -3.229 8.545 172 1HG2 VAL 23 3HG2 VAL 23 4.065 -6.295 6.353 173 2HG2 VAL 23 2HG2 VAL 23 5.540 -5.426 6.781 174 3HG2 VAL 23 1HG2 VAL 23 4.408 -5.918 8.042 175 H GLN 24 HN GLN 24 0.808 -3.821 8.267 176 HA GLN 24 HA GLN 24 0.647 -6.417 9.558 177 1HB GLN 24 2HB GLN 24 -0.906 -3.846 9.958 178 2HB GLN 24 1HB GLN 24 -1.098 -5.273 10.970 179 1HG GLN 24 2HG GLN 24 1.706 -4.512 10.625 180 2HG GLN 24 1HG GLN 24 0.748 -3.244 11.384 181 1HE2 GLN 24 2HE2 GLN 24 1.997 -5.908 13.870 182 2HE2 GLN 24 1HE2 GLN 24 2.808 -5.175 12.573 183 H THR 25 HN THR 25 -1.450 -4.553 7.391 184 HA THR 25 HA THR 25 -3.734 -6.293 7.593 185 HB THR 25 HB THR 25 -3.004 -4.658 5.158 186 HG1 THR 25 HG1 THR 25 -4.213 -3.797 7.574 187 1HG2 THR 25 1HG2 THR 25 -5.480 -5.824 6.362 188 2HG2 THR 25 3HG2 THR 25 -5.616 -4.309 5.468 189 3HG2 THR 25 2HG2 THR 25 -4.985 -5.750 4.671 190 H ALA 26 HN ALA 26 -1.360 -5.988 4.914 191 HA ALA 26 HA ALA 26 -2.182 -8.330 3.533 192 1HB ALA 26 1HB ALA 26 0.517 -6.959 3.648 193 2HB ALA 26 3HB ALA 26 0.120 -8.254 2.518 194 3HB ALA 26 2HB ALA 26 -0.747 -6.721 2.441 195 H SER 27 HN SER 27 -0.294 -7.978 6.439 196 HA SER 27 HA SER 27 1.236 -10.361 6.403 197 1HB SER 27 2HB SER 27 1.497 -8.655 8.151 198 2HB SER 27 1HB SER 27 -0.122 -9.003 8.754 199 HG SER 27 HG SER 27 0.569 -11.064 9.305 200 H LYS 28 HN LYS 28 -2.157 -9.826 7.294 201 HA LYS 28 HA LYS 28 -2.622 -12.537 8.193 202 1HB LYS 28 2HB LYS 28 -4.447 -10.282 7.334 203 2HB LYS 28 1HB LYS 28 -5.071 -11.864 7.800 204 1HG LYS 28 2HG LYS 28 -5.059 -11.035 9.913 205 2HG LYS 28 1HG LYS 28 -3.321 -11.327 9.857 206 1HD LYS 28 2HD LYS 28 -3.121 -8.985 8.824 207 2HD LYS 28 1HD LYS 28 -4.794 -8.741 9.326 208 1HE LYS 28 2HE LYS 28 -3.897 -9.625 11.651 209 2HE LYS 28 1HE LYS 28 -2.342 -9.090 11.014 210 1HZ LYS 28 1HZ LYS 28 -4.786 -7.411 11.175 211 2HZ LYS 28 3HZ LYS 28 -3.489 -7.347 12.267 212 3HZ LYS 28 2HZ LYS 28 -3.253 -6.906 10.643 213 H TYR 29 HN TYR 29 -2.723 -10.907 5.080 214 HA TYR 29 HA TYR 29 -3.941 -13.275 3.783 215 1HB TYR 29 2HB TYR 29 -2.998 -10.663 2.549 216 2HB TYR 29 1HB TYR 29 -3.978 -11.904 1.762 217 HD1 TYR 29 2HD TYR 29 -6.262 -12.458 2.708 218 HD2 TYR 29 1HD TYR 29 -4.003 -9.026 3.958 219 HE1 TYR 29 2HE TYR 29 -8.321 -11.445 3.648 220 HE2 TYR 29 1HE TYR 29 -6.063 -8.013 4.898 221 HH TYR 29 HH TYR 29 -8.334 -8.968 5.798 222 H ASP 30 HN ASP 30 -2.694 -14.850 2.934 223 HA ASP 30 HA ASP 30 0.219 -14.548 2.885 224 1HB ASP 30 2HB ASP 30 -1.496 -16.872 1.965 225 2HB ASP 30 1HB ASP 30 0.240 -16.910 2.276 226 H ALA 31 HN ALA 31 -2.076 -13.524 0.736 227 HA ALA 31 HA ALA 31 -1.151 -14.522 -1.774 228 1HB ALA 31 2HB ALA 31 -3.292 -13.222 -1.347 229 2HB ALA 31 1HB ALA 31 -2.300 -11.766 -1.270 230 3HB ALA 31 3HB ALA 31 -2.375 -12.703 -2.762 231 H ASP 32 HN ASP 32 -0.228 -12.708 -3.407 232 HA ASP 32 HA ASP 32 2.275 -11.702 -2.124 233 1HB ASP 32 2HB ASP 32 1.663 -12.529 -4.973 234 2HB ASP 32 1HB ASP 32 3.155 -11.712 -4.506 235 H VAL 33 HN VAL 33 1.078 -9.767 -1.442 236 HA VAL 33 HA VAL 33 0.138 -7.953 -3.577 237 HB VAL 33 HB VAL 33 -0.512 -6.482 -1.690 238 1HG1 VAL 33 3HG1 VAL 33 -1.383 -9.292 -1.993 239 2HG1 VAL 33 2HG1 VAL 33 -1.844 -8.544 -0.463 240 3HG1 VAL 33 1HG1 VAL 33 -2.339 -7.810 -1.990 241 1HG2 VAL 33 3HG2 VAL 33 1.370 -8.197 -0.277 242 2HG2 VAL 33 2HG2 VAL 33 0.675 -6.658 0.225 243 3HG2 VAL 33 1HG2 VAL 33 -0.187 -8.159 0.548 244 H ASN 34 HN ASN 34 1.704 -6.841 -4.641 245 HA ASN 34 HA ASN 34 3.991 -5.765 -3.036 246 1HB ASN 34 2HB ASN 34 3.927 -6.692 -5.921 247 2HB ASN 34 1HB ASN 34 5.297 -5.870 -5.173 248 1HD2 ASN 34 2HD2 ASN 34 5.584 -9.667 -4.872 249 2HD2 ASN 34 1HD2 ASN 34 5.203 -8.680 -6.199 250 H LEU 35 HN LEU 35 4.320 -3.590 -3.146 251 HA LEU 35 HA LEU 35 2.437 -1.983 -4.775 252 1HB LEU 35 2HB LEU 35 2.912 -1.531 -2.302 253 2HB LEU 35 1HB LEU 35 4.505 -0.969 -2.809 254 HG LEU 35 HG LEU 35 2.178 0.137 -4.295 255 1HD1 LEU 35 2HD1 LEU 35 2.591 0.447 -1.365 256 2HD1 LEU 35 1HD1 LEU 35 2.272 1.925 -2.272 257 3HD1 LEU 35 3HD1 LEU 35 1.114 0.597 -2.315 258 1HD2 LEU 35 1HD2 LEU 35 4.836 0.633 -4.298 259 2HD2 LEU 35 3HD2 LEU 35 3.639 1.865 -4.697 260 3HD2 LEU 35 2HD2 LEU 35 4.327 1.797 -3.075 261 H GLU 36 HN GLU 36 3.255 -0.262 -6.170 262 HA GLU 36 HA GLU 36 6.119 -0.563 -6.968 263 1HB GLU 36 2HB GLU 36 4.605 -1.831 -8.527 264 2HB GLU 36 1HB GLU 36 3.815 -0.304 -8.921 265 1HG GLU 36 2HG GLU 36 5.727 0.565 -9.967 266 2HG GLU 36 1HG GLU 36 6.805 -0.563 -9.145 267 H TYR 37 HN TYR 37 7.132 1.383 -7.144 268 HA TYR 37 HA TYR 37 5.707 3.786 -8.010 269 1HB TYR 37 2HB TYR 37 5.116 3.613 -5.576 270 2HB TYR 37 1HB TYR 37 6.835 3.705 -5.197 271 HD1 TYR 37 1HD TYR 37 4.458 5.510 -7.483 272 HD2 TYR 37 2HD TYR 37 7.559 5.807 -4.525 273 HE1 TYR 37 1HE TYR 37 4.362 7.983 -7.631 274 HE2 TYR 37 2HE TYR 37 7.462 8.281 -4.675 275 HH TYR 37 HH TYR 37 6.717 9.982 -6.519 276 H ASN 38 HN ASN 38 7.147 5.103 -9.034 277 HA ASN 38 HA ASN 38 9.187 5.933 -9.838 278 1HB ASN 38 2HB ASN 38 9.363 6.454 -7.322 279 2HB ASN 38 1HB ASN 38 10.408 5.036 -7.225 280 1HD2 ASN 38 2HD2 ASN 38 11.735 8.279 -9.392 281 2HD2 ASN 38 1HD2 ASN 38 10.065 8.021 -9.235 282 H GLY 39 HN GLY 39 8.527 3.258 -10.539 283 1HA GLY 39 2HA GLY 39 9.522 1.363 -11.501 284 2HA GLY 39 1HA GLY 39 11.009 2.309 -11.556 285 H LYS 40 HN LYS 40 9.372 1.684 -8.527 286 HA LYS 40 HA LYS 40 11.494 -0.299 -7.819 287 1HB LYS 40 2HB LYS 40 10.372 1.882 -6.030 288 2HB LYS 40 1HB LYS 40 11.599 0.700 -5.576 289 1HG LYS 40 2HG LYS 40 12.239 2.183 -8.042 290 2HG LYS 40 1HG LYS 40 12.125 3.204 -6.610 291 1HD LYS 40 2HD LYS 40 13.576 0.745 -6.024 292 2HD LYS 40 1HD LYS 40 14.317 1.616 -7.365 293 1HE LYS 40 2HE LYS 40 13.829 3.682 -5.673 294 2HE LYS 40 1HE LYS 40 14.092 2.383 -4.510 295 1HZ LYS 40 2HZ LYS 40 16.146 1.845 -5.829 296 2HZ LYS 40 1HZ LYS 40 15.930 3.329 -6.629 297 3HZ LYS 40 3HZ LYS 40 16.193 3.302 -4.953 298 H THR 41 HN THR 41 10.265 -2.158 -7.817 299 HA THR 41 HA THR 41 7.577 -2.116 -6.576 300 HB THR 41 HB THR 41 9.026 -4.429 -7.891 301 HG1 THR 41 HG1 THR 41 7.187 -2.546 -8.949 302 1HG2 THR 41 1HG2 THR 41 6.857 -4.554 -6.303 303 2HG2 THR 41 3HG2 THR 41 6.064 -4.151 -7.827 304 3HG2 THR 41 2HG2 THR 41 7.061 -5.600 -7.708 305 H VAL 42 HN VAL 42 7.859 -2.082 -4.360 306 HA VAL 42 HA VAL 42 9.647 -4.156 -3.166 307 HB VAL 42 HB VAL 42 9.014 -2.821 -0.987 308 1HG1 VAL 42 1HG1 VAL 42 11.199 -2.879 -2.624 309 2HG1 VAL 42 3HG1 VAL 42 10.824 -1.154 -2.605 310 3HG1 VAL 42 2HG1 VAL 42 11.116 -2.012 -1.090 311 1HG2 VAL 42 1HG2 VAL 42 7.362 -1.394 -2.400 312 2HG2 VAL 42 3HG2 VAL 42 8.398 -0.561 -1.241 313 3HG2 VAL 42 2HG2 VAL 42 8.805 -0.546 -2.957 314 H ASN 43 HN ASN 43 8.805 -5.617 -1.649 315 HA ASN 43 HA ASN 43 6.037 -6.369 -1.995 316 1HB ASN 43 2HB ASN 43 7.999 -7.890 -1.328 317 2HB ASN 43 1HB ASN 43 7.841 -7.206 0.290 318 1HD2 ASN 43 2HD2 ASN 43 5.684 -10.105 0.579 319 2HD2 ASN 43 1HD2 ASN 43 7.315 -9.652 0.711 320 H LEU 44 HN LEU 44 4.275 -5.960 -0.581 321 HA LEU 44 HA LEU 44 4.385 -3.541 0.937 322 1HB LEU 44 2HB LEU 44 2.295 -4.593 -0.025 323 2HB LEU 44 1HB LEU 44 2.338 -5.720 1.336 324 HG LEU 44 HG LEU 44 2.628 -3.496 2.741 325 1HD1 LEU 44 1HD1 LEU 44 1.362 -2.584 0.166 326 2HD1 LEU 44 3HD1 LEU 44 1.192 -1.700 1.685 327 3HD1 LEU 44 2HD1 LEU 44 2.791 -1.930 0.973 328 1HD2 LEU 44 2HD2 LEU 44 0.765 -5.218 2.709 329 2HD2 LEU 44 1HD2 LEU 44 0.326 -3.597 3.230 330 3HD2 LEU 44 3HD2 LEU 44 -0.079 -4.135 1.600 331 H LYS 45 HN LYS 45 5.412 -6.719 1.763 332 HA LYS 45 HA LYS 45 5.118 -6.261 4.661 333 1HB LYS 45 2HB LYS 45 6.422 -8.497 3.071 334 2HB LYS 45 1HB LYS 45 6.308 -8.463 4.828 335 1HG LYS 45 2HG LYS 45 4.245 -9.353 4.706 336 2HG LYS 45 1HG LYS 45 3.693 -7.937 3.816 337 1HD LYS 45 2HD LYS 45 4.474 -8.978 1.703 338 2HD LYS 45 1HD LYS 45 4.972 -10.407 2.606 339 1HE LYS 45 2HE LYS 45 2.403 -10.151 3.472 340 2HE LYS 45 1HE LYS 45 2.257 -9.516 1.833 341 1HZ LYS 45 3HZ LYS 45 3.311 -11.520 0.996 342 2HZ LYS 45 2HZ LYS 45 3.453 -12.130 2.576 343 3HZ LYS 45 1HZ LYS 45 1.918 -11.904 1.884 344 H SER 46 HN SER 46 6.539 -4.184 3.582 345 HA SER 46 HA SER 46 9.221 -4.616 4.753 346 1HB SER 46 2HB SER 46 9.451 -5.163 2.312 347 2HB SER 46 1HB SER 46 8.900 -3.534 1.927 348 HG SER 46 HG SER 46 11.233 -3.843 2.055 349 H ILE 47 HN ILE 47 8.819 -3.090 6.326 350 HA ILE 47 HA ILE 47 7.570 -0.527 5.705 351 HB ILE 47 HB ILE 47 9.037 -1.335 8.225 352 1HG1 ILE 47 2HG1 ILE 47 6.130 -1.726 7.412 353 2HG1 ILE 47 1HG1 ILE 47 7.313 -3.000 7.688 354 1HG2 ILE 47 2HG2 ILE 47 8.363 1.120 7.670 355 2HG2 ILE 47 1HG2 ILE 47 6.711 0.566 7.952 356 3HG2 ILE 47 3HG2 ILE 47 7.908 0.466 9.244 357 1HD1 ILE 47 1HD1 ILE 47 7.556 -1.850 10.052 358 2HD1 ILE 47 3HD1 ILE 47 5.947 -1.231 9.683 359 3HD1 ILE 47 2HD1 ILE 47 6.230 -2.970 9.744 360 H MET 48 HN MET 48 10.854 -1.672 6.401 361 HA MET 48 HA MET 48 12.027 0.987 6.295 362 1HB MET 48 2HB MET 48 13.001 -1.002 7.523 363 2HB MET 48 1HB MET 48 13.446 -1.665 5.950 364 1HG MET 48 2HG MET 48 14.950 0.101 5.500 365 2HG MET 48 1HG MET 48 14.249 1.131 6.749 366 1HE MET 48 2HE MET 48 17.260 0.155 5.990 367 2HE MET 48 1HE MET 48 17.037 1.411 7.205 368 3HE MET 48 3HE MET 48 18.043 0.000 7.560 369 H GLY 49 HN GLY 49 11.074 -1.321 3.894 370 1HA GLY 49 2HA GLY 49 12.939 -0.257 1.868 371 2HA GLY 49 1HA GLY 49 11.769 -1.553 1.619 372 H VAL 50 HN VAL 50 9.417 -0.300 2.480 373 HA VAL 50 HA VAL 50 8.656 1.176 0.164 374 HB VAL 50 HB VAL 50 7.313 1.173 2.886 375 1HG1 VAL 50 2HG1 VAL 50 6.498 2.924 1.338 376 2HG1 VAL 50 1HG1 VAL 50 6.227 1.696 0.101 377 3HG1 VAL 50 3HG1 VAL 50 5.279 1.674 1.588 378 1HG2 VAL 50 1HG2 VAL 50 7.861 -1.052 1.468 379 2HG2 VAL 50 3HG2 VAL 50 6.358 -0.856 2.370 380 3HG2 VAL 50 2HG2 VAL 50 6.391 -0.549 0.633 381 H VAL 51 HN VAL 51 9.971 2.206 3.254 382 HA VAL 51 HA VAL 51 9.323 5.021 2.882 383 HB VAL 51 HB VAL 51 11.418 3.768 4.685 384 1HG1 VAL 51 1HG1 VAL 51 10.253 6.500 4.352 385 2HG1 VAL 51 3HG1 VAL 51 10.599 5.951 5.992 386 3HG1 VAL 51 2HG1 VAL 51 11.892 6.026 4.796 387 1HG2 VAL 51 3HG2 VAL 51 8.906 3.022 4.859 388 2HG2 VAL 51 2HG2 VAL 51 9.765 3.491 6.326 389 3HG2 VAL 51 1HG2 VAL 51 8.665 4.628 5.547 390 H SER 52 HN SER 52 12.003 2.906 2.052 391 HA SER 52 HA SER 52 13.963 4.900 1.476 392 1HB SER 52 2HB SER 52 15.131 3.186 0.290 393 2HB SER 52 1HB SER 52 14.299 2.370 1.611 394 HG SER 52 HG SER 52 14.085 1.927 -0.989 395 H LEU 53 HN LEU 53 11.147 3.809 -0.293 396 HA LEU 53 HA LEU 53 11.861 4.724 -2.901 397 1HB LEU 53 2HB LEU 53 9.253 4.262 -1.474 398 2HB LEU 53 1HB LEU 53 9.260 5.023 -3.065 399 HG LEU 53 HG LEU 53 10.961 2.927 -3.496 400 1HD1 LEU 53 1HD1 LEU 53 10.202 2.237 -1.062 401 2HD1 LEU 53 3HD1 LEU 53 8.761 1.659 -1.897 402 3HD1 LEU 53 2HD1 LEU 53 10.345 1.013 -2.323 403 1HD2 LEU 53 3HD2 LEU 53 7.933 2.933 -3.718 404 2HD2 LEU 53 2HD2 LEU 53 9.063 3.559 -4.917 405 3HD2 LEU 53 1HD2 LEU 53 9.006 1.830 -4.577 406 H GLY 54 HN GLY 54 9.973 6.364 -0.337 407 1HA GLY 54 2HA GLY 54 10.210 8.693 0.233 408 2HA GLY 54 1HA GLY 54 11.022 8.962 -1.309 409 H ILE 55 HN ILE 55 7.851 7.585 -0.362 410 HA ILE 55 HA ILE 55 6.556 8.810 -2.673 411 HB ILE 55 HB ILE 55 5.277 7.513 -0.246 412 1HG1 ILE 55 2HG1 ILE 55 5.908 6.194 -2.894 413 2HG1 ILE 55 1HG1 ILE 55 7.023 6.126 -1.529 414 1HG2 ILE 55 3HG2 ILE 55 4.331 8.480 -2.902 415 2HG2 ILE 55 2HG2 ILE 55 3.647 6.967 -2.311 416 3HG2 ILE 55 1HG2 ILE 55 3.487 8.441 -1.355 417 1HD1 ILE 55 2HD1 ILE 55 4.120 5.299 -1.318 418 2HD1 ILE 55 1HD1 ILE 55 5.412 4.165 -1.711 419 3HD1 ILE 55 3HD1 ILE 55 5.413 4.998 -0.156 420 H ALA 56 HN ALA 56 4.791 10.380 -2.487 421 HA ALA 56 HA ALA 56 4.597 11.915 0.023 422 1HB ALA 56 2HB ALA 56 6.410 12.703 -1.998 423 2HB ALA 56 1HB ALA 56 5.038 13.803 -2.127 424 3HB ALA 56 3HB ALA 56 5.900 13.644 -0.597 425 H LYS 57 HN LYS 57 3.201 14.086 -0.815 426 HA LYS 57 HA LYS 57 0.625 12.985 -1.488 427 1HB LYS 57 2HB LYS 57 -0.073 15.392 -1.621 428 2HB LYS 57 1HB LYS 57 0.770 14.991 -0.125 429 1HG LYS 57 2HG LYS 57 2.769 16.039 -0.829 430 2HG LYS 57 1HG LYS 57 2.261 16.063 -2.518 431 1HD LYS 57 2HD LYS 57 0.564 17.507 -0.525 432 2HD LYS 57 1HD LYS 57 2.093 18.247 -1.002 433 1HE LYS 57 2HE LYS 57 0.385 17.171 -3.191 434 2HE LYS 57 1HE LYS 57 -0.180 18.636 -2.387 435 1HZ LYS 57 2HZ LYS 57 2.254 19.393 -2.715 436 2HZ LYS 57 1HZ LYS 57 2.291 18.198 -3.920 437 3HZ LYS 57 3HZ LYS 57 1.176 19.470 -4.025 438 H GLY 58 HN GLY 58 -0.522 13.100 -3.439 439 1HA GLY 58 2HA GLY 58 -0.866 13.366 -5.754 440 2HA GLY 58 1HA GLY 58 0.485 14.502 -5.770 441 H ALA 59 HN ALA 59 0.161 11.015 -5.015 442 HA ALA 59 HA ALA 59 2.250 10.482 -7.083 443 1HB ALA 59 2HB ALA 59 2.187 9.598 -4.199 444 2HB ALA 59 1HB ALA 59 3.049 8.655 -5.416 445 3HB ALA 59 3HB ALA 59 3.518 10.326 -5.099 446 H GLU 60 HN GLU 60 2.154 8.296 -7.947 447 HA GLU 60 HA GLU 60 -0.518 7.009 -7.543 448 1HB GLU 60 2HB GLU 60 1.223 6.968 -10.028 449 2HB GLU 60 1HB GLU 60 -0.386 6.263 -9.869 450 1HG GLU 60 2HG GLU 60 -0.915 8.307 -10.837 451 2HG GLU 60 1HG GLU 60 -1.038 8.718 -9.126 452 H ILE 61 HN ILE 61 -0.382 5.044 -6.601 453 HA ILE 61 HA ILE 61 2.161 3.497 -6.917 454 HB ILE 61 HB ILE 61 1.567 2.471 -4.694 455 1HG1 ILE 61 2HG1 ILE 61 -0.488 4.712 -4.650 456 2HG1 ILE 61 1HG1 ILE 61 -0.867 2.998 -4.800 457 1HG2 ILE 61 3HG2 ILE 61 3.127 4.454 -5.025 458 2HG2 ILE 61 2HG2 ILE 61 1.774 5.490 -4.568 459 3HG2 ILE 61 1HG2 ILE 61 2.415 4.317 -3.416 460 1HD1 ILE 61 3HD1 ILE 61 0.867 3.311 -2.546 461 2HD1 ILE 61 2HD1 ILE 61 -0.421 4.506 -2.410 462 3HD1 ILE 61 1HD1 ILE 61 -0.818 2.795 -2.560 463 H THR 62 HN THR 62 1.961 1.458 -7.745 464 HA THR 62 HA THR 62 -0.803 0.489 -8.305 465 HB THR 62 HB THR 62 1.672 -0.682 -9.546 466 HG1 THR 62 HG1 THR 62 1.382 0.935 -11.191 467 1HG2 THR 62 1HG2 THR 62 -1.254 -0.532 -10.089 468 2HG2 THR 62 3HG2 THR 62 -0.175 -0.562 -11.483 469 3HG2 THR 62 2HG2 THR 62 -0.137 -1.879 -10.311 470 H ILE 63 HN ILE 63 -1.529 -1.118 -7.030 471 HA ILE 63 HA ILE 63 0.468 -2.895 -5.693 472 HB ILE 63 HB ILE 63 -2.388 -2.221 -4.905 473 1HG1 ILE 63 2HG1 ILE 63 0.255 -1.467 -3.619 474 2HG1 ILE 63 1HG1 ILE 63 -0.720 -0.384 -4.611 475 1HG2 ILE 63 3HG2 ILE 63 -0.313 -4.088 -3.765 476 2HG2 ILE 63 2HG2 ILE 63 -1.537 -3.362 -2.723 477 3HG2 ILE 63 1HG2 ILE 63 -2.024 -4.390 -4.071 478 1HD1 ILE 63 1HD1 ILE 63 -2.607 -1.221 -2.859 479 2HD1 ILE 63 3HD1 ILE 63 -1.176 -1.327 -1.834 480 3HD1 ILE 63 2HD1 ILE 63 -1.609 0.207 -2.588 481 H SER 64 HN SER 64 0.078 -5.173 -5.747 482 HA SER 64 HA SER 64 -2.218 -6.166 -7.317 483 1HB SER 64 2HB SER 64 -0.508 -7.565 -8.692 484 2HB SER 64 1HB SER 64 -0.777 -5.885 -9.150 485 HG SER 64 HG SER 64 1.377 -6.017 -8.989 486 H ALA 65 HN ALA 65 -2.992 -7.702 -5.969 487 HA ALA 65 HA ALA 65 -1.140 -9.283 -4.276 488 1HB ALA 65 1HB ALA 65 -3.465 -8.258 -3.580 489 2HB ALA 65 3HB ALA 65 -4.119 -9.692 -4.373 490 3HB ALA 65 2HB ALA 65 -3.018 -9.865 -3.006 491 H SER 66 HN SER 66 -0.545 -11.350 -4.832 492 HA SER 66 HA SER 66 -2.204 -12.817 -6.824 493 1HB SER 66 2HB SER 66 0.374 -11.674 -7.319 494 2HB SER 66 1HB SER 66 0.537 -13.426 -7.343 495 HG SER 66 HG SER 66 -0.711 -11.749 -9.095 496 H GLY 67 HN GLY 67 -2.876 -14.493 -5.539 497 1HA GLY 67 2HA GLY 67 -1.174 -16.631 -4.856 498 2HA GLY 67 1HA GLY 67 -1.327 -15.637 -3.406 499 H ALA 68 HN ALA 68 -2.690 -16.827 -2.124 500 HA ALA 68 HA ALA 68 -5.010 -18.222 -3.246 501 1HB ALA 68 3HB ALA 68 -3.834 -17.899 -0.495 502 2HB ALA 68 2HB ALA 68 -5.462 -18.550 -0.691 503 3HB ALA 68 1HB ALA 68 -4.087 -19.377 -1.425 504 H ASP 69 HN ASP 69 -4.895 -15.983 -0.466 505 HA ASP 69 HA ASP 69 -7.563 -14.969 -1.233 506 1HB ASP 69 2HB ASP 69 -7.393 -13.733 0.960 507 2HB ASP 69 1HB ASP 69 -7.284 -15.484 1.111 508 H GLU 70 HN GLU 70 -5.845 -14.193 -3.151 509 HA GLU 70 HA GLU 70 -4.479 -11.707 -2.664 510 1HB GLU 70 2HB GLU 70 -4.502 -11.497 -5.156 511 2HB GLU 70 1HB GLU 70 -3.912 -13.065 -4.604 512 1HG GLU 70 2HG GLU 70 -5.986 -14.135 -5.125 513 2HG GLU 70 1HG GLU 70 -6.806 -12.589 -5.346 514 H ASN 71 HN ASN 71 -7.804 -12.523 -3.430 515 HA ASN 71 HA ASN 71 -8.563 -9.809 -4.178 516 1HB ASN 71 2HB ASN 71 -10.317 -12.129 -3.312 517 2HB ASN 71 1HB ASN 71 -10.850 -10.673 -4.152 518 1HD2 ASN 71 2HD2 ASN 71 -9.225 -11.666 -7.261 519 2HD2 ASN 71 1HD2 ASN 71 -9.454 -10.284 -6.303 520 H ASP 72 HN ASP 72 -8.616 -11.758 -1.231 521 HA ASP 72 HA ASP 72 -10.130 -9.796 0.301 522 1HB ASP 72 2HB ASP 72 -8.377 -12.038 1.345 523 2HB ASP 72 1HB ASP 72 -9.675 -11.213 2.208 524 H ALA 73 HN ALA 73 -6.785 -10.192 -0.557 525 HA ALA 73 HA ALA 73 -5.771 -8.608 1.684 526 1HB ALA 73 1HB ALA 73 -4.401 -10.361 0.544 527 2HB ALA 73 3HB ALA 73 -4.383 -9.351 -0.902 528 3HB ALA 73 2HB ALA 73 -3.618 -8.780 0.580 529 H LEU 74 HN LEU 74 -6.361 -8.051 -1.800 530 HA LEU 74 HA LEU 74 -5.360 -5.368 -1.802 531 1HB LEU 74 2HB LEU 74 -6.514 -5.120 -3.950 532 2HB LEU 74 1HB LEU 74 -5.682 -6.668 -3.869 533 HG LEU 74 HG LEU 74 -8.044 -7.478 -2.934 534 1HD1 LEU 74 1HD1 LEU 74 -8.641 -4.838 -3.507 535 2HD1 LEU 74 3HD1 LEU 74 -9.177 -5.669 -4.968 536 3HD1 LEU 74 2HD1 LEU 74 -9.827 -6.139 -3.398 537 1HD2 LEU 74 1HD2 LEU 74 -7.340 -6.987 -5.840 538 2HD2 LEU 74 3HD2 LEU 74 -6.948 -8.419 -4.889 539 3HD2 LEU 74 2HD2 LEU 74 -8.627 -8.066 -5.301 540 H ASN 75 HN ASN 75 -8.668 -6.634 -1.324 541 HA ASN 75 HA ASN 75 -9.783 -3.960 -1.042 542 1HB ASN 75 2HB ASN 75 -11.843 -5.117 -0.330 543 2HB ASN 75 1HB ASN 75 -11.196 -5.826 -1.807 544 1HD2 ASN 75 2HD2 ASN 75 -12.019 -8.623 0.524 545 2HD2 ASN 75 1HD2 ASN 75 -12.905 -7.393 -0.238 546 H ALA 76 HN ALA 76 -8.198 -6.216 1.082 547 HA ALA 76 HA ALA 76 -9.265 -5.242 3.573 548 1HB ALA 76 1HB ALA 76 -6.615 -6.562 2.906 549 2HB ALA 76 3HB ALA 76 -7.178 -6.247 4.547 550 3HB ALA 76 2HB ALA 76 -8.068 -7.359 3.509 551 H LEU 77 HN LEU 77 -6.123 -4.585 1.963 552 HA LEU 77 HA LEU 77 -5.426 -2.401 3.676 553 1HB LEU 77 2HB LEU 77 -4.558 -2.850 0.810 554 2HB LEU 77 1HB LEU 77 -3.715 -1.892 2.027 555 HG LEU 77 HG LEU 77 -4.216 -4.546 3.071 556 1HD1 LEU 77 2HD1 LEU 77 -4.045 -4.757 0.390 557 2HD1 LEU 77 1HD1 LEU 77 -2.326 -4.745 0.786 558 3HD1 LEU 77 3HD1 LEU 77 -3.385 -5.970 1.487 559 1HD2 LEU 77 3HD2 LEU 77 -1.702 -3.021 2.325 560 2HD2 LEU 77 2HD2 LEU 77 -2.479 -3.057 3.907 561 3HD2 LEU 77 1HD2 LEU 77 -1.722 -4.513 3.264 562 H GLU 78 HN GLU 78 -7.351 -2.610 0.729 563 HA GLU 78 HA GLU 78 -7.397 0.137 0.008 564 1HB GLU 78 2HB GLU 78 -8.340 -1.710 -1.374 565 2HB GLU 78 1HB GLU 78 -9.665 -1.862 -0.224 566 1HG GLU 78 2HG GLU 78 -9.720 0.830 -0.763 567 2HG GLU 78 1HG GLU 78 -9.218 0.168 -2.318 568 H GLU 79 HN GLU 79 -9.722 -1.633 2.099 569 HA GLU 79 HA GLU 79 -11.246 0.672 2.814 570 1HB GLU 79 2HB GLU 79 -12.020 -0.716 4.741 571 2HB GLU 79 1HB GLU 79 -12.106 -1.575 3.203 572 1HG GLU 79 2HG GLU 79 -10.214 -2.890 3.689 573 2HG GLU 79 1HG GLU 79 -9.669 -1.797 4.961 574 H THR 80 HN THR 80 -8.193 -0.580 3.998 575 HA THR 80 HA THR 80 -8.133 0.923 6.466 576 HB THR 80 HB THR 80 -5.779 -0.010 4.795 577 HG1 THR 80 HG1 THR 80 -7.202 -1.348 6.851 578 1HG2 THR 80 2HG2 THR 80 -5.642 1.622 6.885 579 2HG2 THR 80 1HG2 THR 80 -5.831 0.115 7.781 580 3HG2 THR 80 3HG2 THR 80 -4.473 0.319 6.673 581 H MET 81 HN MET 81 -7.275 1.600 3.126 582 HA MET 81 HA MET 81 -5.879 4.080 3.639 583 1HB MET 81 2HB MET 81 -7.095 2.765 1.221 584 2HB MET 81 1HB MET 81 -6.578 4.446 1.129 585 1HG MET 81 2HG MET 81 -4.427 3.216 2.377 586 2HG MET 81 1HG MET 81 -4.964 1.990 1.230 587 1HE MET 81 2HE MET 81 -2.848 1.984 0.250 588 2HE MET 81 1HE MET 81 -3.841 1.992 -1.205 589 3HE MET 81 3HE MET 81 -2.382 2.988 -1.120 590 H LYS 82 HN LYS 82 -9.235 3.165 3.140 591 HA LYS 82 HA LYS 82 -10.195 5.898 2.816 592 1HB LYS 82 2HB LYS 82 -11.495 3.208 3.204 593 2HB LYS 82 1HB LYS 82 -12.451 4.687 3.315 594 1HG LYS 82 2HG LYS 82 -12.282 5.126 1.078 595 2HG LYS 82 1HG LYS 82 -10.633 4.508 0.976 596 1HD LYS 82 2HD LYS 82 -11.378 2.246 0.880 597 2HD LYS 82 1HD LYS 82 -13.013 2.687 1.378 598 1HE LYS 82 2HE LYS 82 -11.686 3.496 -1.227 599 2HE LYS 82 1HE LYS 82 -12.926 2.255 -1.049 600 1HZ LYS 82 2HZ LYS 82 -14.240 4.160 0.071 601 2HZ LYS 82 1HZ LYS 82 -13.166 5.172 -0.771 602 3HZ LYS 82 3HZ LYS 82 -14.155 4.092 -1.625 603 H SER 83 HN SER 83 -9.644 3.707 5.498 604 HA SER 83 HA SER 83 -11.240 5.228 7.405 605 1HB SER 83 2HB SER 83 -9.782 3.801 9.051 606 2HB SER 83 1HB SER 83 -10.981 2.993 8.047 607 HG SER 83 HG SER 83 -8.810 2.059 8.052 608 H GLU 84 HN GLU 84 -7.712 4.604 7.347 609 HA GLU 84 HA GLU 84 -7.057 6.789 9.061 610 1HB GLU 84 2HB GLU 84 -5.457 5.203 7.048 611 2HB GLU 84 1HB GLU 84 -4.734 6.507 7.988 612 1HG GLU 84 2HG GLU 84 -6.322 4.419 9.431 613 2HG GLU 84 1HG GLU 84 -4.693 4.014 8.890 614 H GLY 85 HN GLY 85 -7.601 6.608 5.599 615 1HA GLY 85 2HA GLY 85 -8.071 8.438 4.155 616 2HA GLY 85 1HA GLY 85 -7.600 9.544 5.448 617 H LEU 86 HN LEU 86 -5.646 6.839 4.295 618 HA LEU 86 HA LEU 86 -3.391 8.652 3.830 619 1HB LEU 86 2HB LEU 86 -3.663 5.661 3.417 620 2HB LEU 86 1HB LEU 86 -2.155 6.571 3.313 621 HG LEU 86 HG LEU 86 -3.929 6.475 5.771 622 1HD1 LEU 86 3HD1 LEU 86 -1.554 4.862 4.889 623 2HD1 LEU 86 2HD1 LEU 86 -1.808 5.180 6.605 624 3HD1 LEU 86 1HD1 LEU 86 -3.036 4.318 5.675 625 1HD2 LEU 86 2HD2 LEU 86 -1.187 7.637 5.192 626 2HD2 LEU 86 1HD2 LEU 86 -2.630 8.508 5.713 627 3HD2 LEU 86 3HD2 LEU 86 -1.813 7.408 6.825 628 H GLY 87 HN GLY 87 -5.559 6.628 1.880 629 1HA GLY 87 2HA GLY 87 -5.127 8.313 -0.457 630 2HA GLY 87 1HA GLY 87 -4.405 6.712 -0.631 631 H GLU 88 HN GLU 88 -6.140 6.771 -2.445 632 HA GLU 88 HA GLU 88 -8.673 5.638 -1.327 633 1HB GLU 88 2HB GLU 88 -9.832 6.604 -3.331 634 2HB GLU 88 1HB GLU 88 -9.181 7.832 -2.245 635 1HG GLU 88 2HG GLU 88 -7.152 7.985 -3.686 636 2HG GLU 88 1HG GLU 88 -7.892 6.837 -4.802 No H/Q in entry = 636 Start of MODEL 5 1 1H ALA 2 3HT ALA 2 -4.879 -9.959 -10.144 2 2H ALA 2 2HT ALA 2 -6.332 -10.841 -10.154 3 3H ALA 2 1HT ALA 2 -6.287 -9.265 -10.784 4 HA ALA 2 HA ALA 2 -7.268 -8.977 -8.714 5 1HB ALA 2 2HB ALA 2 -5.135 -10.883 -7.705 6 2HB ALA 2 1HB ALA 2 -6.289 -10.038 -6.672 7 3HB ALA 2 3HB ALA 2 -6.861 -11.220 -7.850 8 H GLN 3 HN GLN 3 -6.513 -6.857 -9.163 9 HA GLN 3 HA GLN 3 -4.423 -5.900 -7.386 10 1HB GLN 3 2HB GLN 3 -3.036 -4.899 -9.248 11 2HB GLN 3 1HB GLN 3 -2.931 -6.653 -9.127 12 1HG GLN 3 2HG GLN 3 -4.796 -6.751 -10.870 13 2HG GLN 3 1HG GLN 3 -4.525 -5.026 -11.116 14 1HE2 GLN 3 2HE2 GLN 3 -2.337 -6.526 -13.622 15 2HE2 GLN 3 1HE2 GLN 3 -3.978 -6.165 -13.387 16 H LYS 4 HN LYS 4 -4.429 -3.581 -7.260 17 HA LYS 4 HA LYS 4 -6.407 -2.161 -8.960 18 1HB LYS 4 2HB LYS 4 -7.189 -3.088 -6.501 19 2HB LYS 4 1HB LYS 4 -6.601 -1.477 -6.090 20 1HG LYS 4 2HG LYS 4 -8.017 -0.885 -8.318 21 2HG LYS 4 1HG LYS 4 -8.937 -2.275 -7.743 22 1HD LYS 4 2HD LYS 4 -8.969 -1.153 -5.457 23 2HD LYS 4 1HD LYS 4 -8.345 0.291 -6.255 24 1HE LYS 4 2HE LYS 4 -10.901 -1.149 -7.026 25 2HE LYS 4 1HE LYS 4 -10.825 0.330 -6.069 26 1HZ LYS 4 2HZ LYS 4 -9.536 1.294 -7.991 27 2HZ LYS 4 1HZ LYS 4 -10.029 -0.059 -8.892 28 3HZ LYS 4 3HZ LYS 4 -11.188 1.011 -8.267 29 H THR 5 HN THR 5 -6.024 0.103 -9.073 30 HA THR 5 HA THR 5 -3.308 0.895 -8.152 31 HB THR 5 HB THR 5 -5.143 2.301 -10.115 32 HG1 THR 5 HG1 THR 5 -4.478 0.199 -10.786 33 1HG2 THR 5 3HG2 THR 5 -3.123 3.444 -8.837 34 2HG2 THR 5 2HG2 THR 5 -2.162 2.565 -10.026 35 3HG2 THR 5 1HG2 THR 5 -3.374 3.731 -10.559 36 H PHE 6 HN PHE 6 -3.204 2.084 -6.329 37 HA PHE 6 HA PHE 6 -5.607 3.599 -5.446 38 1HB PHE 6 2HB PHE 6 -3.063 2.777 -4.021 39 2HB PHE 6 1HB PHE 6 -4.300 3.799 -3.291 40 HD1 PHE 6 1HD PHE 6 -3.698 0.455 -4.821 41 HD2 PHE 6 2HD PHE 6 -6.293 2.868 -2.393 42 HE1 PHE 6 1HE PHE 6 -5.006 -1.563 -4.213 43 HE2 PHE 6 2HE PHE 6 -7.598 0.850 -1.787 44 HZ PHE 6 HZ PHE 6 -6.958 -1.365 -2.695 45 H LYS 7 HN LYS 7 -5.220 5.808 -4.554 46 HA LYS 7 HA LYS 7 -3.096 7.216 -6.118 47 1HB LYS 7 2HB LYS 7 -5.707 7.692 -6.346 48 2HB LYS 7 1HB LYS 7 -5.411 8.682 -4.916 49 1HG LYS 7 2HG LYS 7 -5.113 10.071 -6.887 50 2HG LYS 7 1HG LYS 7 -3.538 9.803 -6.144 51 1HD LYS 7 2HD LYS 7 -2.772 8.918 -8.065 52 2HD LYS 7 1HD LYS 7 -3.997 7.654 -7.977 53 1HE LYS 7 2HE LYS 7 -4.747 8.582 -9.917 54 2HE LYS 7 1HE LYS 7 -5.501 9.761 -8.844 55 1HZ LYS 7 1HZ LYS 7 -3.222 10.928 -9.006 56 2HZ LYS 7 3HZ LYS 7 -3.019 9.998 -10.410 57 3HZ LYS 7 2HZ LYS 7 -4.322 11.083 -10.292 58 H VAL 8 HN VAL 8 -1.596 8.406 -5.002 59 HA VAL 8 HA VAL 8 -1.669 8.259 -2.052 60 HB VAL 8 HB VAL 8 0.482 9.437 -3.836 61 1HG1 VAL 8 2HG1 VAL 8 0.260 9.815 -1.221 62 2HG1 VAL 8 1HG1 VAL 8 0.921 8.180 -1.150 63 3HG1 VAL 8 3HG1 VAL 8 1.831 9.465 -1.945 64 1HG2 VAL 8 2HG2 VAL 8 -0.184 6.619 -3.078 65 2HG2 VAL 8 1HG2 VAL 8 0.521 7.240 -4.570 66 3HG2 VAL 8 3HG2 VAL 8 1.518 7.078 -3.124 67 H THR 9 HN THR 9 -2.908 9.841 -1.140 68 HA THR 9 HA THR 9 -2.505 12.639 -2.121 69 HB THR 9 HB THR 9 -5.016 11.768 -0.719 70 HG1 THR 9 HG1 THR 9 -4.508 11.604 -3.504 71 1HG2 THR 9 1HG2 THR 9 -4.047 14.041 -2.375 72 2HG2 THR 9 3HG2 THR 9 -5.731 13.564 -2.591 73 3HG2 THR 9 2HG2 THR 9 -5.148 14.040 -0.997 74 H ALA 10 HN ALA 10 -1.868 10.591 0.445 75 HA ALA 10 HA ALA 10 -2.574 12.162 2.720 76 1HB ALA 10 3HB ALA 10 -1.681 9.736 2.625 77 2HB ALA 10 2HB ALA 10 -0.079 10.471 2.558 78 3HB ALA 10 1HB ALA 10 -1.122 10.755 3.952 79 H ASP 11 HN ASP 11 -1.590 13.925 3.651 80 HA ASP 11 HA ASP 11 0.220 15.526 2.110 81 1HB ASP 11 2HB ASP 11 0.403 16.889 4.208 82 2HB ASP 11 1HB ASP 11 -1.264 16.563 3.734 83 H SER 12 HN SER 12 0.708 13.303 4.836 84 HA SER 12 HA SER 12 3.534 13.888 5.123 85 1HB SER 12 2HB SER 12 3.580 12.027 6.641 86 2HB SER 12 1HB SER 12 2.037 12.835 6.890 87 HG SER 12 HG SER 12 1.043 11.266 5.665 88 H GLY 13 HN GLY 13 1.630 11.651 3.195 89 1HA GLY 13 2HA GLY 13 2.438 10.696 1.130 90 2HA GLY 13 1HA GLY 13 4.092 10.925 1.702 91 H ILE 14 HN ILE 14 4.614 8.702 1.296 92 HA ILE 14 HA ILE 14 3.228 6.744 3.079 93 HB ILE 14 HB ILE 14 5.060 6.081 0.765 94 1HG1 ILE 14 2HG1 ILE 14 3.181 7.411 -0.112 95 2HG1 ILE 14 1HG1 ILE 14 3.005 5.724 -0.581 96 1HG2 ILE 14 3HG2 ILE 14 4.398 4.423 2.657 97 2HG2 ILE 14 2HG2 ILE 14 2.815 4.410 1.880 98 3HG2 ILE 14 1HG2 ILE 14 4.241 3.892 0.982 99 1HD1 ILE 14 3HD1 ILE 14 1.674 5.766 1.820 100 2HD1 ILE 14 2HD1 ILE 14 1.312 7.369 1.184 101 3HD1 ILE 14 1HD1 ILE 14 0.897 5.935 0.246 102 1HN HIP 15 HN HIP 15 4.520 7.484 4.911 103 HA HIP 15 HA HIP 15 7.405 6.828 4.726 104 1HB HIP 15 1HB HIP 15 6.828 9.073 5.607 105 2HB HIP 15 2HB HIP 15 7.702 8.105 6.774 106 HD2 HIP 15 2HD HIP 15 3.826 8.747 6.147 107 HE2 HIP 15 2HE HIP 15 2.772 8.964 8.508 108 HE1 HIP 15 1HE HIP 15 4.546 8.707 10.291 109 H ALA 16 HN ALA 16 7.576 6.359 7.672 110 HA ALA 16 HA ALA 16 7.162 3.515 7.581 111 1HB ALA 16 2HB ALA 16 8.800 5.108 9.004 112 2HB ALA 16 1HB ALA 16 7.557 4.806 10.219 113 3HB ALA 16 3HB ALA 16 8.416 3.453 9.478 114 H ARG 17 HN ARG 17 5.226 6.139 9.028 115 HA ARG 17 HA ARG 17 3.670 4.491 10.745 116 1HB ARG 17 2HB ARG 17 3.675 6.993 10.787 117 2HB ARG 17 1HB ARG 17 2.656 6.977 9.355 118 1HG ARG 17 2HG ARG 17 1.269 5.250 10.895 119 2HG ARG 17 1HG ARG 17 1.990 6.254 12.153 120 1HD ARG 17 2HD ARG 17 1.102 8.078 10.207 121 2HD ARG 17 1HD ARG 17 -0.187 6.880 10.332 122 HE ARG 17 HE ARG 17 -0.211 7.364 12.801 123 1HH1 ARG 17 HH11 ARG 17 2.387 9.107 11.934 124 2HH1 ARG 17 HH12 ARG 17 1.780 10.665 12.384 125 1HH2 ARG 17 HH21 ARG 17 -1.481 9.565 12.814 126 2HH2 ARG 17 HH22 ARG 17 -0.410 10.925 12.882 127 HA PRO 18 HA PRO 18 0.506 3.839 7.229 128 1HB PRO 18 2HB PRO 18 1.290 4.380 4.650 129 2HB PRO 18 1HB PRO 18 0.423 5.535 5.676 130 1HG PRO 18 2HG PRO 18 3.322 5.475 4.941 131 2HG PRO 18 1HG PRO 18 2.285 6.864 5.307 132 1HD PRO 18 2HD PRO 18 4.126 5.749 7.082 133 2HD PRO 18 1HD PRO 18 2.762 6.776 7.541 134 H ALA 19 HN ALA 19 3.926 3.282 6.696 135 HA ALA 19 HA ALA 19 3.629 0.923 5.039 136 1HB ALA 19 3HB ALA 19 5.731 2.487 5.538 137 2HB ALA 19 2HB ALA 19 6.015 1.294 6.804 138 3HB ALA 19 1HB ALA 19 5.938 0.787 5.116 139 H THR 20 HN THR 20 3.588 1.558 8.487 140 HA THR 20 HA THR 20 3.897 -1.259 9.225 141 HB THR 20 HB THR 20 2.774 0.799 11.092 142 HG1 THR 20 HG1 THR 20 5.503 0.606 10.353 143 1HG2 THR 20 2HG2 THR 20 3.493 -1.767 11.447 144 2HG2 THR 20 1HG2 THR 20 5.055 -1.000 11.728 145 3HG2 THR 20 3HG2 THR 20 3.664 -0.555 12.716 146 H VAL 21 HN VAL 21 1.282 0.996 8.609 147 HA VAL 21 HA VAL 21 -0.826 -0.604 9.788 148 HB VAL 21 HB VAL 21 -1.044 1.420 7.563 149 1HG1 VAL 21 2HG1 VAL 21 -3.016 -0.098 8.101 150 2HG1 VAL 21 1HG1 VAL 21 -3.063 0.668 9.688 151 3HG1 VAL 21 3HG1 VAL 21 -3.336 1.631 8.236 152 1HG2 VAL 21 3HG2 VAL 21 0.137 2.101 9.816 153 2HG2 VAL 21 2HG2 VAL 21 -1.115 3.146 9.148 154 3HG2 VAL 21 1HG2 VAL 21 -1.498 2.044 10.470 155 H LEU 22 HN LEU 22 0.554 -0.246 6.577 156 HA LEU 22 HA LEU 22 -1.293 -2.010 5.247 157 1HB LEU 22 2HB LEU 22 1.489 -1.066 4.520 158 2HB LEU 22 1HB LEU 22 0.404 -1.923 3.418 159 HG LEU 22 HG LEU 22 -0.280 0.689 4.809 160 1HD1 LEU 22 1HD1 LEU 22 0.962 0.043 2.143 161 2HD1 LEU 22 3HD1 LEU 22 -0.099 1.446 2.288 162 3HD1 LEU 22 2HD1 LEU 22 1.361 1.340 3.272 163 1HD2 LEU 22 3HD2 LEU 22 -1.672 -1.165 2.903 164 2HD2 LEU 22 2HD2 LEU 22 -2.332 -0.259 4.266 165 3HD2 LEU 22 1HD2 LEU 22 -1.963 0.569 2.752 166 H VAL 23 HN VAL 23 2.101 -2.459 6.322 167 HA VAL 23 HA VAL 23 2.380 -5.162 5.563 168 HB VAL 23 HB VAL 23 4.253 -3.753 6.371 169 1HG1 VAL 23 3HG1 VAL 23 2.933 -2.704 8.243 170 2HG1 VAL 23 2HG1 VAL 23 3.106 -4.214 9.138 171 3HG1 VAL 23 1HG1 VAL 23 4.535 -3.268 8.721 172 1HG2 VAL 23 2HG2 VAL 23 4.248 -6.323 6.469 173 2HG2 VAL 23 1HG2 VAL 23 5.441 -5.499 7.472 174 3HG2 VAL 23 3HG2 VAL 23 3.970 -6.144 8.201 175 H GLN 24 HN GLN 24 0.646 -3.777 8.269 176 HA GLN 24 HA GLN 24 0.394 -6.250 9.769 177 1HB GLN 24 2HB GLN 24 -0.979 -3.568 9.857 178 2HB GLN 24 1HB GLN 24 -1.559 -4.912 10.839 179 1HG GLN 24 2HG GLN 24 1.294 -4.767 11.113 180 2HG GLN 24 1HG GLN 24 0.632 -3.155 11.374 181 1HE2 GLN 24 1HE2 GLN 24 1.561 -5.700 13.152 182 2HE2 GLN 24 2HE2 GLN 24 0.404 -5.667 14.394 183 H THR 25 HN THR 25 -1.593 -4.568 7.352 184 HA THR 25 HA THR 25 -3.840 -6.385 7.581 185 HB THR 25 HB THR 25 -3.092 -4.622 5.232 186 HG1 THR 25 HG1 THR 25 -3.218 -3.367 7.064 187 1HG2 THR 25 3HG2 THR 25 -5.487 -6.196 6.049 188 2HG2 THR 25 2HG2 THR 25 -5.768 -4.623 5.302 189 3HG2 THR 25 1HG2 THR 25 -4.859 -5.862 4.435 190 H ALA 26 HN ALA 26 -1.526 -5.959 4.870 191 HA ALA 26 HA ALA 26 -2.210 -8.341 3.509 192 1HB ALA 26 3HB ALA 26 -0.575 -6.298 2.928 193 2HB ALA 26 2HB ALA 26 0.637 -7.468 3.446 194 3HB ALA 26 1HB ALA 26 -0.452 -7.856 2.116 195 H SER 27 HN SER 27 -0.342 -7.923 6.416 196 HA SER 27 HA SER 27 1.302 -10.246 6.308 197 1HB SER 27 2HB SER 27 0.249 -8.464 8.432 198 2HB SER 27 1HB SER 27 0.727 -10.075 8.959 199 HG SER 27 HG SER 27 2.755 -9.715 8.048 200 H LYS 28 HN LYS 28 -2.055 -9.805 7.378 201 HA LYS 28 HA LYS 28 -2.411 -12.538 8.249 202 1HB LYS 28 2HB LYS 28 -4.375 -10.359 7.495 203 2HB LYS 28 1HB LYS 28 -4.869 -11.936 8.110 204 1HG LYS 28 2HG LYS 28 -4.125 -11.495 10.234 205 2HG LYS 28 1HG LYS 28 -2.780 -10.504 9.669 206 1HD LYS 28 2HD LYS 28 -4.041 -8.585 9.599 207 2HD LYS 28 1HD LYS 28 -5.520 -9.449 9.177 208 1HE LYS 28 2HE LYS 28 -5.905 -8.743 11.396 209 2HE LYS 28 1HE LYS 28 -5.396 -10.422 11.574 210 1HZ LYS 28 3HZ LYS 28 -3.391 -8.269 11.626 211 2HZ LYS 28 2HZ LYS 28 -4.304 -8.602 13.019 212 3HZ LYS 28 1HZ LYS 28 -3.328 -9.810 12.332 213 H TYR 29 HN TYR 29 -2.507 -10.969 5.132 214 HA TYR 29 HA TYR 29 -3.999 -13.196 3.896 215 1HB TYR 29 2HB TYR 29 -2.748 -10.689 2.721 216 2HB TYR 29 1HB TYR 29 -3.623 -11.899 1.779 217 HD1 TYR 29 2HD TYR 29 -6.035 -12.308 2.172 218 HD2 TYR 29 1HD TYR 29 -3.917 -9.162 4.187 219 HE1 TYR 29 2HE TYR 29 -8.192 -11.265 2.810 220 HE2 TYR 29 1HE TYR 29 -6.074 -8.119 4.826 221 HH TYR 29 HH TYR 29 -8.802 -9.497 4.995 222 H ASP 30 HN ASP 30 -3.033 -14.911 2.944 223 HA ASP 30 HA ASP 30 -0.156 -15.253 3.128 224 1HB ASP 30 2HB ASP 30 -2.179 -16.945 1.630 225 2HB ASP 30 1HB ASP 30 -0.560 -17.437 2.125 226 H ALA 31 HN ALA 31 -2.369 -14.180 0.636 227 HA ALA 31 HA ALA 31 -0.787 -14.665 -1.676 228 1HB ALA 31 2HB ALA 31 -3.228 -13.644 -1.334 229 2HB ALA 31 1HB ALA 31 -2.347 -12.123 -1.478 230 3HB ALA 31 3HB ALA 31 -2.288 -13.303 -2.787 231 H ASP 32 HN ASP 32 0.814 -13.424 -2.699 232 HA ASP 32 HA ASP 32 2.309 -11.609 -0.917 233 1HB ASP 32 2HB ASP 32 2.929 -12.768 -3.648 234 2HB ASP 32 1HB ASP 32 4.014 -11.693 -2.765 235 H VAL 33 HN VAL 33 1.183 -9.661 -0.909 236 HA VAL 33 HA VAL 33 0.448 -8.413 -3.495 237 HB VAL 33 HB VAL 33 -0.678 -6.721 -2.116 238 1HG1 VAL 33 2HG1 VAL 33 -1.346 -9.450 -2.226 239 2HG1 VAL 33 1HG1 VAL 33 -1.598 -8.999 -0.539 240 3HG1 VAL 33 3HG1 VAL 33 -2.429 -8.118 -1.824 241 1HG2 VAL 33 3HG2 VAL 33 1.038 -6.690 -0.295 242 2HG2 VAL 33 2HG2 VAL 33 -0.607 -6.816 0.323 243 3HG2 VAL 33 1HG2 VAL 33 0.426 -8.244 0.266 244 H ASN 34 HN ASN 34 1.563 -6.640 -4.341 245 HA ASN 34 HA ASN 34 3.828 -5.573 -2.708 246 1HB ASN 34 2HB ASN 34 3.960 -6.249 -5.660 247 2HB ASN 34 1HB ASN 34 5.277 -5.634 -4.664 248 1HD2 ASN 34 2HD2 ASN 34 5.385 -9.433 -4.902 249 2HD2 ASN 34 1HD2 ASN 34 5.230 -8.232 -6.093 250 H LEU 35 HN LEU 35 4.218 -3.387 -2.939 251 HA LEU 35 HA LEU 35 2.222 -1.860 -4.546 252 1HB LEU 35 2HB LEU 35 2.395 -1.393 -2.090 253 2HB LEU 35 1HB LEU 35 4.066 -0.886 -2.340 254 HG LEU 35 HG LEU 35 2.040 0.368 -4.117 255 1HD1 LEU 35 2HD1 LEU 35 1.958 0.531 -1.154 256 2HD1 LEU 35 1HD1 LEU 35 1.892 2.073 -2.007 257 3HD1 LEU 35 3HD1 LEU 35 0.684 0.832 -2.334 258 1HD2 LEU 35 2HD2 LEU 35 4.681 0.756 -3.667 259 2HD2 LEU 35 1HD2 LEU 35 3.608 2.043 -4.215 260 3HD2 LEU 35 3HD2 LEU 35 4.017 1.902 -2.504 261 H GLU 36 HN GLU 36 2.956 -0.981 -6.431 262 HA GLU 36 HA GLU 36 5.891 -0.786 -6.858 263 1HB GLU 36 2HB GLU 36 4.247 -1.940 -8.495 264 2HB GLU 36 1HB GLU 36 3.777 -0.301 -8.952 265 1HG GLU 36 2HG GLU 36 5.938 0.225 -9.746 266 2HG GLU 36 1HG GLU 36 6.677 -1.130 -8.891 267 H TYR 37 HN TYR 37 6.851 1.170 -7.619 268 HA TYR 37 HA TYR 37 5.255 3.605 -7.865 269 1HB TYR 37 2HB TYR 37 5.435 3.357 -5.395 270 2HB TYR 37 1HB TYR 37 7.191 3.342 -5.543 271 HD1 TYR 37 1HD TYR 37 4.513 5.416 -7.168 272 HD2 TYR 37 2HD TYR 37 8.072 5.358 -4.765 273 HE1 TYR 37 1HE TYR 37 4.541 7.895 -7.154 274 HE2 TYR 37 2HE TYR 37 8.101 7.838 -4.752 275 HH TYR 37 HH TYR 37 7.042 9.698 -6.529 276 H ASN 38 HN ASN 38 6.227 4.517 -9.592 277 HA ASN 38 HA ASN 38 7.885 5.384 -10.993 278 1HB ASN 38 2HB ASN 38 9.044 5.497 -8.288 279 2HB ASN 38 1HB ASN 38 10.251 5.437 -9.572 280 1HD2 ASN 38 2HD2 ASN 38 9.815 8.942 -9.833 281 2HD2 ASN 38 1HD2 ASN 38 10.872 7.676 -9.428 282 H GLY 39 HN GLY 39 7.474 2.420 -10.688 283 1HA GLY 39 2HA GLY 39 8.411 0.702 -12.055 284 2HA GLY 39 1HA GLY 39 9.898 1.634 -12.156 285 H LYS 40 HN LYS 40 9.650 1.904 -9.049 286 HA LYS 40 HA LYS 40 11.205 -0.540 -8.498 287 1HB LYS 40 2HB LYS 40 10.731 2.068 -7.093 288 2HB LYS 40 1HB LYS 40 11.257 0.678 -6.143 289 1HG LYS 40 2HG LYS 40 13.304 1.596 -6.774 290 2HG LYS 40 1HG LYS 40 13.046 0.413 -8.056 291 1HD LYS 40 2HD LYS 40 11.860 3.097 -8.511 292 2HD LYS 40 1HD LYS 40 13.621 3.016 -8.543 293 1HE LYS 40 2HE LYS 40 12.198 0.868 -10.018 294 2HE LYS 40 1HE LYS 40 12.083 2.487 -10.708 295 1HZ LYS 40 3HZ LYS 40 14.690 1.445 -9.825 296 2HZ LYS 40 2HZ LYS 40 14.064 0.983 -11.336 297 3HZ LYS 40 1HZ LYS 40 14.349 2.624 -10.995 298 H THR 41 HN THR 41 10.043 -2.319 -7.974 299 HA THR 41 HA THR 41 7.443 -2.008 -6.582 300 HB THR 41 HB THR 41 8.615 -4.635 -7.467 301 HG1 THR 41 HG1 THR 41 7.935 -4.244 -9.510 302 1HG2 THR 41 3HG2 THR 41 6.520 -4.602 -6.159 303 2HG2 THR 41 2HG2 THR 41 5.797 -3.524 -7.353 304 3HG2 THR 41 1HG2 THR 41 6.237 -5.171 -7.804 305 H VAL 42 HN VAL 42 7.534 -2.005 -4.406 306 HA VAL 42 HA VAL 42 9.632 -3.648 -3.056 307 HB VAL 42 HB VAL 42 8.751 -2.268 -0.986 308 1HG1 VAL 42 3HG1 VAL 42 10.731 -1.668 -3.088 309 2HG1 VAL 42 2HG1 VAL 42 10.311 -0.302 -2.055 310 3HG1 VAL 42 1HG1 VAL 42 10.934 -1.789 -1.340 311 1HG2 VAL 42 1HG2 VAL 42 6.890 -1.203 -2.306 312 2HG2 VAL 42 3HG2 VAL 42 7.963 -0.037 -1.530 313 3HG2 VAL 42 2HG2 VAL 42 8.112 -0.359 -3.258 314 H ASN 43 HN ASN 43 9.011 -5.093 -1.407 315 HA ASN 43 HA ASN 43 6.417 -6.323 -1.752 316 1HB ASN 43 2HB ASN 43 8.621 -7.431 -0.986 317 2HB ASN 43 1HB ASN 43 8.251 -6.769 0.607 318 1HD2 ASN 43 2HD2 ASN 43 5.801 -9.703 -0.925 319 2HD2 ASN 43 1HD2 ASN 43 6.713 -8.747 -1.992 320 H LEU 44 HN LEU 44 4.562 -6.018 -0.551 321 HA LEU 44 HA LEU 44 4.136 -3.648 0.923 322 1HB LEU 44 2HB LEU 44 2.426 -5.291 -0.097 323 2HB LEU 44 1HB LEU 44 2.590 -6.207 1.396 324 HG LEU 44 HG LEU 44 0.643 -4.606 1.359 325 1HD1 LEU 44 1HD1 LEU 44 2.332 -5.272 3.417 326 2HD1 LEU 44 3HD1 LEU 44 2.287 -3.511 3.533 327 3HD1 LEU 44 2HD1 LEU 44 0.789 -4.440 3.600 328 1HD2 LEU 44 3HD2 LEU 44 1.934 -2.793 0.115 329 2HD2 LEU 44 2HD2 LEU 44 0.990 -2.237 1.498 330 3HD2 LEU 44 1HD2 LEU 44 2.736 -2.434 1.644 331 H LYS 45 HN LYS 45 5.497 -6.698 1.931 332 HA LYS 45 HA LYS 45 5.299 -6.004 4.801 333 1HB LYS 45 2HB LYS 45 6.698 -8.353 3.477 334 2HB LYS 45 1HB LYS 45 6.326 -8.183 5.192 335 1HG LYS 45 2HG LYS 45 4.078 -8.614 4.890 336 2HG LYS 45 1HG LYS 45 4.063 -7.964 3.252 337 1HD LYS 45 2HD LYS 45 5.752 -10.075 2.925 338 2HD LYS 45 1HD LYS 45 4.695 -10.702 4.190 339 1HE LYS 45 2HE LYS 45 2.820 -10.664 2.838 340 2HE LYS 45 1HE LYS 45 3.426 -9.327 1.860 341 1HZ LYS 45 1HZ LYS 45 5.212 -11.055 1.175 342 2HZ LYS 45 3HZ LYS 45 4.060 -12.191 1.685 343 3HZ LYS 45 2HZ LYS 45 3.678 -11.094 0.445 344 H SER 46 HN SER 46 6.638 -4.004 3.724 345 HA SER 46 HA SER 46 9.404 -4.383 4.669 346 1HB SER 46 2HB SER 46 9.089 -4.739 2.032 347 2HB SER 46 1HB SER 46 9.116 -2.978 2.037 348 HG SER 46 HG SER 46 11.051 -4.652 3.276 349 H ILE 47 HN ILE 47 8.640 -2.976 6.339 350 HA ILE 47 HA ILE 47 7.359 -0.473 5.904 351 HB ILE 47 HB ILE 47 9.238 -1.166 8.177 352 1HG1 ILE 47 2HG1 ILE 47 6.294 -1.785 7.723 353 2HG1 ILE 47 1HG1 ILE 47 7.594 -2.943 7.971 354 1HG2 ILE 47 1HG2 ILE 47 8.163 1.242 7.623 355 2HG2 ILE 47 3HG2 ILE 47 6.795 0.524 8.473 356 3HG2 ILE 47 2HG2 ILE 47 8.359 0.661 9.275 357 1HD1 ILE 47 2HD1 ILE 47 7.787 -1.328 10.214 358 2HD1 ILE 47 1HD1 ILE 47 6.046 -1.449 9.957 359 3HD1 ILE 47 3HD1 ILE 47 7.011 -2.912 10.154 360 H MET 48 HN MET 48 10.812 -1.024 6.716 361 HA MET 48 HA MET 48 11.597 1.657 6.028 362 1HB MET 48 2HB MET 48 12.830 -0.228 7.420 363 2HB MET 48 1HB MET 48 13.528 -0.629 5.850 364 1HG MET 48 2HG MET 48 14.708 1.340 5.712 365 2HG MET 48 1HG MET 48 13.497 2.251 6.613 366 1HE MET 48 3HE MET 48 16.792 1.209 6.457 367 2HE MET 48 2HE MET 48 17.362 0.586 8.003 368 3HE MET 48 1HE MET 48 16.418 -0.451 6.938 369 H GLY 49 HN GLY 49 11.181 -1.277 4.160 370 1HA GLY 49 2HA GLY 49 12.740 -0.487 1.872 371 2HA GLY 49 1HA GLY 49 11.482 -1.721 1.876 372 H VAL 50 HN VAL 50 9.512 0.312 2.966 373 HA VAL 50 HA VAL 50 8.728 1.394 0.337 374 HB VAL 50 HB VAL 50 7.307 1.557 3.015 375 1HG1 VAL 50 1HG1 VAL 50 6.641 2.374 0.214 376 2HG1 VAL 50 3HG1 VAL 50 5.345 1.727 1.220 377 3HG1 VAL 50 2HG1 VAL 50 6.231 3.160 1.739 378 1HG2 VAL 50 2HG2 VAL 50 7.838 -0.738 1.623 379 2HG2 VAL 50 1HG2 VAL 50 6.407 -0.506 2.625 380 3HG2 VAL 50 3HG2 VAL 50 6.316 -0.246 0.883 381 H VAL 51 HN VAL 51 9.868 2.544 3.469 382 HA VAL 51 HA VAL 51 9.349 5.346 2.953 383 HB VAL 51 HB VAL 51 11.379 4.125 4.847 384 1HG1 VAL 51 1HG1 VAL 51 9.992 6.819 4.726 385 2HG1 VAL 51 3HG1 VAL 51 10.946 6.260 6.100 386 3HG1 VAL 51 2HG1 VAL 51 11.718 6.508 4.534 387 1HG2 VAL 51 1HG2 VAL 51 8.415 4.342 4.921 388 2HG2 VAL 51 3HG2 VAL 51 9.478 3.188 5.725 389 3HG2 VAL 51 2HG2 VAL 51 9.259 4.802 6.399 390 H SER 52 HN SER 52 11.898 3.137 2.047 391 HA SER 52 HA SER 52 14.030 4.965 1.619 392 1HB SER 52 2HB SER 52 15.003 3.278 0.239 393 2HB SER 52 1HB SER 52 14.085 2.411 1.466 394 HG SER 52 HG SER 52 12.339 2.399 -0.115 395 H LEU 53 HN LEU 53 11.291 4.069 -0.464 396 HA LEU 53 HA LEU 53 12.140 5.524 -2.781 397 1HB LEU 53 2HB LEU 53 9.385 4.741 -1.790 398 2HB LEU 53 1HB LEU 53 9.671 5.500 -3.356 399 HG LEU 53 HG LEU 53 11.518 3.490 -3.425 400 1HD1 LEU 53 3HD1 LEU 53 9.377 2.742 -1.502 401 2HD1 LEU 53 2HD1 LEU 53 9.812 1.523 -2.699 402 3HD1 LEU 53 1HD1 LEU 53 11.041 2.170 -1.612 403 1HD2 LEU 53 2HD2 LEU 53 9.655 4.174 -5.063 404 2HD2 LEU 53 1HD2 LEU 53 10.084 2.464 -5.024 405 3HD2 LEU 53 3HD2 LEU 53 8.632 3.028 -4.198 406 H GLY 54 HN GLY 54 10.406 6.463 0.141 407 1HA GLY 54 2HA GLY 54 9.997 8.600 1.024 408 2HA GLY 54 1HA GLY 54 11.077 9.246 -0.212 409 H ILE 55 HN ILE 55 7.851 7.679 -0.118 410 HA ILE 55 HA ILE 55 6.947 9.179 -2.445 411 HB ILE 55 HB ILE 55 5.261 7.650 -0.439 412 1HG1 ILE 55 2HG1 ILE 55 6.570 6.652 -2.992 413 2HG1 ILE 55 1HG1 ILE 55 7.142 6.279 -1.367 414 1HG2 ILE 55 2HG2 ILE 55 4.857 8.731 -3.218 415 2HG2 ILE 55 1HG2 ILE 55 3.946 7.321 -2.679 416 3HG2 ILE 55 3HG2 ILE 55 3.794 8.852 -1.816 417 1HD1 ILE 55 3HD1 ILE 55 4.280 5.728 -2.111 418 2HD1 ILE 55 2HD1 ILE 55 5.545 4.589 -2.569 419 3HD1 ILE 55 1HD1 ILE 55 5.270 4.963 -0.868 420 H ALA 56 HN ALA 56 5.275 10.804 -2.420 421 HA ALA 56 HA ALA 56 4.723 12.079 0.206 422 1HB ALA 56 2HB ALA 56 6.480 13.120 -1.896 423 2HB ALA 56 1HB ALA 56 5.206 14.256 -1.448 424 3HB ALA 56 3HB ALA 56 6.311 13.638 -0.220 425 H LYS 57 HN LYS 57 3.232 14.145 -0.382 426 HA LYS 57 HA LYS 57 0.802 13.097 -1.451 427 1HB LYS 57 2HB LYS 57 1.336 15.201 0.093 428 2HB LYS 57 1HB LYS 57 1.264 16.033 -1.458 429 1HG LYS 57 2HG LYS 57 -0.943 14.540 -1.719 430 2HG LYS 57 1HG LYS 57 -0.902 14.645 0.042 431 1HD LYS 57 2HD LYS 57 -2.181 16.525 -0.666 432 2HD LYS 57 1HD LYS 57 -0.589 17.170 -0.267 433 1HE LYS 57 2HE LYS 57 -0.032 16.788 -2.768 434 2HE LYS 57 1HE LYS 57 -1.777 16.657 -2.991 435 1HZ LYS 57 1HZ LYS 57 -0.677 18.929 -1.487 436 2HZ LYS 57 3HZ LYS 57 -0.617 18.951 -3.182 437 3HZ LYS 57 2HZ LYS 57 -2.113 18.827 -2.387 438 H GLY 58 HN GLY 58 -0.036 13.125 -3.505 439 1HA GLY 58 2HA GLY 58 -0.274 13.889 -5.765 440 2HA GLY 58 1HA GLY 58 1.206 14.831 -5.577 441 H ALA 59 HN ALA 59 0.347 11.364 -5.262 442 HA ALA 59 HA ALA 59 2.370 10.718 -7.330 443 1HB ALA 59 3HB ALA 59 2.576 10.064 -4.431 444 2HB ALA 59 2HB ALA 59 3.017 8.790 -5.568 445 3HB ALA 59 1HB ALA 59 3.854 10.342 -5.614 446 H GLU 60 HN GLU 60 2.341 8.098 -7.451 447 HA GLU 60 HA GLU 60 -0.481 7.167 -7.185 448 1HB GLU 60 2HB GLU 60 1.219 6.767 -9.665 449 2HB GLU 60 1HB GLU 60 -0.458 6.270 -9.442 450 1HG GLU 60 2HG GLU 60 -0.818 8.266 -10.541 451 2HG GLU 60 1HG GLU 60 -0.755 8.869 -8.884 452 H ILE 61 HN ILE 61 -0.639 4.779 -7.261 453 HA ILE 61 HA ILE 61 1.890 3.279 -6.980 454 HB ILE 61 HB ILE 61 1.107 2.289 -4.795 455 1HG1 ILE 61 2HG1 ILE 61 -0.803 4.652 -4.868 456 2HG1 ILE 61 1HG1 ILE 61 -1.279 2.963 -5.039 457 1HG2 ILE 61 1HG2 ILE 61 2.829 4.100 -4.964 458 2HG2 ILE 61 3HG2 ILE 61 1.545 5.291 -4.755 459 3HG2 ILE 61 2HG2 ILE 61 1.916 4.156 -3.456 460 1HD1 ILE 61 1HD1 ILE 61 0.225 2.902 -2.730 461 2HD1 ILE 61 3HD1 ILE 61 -0.568 4.473 -2.615 462 3HD1 ILE 61 2HD1 ILE 61 -1.534 3.008 -2.781 463 H THR 62 HN THR 62 1.643 1.155 -7.630 464 HA THR 62 HA THR 62 -1.140 0.299 -8.326 465 HB THR 62 HB THR 62 1.277 -0.888 -9.645 466 HG1 THR 62 HG1 THR 62 1.790 1.032 -10.307 467 1HG2 THR 62 1HG2 THR 62 -1.352 -1.397 -9.885 468 2HG2 THR 62 3HG2 THR 62 -1.214 -0.094 -11.066 469 3HG2 THR 62 2HG2 THR 62 -0.233 -1.550 -11.241 470 H ILE 63 HN ILE 63 -1.743 -1.055 -6.692 471 HA ILE 63 HA ILE 63 0.220 -2.946 -5.538 472 HB ILE 63 HB ILE 63 -2.653 -2.274 -4.822 473 1HG1 ILE 63 2HG1 ILE 63 -0.045 -1.749 -3.366 474 2HG1 ILE 63 1HG1 ILE 63 -0.896 -0.555 -4.347 475 1HG2 ILE 63 3HG2 ILE 63 -0.730 -4.310 -3.699 476 2HG2 ILE 63 2HG2 ILE 63 -1.972 -3.582 -2.679 477 3HG2 ILE 63 1HG2 ILE 63 -2.435 -4.509 -4.107 478 1HD1 ILE 63 1HD1 ILE 63 -2.940 -1.285 -2.789 479 2HD1 ILE 63 3HD1 ILE 63 -1.627 -1.691 -1.684 480 3HD1 ILE 63 2HD1 ILE 63 -1.794 -0.041 -2.285 481 H SER 64 HN SER 64 -0.080 -5.226 -5.635 482 HA SER 64 HA SER 64 -2.284 -6.297 -7.282 483 1HB SER 64 2HB SER 64 -0.500 -7.606 -8.632 484 2HB SER 64 1HB SER 64 -0.785 -5.923 -9.065 485 HG SER 64 HG SER 64 1.031 -5.352 -7.879 486 H ALA 65 HN ALA 65 -3.023 -7.884 -5.966 487 HA ALA 65 HA ALA 65 -1.154 -9.344 -4.199 488 1HB ALA 65 2HB ALA 65 -3.470 -8.487 -3.489 489 2HB ALA 65 1HB ALA 65 -4.132 -9.795 -4.467 490 3HB ALA 65 3HB ALA 65 -3.097 -10.162 -3.088 491 H SER 66 HN SER 66 -0.495 -11.439 -4.601 492 HA SER 66 HA SER 66 -1.873 -12.945 -6.778 493 1HB SER 66 2HB SER 66 0.757 -11.825 -6.896 494 2HB SER 66 1HB SER 66 0.915 -13.577 -6.850 495 HG SER 66 HG SER 66 -0.373 -13.729 -8.637 496 H GLY 67 HN GLY 67 -2.756 -14.585 -5.568 497 1HA GLY 67 2HA GLY 67 -1.212 -16.731 -4.603 498 2HA GLY 67 1HA GLY 67 -1.541 -15.700 -3.210 499 H ALA 68 HN ALA 68 -2.976 -17.120 -2.175 500 HA ALA 68 HA ALA 68 -5.257 -18.261 -3.618 501 1HB ALA 68 3HB ALA 68 -4.144 -18.418 -0.860 502 2HB ALA 68 2HB ALA 68 -5.874 -18.710 -1.037 503 3HB ALA 68 1HB ALA 68 -4.717 -19.708 -1.916 504 H ASP 69 HN ASP 69 -4.996 -16.050 -0.807 505 HA ASP 69 HA ASP 69 -7.702 -15.011 -1.456 506 1HB ASP 69 2HB ASP 69 -7.461 -13.829 0.760 507 2HB ASP 69 1HB ASP 69 -7.385 -15.587 0.873 508 H GLU 70 HN GLU 70 -5.689 -14.311 -3.285 509 HA GLU 70 HA GLU 70 -4.409 -11.816 -2.756 510 1HB GLU 70 2HB GLU 70 -4.393 -11.592 -5.285 511 2HB GLU 70 1HB GLU 70 -3.692 -13.085 -4.667 512 1HG GLU 70 2HG GLU 70 -5.614 -14.357 -5.257 513 2HG GLU 70 1HG GLU 70 -6.595 -12.910 -5.491 514 H ASN 71 HN ASN 71 -7.668 -12.611 -3.834 515 HA ASN 71 HA ASN 71 -8.397 -9.903 -4.560 516 1HB ASN 71 2HB ASN 71 -10.085 -12.313 -3.820 517 2HB ASN 71 1HB ASN 71 -10.739 -10.797 -4.439 518 1HD2 ASN 71 2HD2 ASN 71 -10.423 -12.558 -7.560 519 2HD2 ASN 71 1HD2 ASN 71 -11.511 -12.227 -6.300 520 H ASP 72 HN ASP 72 -9.056 -11.924 -1.687 521 HA ASP 72 HA ASP 72 -10.429 -9.923 -0.196 522 1HB ASP 72 2HB ASP 72 -8.755 -12.246 0.794 523 2HB ASP 72 1HB ASP 72 -9.898 -11.325 1.772 524 H ALA 73 HN ALA 73 -7.038 -10.339 -0.864 525 HA ALA 73 HA ALA 73 -6.106 -8.801 1.425 526 1HB ALA 73 2HB ALA 73 -4.769 -9.759 -1.107 527 2HB ALA 73 1HB ALA 73 -3.926 -8.811 0.119 528 3HB ALA 73 3HB ALA 73 -4.581 -10.397 0.527 529 H LEU 74 HN LEU 74 -6.269 -8.065 -2.105 530 HA LEU 74 HA LEU 74 -5.297 -5.424 -1.894 531 1HB LEU 74 2HB LEU 74 -6.298 -4.988 -4.063 532 2HB LEU 74 1HB LEU 74 -5.626 -6.614 -4.046 533 HG LEU 74 HG LEU 74 -8.078 -7.253 -3.279 534 1HD1 LEU 74 2HD1 LEU 74 -8.393 -4.514 -3.694 535 2HD1 LEU 74 1HD1 LEU 74 -9.032 -5.232 -5.172 536 3HD1 LEU 74 3HD1 LEU 74 -9.695 -5.700 -3.607 537 1HD2 LEU 74 3HD2 LEU 74 -7.051 -6.672 -6.052 538 2HD2 LEU 74 2HD2 LEU 74 -7.183 -8.229 -5.237 539 3HD2 LEU 74 1HD2 LEU 74 -8.635 -7.404 -5.800 540 H ASN 75 HN ASN 75 -8.675 -6.557 -1.566 541 HA ASN 75 HA ASN 75 -9.690 -3.860 -1.208 542 1HB ASN 75 2HB ASN 75 -11.768 -4.958 -0.418 543 2HB ASN 75 1HB ASN 75 -11.208 -5.631 -1.945 544 1HD2 ASN 75 2HD2 ASN 75 -10.923 -7.940 1.447 545 2HD2 ASN 75 1HD2 ASN 75 -11.009 -6.253 1.606 546 H ALA 76 HN ALA 76 -8.272 -6.271 0.900 547 HA ALA 76 HA ALA 76 -9.203 -5.294 3.414 548 1HB ALA 76 1HB ALA 76 -7.777 -7.408 2.844 549 2HB ALA 76 3HB ALA 76 -6.399 -6.324 3.026 550 3HB ALA 76 2HB ALA 76 -7.497 -6.590 4.380 551 H LEU 77 HN LEU 77 -6.028 -4.637 1.862 552 HA LEU 77 HA LEU 77 -5.328 -2.483 3.588 553 1HB LEU 77 2HB LEU 77 -4.506 -2.866 0.696 554 2HB LEU 77 1HB LEU 77 -3.649 -1.924 1.916 555 HG LEU 77 HG LEU 77 -4.049 -4.520 3.024 556 1HD1 LEU 77 1HD1 LEU 77 -4.328 -5.002 0.453 557 2HD1 LEU 77 3HD1 LEU 77 -2.576 -4.804 0.425 558 3HD1 LEU 77 2HD1 LEU 77 -3.306 -6.051 1.436 559 1HD2 LEU 77 1HD2 LEU 77 -1.702 -2.939 1.988 560 2HD2 LEU 77 3HD2 LEU 77 -2.149 -3.282 3.658 561 3HD2 LEU 77 2HD2 LEU 77 -1.482 -4.559 2.644 562 H GLU 78 HN GLU 78 -7.436 -2.617 0.790 563 HA GLU 78 HA GLU 78 -7.441 0.142 0.073 564 1HB GLU 78 2HB GLU 78 -8.500 -1.634 -1.290 565 2HB GLU 78 1HB GLU 78 -9.729 -1.851 -0.047 566 1HG GLU 78 2HG GLU 78 -10.870 0.020 -0.665 567 2HG GLU 78 1HG GLU 78 -9.396 0.940 -0.957 568 H GLU 79 HN GLU 79 -9.719 -1.596 2.263 569 HA GLU 79 HA GLU 79 -11.096 0.761 3.097 570 1HB GLU 79 2HB GLU 79 -11.904 -0.599 4.994 571 2HB GLU 79 1HB GLU 79 -12.015 -1.487 3.478 572 1HG GLU 79 2HG GLU 79 -10.548 -3.067 4.168 573 2HG GLU 79 1HG GLU 79 -9.436 -1.867 4.816 574 H THR 80 HN THR 80 -8.041 -0.626 4.107 575 HA THR 80 HA THR 80 -7.806 0.827 6.596 576 HB THR 80 HB THR 80 -5.590 -0.162 4.769 577 HG1 THR 80 HG1 THR 80 -6.830 -1.455 6.964 578 1HG2 THR 80 3HG2 THR 80 -5.337 1.458 6.921 579 2HG2 THR 80 2HG2 THR 80 -5.329 -0.111 7.724 580 3HG2 THR 80 1HG2 THR 80 -4.132 0.248 6.480 581 H MET 81 HN MET 81 -7.063 1.510 3.231 582 HA MET 81 HA MET 81 -5.628 3.977 3.706 583 1HB MET 81 2HB MET 81 -7.013 2.795 1.287 584 2HB MET 81 1HB MET 81 -6.186 4.348 1.235 585 1HG MET 81 2HG MET 81 -4.636 2.130 2.446 586 2HG MET 81 1HG MET 81 -4.964 1.966 0.722 587 1HE MET 81 2HE MET 81 -2.799 1.712 0.480 588 2HE MET 81 1HE MET 81 -2.028 3.006 -0.433 589 3HE MET 81 3HE MET 81 -1.511 2.657 1.222 590 H LYS 82 HN LYS 82 -8.995 3.071 3.268 591 HA LYS 82 HA LYS 82 -9.865 5.892 3.169 592 1HB LYS 82 2HB LYS 82 -11.467 3.316 3.148 593 2HB LYS 82 1HB LYS 82 -12.116 4.934 2.865 594 1HG LYS 82 2HG LYS 82 -10.559 5.172 0.924 595 2HG LYS 82 1HG LYS 82 -10.043 3.504 1.175 596 1HD LYS 82 2HD LYS 82 -12.053 2.624 0.448 597 2HD LYS 82 1HD LYS 82 -12.975 4.044 0.944 598 1HE LYS 82 2HE LYS 82 -11.762 5.313 -0.909 599 2HE LYS 82 1HE LYS 82 -11.201 3.744 -1.488 600 1HZ LYS 82 1HZ LYS 82 -13.680 3.122 -1.357 601 2HZ LYS 82 3HZ LYS 82 -13.949 4.797 -1.362 602 3HZ LYS 82 2HZ LYS 82 -13.140 4.064 -2.664 603 H SER 83 HN SER 83 -9.116 3.663 5.606 604 HA SER 83 HA SER 83 -11.252 4.359 7.462 605 1HB SER 83 2HB SER 83 -10.060 3.017 9.051 606 2HB SER 83 1HB SER 83 -9.898 2.203 7.497 607 HG SER 83 HG SER 83 -7.872 2.311 8.349 608 H GLU 84 HN GLU 84 -7.773 5.172 7.225 609 HA GLU 84 HA GLU 84 -8.202 7.358 9.195 610 1HB GLU 84 2HB GLU 84 -5.822 5.861 8.168 611 2HB GLU 84 1HB GLU 84 -5.582 7.507 8.756 612 1HG GLU 84 2HG GLU 84 -5.360 6.419 10.766 613 2HG GLU 84 1HG GLU 84 -7.119 6.561 10.756 614 H GLY 85 HN GLY 85 -6.479 6.957 6.077 615 1HA GLY 85 2HA GLY 85 -7.489 8.653 4.334 616 2HA GLY 85 1HA GLY 85 -6.960 9.843 5.526 617 H LEU 86 HN LEU 86 -5.676 7.050 3.701 618 HA LEU 86 HA LEU 86 -3.029 8.433 3.641 619 1HB LEU 86 2HB LEU 86 -3.757 5.515 3.282 620 2HB LEU 86 1HB LEU 86 -2.131 6.164 3.066 621 HG LEU 86 HG LEU 86 -3.756 6.414 5.614 622 1HD1 LEU 86 1HD1 LEU 86 -1.761 4.406 4.639 623 2HD1 LEU 86 3HD1 LEU 86 -1.755 4.842 6.348 624 3HD1 LEU 86 2HD1 LEU 86 -3.208 4.161 5.617 625 1HD2 LEU 86 2HD2 LEU 86 -0.916 7.141 4.845 626 2HD2 LEU 86 1HD2 LEU 86 -2.177 8.220 5.443 627 3HD2 LEU 86 3HD2 LEU 86 -1.454 7.025 6.521 628 H GLY 87 HN GLY 87 -5.195 6.446 1.596 629 1HA GLY 87 2HA GLY 87 -4.580 8.174 -0.710 630 2HA GLY 87 1HA GLY 87 -4.065 6.493 -0.866 631 H GLU 88 HN GLU 88 -6.105 7.846 -2.457 632 HA GLU 88 HA GLU 88 -8.336 5.960 -1.934 633 1HB GLU 88 2HB GLU 88 -9.981 7.804 -2.374 634 2HB GLU 88 1HB GLU 88 -9.086 8.010 -0.868 635 1HG GLU 88 2HG GLU 88 -7.587 9.606 -1.912 636 2HG GLU 88 1HG GLU 88 -8.308 9.309 -3.494 No H/Q in entry = 636 Start of MODEL 6 1 1H ALA 2 3HT ALA 2 -4.115 -10.169 -9.703 2 2H ALA 2 2HT ALA 2 -5.468 -11.176 -9.504 3 3H ALA 2 1HT ALA 2 -5.575 -9.788 -10.477 4 HA ALA 2 HA ALA 2 -6.587 -9.051 -8.574 5 1HB ALA 2 2HB ALA 2 -4.904 -11.143 -7.383 6 2HB ALA 2 1HB ALA 2 -5.054 -9.709 -6.369 7 3HB ALA 2 3HB ALA 2 -6.498 -10.570 -6.897 8 H GLN 3 HN GLN 3 -6.146 -6.918 -8.570 9 HA GLN 3 HA GLN 3 -3.875 -5.770 -7.280 10 1HB GLN 3 2HB GLN 3 -2.785 -4.779 -9.332 11 2HB GLN 3 1HB GLN 3 -2.559 -6.517 -9.162 12 1HG GLN 3 2HG GLN 3 -4.548 -6.847 -10.680 13 2HG GLN 3 1HG GLN 3 -4.543 -5.106 -10.962 14 1HE2 GLN 3 2HE2 GLN 3 -1.958 -7.428 -12.990 15 2HE2 GLN 3 1HE2 GLN 3 -3.202 -8.068 -12.028 16 H LYS 4 HN LYS 4 -4.029 -3.463 -7.229 17 HA LYS 4 HA LYS 4 -6.249 -2.218 -8.756 18 1HB LYS 4 2HB LYS 4 -7.221 -3.072 -6.608 19 2HB LYS 4 1HB LYS 4 -6.083 -2.048 -5.733 20 1HG LYS 4 2HG LYS 4 -7.071 -0.057 -6.542 21 2HG LYS 4 1HG LYS 4 -7.921 -0.903 -7.836 22 1HD LYS 4 2HD LYS 4 -8.521 -1.732 -5.033 23 2HD LYS 4 1HD LYS 4 -9.160 -0.179 -5.573 24 1HE LYS 4 2HE LYS 4 -10.467 -1.152 -7.252 25 2HE LYS 4 1HE LYS 4 -9.481 -2.613 -7.309 26 1HZ LYS 4 2HZ LYS 4 -11.119 -1.841 -4.962 27 2HZ LYS 4 1HZ LYS 4 -11.681 -2.867 -6.194 28 3HZ LYS 4 3HZ LYS 4 -10.353 -3.330 -5.245 29 H THR 5 HN THR 5 -6.019 0.058 -8.945 30 HA THR 5 HA THR 5 -3.286 1.038 -8.398 31 HB THR 5 HB THR 5 -5.523 2.562 -9.746 32 HG1 THR 5 HG1 THR 5 -3.652 0.803 -10.945 33 1HG2 THR 5 3HG2 THR 5 -2.510 2.689 -9.708 34 2HG2 THR 5 2HG2 THR 5 -3.446 3.436 -11.003 35 3HG2 THR 5 1HG2 THR 5 -3.667 3.967 -9.336 36 H PHE 6 HN PHE 6 -2.820 2.488 -6.789 37 HA PHE 6 HA PHE 6 -5.137 3.616 -5.268 38 1HB PHE 6 2HB PHE 6 -2.426 2.660 -4.329 39 2HB PHE 6 1HB PHE 6 -3.487 3.647 -3.324 40 HD1 PHE 6 1HD PHE 6 -3.240 0.424 -5.169 41 HD2 PHE 6 2HD PHE 6 -5.394 2.717 -2.244 42 HE1 PHE 6 1HE PHE 6 -4.535 -1.596 -4.538 43 HE2 PHE 6 2HE PHE 6 -6.683 0.698 -1.620 44 HZ PHE 6 HZ PHE 6 -6.261 -1.458 -2.759 45 H LYS 7 HN LYS 7 -4.961 5.778 -4.554 46 HA LYS 7 HA LYS 7 -2.829 7.362 -5.929 47 1HB LYS 7 2HB LYS 7 -5.725 7.869 -5.365 48 2HB LYS 7 1HB LYS 7 -4.627 9.249 -5.409 49 1HG LYS 7 2HG LYS 7 -4.423 7.248 -7.615 50 2HG LYS 7 1HG LYS 7 -5.807 8.343 -7.626 51 1HD LYS 7 2HD LYS 7 -3.055 9.453 -7.165 52 2HD LYS 7 1HD LYS 7 -3.569 9.066 -8.808 53 1HE LYS 7 2HE LYS 7 -5.294 10.729 -6.975 54 2HE LYS 7 1HE LYS 7 -4.030 11.461 -7.963 55 1HZ LYS 7 1HZ LYS 7 -5.134 10.133 -9.854 56 2HZ LYS 7 3HZ LYS 7 -6.478 10.067 -8.822 57 3HZ LYS 7 2HZ LYS 7 -5.867 11.571 -9.324 58 H VAL 8 HN VAL 8 -1.298 8.023 -4.515 59 HA VAL 8 HA VAL 8 -1.671 8.007 -1.656 60 HB VAL 8 HB VAL 8 0.495 9.513 -3.145 61 1HG1 VAL 8 2HG1 VAL 8 0.268 9.778 -0.660 62 2HG1 VAL 8 1HG1 VAL 8 0.503 8.038 -0.496 63 3HG1 VAL 8 3HG1 VAL 8 1.796 9.046 -1.146 64 1HG2 VAL 8 1HG2 VAL 8 0.170 6.553 -2.621 65 2HG2 VAL 8 3HG2 VAL 8 0.582 7.353 -4.137 66 3HG2 VAL 8 2HG2 VAL 8 1.763 7.283 -2.828 67 H THR 9 HN THR 9 -3.039 9.438 -0.711 68 HA THR 9 HA THR 9 -2.948 12.280 -1.640 69 HB THR 9 HB THR 9 -5.265 11.164 -0.096 70 HG1 THR 9 HG1 THR 9 -6.134 10.347 -1.926 71 1HG2 THR 9 1HG2 THR 9 -4.738 13.646 -0.926 72 2HG2 THR 9 3HG2 THR 9 -5.454 13.031 -2.416 73 3HG2 THR 9 2HG2 THR 9 -6.382 13.006 -0.916 74 H ALA 10 HN ALA 10 -2.169 10.213 0.952 75 HA ALA 10 HA ALA 10 -2.818 11.822 3.213 76 1HB ALA 10 2HB ALA 10 -1.880 9.399 3.106 77 2HB ALA 10 1HB ALA 10 -0.298 10.175 3.042 78 3HB ALA 10 3HB ALA 10 -1.353 10.436 4.432 79 H ASP 11 HN ASP 11 -1.713 13.510 4.216 80 HA ASP 11 HA ASP 11 -0.095 15.230 2.604 81 1HB ASP 11 2HB ASP 11 0.341 16.433 4.766 82 2HB ASP 11 1HB ASP 11 -1.370 16.134 4.465 83 H SER 12 HN SER 12 0.739 12.866 5.123 84 HA SER 12 HA SER 12 3.585 13.450 5.022 85 1HB SER 12 2HB SER 12 3.810 11.425 6.409 86 2HB SER 12 1HB SER 12 2.523 12.458 7.024 87 HG SER 12 HG SER 12 1.024 11.109 6.105 88 H GLY 13 HN GLY 13 1.401 11.260 3.355 89 1HA GLY 13 2HA GLY 13 1.939 10.381 1.155 90 2HA GLY 13 1HA GLY 13 3.651 10.480 1.570 91 H ILE 14 HN ILE 14 4.129 8.295 1.176 92 HA ILE 14 HA ILE 14 2.733 6.326 2.945 93 HB ILE 14 HB ILE 14 4.265 5.743 0.394 94 1HG1 ILE 14 2HG1 ILE 14 1.262 5.860 0.811 95 2HG1 ILE 14 1HG1 ILE 14 2.201 7.128 0.022 96 1HG2 ILE 14 1HG2 ILE 14 2.870 4.136 2.459 97 2HG2 ILE 14 3HG2 ILE 14 2.542 3.679 0.789 98 3HG2 ILE 14 2HG2 ILE 14 4.199 3.688 1.391 99 1HD1 ILE 14 3HD1 ILE 14 2.489 4.304 -0.942 100 2HD1 ILE 14 2HD1 ILE 14 1.067 5.230 -1.424 101 3HD1 ILE 14 1HD1 ILE 14 2.680 5.813 -1.834 102 1HN HIP 15 HN HIP 15 4.538 7.576 4.357 103 HA HIP 15 HA HIP 15 7.203 6.414 4.002 104 1HB HIP 15 1HB HIP 15 6.870 8.792 4.743 105 2HB HIP 15 2HB HIP 15 7.921 7.855 5.785 106 HD2 HIP 15 2HD HIP 15 3.980 8.400 5.967 107 HE2 HIP 15 2HE HIP 15 3.502 8.999 8.449 108 HE1 HIP 15 1HE HIP 15 5.661 9.051 9.772 109 H ALA 16 HN ALA 16 7.463 6.311 7.116 110 HA ALA 16 HA ALA 16 7.059 3.468 7.285 111 1HB ALA 16 2HB ALA 16 8.680 5.202 8.567 112 2HB ALA 16 1HB ALA 16 7.433 4.994 9.796 113 3HB ALA 16 3HB ALA 16 8.308 3.591 9.182 114 H ARG 17 HN ARG 17 5.339 6.196 8.885 115 HA ARG 17 HA ARG 17 3.653 4.723 10.556 116 1HB ARG 17 2HB ARG 17 3.814 7.372 9.791 117 2HB ARG 17 1HB ARG 17 2.218 6.903 9.209 118 1HG ARG 17 2HG ARG 17 1.904 7.652 11.457 119 2HG ARG 17 1HG ARG 17 1.821 5.890 11.519 120 1HD ARG 17 2HD ARG 17 4.043 5.717 12.371 121 2HD ARG 17 1HD ARG 17 4.396 7.402 11.996 122 HE ARG 17 HE ARG 17 3.069 6.446 14.386 123 1HH1 ARG 17 HH11 ARG 17 0.926 7.938 14.380 124 2HH1 ARG 17 HH12 ARG 17 1.364 9.612 14.459 125 1HH2 ARG 17 HH21 ARG 17 4.650 9.069 13.497 126 2HH2 ARG 17 HH22 ARG 17 3.472 10.252 13.959 127 HA PRO 18 HA PRO 18 0.430 4.074 7.095 128 1HB PRO 18 2HB PRO 18 1.181 4.574 4.494 129 2HB PRO 18 1HB PRO 18 0.375 5.761 5.533 130 1HG PRO 18 2HG PRO 18 3.245 5.612 4.726 131 2HG PRO 18 1HG PRO 18 2.267 7.031 5.139 132 1HD PRO 18 2HD PRO 18 4.128 5.799 6.834 133 2HD PRO 18 1HD PRO 18 2.853 6.916 7.354 134 H ALA 19 HN ALA 19 3.814 3.403 6.459 135 HA ALA 19 HA ALA 19 3.359 0.995 4.898 136 1HB ALA 19 3HB ALA 19 5.489 2.277 4.802 137 2HB ALA 19 2HB ALA 19 5.809 1.834 6.479 138 3HB ALA 19 1HB ALA 19 5.751 0.587 5.234 139 H THR 20 HN THR 20 3.240 1.755 8.278 140 HA THR 20 HA THR 20 3.707 -1.018 9.143 141 HB THR 20 HB THR 20 2.529 1.037 10.962 142 HG1 THR 20 HG1 THR 20 5.217 1.058 10.058 143 1HG2 THR 20 2HG2 THR 20 3.340 -1.401 11.469 144 2HG2 THR 20 1HG2 THR 20 4.948 -0.676 11.444 145 3HG2 THR 20 3HG2 THR 20 3.741 -0.106 12.597 146 H VAL 21 HN VAL 21 1.048 1.212 8.568 147 HA VAL 21 HA VAL 21 -1.009 -0.460 9.748 148 HB VAL 21 HB VAL 21 -1.349 1.612 7.587 149 1HG1 VAL 21 2HG1 VAL 21 -3.255 0.040 8.272 150 2HG1 VAL 21 1HG1 VAL 21 -3.231 0.867 9.829 151 3HG1 VAL 21 3HG1 VAL 21 -3.597 1.768 8.358 152 1HG2 VAL 21 3HG2 VAL 21 -0.841 1.881 10.535 153 2HG2 VAL 21 2HG2 VAL 21 -0.236 2.872 9.208 154 3HG2 VAL 21 1HG2 VAL 21 -1.908 3.040 9.741 155 H LEU 22 HN LEU 22 0.415 -0.066 6.575 156 HA LEU 22 HA LEU 22 -1.470 -1.793 5.205 157 1HB LEU 22 2HB LEU 22 1.283 -0.782 4.454 158 2HB LEU 22 1HB LEU 22 0.188 -1.622 3.354 159 HG LEU 22 HG LEU 22 -0.606 0.893 4.836 160 1HD1 LEU 22 3HD1 LEU 22 0.976 0.484 2.328 161 2HD1 LEU 22 2HD1 LEU 22 -0.240 1.764 2.324 162 3HD1 LEU 22 1HD1 LEU 22 1.064 1.792 3.511 163 1HD2 LEU 22 2HD2 LEU 22 -2.161 -0.930 3.558 164 2HD2 LEU 22 1HD2 LEU 22 -2.539 0.791 3.594 165 3HD2 LEU 22 3HD2 LEU 22 -1.726 0.096 2.192 166 H VAL 23 HN VAL 23 1.953 -2.184 6.207 167 HA VAL 23 HA VAL 23 2.292 -4.858 5.371 168 HB VAL 23 HB VAL 23 4.139 -3.420 6.183 169 1HG1 VAL 23 3HG1 VAL 23 2.708 -2.543 8.138 170 2HG1 VAL 23 2HG1 VAL 23 3.191 -4.011 8.989 171 3HG1 VAL 23 1HG1 VAL 23 4.412 -2.853 8.465 172 1HG2 VAL 23 3HG2 VAL 23 4.237 -5.976 6.209 173 2HG2 VAL 23 2HG2 VAL 23 5.387 -5.153 7.263 174 3HG2 VAL 23 1HG2 VAL 23 3.928 -5.877 7.942 175 H GLN 24 HN GLN 24 0.572 -3.591 8.147 176 HA GLN 24 HA GLN 24 0.406 -6.108 9.585 177 1HB GLN 24 2HB GLN 24 -1.078 -3.484 9.749 178 2HB GLN 24 1HB GLN 24 -1.556 -4.870 10.727 179 1HG GLN 24 2HG GLN 24 1.302 -4.545 10.902 180 2HG GLN 24 1HG GLN 24 0.527 -3.003 11.258 181 1HE2 GLN 24 2HE2 GLN 24 -0.787 -6.104 13.615 182 2HE2 GLN 24 1HE2 GLN 24 -0.695 -6.319 11.933 183 H THR 25 HN THR 25 -1.796 -4.337 7.402 184 HA THR 25 HA THR 25 -3.964 -6.189 7.537 185 HB THR 25 HB THR 25 -3.317 -4.694 5.011 186 HG1 THR 25 HG1 THR 25 -4.284 -3.582 7.433 187 1HG2 THR 25 1HG2 THR 25 -5.790 -5.450 6.564 188 2HG2 THR 25 3HG2 THR 25 -5.832 -4.233 5.289 189 3HG2 THR 25 2HG2 THR 25 -5.359 -5.890 4.912 190 H ALA 26 HN ALA 26 -1.594 -5.833 4.868 191 HA ALA 26 HA ALA 26 -2.250 -8.205 3.498 192 1HB ALA 26 3HB ALA 26 0.381 -6.730 3.740 193 2HB ALA 26 2HB ALA 26 0.127 -8.072 2.624 194 3HB ALA 26 1HB ALA 26 -0.814 -6.590 2.451 195 H SER 27 HN SER 27 -0.469 -7.821 6.475 196 HA SER 27 HA SER 27 1.077 -10.204 6.465 197 1HB SER 27 2HB SER 27 0.539 -8.167 8.291 198 2HB SER 27 1HB SER 27 -0.090 -9.608 9.081 199 HG SER 27 HG SER 27 2.106 -9.377 9.537 200 H LYS 28 HN LYS 28 -2.295 -9.661 7.482 201 HA LYS 28 HA LYS 28 -2.772 -12.351 8.368 202 1HB LYS 28 2HB LYS 28 -4.473 -10.003 7.629 203 2HB LYS 28 1HB LYS 28 -5.242 -11.587 7.743 204 1HG LYS 28 2HG LYS 28 -4.832 -11.778 10.015 205 2HG LYS 28 1HG LYS 28 -3.408 -10.738 9.951 206 1HD LYS 28 2HD LYS 28 -4.790 -8.763 9.675 207 2HD LYS 28 1HD LYS 28 -6.244 -9.752 9.544 208 1HE LYS 28 2HE LYS 28 -6.032 -10.491 11.834 209 2HE LYS 28 1HE LYS 28 -4.450 -9.725 11.984 210 1HZ LYS 28 3HZ LYS 28 -5.606 -7.581 11.476 211 2HZ LYS 28 2HZ LYS 28 -7.082 -8.402 11.657 212 3HZ LYS 28 1HZ LYS 28 -6.010 -8.276 12.969 213 H TYR 29 HN TYR 29 -2.856 -10.810 5.212 214 HA TYR 29 HA TYR 29 -4.144 -13.166 3.983 215 1HB TYR 29 2HB TYR 29 -3.057 -10.644 2.683 216 2HB TYR 29 1HB TYR 29 -4.069 -11.869 1.910 217 HD1 TYR 29 2HD TYR 29 -6.414 -12.221 2.647 218 HD2 TYR 29 1HD TYR 29 -4.003 -9.027 4.208 219 HE1 TYR 29 2HE TYR 29 -8.450 -11.119 3.536 220 HE2 TYR 29 1HE TYR 29 -6.039 -7.926 5.100 221 HH TYR 29 HH TYR 29 -8.862 -9.400 5.575 222 H ASP 30 HN ASP 30 -3.014 -14.816 3.147 223 HA ASP 30 HA ASP 30 -0.121 -14.870 3.279 224 1HB ASP 30 2HB ASP 30 -2.110 -16.787 2.031 225 2HB ASP 30 1HB ASP 30 -0.385 -17.113 2.203 226 H ALA 31 HN ALA 31 -2.371 -13.858 0.851 227 HA ALA 31 HA ALA 31 -0.951 -14.445 -1.526 228 1HB ALA 31 1HB ALA 31 -2.837 -12.233 -0.737 229 2HB ALA 31 3HB ALA 31 -2.075 -12.234 -2.326 230 3HB ALA 31 2HB ALA 31 -3.113 -13.576 -1.846 231 H ASP 32 HN ASP 32 0.631 -13.283 -2.689 232 HA ASP 32 HA ASP 32 2.390 -11.605 -1.014 233 1HB ASP 32 2HB ASP 32 2.662 -12.958 -3.694 234 2HB ASP 32 1HB ASP 32 3.807 -11.709 -3.202 235 H VAL 33 HN VAL 33 1.182 -9.660 -0.893 236 HA VAL 33 HA VAL 33 0.439 -8.311 -3.411 237 HB VAL 33 HB VAL 33 -0.614 -6.633 -1.974 238 1HG1 VAL 33 3HG1 VAL 33 -1.345 -9.333 -2.123 239 2HG1 VAL 33 2HG1 VAL 33 -1.514 -8.936 -0.412 240 3HG1 VAL 33 1HG1 VAL 33 -2.380 -7.995 -1.626 241 1HG2 VAL 33 3HG2 VAL 33 0.669 -8.181 0.301 242 2HG2 VAL 33 2HG2 VAL 33 1.052 -6.530 -0.183 243 3HG2 VAL 33 1HG2 VAL 33 -0.526 -6.904 0.505 244 H ASN 34 HN ASN 34 1.726 -6.823 -4.383 245 HA ASN 34 HA ASN 34 3.977 -5.668 -2.780 246 1HB ASN 34 2HB ASN 34 3.979 -6.592 -5.668 247 2HB ASN 34 1HB ASN 34 5.297 -5.697 -4.911 248 1HD2 ASN 34 2HD2 ASN 34 6.577 -8.958 -4.213 249 2HD2 ASN 34 1HD2 ASN 34 6.714 -7.614 -5.241 250 H LEU 35 HN LEU 35 4.196 -3.473 -2.908 251 HA LEU 35 HA LEU 35 2.190 -1.980 -4.485 252 1HB LEU 35 2HB LEU 35 2.790 -1.485 -2.040 253 2HB LEU 35 1HB LEU 35 4.306 -0.828 -2.654 254 HG LEU 35 HG LEU 35 2.038 0.203 -4.169 255 1HD1 LEU 35 1HD1 LEU 35 1.857 0.173 -1.203 256 2HD1 LEU 35 3HD1 LEU 35 1.523 1.718 -1.988 257 3HD1 LEU 35 2HD1 LEU 35 0.575 0.292 -2.410 258 1HD2 LEU 35 3HD2 LEU 35 4.385 1.127 -4.013 259 2HD2 LEU 35 2HD2 LEU 35 3.121 2.321 -3.714 260 3HD2 LEU 35 1HD2 LEU 35 4.015 1.627 -2.363 261 H GLU 36 HN GLU 36 2.848 -0.243 -5.940 262 HA GLU 36 HA GLU 36 5.628 -0.575 -7.005 263 1HB GLU 36 2HB GLU 36 3.839 -1.556 -8.479 264 2HB GLU 36 1HB GLU 36 3.148 0.060 -8.628 265 1HG GLU 36 2HG GLU 36 5.645 0.690 -9.291 266 2HG GLU 36 1HG GLU 36 5.710 -1.015 -9.736 267 H TYR 37 HN TYR 37 6.714 1.326 -7.547 268 HA TYR 37 HA TYR 37 5.322 3.895 -7.661 269 1HB TYR 37 2HB TYR 37 5.534 3.476 -5.198 270 2HB TYR 37 1HB TYR 37 7.285 3.406 -5.400 271 HD1 TYR 37 1HD TYR 37 4.393 5.618 -6.329 272 HD2 TYR 37 2HD TYR 37 8.498 5.369 -5.087 273 HE1 TYR 37 1HE TYR 37 4.511 8.092 -6.220 274 HE2 TYR 37 2HE TYR 37 8.614 7.843 -4.975 275 HH TYR 37 HH TYR 37 6.466 9.848 -6.408 276 H ASN 38 HN ASN 38 6.435 5.136 -9.086 277 HA ASN 38 HA ASN 38 8.167 5.919 -10.453 278 1HB ASN 38 2HB ASN 38 9.490 5.217 -7.884 279 2HB ASN 38 1HB ASN 38 10.549 5.411 -9.280 280 1HD2 ASN 38 2HD2 ASN 38 9.510 8.896 -9.748 281 2HD2 ASN 38 1HD2 ASN 38 9.741 7.499 -10.685 282 H GLY 39 HN GLY 39 7.173 3.248 -10.897 283 1HA GLY 39 2HA GLY 39 7.695 1.477 -12.344 284 2HA GLY 39 1HA GLY 39 9.233 2.274 -12.661 285 H LYS 40 HN LYS 40 8.400 1.562 -9.353 286 HA LYS 40 HA LYS 40 10.384 -0.680 -9.396 287 1HB LYS 40 2HB LYS 40 9.922 1.558 -7.454 288 2HB LYS 40 1HB LYS 40 10.510 0.013 -6.841 289 1HG LYS 40 2HG LYS 40 12.492 1.185 -7.336 290 2HG LYS 40 1HG LYS 40 12.257 0.167 -8.757 291 1HD LYS 40 2HD LYS 40 11.271 2.011 -9.987 292 2HD LYS 40 1HD LYS 40 11.303 3.037 -8.553 293 1HE LYS 40 2HE LYS 40 13.670 3.178 -8.568 294 2HE LYS 40 1HE LYS 40 13.824 1.815 -9.678 295 1HZ LYS 40 3HZ LYS 40 12.737 3.154 -11.387 296 2HZ LYS 40 2HZ LYS 40 12.656 4.471 -10.316 297 3HZ LYS 40 1HZ LYS 40 14.164 3.888 -10.838 298 H THR 41 HN THR 41 9.976 -2.244 -7.484 299 HA THR 41 HA THR 41 7.109 -2.416 -6.746 300 HB THR 41 HB THR 41 8.581 -4.713 -8.069 301 HG1 THR 41 HG1 THR 41 6.585 -2.943 -9.028 302 1HG2 THR 41 1HG2 THR 41 5.704 -4.342 -7.187 303 2HG2 THR 41 3HG2 THR 41 6.308 -5.724 -8.102 304 3HG2 THR 41 2HG2 THR 41 6.886 -5.433 -6.462 305 H VAL 42 HN VAL 42 7.590 -2.209 -4.561 306 HA VAL 42 HA VAL 42 9.512 -4.165 -3.385 307 HB VAL 42 HB VAL 42 8.903 -2.762 -1.225 308 1HG1 VAL 42 2HG1 VAL 42 11.030 -2.836 -2.949 309 2HG1 VAL 42 1HG1 VAL 42 10.623 -1.120 -2.948 310 3HG1 VAL 42 3HG1 VAL 42 10.984 -1.942 -1.428 311 1HG2 VAL 42 3HG2 VAL 42 7.152 -1.416 -2.443 312 2HG2 VAL 42 2HG2 VAL 42 8.388 -0.437 -1.654 313 3HG2 VAL 42 1HG2 VAL 42 8.447 -0.695 -3.398 314 H ASN 43 HN ASN 43 8.825 -5.595 -1.766 315 HA ASN 43 HA ASN 43 6.072 -6.468 -1.912 316 1HB ASN 43 2HB ASN 43 8.248 -7.803 -1.268 317 2HB ASN 43 1HB ASN 43 7.916 -7.194 0.355 318 1HD2 ASN 43 2HD2 ASN 43 5.862 -10.361 -0.916 319 2HD2 ASN 43 1HD2 ASN 43 7.313 -9.820 -1.612 320 H LEU 44 HN LEU 44 4.419 -6.147 -0.314 321 HA LEU 44 HA LEU 44 4.566 -3.646 1.096 322 1HB LEU 44 2HB LEU 44 2.445 -4.795 0.286 323 2HB LEU 44 1HB LEU 44 2.582 -5.828 1.715 324 HG LEU 44 HG LEU 44 2.921 -3.506 2.946 325 1HD1 LEU 44 2HD1 LEU 44 1.357 -2.761 0.474 326 2HD1 LEU 44 1HD1 LEU 44 1.532 -1.744 1.907 327 3HD1 LEU 44 3HD1 LEU 44 2.950 -2.157 0.940 328 1HD2 LEU 44 3HD2 LEU 44 0.583 -5.128 2.261 329 2HD2 LEU 44 2HD2 LEU 44 1.102 -4.484 3.817 330 3HD2 LEU 44 1HD2 LEU 44 0.179 -3.472 2.709 331 H LYS 45 HN LYS 45 5.835 -6.707 1.907 332 HA LYS 45 HA LYS 45 5.639 -6.250 4.815 333 1HB LYS 45 2HB LYS 45 7.050 -8.395 3.189 334 2HB LYS 45 1HB LYS 45 6.966 -8.363 4.951 335 1HG LYS 45 2HG LYS 45 4.780 -9.025 4.991 336 2HG LYS 45 1HG LYS 45 4.367 -8.098 3.549 337 1HD LYS 45 2HD LYS 45 5.856 -9.873 2.314 338 2HD LYS 45 1HD LYS 45 5.551 -10.853 3.749 339 1HE LYS 45 2HE LYS 45 3.039 -10.040 3.290 340 2HE LYS 45 1HE LYS 45 3.651 -9.937 1.639 341 1HZ LYS 45 1HZ LYS 45 4.554 -12.257 2.054 342 2HZ LYS 45 3HZ LYS 45 3.534 -12.302 3.409 343 3HZ LYS 45 2HZ LYS 45 2.873 -12.109 1.856 344 H SER 46 HN SER 46 6.859 -4.094 3.594 345 HA SER 46 HA SER 46 9.610 -4.304 4.665 346 1HB SER 46 2HB SER 46 9.902 -4.891 2.292 347 2HB SER 46 1HB SER 46 9.037 -3.437 1.800 348 HG SER 46 HG SER 46 11.611 -3.720 2.379 349 H ILE 47 HN ILE 47 8.694 -2.876 6.253 350 HA ILE 47 HA ILE 47 7.459 -0.369 5.560 351 HB ILE 47 HB ILE 47 8.889 -1.093 8.129 352 1HG1 ILE 47 2HG1 ILE 47 6.006 -1.523 7.258 353 2HG1 ILE 47 1HG1 ILE 47 7.199 -2.788 7.540 354 1HG2 ILE 47 1HG2 ILE 47 8.042 1.350 7.409 355 2HG2 ILE 47 3HG2 ILE 47 6.499 0.695 7.960 356 3HG2 ILE 47 2HG2 ILE 47 7.873 0.762 9.063 357 1HD1 ILE 47 3HD1 ILE 47 7.360 -1.489 9.905 358 2HD1 ILE 47 2HD1 ILE 47 5.675 -1.164 9.499 359 3HD1 ILE 47 1HD1 ILE 47 6.248 -2.827 9.619 360 H MET 48 HN MET 48 10.787 -1.325 6.340 361 HA MET 48 HA MET 48 11.829 1.383 6.246 362 1HB MET 48 2HB MET 48 12.882 -0.653 7.410 363 2HB MET 48 1HB MET 48 13.433 -1.141 5.808 364 1HG MET 48 2HG MET 48 14.798 0.767 5.561 365 2HG MET 48 1HG MET 48 13.960 1.640 6.844 366 1HE MET 48 1HE MET 48 17.135 0.601 6.048 367 2HE MET 48 3HE MET 48 16.806 1.976 7.111 368 3HE MET 48 2HE MET 48 17.838 0.659 7.663 369 H GLY 49 HN GLY 49 11.290 -1.169 3.898 370 1HA GLY 49 2HA GLY 49 12.966 -0.086 1.813 371 2HA GLY 49 1HA GLY 49 11.657 -1.246 1.577 372 H VAL 50 HN VAL 50 9.563 0.360 2.710 373 HA VAL 50 HA VAL 50 8.743 1.857 0.427 374 HB VAL 50 HB VAL 50 7.779 2.158 3.289 375 1HG1 VAL 50 3HG1 VAL 50 7.131 3.877 1.450 376 2HG1 VAL 50 2HG1 VAL 50 6.176 2.561 0.767 377 3HG1 VAL 50 1HG1 VAL 50 5.835 3.146 2.395 378 1HG2 VAL 50 2HG2 VAL 50 7.801 -0.173 1.879 379 2HG2 VAL 50 1HG2 VAL 50 6.547 0.245 3.045 380 3HG2 VAL 50 3HG2 VAL 50 6.278 0.517 1.324 381 H VAL 51 HN VAL 51 10.625 2.756 3.243 382 HA VAL 51 HA VAL 51 10.381 5.636 2.720 383 HB VAL 51 HB VAL 51 12.290 4.178 4.573 384 1HG1 VAL 51 3HG1 VAL 51 11.308 7.047 4.449 385 2HG1 VAL 51 2HG1 VAL 51 12.300 6.381 5.747 386 3HG1 VAL 51 1HG1 VAL 51 12.946 6.487 4.109 387 1HG2 VAL 51 3HG2 VAL 51 9.417 5.003 4.831 388 2HG2 VAL 51 2HG2 VAL 51 10.223 3.557 5.442 389 3HG2 VAL 51 1HG2 VAL 51 10.460 5.107 6.250 390 H SER 52 HN SER 52 12.541 3.016 1.870 391 HA SER 52 HA SER 52 14.881 4.502 1.224 392 1HB SER 52 2HB SER 52 15.552 2.592 -0.058 393 2HB SER 52 1HB SER 52 14.623 1.968 1.302 394 HG SER 52 HG SER 52 13.635 1.004 -0.331 395 H LEU 53 HN LEU 53 11.952 3.822 -0.668 396 HA LEU 53 HA LEU 53 12.901 4.963 -3.131 397 1HB LEU 53 2HB LEU 53 10.236 4.225 -1.993 398 2HB LEU 53 1HB LEU 53 10.266 5.303 -3.389 399 HG LEU 53 HG LEU 53 12.012 3.495 -4.287 400 1HD1 LEU 53 1HD1 LEU 53 11.839 2.208 -2.121 401 2HD1 LEU 53 3HD1 LEU 53 10.164 1.847 -2.538 402 3HD1 LEU 53 2HD1 LEU 53 11.473 1.254 -3.559 403 1HD2 LEU 53 1HD2 LEU 53 8.989 3.247 -4.270 404 2HD2 LEU 53 3HD2 LEU 53 9.983 4.071 -5.472 405 3HD2 LEU 53 2HD2 LEU 53 10.038 2.314 -5.336 406 H GLY 54 HN GLY 54 10.703 6.314 -0.643 407 1HA GLY 54 2HA GLY 54 11.022 8.591 0.211 408 2HA GLY 54 1HA GLY 54 11.754 9.020 -1.336 409 H ILE 55 HN ILE 55 8.684 7.400 -0.459 410 HA ILE 55 HA ILE 55 7.252 8.815 -2.561 411 HB ILE 55 HB ILE 55 6.122 7.215 -0.245 412 1HG1 ILE 55 2HG1 ILE 55 6.669 6.210 -3.042 413 2HG1 ILE 55 1HG1 ILE 55 7.870 6.067 -1.759 414 1HG2 ILE 55 3HG2 ILE 55 5.036 8.330 -2.810 415 2HG2 ILE 55 2HG2 ILE 55 4.375 6.818 -2.187 416 3HG2 ILE 55 1HG2 ILE 55 4.294 8.286 -1.211 417 1HD1 ILE 55 1HD1 ILE 55 6.229 4.846 -0.367 418 2HD1 ILE 55 3HD1 ILE 55 5.044 4.969 -1.667 419 3HD1 ILE 55 2HD1 ILE 55 6.512 4.019 -1.900 420 H ALA 56 HN ALA 56 5.330 10.190 -2.086 421 HA ALA 56 HA ALA 56 5.269 11.514 0.544 422 1HB ALA 56 2HB ALA 56 6.931 12.582 -1.377 423 2HB ALA 56 1HB ALA 56 5.439 13.484 -1.641 424 3HB ALA 56 3HB ALA 56 6.208 13.495 -0.054 425 H LYS 57 HN LYS 57 3.718 13.735 -0.236 426 HA LYS 57 HA LYS 57 1.155 12.424 -0.736 427 1HB LYS 57 2HB LYS 57 0.247 14.750 -0.518 428 2HB LYS 57 1HB LYS 57 1.241 14.263 0.856 429 1HG LYS 57 2HG LYS 57 3.059 15.591 0.173 430 2HG LYS 57 1HG LYS 57 2.462 15.717 -1.482 431 1HD LYS 57 2HD LYS 57 0.999 17.407 -0.973 432 2HD LYS 57 1HD LYS 57 0.677 16.781 0.644 433 1HE LYS 57 2HE LYS 57 3.437 17.764 0.147 434 2HE LYS 57 1HE LYS 57 2.171 18.990 0.203 435 1HZ LYS 57 3HZ LYS 57 1.435 17.876 2.323 436 2HZ LYS 57 2HZ LYS 57 2.907 17.028 2.294 437 3HZ LYS 57 1HZ LYS 57 2.901 18.724 2.400 438 H GLY 58 HN GLY 58 -0.295 13.047 -2.495 439 1HA GLY 58 2HA GLY 58 -0.784 13.449 -4.753 440 2HA GLY 58 1HA GLY 58 0.515 14.643 -4.726 441 H ALA 59 HN ALA 59 0.246 11.072 -4.561 442 HA ALA 59 HA ALA 59 2.250 10.913 -6.759 443 1HB ALA 59 2HB ALA 59 2.558 9.993 -3.971 444 2HB ALA 59 1HB ALA 59 2.956 8.776 -5.184 445 3HB ALA 59 3HB ALA 59 3.790 10.330 -5.187 446 H GLU 60 HN GLU 60 2.381 8.497 -7.494 447 HA GLU 60 HA GLU 60 -0.334 7.255 -7.326 448 1HB GLU 60 2HB GLU 60 1.379 7.823 -9.743 449 2HB GLU 60 1HB GLU 60 0.192 6.518 -9.764 450 1HG GLU 60 2HG GLU 60 -1.610 7.964 -9.624 451 2HG GLU 60 1HG GLU 60 -0.683 9.202 -8.774 452 H ILE 61 HN ILE 61 -0.332 5.010 -7.140 453 HA ILE 61 HA ILE 61 2.264 3.581 -7.392 454 HB ILE 61 HB ILE 61 1.800 2.437 -5.195 455 1HG1 ILE 61 2HG1 ILE 61 -0.239 4.677 -4.927 456 2HG1 ILE 61 1HG1 ILE 61 -0.622 2.966 -5.108 457 1HG2 ILE 61 1HG2 ILE 61 2.206 5.443 -5.238 458 2HG2 ILE 61 3HG2 ILE 61 2.485 4.441 -3.814 459 3HG2 ILE 61 2HG2 ILE 61 3.457 4.199 -5.265 460 1HD1 ILE 61 2HD1 ILE 61 1.278 3.468 -2.933 461 2HD1 ILE 61 1HD1 ILE 61 -0.264 4.290 -2.695 462 3HD1 ILE 61 3HD1 ILE 61 -0.223 2.541 -2.922 463 H THR 62 HN THR 62 1.916 1.168 -7.346 464 HA THR 62 HA THR 62 -0.854 0.412 -8.169 465 HB THR 62 HB THR 62 1.566 -0.768 -9.518 466 HG1 THR 62 HG1 THR 62 0.156 1.593 -10.206 467 1HG2 THR 62 3HG2 THR 62 -1.387 -0.685 -9.904 468 2HG2 THR 62 2HG2 THR 62 -0.385 -0.704 -11.356 469 3HG2 THR 62 1HG2 THR 62 -0.253 -2.010 -10.177 470 H ILE 63 HN ILE 63 -1.539 -1.117 -6.784 471 HA ILE 63 HA ILE 63 0.446 -2.886 -5.450 472 HB ILE 63 HB ILE 63 -2.493 -2.368 -4.872 473 1HG1 ILE 63 2HG1 ILE 63 0.004 -1.555 -3.351 474 2HG1 ILE 63 1HG1 ILE 63 -0.921 -0.479 -4.398 475 1HG2 ILE 63 3HG2 ILE 63 -0.442 -4.183 -3.610 476 2HG2 ILE 63 2HG2 ILE 63 -1.775 -3.532 -2.656 477 3HG2 ILE 63 1HG2 ILE 63 -2.110 -4.544 -4.063 478 1HD1 ILE 63 2HD1 ILE 63 -2.840 -1.624 -2.705 479 2HD1 ILE 63 1HD1 ILE 63 -1.463 -1.288 -1.656 480 3HD1 ILE 63 3HD1 ILE 63 -2.190 0.012 -2.598 481 H SER 64 HN SER 64 0.117 -5.198 -5.476 482 HA SER 64 HA SER 64 -1.941 -6.280 -7.295 483 1HB SER 64 2HB SER 64 -0.043 -7.634 -8.444 484 2HB SER 64 1HB SER 64 -0.297 -5.965 -8.946 485 HG SER 64 HG SER 64 1.516 -5.387 -7.980 486 H ALA 65 HN ALA 65 -2.824 -7.777 -5.958 487 HA ALA 65 HA ALA 65 -1.109 -9.310 -4.089 488 1HB ALA 65 3HB ALA 65 -3.313 -8.366 -3.346 489 2HB ALA 65 2HB ALA 65 -4.115 -9.434 -4.496 490 3HB ALA 65 1HB ALA 65 -3.207 -10.114 -3.146 491 H SER 66 HN SER 66 -0.457 -11.386 -4.546 492 HA SER 66 HA SER 66 -1.939 -12.908 -6.638 493 1HB SER 66 2HB SER 66 0.697 -11.783 -6.903 494 2HB SER 66 1HB SER 66 0.811 -13.539 -6.950 495 HG SER 66 HG SER 66 -0.439 -13.583 -8.706 496 H GLY 67 HN GLY 67 -2.721 -14.527 -5.314 497 1HA GLY 67 2HA GLY 67 -1.048 -16.647 -4.469 498 2HA GLY 67 1HA GLY 67 -1.333 -15.625 -3.061 499 H ALA 68 HN ALA 68 -2.833 -16.688 -1.849 500 HA ALA 68 HA ALA 68 -5.043 -18.146 -3.154 501 1HB ALA 68 3HB ALA 68 -4.063 -17.880 -0.315 502 2HB ALA 68 2HB ALA 68 -5.648 -18.571 -0.660 503 3HB ALA 68 1HB ALA 68 -4.194 -19.334 -1.305 504 H ASP 69 HN ASP 69 -4.975 -15.840 -0.415 505 HA ASP 69 HA ASP 69 -7.654 -14.874 -1.239 506 1HB ASP 69 2HB ASP 69 -7.543 -13.619 0.950 507 2HB ASP 69 1HB ASP 69 -7.439 -15.370 1.116 508 H GLU 70 HN GLU 70 -5.706 -14.149 -3.049 509 HA GLU 70 HA GLU 70 -4.421 -11.648 -2.559 510 1HB GLU 70 2HB GLU 70 -4.287 -11.480 -5.034 511 2HB GLU 70 1HB GLU 70 -3.802 -13.073 -4.453 512 1HG GLU 70 2HG GLU 70 -6.352 -13.655 -4.825 513 2HG GLU 70 1HG GLU 70 -6.299 -12.271 -5.910 514 H ASN 71 HN ASN 71 -7.666 -12.427 -3.765 515 HA ASN 71 HA ASN 71 -8.366 -9.720 -4.476 516 1HB ASN 71 2HB ASN 71 -9.907 -12.251 -3.969 517 2HB ASN 71 1HB ASN 71 -10.769 -10.722 -4.148 518 1HD2 ASN 71 2HD2 ASN 71 -10.055 -10.414 -7.627 519 2HD2 ASN 71 1HD2 ASN 71 -10.557 -9.580 -6.238 520 H ASP 72 HN ASP 72 -8.682 -11.624 -1.505 521 HA ASP 72 HA ASP 72 -10.232 -9.588 -0.115 522 1HB ASP 72 2HB ASP 72 -8.733 -12.032 0.850 523 2HB ASP 72 1HB ASP 72 -9.679 -10.989 1.911 524 H ALA 73 HN ALA 73 -6.846 -10.106 -0.712 525 HA ALA 73 HA ALA 73 -5.953 -8.529 1.583 526 1HB ALA 73 2HB ALA 73 -4.480 -9.495 -0.882 527 2HB ALA 73 1HB ALA 73 -3.721 -8.692 0.493 528 3HB ALA 73 3HB ALA 73 -4.486 -10.267 0.704 529 H LEU 74 HN LEU 74 -6.294 -7.978 -1.935 530 HA LEU 74 HA LEU 74 -5.204 -5.328 -1.878 531 1HB LEU 74 2HB LEU 74 -6.181 -5.046 -4.096 532 2HB LEU 74 1HB LEU 74 -5.462 -6.645 -3.963 533 HG LEU 74 HG LEU 74 -7.913 -7.316 -3.198 534 1HD1 LEU 74 1HD1 LEU 74 -8.297 -4.614 -3.788 535 2HD1 LEU 74 3HD1 LEU 74 -8.890 -5.441 -5.229 536 3HD1 LEU 74 2HD1 LEU 74 -9.565 -5.829 -3.647 537 1HD2 LEU 74 1HD2 LEU 74 -7.109 -6.778 -6.072 538 2HD2 LEU 74 3HD2 LEU 74 -6.717 -8.224 -5.145 539 3HD2 LEU 74 2HD2 LEU 74 -8.393 -7.874 -5.565 540 H ASN 75 HN ASN 75 -8.549 -6.513 -1.559 541 HA ASN 75 HA ASN 75 -9.584 -3.790 -1.306 542 1HB ASN 75 2HB ASN 75 -11.725 -4.982 -0.624 543 2HB ASN 75 1HB ASN 75 -11.122 -5.361 -2.235 544 1HD2 ASN 75 2HD2 ASN 75 -11.621 -8.733 -1.214 545 2HD2 ASN 75 1HD2 ASN 75 -12.246 -7.460 -2.142 546 H ALA 76 HN ALA 76 -8.125 -6.066 0.834 547 HA ALA 76 HA ALA 76 -9.409 -5.174 3.274 548 1HB ALA 76 3HB ALA 76 -6.767 -6.567 2.747 549 2HB ALA 76 2HB ALA 76 -7.390 -6.237 4.363 550 3HB ALA 76 1HB ALA 76 -8.273 -7.311 3.280 551 H LEU 77 HN LEU 77 -6.229 -4.484 1.774 552 HA LEU 77 HA LEU 77 -5.516 -2.415 3.626 553 1HB LEU 77 2HB LEU 77 -4.631 -2.738 0.747 554 2HB LEU 77 1HB LEU 77 -3.793 -1.828 2.005 555 HG LEU 77 HG LEU 77 -4.322 -4.532 2.924 556 1HD1 LEU 77 1HD1 LEU 77 -4.110 -4.657 0.269 557 2HD1 LEU 77 3HD1 LEU 77 -2.392 -4.559 0.652 558 3HD1 LEU 77 2HD1 LEU 77 -3.368 -5.869 1.315 559 1HD2 LEU 77 1HD2 LEU 77 -1.764 -3.024 2.303 560 2HD2 LEU 77 3HD2 LEU 77 -2.617 -3.016 3.846 561 3HD2 LEU 77 2HD2 LEU 77 -1.872 -4.502 3.259 562 H GLU 78 HN GLU 78 -7.367 -2.431 0.611 563 HA GLU 78 HA GLU 78 -7.406 0.381 0.144 564 1HB GLU 78 2HB GLU 78 -8.169 -1.149 -1.568 565 2HB GLU 78 1HB GLU 78 -9.422 -1.786 -0.512 566 1HG GLU 78 2HG GLU 78 -10.407 -0.222 -2.121 567 2HG GLU 78 1HG GLU 78 -10.515 0.451 -0.495 568 H GLU 79 HN GLU 79 -9.826 -1.622 1.905 569 HA GLU 79 HA GLU 79 -11.464 0.555 2.720 570 1HB GLU 79 2HB GLU 79 -12.251 -0.976 4.525 571 2HB GLU 79 1HB GLU 79 -12.225 -1.750 2.941 572 1HG GLU 79 2HG GLU 79 -10.284 -2.990 3.444 573 2HG GLU 79 1HG GLU 79 -9.867 -1.952 4.808 574 H THR 80 HN THR 80 -8.403 -0.609 3.963 575 HA THR 80 HA THR 80 -8.528 0.761 6.508 576 HB THR 80 HB THR 80 -6.071 -0.010 4.901 577 HG1 THR 80 HG1 THR 80 -6.198 -1.940 6.033 578 1HG2 THR 80 1HG2 THR 80 -6.535 0.523 7.848 579 2HG2 THR 80 3HG2 THR 80 -5.040 -0.127 7.174 580 3HG2 THR 80 2HG2 THR 80 -5.569 1.499 6.741 581 H MET 81 HN MET 81 -7.402 1.598 3.267 582 HA MET 81 HA MET 81 -6.256 4.153 4.001 583 1HB MET 81 2HB MET 81 -7.186 2.983 1.366 584 2HB MET 81 1HB MET 81 -6.470 4.588 1.500 585 1HG MET 81 2HG MET 81 -4.709 2.953 2.929 586 2HG MET 81 1HG MET 81 -5.174 1.964 1.546 587 1HE MET 81 2HE MET 81 -2.641 1.966 0.942 588 2HE MET 81 1HE MET 81 -1.678 3.401 0.604 589 3HE MET 81 3HE MET 81 -2.243 3.079 2.249 590 H LYS 82 HN LYS 82 -9.476 3.014 3.241 591 HA LYS 82 HA LYS 82 -10.595 5.644 2.700 592 1HB LYS 82 2HB LYS 82 -11.904 3.002 3.419 593 2HB LYS 82 1HB LYS 82 -12.778 4.448 2.910 594 1HG LYS 82 2HG LYS 82 -10.546 3.359 1.211 595 2HG LYS 82 1HG LYS 82 -12.159 2.651 1.114 596 1HD LYS 82 2HD LYS 82 -12.998 5.079 0.824 597 2HD LYS 82 1HD LYS 82 -11.314 5.480 0.484 598 1HE LYS 82 2HE LYS 82 -12.278 5.029 -1.644 599 2HE LYS 82 1HE LYS 82 -11.374 3.571 -1.233 600 1HZ LYS 82 2HZ LYS 82 -14.255 3.905 -0.626 601 2HZ LYS 82 1HZ LYS 82 -13.693 3.211 -2.071 602 3HZ LYS 82 3HZ LYS 82 -13.339 2.474 -0.585 603 H SER 83 HN SER 83 -9.989 3.715 5.558 604 HA SER 83 HA SER 83 -11.784 5.288 7.260 605 1HB SER 83 2HB SER 83 -10.422 3.986 9.080 606 2HB SER 83 1HB SER 83 -11.545 3.100 8.053 607 HG SER 83 HG SER 83 -9.042 2.583 8.361 608 H GLU 84 HN GLU 84 -8.253 4.711 7.490 609 HA GLU 84 HA GLU 84 -7.790 7.078 9.052 610 1HB GLU 84 2HB GLU 84 -6.061 5.116 7.583 611 2HB GLU 84 1HB GLU 84 -5.345 6.627 8.147 612 1HG GLU 84 2HG GLU 84 -5.821 6.147 10.410 613 2HG GLU 84 1HG GLU 84 -6.999 4.903 9.989 614 H GLY 85 HN GLY 85 -7.857 6.439 5.605 615 1HA GLY 85 2HA GLY 85 -8.102 8.053 3.875 616 2HA GLY 85 1HA GLY 85 -7.810 9.328 5.061 617 H LEU 86 HN LEU 86 -5.939 6.494 3.925 618 HA LEU 86 HA LEU 86 -3.478 8.114 3.981 619 1HB LEU 86 2HB LEU 86 -3.993 5.200 3.332 620 2HB LEU 86 1HB LEU 86 -2.394 5.944 3.329 621 HG LEU 86 HG LEU 86 -4.270 5.912 5.712 622 1HD1 LEU 86 2HD1 LEU 86 -3.136 3.702 4.835 623 2HD1 LEU 86 1HD1 LEU 86 -1.682 4.403 5.545 624 3HD1 LEU 86 3HD1 LEU 86 -3.094 4.088 6.555 625 1HD2 LEU 86 3HD2 LEU 86 -1.536 7.031 5.159 626 2HD2 LEU 86 2HD2 LEU 86 -2.871 7.749 6.060 627 3HD2 LEU 86 1HD2 LEU 86 -1.913 6.457 6.784 628 H GLY 87 HN GLY 87 -5.706 6.741 1.634 629 1HA GLY 87 2HA GLY 87 -4.993 8.492 -0.461 630 2HA GLY 87 1HA GLY 87 -4.045 7.021 -0.689 631 H GLU 88 HN GLU 88 -6.330 8.151 -2.281 632 HA GLU 88 HA GLU 88 -7.914 5.641 -2.380 633 1HB GLU 88 2HB GLU 88 -10.007 7.064 -2.708 634 2HB GLU 88 1HB GLU 88 -9.365 7.024 -1.068 635 1HG GLU 88 2HG GLU 88 -8.256 9.164 -2.787 636 2HG GLU 88 1HG GLU 88 -9.971 9.325 -2.410 No H/Q in entry = 636 Start of MODEL 7 1 1H ALA 2 2HT ALA 2 -6.493 -8.939 -10.374 2 2H ALA 2 1HT ALA 2 -5.670 -10.407 -10.142 3 3H ALA 2 3HT ALA 2 -7.357 -10.349 -9.982 4 HA ALA 2 HA ALA 2 -7.281 -9.225 -7.973 5 1HB ALA 2 2HB ALA 2 -6.446 -11.593 -7.861 6 2HB ALA 2 1HB ALA 2 -4.800 -10.969 -7.967 7 3HB ALA 2 3HB ALA 2 -5.810 -10.564 -6.578 8 H GLN 3 HN GLN 3 -6.726 -7.005 -8.598 9 HA GLN 3 HA GLN 3 -4.386 -6.021 -7.254 10 1HB GLN 3 2HB GLN 3 -3.252 -5.068 -9.292 11 2HB GLN 3 1HB GLN 3 -3.151 -6.823 -9.173 12 1HG GLN 3 2HG GLN 3 -4.674 -7.165 -10.902 13 2HG GLN 3 1HG GLN 3 -5.439 -5.593 -10.673 14 1HE2 GLN 3 2HE2 GLN 3 -2.135 -5.908 -13.056 15 2HE2 GLN 3 1HE2 GLN 3 -2.636 -7.226 -12.112 16 H LYS 4 HN LYS 4 -4.339 -3.680 -7.243 17 HA LYS 4 HA LYS 4 -6.466 -2.247 -8.700 18 1HB LYS 4 2HB LYS 4 -6.562 -2.872 -5.790 19 2HB LYS 4 1HB LYS 4 -7.021 -1.239 -6.270 20 1HG LYS 4 2HG LYS 4 -8.398 -2.599 -8.125 21 2HG LYS 4 1HG LYS 4 -8.358 -3.836 -6.866 22 1HD LYS 4 2HD LYS 4 -10.266 -2.674 -6.241 23 2HD LYS 4 1HD LYS 4 -9.045 -1.807 -5.308 24 1HE LYS 4 2HE LYS 4 -9.820 0.064 -6.318 25 2HE LYS 4 1HE LYS 4 -8.990 -0.511 -7.764 26 1HZ LYS 4 1HZ LYS 4 -11.774 -1.237 -7.036 27 2HZ LYS 4 3HZ LYS 4 -11.365 0.004 -8.117 28 3HZ LYS 4 2HZ LYS 4 -10.968 -1.606 -8.486 29 H THR 5 HN THR 5 -5.919 -0.097 -9.009 30 HA THR 5 HA THR 5 -3.233 0.719 -8.079 31 HB THR 5 HB THR 5 -5.142 2.229 -9.888 32 HG1 THR 5 HG1 THR 5 -4.668 0.800 -11.325 33 1HG2 THR 5 1HG2 THR 5 -3.120 3.369 -8.773 34 2HG2 THR 5 3HG2 THR 5 -2.127 2.339 -9.802 35 3HG2 THR 5 2HG2 THR 5 -3.243 3.496 -10.527 36 H PHE 6 HN PHE 6 -2.878 2.489 -6.714 37 HA PHE 6 HA PHE 6 -5.321 3.752 -5.537 38 1HB PHE 6 2HB PHE 6 -2.800 2.824 -4.131 39 2HB PHE 6 1HB PHE 6 -4.047 3.815 -3.371 40 HD1 PHE 6 1HD PHE 6 -3.647 0.621 -5.299 41 HD2 PHE 6 2HD PHE 6 -5.845 2.778 -2.306 42 HE1 PHE 6 1HE PHE 6 -4.979 -1.415 -4.811 43 HE2 PHE 6 2HE PHE 6 -7.175 0.742 -1.818 44 HZ PHE 6 HZ PHE 6 -6.743 -1.354 -3.069 45 H LYS 7 HN LYS 7 -4.703 5.851 -4.360 46 HA LYS 7 HA LYS 7 -2.517 7.258 -5.843 47 1HB LYS 7 2HB LYS 7 -5.047 7.776 -6.418 48 2HB LYS 7 1HB LYS 7 -4.969 8.727 -4.935 49 1HG LYS 7 2HG LYS 7 -4.367 10.223 -6.700 50 2HG LYS 7 1HG LYS 7 -2.858 9.799 -5.890 51 1HD LYS 7 2HD LYS 7 -2.179 9.374 -8.037 52 2HD LYS 7 1HD LYS 7 -2.943 7.816 -7.719 53 1HE LYS 7 2HE LYS 7 -5.117 9.140 -8.534 54 2HE LYS 7 1HE LYS 7 -3.907 10.094 -9.392 55 1HZ LYS 7 2HZ LYS 7 -3.028 8.055 -10.346 56 2HZ LYS 7 1HZ LYS 7 -4.204 7.142 -9.528 57 3HZ LYS 7 3HZ LYS 7 -4.671 8.242 -10.733 58 H VAL 8 HN VAL 8 -1.152 8.459 -4.563 59 HA VAL 8 HA VAL 8 -1.451 8.217 -1.657 60 HB VAL 8 HB VAL 8 0.654 9.800 -3.156 61 1HG1 VAL 8 2HG1 VAL 8 0.336 9.989 -0.617 62 2HG1 VAL 8 1HG1 VAL 8 0.859 8.305 -0.536 63 3HG1 VAL 8 3HG1 VAL 8 1.949 9.538 -1.173 64 1HG2 VAL 8 2HG2 VAL 8 0.327 6.844 -2.737 65 2HG2 VAL 8 1HG2 VAL 8 0.963 7.708 -4.136 66 3HG2 VAL 8 3HG2 VAL 8 1.948 7.536 -2.683 67 H THR 9 HN THR 9 -2.808 9.603 -0.638 68 HA THR 9 HA THR 9 -2.918 12.433 -1.599 69 HB THR 9 HB THR 9 -5.009 10.959 0.024 70 HG1 THR 9 HG1 THR 9 -6.020 10.572 -1.862 71 1HG2 THR 9 3HG2 THR 9 -4.739 13.685 -1.172 72 2HG2 THR 9 2HG2 THR 9 -6.338 12.939 -1.148 73 3HG2 THR 9 1HG2 THR 9 -5.464 13.201 0.362 74 H ALA 10 HN ALA 10 -1.906 10.439 1.002 75 HA ALA 10 HA ALA 10 -2.415 12.072 3.263 76 1HB ALA 10 3HB ALA 10 -0.293 10.065 2.563 77 2HB ALA 10 2HB ALA 10 -0.137 11.011 4.043 78 3HB ALA 10 1HB ALA 10 -1.544 9.977 3.803 79 H ASP 11 HN ASP 11 -1.340 13.840 4.145 80 HA ASP 11 HA ASP 11 0.079 15.591 2.374 81 1HB ASP 11 2HB ASP 11 0.538 16.913 4.459 82 2HB ASP 11 1HB ASP 11 -1.163 16.498 4.254 83 H SER 12 HN SER 12 1.186 13.449 5.000 84 HA SER 12 HA SER 12 3.980 14.182 4.685 85 1HB SER 12 2HB SER 12 4.427 12.440 6.274 86 2HB SER 12 1HB SER 12 2.920 13.199 6.779 87 HG SER 12 HG SER 12 1.947 11.373 6.441 88 H GLY 13 HN GLY 13 1.860 11.698 3.366 89 1HA GLY 13 2HA GLY 13 2.385 10.812 1.119 90 2HA GLY 13 1HA GLY 13 4.093 10.864 1.563 91 H ILE 14 HN ILE 14 4.618 8.694 1.430 92 HA ILE 14 HA ILE 14 3.089 6.854 3.227 93 HB ILE 14 HB ILE 14 4.529 6.102 0.666 94 1HG1 ILE 14 2HG1 ILE 14 1.552 6.357 1.201 95 2HG1 ILE 14 1HG1 ILE 14 2.504 7.527 0.289 96 1HG2 ILE 14 3HG2 ILE 14 4.186 4.430 2.635 97 2HG2 ILE 14 2HG2 ILE 14 2.485 4.476 2.169 98 3HG2 ILE 14 1HG2 ILE 14 3.701 3.927 1.016 99 1HD1 ILE 14 1HD1 ILE 14 3.147 5.717 -1.300 100 2HD1 ILE 14 3HD1 ILE 14 2.098 4.606 -0.420 101 3HD1 ILE 14 2HD1 ILE 14 1.406 5.991 -1.262 102 1HN HIP 15 HN HIP 15 4.651 7.459 4.906 103 HA HIP 15 HA HIP 15 7.381 6.392 4.436 104 1HB HIP 15 1HB HIP 15 7.268 8.758 5.130 105 2HB HIP 15 2HB HIP 15 8.119 7.776 6.302 106 HD2 HIP 15 2HD HIP 15 4.348 8.999 5.995 107 HE2 HIP 15 2HE HIP 15 3.633 9.635 8.411 108 HE1 HIP 15 1HE HIP 15 5.532 9.222 10.029 109 H ALA 16 HN ALA 16 8.026 6.055 7.211 110 HA ALA 16 HA ALA 16 7.358 3.371 7.602 111 1HB ALA 16 1HB ALA 16 9.043 5.070 8.826 112 2HB ALA 16 3HB ALA 16 7.785 4.978 10.058 113 3HB ALA 16 2HB ALA 16 8.594 3.508 9.512 114 H ARG 17 HN ARG 17 5.563 6.211 8.830 115 HA ARG 17 HA ARG 17 3.907 4.790 10.657 116 1HB ARG 17 2HB ARG 17 3.713 7.389 9.232 117 2HB ARG 17 1HB ARG 17 2.223 6.745 9.913 118 1HG ARG 17 2HG ARG 17 4.533 6.538 11.729 119 2HG ARG 17 1HG ARG 17 4.117 8.198 11.309 120 1HD ARG 17 2HD ARG 17 2.634 7.955 13.033 121 2HD ARG 17 1HD ARG 17 1.640 7.219 11.777 122 HE ARG 17 HE ARG 17 3.135 5.103 12.758 123 1HH1 ARG 17 HH11 ARG 17 0.110 5.810 13.184 124 2HH1 ARG 17 HH12 ARG 17 0.001 5.591 14.898 125 1HH2 ARG 17 HH21 ARG 17 3.435 5.560 15.379 126 2HH2 ARG 17 HH22 ARG 17 1.884 5.450 16.141 127 HA PRO 18 HA PRO 18 0.628 4.150 7.240 128 1HB PRO 18 2HB PRO 18 1.308 4.770 4.644 129 2HB PRO 18 1HB PRO 18 0.470 5.882 5.741 130 1HG PRO 18 2HG PRO 18 3.354 5.854 4.923 131 2HG PRO 18 1HG PRO 18 2.311 7.234 5.315 132 1HD PRO 18 2HD PRO 18 4.195 6.176 7.063 133 2HD PRO 18 1HD PRO 18 2.766 7.098 7.567 134 H ALA 19 HN ALA 19 3.976 3.414 6.888 135 HA ALA 19 HA ALA 19 3.596 1.172 5.040 136 1HB ALA 19 3HB ALA 19 5.746 2.611 5.397 137 2HB ALA 19 2HB ALA 19 6.015 1.566 6.792 138 3HB ALA 19 1HB ALA 19 5.925 0.870 5.175 139 H THR 20 HN THR 20 3.684 1.722 8.501 140 HA THR 20 HA THR 20 3.917 -1.103 9.198 141 HB THR 20 HB THR 20 2.811 0.951 11.082 142 HG1 THR 20 HG1 THR 20 5.543 0.731 10.365 143 1HG2 THR 20 2HG2 THR 20 3.418 -1.599 11.472 144 2HG2 THR 20 1HG2 THR 20 5.050 -0.953 11.641 145 3HG2 THR 20 3HG2 THR 20 3.765 -0.391 12.710 146 H VAL 21 HN VAL 21 1.343 1.213 8.616 147 HA VAL 21 HA VAL 21 -0.809 -0.326 9.768 148 HB VAL 21 HB VAL 21 -1.042 1.573 7.443 149 1HG1 VAL 21 2HG1 VAL 21 -2.958 0.076 8.529 150 2HG1 VAL 21 1HG1 VAL 21 -2.975 1.382 9.714 151 3HG1 VAL 21 3HG1 VAL 21 -3.277 1.731 8.012 152 1HG2 VAL 21 1HG2 VAL 21 -0.461 2.103 10.337 153 2HG2 VAL 21 3HG2 VAL 21 0.111 2.966 8.909 154 3HG2 VAL 21 2HG2 VAL 21 -1.539 3.208 9.483 155 H LEU 22 HN LEU 22 0.370 0.087 6.461 156 HA LEU 22 HA LEU 22 -1.420 -1.745 5.220 157 1HB LEU 22 2HB LEU 22 1.327 -0.734 4.472 158 2HB LEU 22 1HB LEU 22 0.347 -1.742 3.400 159 HG LEU 22 HG LEU 22 -0.580 0.890 4.596 160 1HD1 LEU 22 1HD1 LEU 22 0.648 0.176 1.916 161 2HD1 LEU 22 3HD1 LEU 22 -0.334 1.625 2.143 162 3HD1 LEU 22 2HD1 LEU 22 1.166 1.426 3.050 163 1HD2 LEU 22 2HD2 LEU 22 -1.720 -1.061 2.575 164 2HD2 LEU 22 1HD2 LEU 22 -2.465 -0.488 4.067 165 3HD2 LEU 22 3HD2 LEU 22 -2.285 0.606 2.695 166 H VAL 23 HN VAL 23 2.023 -2.221 6.133 167 HA VAL 23 HA VAL 23 2.264 -4.918 5.417 168 HB VAL 23 HB VAL 23 4.150 -3.512 6.194 169 1HG1 VAL 23 3HG1 VAL 23 2.936 -2.429 8.072 170 2HG1 VAL 23 2HG1 VAL 23 2.976 -3.954 8.955 171 3HG1 VAL 23 1HG1 VAL 23 4.480 -3.111 8.582 172 1HG2 VAL 23 3HG2 VAL 23 3.969 -6.160 6.406 173 2HG2 VAL 23 2HG2 VAL 23 5.371 -5.295 7.038 174 3HG2 VAL 23 1HG2 VAL 23 4.079 -5.798 8.129 175 H GLN 24 HN GLN 24 0.610 -3.556 8.195 176 HA GLN 24 HA GLN 24 0.427 -5.976 9.742 177 1HB GLN 24 2HB GLN 24 -1.161 -3.411 9.682 178 2HB GLN 24 1HB GLN 24 -1.610 -4.743 10.744 179 1HG GLN 24 2HG GLN 24 1.248 -4.189 10.884 180 2HG GLN 24 1HG GLN 24 0.294 -2.764 11.286 181 1HE2 GLN 24 2HE2 GLN 24 -0.213 -4.018 14.531 182 2HE2 GLN 24 1HE2 GLN 24 0.173 -2.694 13.541 183 H THR 25 HN THR 25 -2.003 -4.385 7.632 184 HA THR 25 HA THR 25 -3.945 -6.454 7.791 185 HB THR 25 HB THR 25 -3.545 -4.824 5.294 186 HG1 THR 25 HG1 THR 25 -4.039 -3.049 6.326 187 1HG2 THR 25 2HG2 THR 25 -5.826 -6.058 6.805 188 2HG2 THR 25 1HG2 THR 25 -6.123 -4.677 5.750 189 3HG2 THR 25 3HG2 THR 25 -5.443 -6.162 5.087 190 H ALA 26 HN ALA 26 -1.527 -5.886 5.207 191 HA ALA 26 HA ALA 26 -2.107 -8.205 3.688 192 1HB ALA 26 1HB ALA 26 0.308 -6.450 3.992 193 2HB ALA 26 3HB ALA 26 0.435 -7.940 3.059 194 3HB ALA 26 2HB ALA 26 -0.721 -6.698 2.581 195 H SER 27 HN SER 27 -0.346 -7.867 6.692 196 HA SER 27 HA SER 27 1.253 -10.220 6.601 197 1HB SER 27 2HB SER 27 0.893 -8.263 8.444 198 2HB SER 27 1HB SER 27 -0.024 -9.559 9.200 199 HG SER 27 HG SER 27 2.698 -9.341 8.669 200 H LYS 28 HN LYS 28 -2.146 -9.753 7.467 201 HA LYS 28 HA LYS 28 -2.576 -12.474 8.349 202 1HB LYS 28 2HB LYS 28 -4.617 -10.486 7.310 203 2HB LYS 28 1HB LYS 28 -4.942 -11.902 8.309 204 1HG LYS 28 2HG LYS 28 -3.118 -9.653 9.193 205 2HG LYS 28 1HG LYS 28 -4.841 -9.689 9.562 206 1HD LYS 28 2HD LYS 28 -3.016 -12.004 10.231 207 2HD LYS 28 1HD LYS 28 -3.268 -10.659 11.344 208 1HE LYS 28 2HE LYS 28 -5.447 -11.249 11.783 209 2HE LYS 28 1HE LYS 28 -5.702 -11.912 10.169 210 1HZ LYS 28 1HZ LYS 28 -4.210 -13.767 10.820 211 2HZ LYS 28 3HZ LYS 28 -4.202 -13.162 12.404 212 3HZ LYS 28 2HZ LYS 28 -5.655 -13.705 11.711 213 H TYR 29 HN TYR 29 -2.646 -10.847 5.238 214 HA TYR 29 HA TYR 29 -3.831 -13.237 3.940 215 1HB TYR 29 2HB TYR 29 -2.960 -10.599 2.711 216 2HB TYR 29 1HB TYR 29 -3.895 -11.867 1.916 217 HD1 TYR 29 2HD TYR 29 -6.200 -12.413 2.704 218 HD2 TYR 29 1HD TYR 29 -3.994 -9.066 4.252 219 HE1 TYR 29 2HE TYR 29 -8.295 -11.459 3.627 220 HE2 TYR 29 1HE TYR 29 -6.090 -8.113 5.176 221 HH TYR 29 HH TYR 29 -8.318 -8.910 5.875 222 H ASP 30 HN ASP 30 -2.544 -14.776 3.075 223 HA ASP 30 HA ASP 30 0.367 -14.346 2.991 224 1HB ASP 30 2HB ASP 30 -1.295 -16.790 2.313 225 2HB ASP 30 1HB ASP 30 0.462 -16.751 2.459 226 H ALA 31 HN ALA 31 -1.902 -13.386 0.886 227 HA ALA 31 HA ALA 31 -1.058 -14.563 -1.603 228 1HB ALA 31 3HB ALA 31 -3.233 -13.387 -1.302 229 2HB ALA 31 2HB ALA 31 -2.359 -11.866 -1.117 230 3HB ALA 31 1HB ALA 31 -2.303 -12.734 -2.651 231 H ASP 32 HN ASP 32 -0.230 -12.848 -3.361 232 HA ASP 32 HA ASP 32 2.299 -11.736 -2.246 233 1HB ASP 32 2HB ASP 32 1.521 -12.439 -5.095 234 2HB ASP 32 1HB ASP 32 3.083 -11.779 -4.611 235 H VAL 33 HN VAL 33 0.973 -9.868 -1.463 236 HA VAL 33 HA VAL 33 -0.039 -8.034 -3.547 237 HB VAL 33 HB VAL 33 -0.681 -6.615 -1.595 238 1HG1 VAL 33 3HG1 VAL 33 -1.578 -9.382 -2.087 239 2HG1 VAL 33 2HG1 VAL 33 -2.024 -8.756 -0.500 240 3HG1 VAL 33 1HG1 VAL 33 -2.521 -7.898 -1.960 241 1HG2 VAL 33 2HG2 VAL 33 1.230 -8.318 -0.272 242 2HG2 VAL 33 1HG2 VAL 33 0.388 -6.908 0.368 243 3HG2 VAL 33 3HG2 VAL 33 -0.337 -8.509 0.512 244 H ASN 34 HN ASN 34 1.535 -6.919 -4.605 245 HA ASN 34 HA ASN 34 3.764 -5.768 -2.971 246 1HB ASN 34 2HB ASN 34 3.692 -6.696 -5.850 247 2HB ASN 34 1HB ASN 34 5.004 -5.718 -5.191 248 1HD2 ASN 34 2HD2 ASN 34 6.556 -8.461 -3.621 249 2HD2 ASN 34 1HD2 ASN 34 6.649 -6.833 -4.093 250 H LEU 35 HN LEU 35 4.007 -3.581 -3.015 251 HA LEU 35 HA LEU 35 2.026 -1.988 -4.519 252 1HB LEU 35 2HB LEU 35 2.868 -1.675 -2.021 253 2HB LEU 35 1HB LEU 35 4.168 -0.778 -2.802 254 HG LEU 35 HG LEU 35 1.805 0.118 -4.059 255 1HD1 LEU 35 1HD1 LEU 35 0.886 -1.022 -1.801 256 2HD1 LEU 35 3HD1 LEU 35 1.342 0.552 -1.149 257 3HD1 LEU 35 2HD1 LEU 35 0.180 0.448 -2.471 258 1HD2 LEU 35 2HD2 LEU 35 3.982 1.308 -3.269 259 2HD2 LEU 35 1HD2 LEU 35 2.477 2.227 -3.247 260 3HD2 LEU 35 3HD2 LEU 35 3.119 1.548 -1.750 261 H GLU 36 HN GLU 36 2.792 -0.085 -5.784 262 HA GLU 36 HA GLU 36 5.525 -0.491 -6.931 263 1HB GLU 36 2HB GLU 36 3.349 -1.172 -8.327 264 2HB GLU 36 1HB GLU 36 3.333 0.558 -8.670 265 1HG GLU 36 2HG GLU 36 5.273 0.475 -9.893 266 2HG GLU 36 1HG GLU 36 5.958 -0.822 -8.912 267 H TYR 37 HN TYR 37 6.546 1.464 -7.689 268 HA TYR 37 HA TYR 37 5.192 4.035 -7.245 269 1HB TYR 37 2HB TYR 37 6.062 3.340 -4.983 270 2HB TYR 37 1HB TYR 37 7.689 3.369 -5.661 271 HD1 TYR 37 1HD TYR 37 4.696 5.616 -6.015 272 HD2 TYR 37 2HD TYR 37 8.846 5.264 -4.962 273 HE1 TYR 37 1HE TYR 37 4.812 8.066 -5.648 274 HE2 TYR 37 2HE TYR 37 8.960 7.714 -4.596 275 HH TYR 37 HH TYR 37 6.234 9.658 -4.313 276 H ASN 38 HN ASN 38 5.660 4.279 -9.504 277 HA ASN 38 HA ASN 38 6.934 5.049 -11.311 278 1HB ASN 38 2HB ASN 38 7.750 6.545 -9.240 279 2HB ASN 38 1HB ASN 38 9.260 5.688 -9.552 280 1HD2 ASN 38 2HD2 ASN 38 8.332 8.747 -11.917 281 2HD2 ASN 38 1HD2 ASN 38 7.654 8.480 -10.384 282 H GLY 39 HN GLY 39 7.019 2.335 -10.964 283 1HA GLY 39 2HA GLY 39 8.272 0.604 -11.992 284 2HA GLY 39 1HA GLY 39 9.654 1.689 -12.066 285 H LYS 40 HN LYS 40 8.763 2.048 -8.959 286 HA LYS 40 HA LYS 40 10.730 0.045 -8.041 287 1HB LYS 40 2HB LYS 40 9.268 2.188 -6.467 288 2HB LYS 40 1HB LYS 40 10.662 1.255 -5.922 289 1HG LYS 40 2HG LYS 40 11.077 2.623 -8.503 290 2HG LYS 40 1HG LYS 40 10.805 3.717 -7.147 291 1HD LYS 40 2HD LYS 40 12.531 2.008 -5.977 292 2HD LYS 40 1HD LYS 40 13.067 1.852 -7.651 293 1HE LYS 40 2HE LYS 40 12.654 4.537 -6.322 294 2HE LYS 40 1HE LYS 40 14.202 3.693 -6.294 295 1HZ LYS 40 1HZ LYS 40 14.053 3.590 -8.760 296 2HZ LYS 40 3HZ LYS 40 12.698 4.607 -8.682 297 3HZ LYS 40 2HZ LYS 40 14.208 5.164 -8.139 298 H THR 41 HN THR 41 9.719 -1.948 -7.929 299 HA THR 41 HA THR 41 7.032 -2.129 -6.690 300 HB THR 41 HB THR 41 8.745 -4.341 -7.863 301 HG1 THR 41 HG1 THR 41 6.610 -2.898 -9.042 302 1HG2 THR 41 1HG2 THR 41 6.007 -4.143 -6.712 303 2HG2 THR 41 3HG2 THR 41 6.194 -5.144 -8.152 304 3HG2 THR 41 2HG2 THR 41 7.136 -5.497 -6.704 305 H VAL 42 HN VAL 42 7.356 -1.864 -4.487 306 HA VAL 42 HA VAL 42 9.368 -3.624 -3.157 307 HB VAL 42 HB VAL 42 8.584 -2.234 -1.073 308 1HG1 VAL 42 1HG1 VAL 42 10.723 -2.077 -2.774 309 2HG1 VAL 42 3HG1 VAL 42 10.094 -0.430 -2.845 310 3HG1 VAL 42 2HG1 VAL 42 10.543 -1.137 -1.292 311 1HG2 VAL 42 3HG2 VAL 42 6.682 -1.147 -2.301 312 2HG2 VAL 42 2HG2 VAL 42 7.797 0.010 -1.575 313 3HG2 VAL 42 1HG2 VAL 42 7.865 -0.311 -3.307 314 H ASN 43 HN ASN 43 8.706 -5.054 -1.496 315 HA ASN 43 HA ASN 43 6.097 -6.231 -1.841 316 1HB ASN 43 2HB ASN 43 8.312 -7.293 -0.943 317 2HB ASN 43 1HB ASN 43 7.793 -6.647 0.614 318 1HD2 ASN 43 2HD2 ASN 43 6.354 -10.138 -0.130 319 2HD2 ASN 43 1HD2 ASN 43 7.918 -9.530 -0.387 320 H LEU 44 HN LEU 44 4.235 -5.975 -0.587 321 HA LEU 44 HA LEU 44 3.775 -3.512 0.742 322 1HB LEU 44 2HB LEU 44 2.096 -5.300 -0.175 323 2HB LEU 44 1HB LEU 44 2.238 -6.018 1.424 324 HG LEU 44 HG LEU 44 0.294 -4.463 1.219 325 1HD1 LEU 44 3HD1 LEU 44 1.976 -4.787 3.317 326 2HD1 LEU 44 2HD1 LEU 44 2.058 -3.036 3.116 327 3HD1 LEU 44 1HD1 LEU 44 0.503 -3.823 3.383 328 1HD2 LEU 44 1HD2 LEU 44 1.560 -2.861 -0.342 329 2HD2 LEU 44 3HD2 LEU 44 0.574 -2.114 0.917 330 3HD2 LEU 44 2HD2 LEU 44 2.322 -2.219 1.114 331 H LYS 45 HN LYS 45 5.052 -6.555 1.915 332 HA LYS 45 HA LYS 45 4.932 -5.659 4.731 333 1HB LYS 45 2HB LYS 45 6.228 -8.160 3.607 334 2HB LYS 45 1HB LYS 45 5.781 -7.853 5.284 335 1HG LYS 45 2HG LYS 45 3.759 -8.754 4.882 336 2HG LYS 45 1HG LYS 45 3.427 -7.450 3.745 337 1HD LYS 45 2HD LYS 45 4.471 -8.735 1.932 338 2HD LYS 45 1HD LYS 45 4.870 -10.030 3.062 339 1HE LYS 45 2HE LYS 45 2.025 -9.096 2.725 340 2HE LYS 45 1HE LYS 45 2.722 -10.291 1.633 341 1HZ LYS 45 3HZ LYS 45 2.655 -10.524 4.592 342 2HZ LYS 45 2HZ LYS 45 1.585 -11.307 3.530 343 3HZ LYS 45 1HZ LYS 45 3.240 -11.690 3.507 344 H SER 46 HN SER 46 6.348 -3.788 3.648 345 HA SER 46 HA SER 46 9.135 -4.339 4.471 346 1HB SER 46 2HB SER 46 8.677 -4.576 1.848 347 2HB SER 46 1HB SER 46 8.783 -2.818 1.909 348 HG SER 46 HG SER 46 10.830 -2.969 2.673 349 H ILE 47 HN ILE 47 8.415 -2.976 6.236 350 HA ILE 47 HA ILE 47 7.366 -0.336 5.851 351 HB ILE 47 HB ILE 47 8.972 -1.344 8.213 352 1HG1 ILE 47 2HG1 ILE 47 5.997 -1.541 7.601 353 2HG1 ILE 47 1HG1 ILE 47 7.124 -2.890 7.690 354 1HG2 ILE 47 3HG2 ILE 47 8.221 1.189 7.738 355 2HG2 ILE 47 2HG2 ILE 47 6.701 0.590 8.399 356 3HG2 ILE 47 1HG2 ILE 47 8.177 0.498 9.359 357 1HD1 ILE 47 1HD1 ILE 47 7.621 -2.148 10.082 358 2HD1 ILE 47 3HD1 ILE 47 6.214 -1.096 9.942 359 3HD1 ILE 47 2HD1 ILE 47 6.025 -2.845 9.805 360 H MET 48 HN MET 48 10.674 -1.571 6.259 361 HA MET 48 HA MET 48 11.867 1.090 6.196 362 1HB MET 48 2HB MET 48 12.904 -0.915 7.321 363 2HB MET 48 1HB MET 48 13.222 -1.579 5.717 364 1HG MET 48 2HG MET 48 14.864 -0.039 5.249 365 2HG MET 48 1HG MET 48 14.097 1.227 6.207 366 1HE MET 48 2HE MET 48 14.524 1.959 8.007 367 2HE MET 48 1HE MET 48 15.270 1.269 9.446 368 3HE MET 48 3HE MET 48 16.278 1.969 8.172 369 H GLY 49 HN GLY 49 11.026 -1.355 3.830 370 1HA GLY 49 2HA GLY 49 12.692 -0.311 1.699 371 2HA GLY 49 1HA GLY 49 11.350 -1.438 1.501 372 H VAL 50 HN VAL 50 9.464 0.392 2.894 373 HA VAL 50 HA VAL 50 8.619 1.902 0.564 374 HB VAL 50 HB VAL 50 7.584 2.049 3.414 375 1HG1 VAL 50 2HG1 VAL 50 6.561 2.994 0.737 376 2HG1 VAL 50 1HG1 VAL 50 5.452 2.660 2.067 377 3HG1 VAL 50 3HG1 VAL 50 6.696 3.898 2.244 378 1HG2 VAL 50 2HG2 VAL 50 7.631 -0.195 1.834 379 2HG2 VAL 50 1HG2 VAL 50 6.398 0.134 3.052 380 3HG2 VAL 50 3HG2 VAL 50 6.094 0.526 1.360 381 H VAL 51 HN VAL 51 10.346 2.656 3.539 382 HA VAL 51 HA VAL 51 10.161 5.551 3.129 383 HB VAL 51 HB VAL 51 12.010 4.010 4.973 384 1HG1 VAL 51 1HG1 VAL 51 11.187 6.887 4.668 385 2HG1 VAL 51 3HG1 VAL 51 11.644 6.271 6.256 386 3HG1 VAL 51 2HG1 VAL 51 12.797 6.214 4.923 387 1HG2 VAL 51 3HG2 VAL 51 9.146 4.921 5.258 388 2HG2 VAL 51 2HG2 VAL 51 9.838 3.342 5.625 389 3HG2 VAL 51 1HG2 VAL 51 10.181 4.718 6.671 390 H SER 52 HN SER 52 12.380 2.960 2.314 391 HA SER 52 HA SER 52 14.692 4.545 1.739 392 1HB SER 52 2HB SER 52 15.458 2.627 0.450 393 2HB SER 52 1HB SER 52 14.673 2.048 1.916 394 HG SER 52 HG SER 52 13.735 0.877 0.356 395 H LEU 53 HN LEU 53 11.777 3.831 -0.101 396 HA LEU 53 HA LEU 53 12.702 4.723 -2.661 397 1HB LEU 53 2HB LEU 53 9.917 4.698 -1.459 398 2HB LEU 53 1HB LEU 53 10.262 5.029 -3.157 399 HG LEU 53 HG LEU 53 11.325 2.530 -1.861 400 1HD1 LEU 53 2HD1 LEU 53 8.510 3.177 -2.583 401 2HD1 LEU 53 1HD1 LEU 53 9.119 1.608 -3.113 402 3HD1 LEU 53 3HD1 LEU 53 9.133 2.026 -1.400 403 1HD2 LEU 53 1HD2 LEU 53 12.026 3.377 -4.166 404 2HD2 LEU 53 3HD2 LEU 53 11.390 1.733 -4.121 405 3HD2 LEU 53 2HD2 LEU 53 10.372 3.057 -4.688 406 H GLY 54 HN GLY 54 10.323 6.478 -0.653 407 1HA GLY 54 2HA GLY 54 10.972 8.777 0.170 408 2HA GLY 54 1HA GLY 54 11.732 9.011 -1.406 409 H ILE 55 HN ILE 55 8.561 7.647 -0.483 410 HA ILE 55 HA ILE 55 7.245 9.053 -2.667 411 HB ILE 55 HB ILE 55 6.014 7.578 -0.317 412 1HG1 ILE 55 2HG1 ILE 55 6.292 6.399 -3.055 413 2HG1 ILE 55 1HG1 ILE 55 7.714 6.411 -2.012 414 1HG2 ILE 55 3HG2 ILE 55 4.969 8.519 -2.995 415 2HG2 ILE 55 2HG2 ILE 55 4.156 7.270 -2.052 416 3HG2 ILE 55 1HG2 ILE 55 4.336 8.895 -1.392 417 1HD1 ILE 55 3HD1 ILE 55 6.194 5.407 -0.200 418 2HD1 ILE 55 2HD1 ILE 55 5.040 5.105 -1.499 419 3HD1 ILE 55 1HD1 ILE 55 6.632 4.348 -1.541 420 H ALA 56 HN ALA 56 5.396 10.544 -2.281 421 HA ALA 56 HA ALA 56 5.409 11.990 0.295 422 1HB ALA 56 1HB ALA 56 7.090 12.899 -1.650 423 2HB ALA 56 3HB ALA 56 5.616 13.779 -2.057 424 3HB ALA 56 2HB ALA 56 6.326 13.944 -0.451 425 H LYS 57 HN LYS 57 3.785 14.029 -0.138 426 HA LYS 57 HA LYS 57 1.229 12.842 -0.682 427 1HB LYS 57 2HB LYS 57 0.373 15.182 -0.514 428 2HB LYS 57 1HB LYS 57 1.426 14.747 0.831 429 1HG LYS 57 2HG LYS 57 3.270 15.959 -0.099 430 2HG LYS 57 1HG LYS 57 2.442 16.159 -1.644 431 1HD LYS 57 2HD LYS 57 1.101 17.214 0.810 432 2HD LYS 57 1HD LYS 57 2.471 18.116 0.163 433 1HE LYS 57 2HE LYS 57 1.009 19.059 -1.279 434 2HE LYS 57 1HE LYS 57 0.955 17.499 -2.099 435 1HZ LYS 57 3HZ LYS 57 -0.853 16.844 -0.610 436 2HZ LYS 57 2HZ LYS 57 -0.820 18.382 0.114 437 3HZ LYS 57 1HZ LYS 57 -1.257 18.218 -1.520 438 H GLY 58 HN GLY 58 -0.164 13.146 -2.480 439 1HA GLY 58 2HA GLY 58 -0.719 13.492 -4.736 440 2HA GLY 58 1HA GLY 58 0.513 14.754 -4.769 441 H ALA 59 HN ALA 59 0.221 11.191 -4.730 442 HA ALA 59 HA ALA 59 2.361 11.073 -6.787 443 1HB ALA 59 3HB ALA 59 2.527 10.051 -4.010 444 2HB ALA 59 2HB ALA 59 3.052 8.928 -5.263 445 3HB ALA 59 1HB ALA 59 3.819 10.509 -5.119 446 H GLU 60 HN GLU 60 2.592 8.460 -7.231 447 HA GLU 60 HA GLU 60 -0.184 7.369 -7.425 448 1HB GLU 60 2HB GLU 60 1.887 7.672 -9.601 449 2HB GLU 60 1HB GLU 60 0.607 6.463 -9.715 450 1HG GLU 60 2HG GLU 60 -1.093 8.083 -9.778 451 2HG GLU 60 1HG GLU 60 -0.060 9.331 -9.080 452 H ILE 61 HN ILE 61 -0.304 5.078 -7.346 453 HA ILE 61 HA ILE 61 2.202 3.537 -7.068 454 HB ILE 61 HB ILE 61 1.388 2.554 -4.889 455 1HG1 ILE 61 2HG1 ILE 61 -0.475 4.954 -4.968 456 2HG1 ILE 61 1HG1 ILE 61 -0.983 3.275 -5.141 457 1HG2 ILE 61 2HG2 ILE 61 3.120 4.410 -5.130 458 2HG2 ILE 61 1HG2 ILE 61 1.829 5.545 -4.736 459 3HG2 ILE 61 3HG2 ILE 61 2.315 4.321 -3.563 460 1HD1 ILE 61 1HD1 ILE 61 0.319 2.973 -2.858 461 2HD1 ILE 61 3HD1 ILE 61 0.031 4.707 -2.708 462 3HD1 ILE 61 2HD1 ILE 61 -1.331 3.596 -2.864 463 H THR 62 HN THR 62 1.840 1.240 -7.270 464 HA THR 62 HA THR 62 -0.915 0.503 -8.174 465 HB THR 62 HB THR 62 1.581 -0.675 -9.392 466 HG1 THR 62 HG1 THR 62 1.586 0.918 -10.872 467 1HG2 THR 62 1HG2 THR 62 -0.699 -1.740 -9.662 468 2HG2 THR 62 3HG2 THR 62 -1.200 -0.281 -10.518 469 3HG2 THR 62 2HG2 THR 62 0.090 -1.290 -11.175 470 H ILE 63 HN ILE 63 -1.711 -1.226 -7.091 471 HA ILE 63 HA ILE 63 0.219 -2.956 -5.598 472 HB ILE 63 HB ILE 63 -2.711 -2.403 -5.023 473 1HG1 ILE 63 2HG1 ILE 63 -0.223 -1.494 -3.546 474 2HG1 ILE 63 1HG1 ILE 63 -1.154 -0.473 -4.642 475 1HG2 ILE 63 3HG2 ILE 63 -0.615 -4.141 -3.735 476 2HG2 ILE 63 2HG2 ILE 63 -1.924 -3.463 -2.768 477 3HG2 ILE 63 1HG2 ILE 63 -2.290 -4.532 -4.123 478 1HD1 ILE 63 2HD1 ILE 63 -3.154 -1.359 -3.060 479 2HD1 ILE 63 1HD1 ILE 63 -1.824 -1.415 -1.903 480 3HD1 ILE 63 3HD1 ILE 63 -2.234 0.102 -2.704 481 H SER 64 HN SER 64 -0.102 -5.236 -5.685 482 HA SER 64 HA SER 64 -2.248 -6.294 -7.413 483 1HB SER 64 2HB SER 64 -0.433 -7.633 -8.685 484 2HB SER 64 1HB SER 64 -0.676 -5.947 -9.134 485 HG SER 64 HG SER 64 1.126 -5.391 -7.996 486 H ALA 65 HN ALA 65 -3.065 -7.847 -6.103 487 HA ALA 65 HA ALA 65 -1.261 -9.383 -4.315 488 1HB ALA 65 3HB ALA 65 -3.539 -8.398 -3.604 489 2HB ALA 65 2HB ALA 65 -4.258 -9.696 -4.556 490 3HB ALA 65 1HB ALA 65 -3.228 -10.081 -3.178 491 H SER 66 HN SER 66 -0.721 -11.510 -4.738 492 HA SER 66 HA SER 66 -2.282 -13.036 -6.742 493 1HB SER 66 2HB SER 66 0.209 -11.762 -7.344 494 2HB SER 66 1HB SER 66 0.476 -13.502 -7.335 495 HG SER 66 HG SER 66 -0.793 -13.705 -9.019 496 H GLY 67 HN GLY 67 -2.830 -14.687 -5.349 497 1HA GLY 67 2HA GLY 67 -0.971 -16.720 -4.699 498 2HA GLY 67 1HA GLY 67 -1.159 -15.710 -3.265 499 H ALA 68 HN ALA 68 -2.528 -16.735 -1.894 500 HA ALA 68 HA ALA 68 -4.725 -18.401 -2.942 501 1HB ALA 68 3HB ALA 68 -3.583 -17.875 -0.199 502 2HB ALA 68 2HB ALA 68 -5.123 -18.712 -0.397 503 3HB ALA 68 1HB ALA 68 -3.651 -19.397 -1.087 504 H ASP 69 HN ASP 69 -4.497 -15.753 -0.534 505 HA ASP 69 HA ASP 69 -7.320 -15.049 -1.193 506 1HB ASP 69 2HB ASP 69 -7.186 -13.716 0.953 507 2HB ASP 69 1HB ASP 69 -7.006 -15.456 1.164 508 H GLU 70 HN GLU 70 -5.674 -14.248 -3.157 509 HA GLU 70 HA GLU 70 -4.395 -11.708 -2.789 510 1HB GLU 70 2HB GLU 70 -4.468 -11.551 -5.258 511 2HB GLU 70 1HB GLU 70 -3.910 -13.136 -4.728 512 1HG GLU 70 2HG GLU 70 -6.427 -13.814 -4.908 513 2HG GLU 70 1HG GLU 70 -6.572 -12.373 -5.910 514 H ASN 71 HN ASN 71 -7.693 -12.604 -3.744 515 HA ASN 71 HA ASN 71 -8.548 -9.918 -4.352 516 1HB ASN 71 2HB ASN 71 -9.907 -12.540 -3.862 517 2HB ASN 71 1HB ASN 71 -10.878 -11.067 -3.822 518 1HD2 ASN 71 2HD2 ASN 71 -9.672 -12.538 -7.377 519 2HD2 ASN 71 1HD2 ASN 71 -9.424 -13.374 -5.921 520 H ASP 72 HN ASP 72 -8.634 -11.898 -1.405 521 HA ASP 72 HA ASP 72 -10.155 -9.925 0.103 522 1HB ASP 72 2HB ASP 72 -8.460 -12.209 1.147 523 2HB ASP 72 1HB ASP 72 -9.729 -11.352 2.022 524 H ALA 73 HN ALA 73 -6.802 -10.319 -0.700 525 HA ALA 73 HA ALA 73 -5.824 -8.779 1.590 526 1HB ALA 73 1HB ALA 73 -4.484 -10.549 0.348 527 2HB ALA 73 3HB ALA 73 -4.336 -9.386 -0.971 528 3HB ALA 73 2HB ALA 73 -3.657 -9.013 0.615 529 H LEU 74 HN LEU 74 -6.338 -8.169 -1.895 530 HA LEU 74 HA LEU 74 -5.335 -5.489 -1.844 531 1HB LEU 74 2HB LEU 74 -6.469 -5.214 -4.007 532 2HB LEU 74 1HB LEU 74 -5.626 -6.755 -3.933 533 HG LEU 74 HG LEU 74 -7.989 -7.592 -3.031 534 1HD1 LEU 74 2HD1 LEU 74 -8.611 -4.960 -3.577 535 2HD1 LEU 74 1HD1 LEU 74 -9.105 -5.768 -5.066 536 3HD1 LEU 74 3HD1 LEU 74 -9.784 -6.276 -3.519 537 1HD2 LEU 74 1HD2 LEU 74 -6.995 -7.165 -5.836 538 2HD2 LEU 74 3HD2 LEU 74 -7.103 -8.664 -4.914 539 3HD2 LEU 74 2HD2 LEU 74 -8.564 -7.921 -5.565 540 H ASN 75 HN ASN 75 -8.636 -6.770 -1.410 541 HA ASN 75 HA ASN 75 -9.752 -4.091 -1.103 542 1HB ASN 75 2HB ASN 75 -11.831 -5.281 -0.442 543 2HB ASN 75 1HB ASN 75 -11.177 -5.880 -1.964 544 1HD2 ASN 75 2HD2 ASN 75 -11.948 -8.921 -0.047 545 2HD2 ASN 75 1HD2 ASN 75 -12.792 -7.696 -0.867 546 H ALA 76 HN ALA 76 -8.197 -6.382 0.993 547 HA ALA 76 HA ALA 76 -9.367 -5.477 3.477 548 1HB ALA 76 1HB ALA 76 -6.722 -6.832 2.859 549 2HB ALA 76 3HB ALA 76 -7.309 -6.523 4.493 550 3HB ALA 76 2HB ALA 76 -8.203 -7.604 3.427 551 H LEU 77 HN LEU 77 -6.192 -4.794 1.947 552 HA LEU 77 HA LEU 77 -5.556 -2.642 3.751 553 1HB LEU 77 2HB LEU 77 -4.494 -3.091 0.953 554 2HB LEU 77 1HB LEU 77 -3.723 -2.167 2.241 555 HG LEU 77 HG LEU 77 -4.345 -4.814 3.221 556 1HD1 LEU 77 3HD1 LEU 77 -3.995 -4.990 0.538 557 2HD1 LEU 77 2HD1 LEU 77 -2.318 -5.084 1.075 558 3HD1 LEU 77 1HD1 LEU 77 -3.500 -6.251 1.667 559 1HD2 LEU 77 2HD2 LEU 77 -1.781 -3.301 2.654 560 2HD2 LEU 77 1HD2 LEU 77 -2.630 -3.423 4.195 561 3HD2 LEU 77 3HD2 LEU 77 -1.838 -4.842 3.509 562 H GLU 78 HN GLU 78 -7.322 -2.831 0.710 563 HA GLU 78 HA GLU 78 -7.238 -0.076 -0.012 564 1HB GLU 78 2HB GLU 78 -8.085 -1.871 -1.498 565 2HB GLU 78 1HB GLU 78 -9.489 -2.060 -0.453 566 1HG GLU 78 2HG GLU 78 -9.073 0.729 -1.244 567 2HG GLU 78 1HG GLU 78 -9.297 -0.332 -2.633 568 H GLU 79 HN GLU 79 -9.800 -1.814 1.816 569 HA GLU 79 HA GLU 79 -11.341 0.495 2.433 570 1HB GLU 79 2HB GLU 79 -12.281 -0.881 4.288 571 2HB GLU 79 1HB GLU 79 -12.229 -1.757 2.759 572 1HG GLU 79 2HG GLU 79 -10.198 -2.913 3.432 573 2HG GLU 79 1HG GLU 79 -10.107 -1.961 4.915 574 H THR 80 HN THR 80 -8.495 -0.878 4.011 575 HA THR 80 HA THR 80 -8.624 0.710 6.405 576 HB THR 80 HB THR 80 -6.156 -0.364 5.002 577 HG1 THR 80 HG1 THR 80 -7.944 -1.527 6.865 578 1HG2 THR 80 1HG2 THR 80 -6.022 1.360 6.953 579 2HG2 THR 80 3HG2 THR 80 -6.535 0.008 7.964 580 3HG2 THR 80 2HG2 THR 80 -5.034 -0.098 7.043 581 H MET 81 HN MET 81 -7.348 1.269 3.177 582 HA MET 81 HA MET 81 -5.965 3.731 3.799 583 1HB MET 81 2HB MET 81 -7.023 2.649 1.171 584 2HB MET 81 1HB MET 81 -5.938 4.029 1.329 585 1HG MET 81 2HG MET 81 -5.136 1.487 2.673 586 2HG MET 81 1HG MET 81 -5.010 1.552 0.915 587 1HE MET 81 2HE MET 81 -3.644 2.342 -0.306 588 2HE MET 81 1HE MET 81 -2.489 3.661 -0.130 589 3HE MET 81 3HE MET 81 -2.057 2.026 0.391 590 H LYS 82 HN LYS 82 -9.258 2.880 2.965 591 HA LYS 82 HA LYS 82 -10.053 5.633 2.366 592 1HB LYS 82 2HB LYS 82 -11.595 3.052 2.731 593 2HB LYS 82 1HB LYS 82 -12.375 4.597 2.385 594 1HG LYS 82 2HG LYS 82 -11.076 4.816 0.314 595 2HG LYS 82 1HG LYS 82 -10.235 3.306 0.667 596 1HD LYS 82 2HD LYS 82 -11.878 2.385 -0.620 597 2HD LYS 82 1HD LYS 82 -12.826 2.485 0.863 598 1HE LYS 82 2HE LYS 82 -14.280 3.679 -0.417 599 2HE LYS 82 1HE LYS 82 -13.156 5.009 -0.144 600 1HZ LYS 82 1HZ LYS 82 -13.021 3.112 -2.424 601 2HZ LYS 82 3HZ LYS 82 -13.670 4.677 -2.502 602 3HZ LYS 82 2HZ LYS 82 -12.017 4.461 -2.173 603 H SER 83 HN SER 83 -9.899 3.586 5.192 604 HA SER 83 HA SER 83 -11.749 5.266 6.742 605 1HB SER 83 2HB SER 83 -10.762 3.745 8.640 606 2HB SER 83 1HB SER 83 -11.858 3.046 7.452 607 HG SER 83 HG SER 83 -10.170 1.703 7.381 608 H GLU 84 HN GLU 84 -8.276 4.876 6.314 609 HA GLU 84 HA GLU 84 -7.720 6.784 8.511 610 1HB GLU 84 2HB GLU 84 -5.858 5.261 6.662 611 2HB GLU 84 1HB GLU 84 -5.340 6.287 8.000 612 1HG GLU 84 2HG GLU 84 -7.263 3.995 8.408 613 2HG GLU 84 1HG GLU 84 -5.515 3.768 8.483 614 H GLY 85 HN GLY 85 -8.008 6.717 5.046 615 1HA GLY 85 2HA GLY 85 -8.083 8.580 3.584 616 2HA GLY 85 1HA GLY 85 -7.599 9.615 4.929 617 H LEU 86 HN LEU 86 -5.880 6.694 3.978 618 HA LEU 86 HA LEU 86 -3.395 8.222 3.704 619 1HB LEU 86 2HB LEU 86 -4.059 5.282 3.431 620 2HB LEU 86 1HB LEU 86 -2.434 5.931 3.207 621 HG LEU 86 HG LEU 86 -4.078 6.400 5.706 622 1HD1 LEU 86 1HD1 LEU 86 -2.103 4.234 4.990 623 2HD1 LEU 86 3HD1 LEU 86 -2.386 4.708 6.665 624 3HD1 LEU 86 2HD1 LEU 86 -3.709 4.061 5.695 625 1HD2 LEU 86 3HD2 LEU 86 -1.317 7.060 4.758 626 2HD2 LEU 86 2HD2 LEU 86 -2.423 8.022 5.738 627 3HD2 LEU 86 1HD2 LEU 86 -1.535 6.684 6.468 628 H GLY 87 HN GLY 87 -5.085 5.904 1.553 629 1HA GLY 87 2HA GLY 87 -4.451 7.664 -0.752 630 2HA GLY 87 1HA GLY 87 -3.864 6.001 -0.805 631 H GLU 88 HN GLU 88 -5.782 7.168 -2.630 632 HA GLU 88 HA GLU 88 -8.050 5.303 -2.131 633 1HB GLU 88 2HB GLU 88 -9.610 7.062 -3.032 634 2HB GLU 88 1HB GLU 88 -8.908 7.474 -1.467 635 1HG GLU 88 2HG GLU 88 -7.126 8.770 -2.695 636 2HG GLU 88 1HG GLU 88 -8.034 8.493 -4.183 No H/Q in entry = 636 Start of MODEL 8 1 1H ALA 2 2HT ALA 2 -5.411 -9.795 -9.604 2 2H ALA 2 1HT ALA 2 -6.948 -10.517 -9.691 3 3H ALA 2 3HT ALA 2 -6.730 -8.923 -10.226 4 HA ALA 2 HA ALA 2 -7.768 -8.776 -8.125 5 1HB ALA 2 2HB ALA 2 -5.562 -10.648 -7.210 6 2HB ALA 2 1HB ALA 2 -6.745 -9.890 -6.147 7 3HB ALA 2 3HB ALA 2 -7.273 -11.051 -7.362 8 H GLN 3 HN GLN 3 -6.109 -7.112 -9.574 9 HA GLN 3 HA GLN 3 -4.271 -5.998 -7.490 10 1HB GLN 3 2HB GLN 3 -3.120 -4.873 -9.454 11 2HB GLN 3 1HB GLN 3 -2.951 -6.625 -9.398 12 1HG GLN 3 2HG GLN 3 -4.777 -6.869 -11.027 13 2HG GLN 3 1HG GLN 3 -4.994 -5.119 -11.060 14 1HE2 GLN 3 2HE2 GLN 3 -1.646 -4.717 -12.626 15 2HE2 GLN 3 1HE2 GLN 3 -2.422 -4.132 -11.234 16 H LYS 4 HN LYS 4 -4.312 -3.708 -7.201 17 HA LYS 4 HA LYS 4 -6.466 -2.222 -8.610 18 1HB LYS 4 2HB LYS 4 -6.487 -3.050 -5.785 19 2HB LYS 4 1HB LYS 4 -6.755 -1.322 -6.011 20 1HG LYS 4 2HG LYS 4 -8.758 -1.632 -7.084 21 2HG LYS 4 1HG LYS 4 -8.239 -3.141 -7.838 22 1HD LYS 4 2HD LYS 4 -8.366 -4.225 -5.563 23 2HD LYS 4 1HD LYS 4 -9.099 -2.739 -4.961 24 1HE LYS 4 2HE LYS 4 -10.432 -3.603 -7.388 25 2HE LYS 4 1HE LYS 4 -10.423 -4.899 -6.193 26 1HZ LYS 4 3HZ LYS 4 -11.194 -2.123 -5.518 27 2HZ LYS 4 2HZ LYS 4 -12.319 -3.276 -6.056 28 3HZ LYS 4 1HZ LYS 4 -11.461 -3.532 -4.612 29 H THR 5 HN THR 5 -6.013 -0.038 -8.841 30 HA THR 5 HA THR 5 -3.290 0.812 -8.006 31 HB THR 5 HB THR 5 -5.241 2.209 -9.865 32 HG1 THR 5 HG1 THR 5 -4.661 0.186 -10.683 33 1HG2 THR 5 3HG2 THR 5 -3.454 3.620 -8.885 34 2HG2 THR 5 2HG2 THR 5 -2.245 2.487 -9.492 35 3HG2 THR 5 1HG2 THR 5 -3.240 3.404 -10.623 36 H PHE 6 HN PHE 6 -2.982 2.632 -6.689 37 HA PHE 6 HA PHE 6 -5.462 3.870 -5.561 38 1HB PHE 6 2HB PHE 6 -2.950 3.030 -4.087 39 2HB PHE 6 1HB PHE 6 -4.253 3.981 -3.374 40 HD1 PHE 6 1HD PHE 6 -3.660 0.773 -5.224 41 HD2 PHE 6 2HD PHE 6 -6.055 2.893 -2.359 42 HE1 PHE 6 1HE PHE 6 -4.923 -1.307 -4.740 43 HE2 PHE 6 2HE PHE 6 -7.317 0.814 -1.876 44 HZ PHE 6 HZ PHE 6 -6.752 -1.287 -3.065 45 H LYS 7 HN LYS 7 -4.787 5.973 -4.316 46 HA LYS 7 HA LYS 7 -2.592 7.368 -5.785 47 1HB LYS 7 2HB LYS 7 -5.268 7.786 -6.332 48 2HB LYS 7 1HB LYS 7 -4.925 9.057 -5.159 49 1HG LYS 7 2HG LYS 7 -3.066 8.559 -7.481 50 2HG LYS 7 1HG LYS 7 -4.501 9.568 -7.671 51 1HD LYS 7 2HD LYS 7 -3.701 10.886 -5.648 52 2HD LYS 7 1HD LYS 7 -2.180 10.002 -5.780 53 1HE LYS 7 2HE LYS 7 -1.769 11.951 -7.033 54 2HE LYS 7 1HE LYS 7 -2.209 10.769 -8.265 55 1HZ LYS 7 3HZ LYS 7 -4.498 11.601 -8.150 56 2HZ LYS 7 2HZ LYS 7 -4.008 12.789 -7.038 57 3HZ LYS 7 1HZ LYS 7 -3.405 12.806 -8.627 58 H VAL 8 HN VAL 8 -1.232 8.293 -4.367 59 HA VAL 8 HA VAL 8 -2.000 8.537 -1.531 60 HB VAL 8 HB VAL 8 0.651 9.300 -2.781 61 1HG1 VAL 8 1HG1 VAL 8 0.118 9.994 -0.421 62 2HG1 VAL 8 3HG1 VAL 8 -0.044 8.286 -0.010 63 3HG1 VAL 8 2HG1 VAL 8 1.511 8.921 -0.551 64 1HG2 VAL 8 2HG2 VAL 8 -0.051 6.939 -3.371 65 2HG2 VAL 8 1HG2 VAL 8 1.421 7.040 -2.404 66 3HG2 VAL 8 3HG2 VAL 8 -0.106 6.591 -1.643 67 H THR 9 HN THR 9 -2.777 10.418 -0.721 68 HA THR 9 HA THR 9 -1.894 12.980 -1.960 69 HB THR 9 HB THR 9 -4.734 12.742 -1.059 70 HG1 THR 9 HG1 THR 9 -3.824 11.946 -3.621 71 1HG2 THR 9 3HG2 THR 9 -3.525 14.863 -1.860 72 2HG2 THR 9 2HG2 THR 9 -3.563 14.138 -3.467 73 3HG2 THR 9 1HG2 THR 9 -5.071 14.494 -2.624 74 H ALA 10 HN ALA 10 -1.733 11.264 0.759 75 HA ALA 10 HA ALA 10 -2.761 13.156 2.712 76 1HB ALA 10 1HB ALA 10 -1.033 10.688 2.872 77 2HB ALA 10 3HB ALA 10 -1.324 11.699 4.287 78 3HB ALA 10 2HB ALA 10 -2.676 10.914 3.471 79 H ASP 11 HN ASP 11 -1.515 14.597 3.983 80 HA ASP 11 HA ASP 11 0.687 15.879 2.690 81 1HB ASP 11 2HB ASP 11 -0.929 16.755 4.550 82 2HB ASP 11 1HB ASP 11 0.246 16.051 5.662 83 H SER 12 HN SER 12 0.517 13.293 5.065 84 HA SER 12 HA SER 12 3.387 13.352 5.640 85 1HB SER 12 2HB SER 12 2.929 11.315 6.939 86 2HB SER 12 1HB SER 12 1.740 12.558 7.319 87 HG SER 12 HG SER 12 0.809 10.483 6.907 88 H GLY 13 HN GLY 13 1.218 11.660 3.452 89 1HA GLY 13 2HA GLY 13 1.795 10.490 1.476 90 2HA GLY 13 1HA GLY 13 3.499 10.719 1.877 91 H ILE 14 HN ILE 14 3.902 8.467 1.388 92 HA ILE 14 HA ILE 14 2.723 6.537 3.338 93 HB ILE 14 HB ILE 14 4.218 5.969 0.758 94 1HG1 ILE 14 2HG1 ILE 14 1.242 5.830 1.344 95 2HG1 ILE 14 1HG1 ILE 14 2.018 7.129 0.439 96 1HG2 ILE 14 2HG2 ILE 14 4.275 4.189 2.534 97 2HG2 ILE 14 1HG2 ILE 14 2.512 4.156 2.494 98 3HG2 ILE 14 3HG2 ILE 14 3.435 3.690 1.066 99 1HD1 ILE 14 1HD1 ILE 14 2.458 4.277 -0.394 100 2HD1 ILE 14 3HD1 ILE 14 0.971 5.102 -0.862 101 3HD1 ILE 14 2HD1 ILE 14 2.534 5.743 -1.370 102 1HN HIP 15 HN HIP 15 4.221 7.345 4.999 103 HA HIP 15 HA HIP 15 7.046 6.581 4.548 104 1HB HIP 15 1HB HIP 15 6.657 8.887 5.337 105 2HB HIP 15 2HB HIP 15 7.603 7.958 6.477 106 HD2 HIP 15 2HD HIP 15 3.695 8.677 6.206 107 HE2 HIP 15 2HE HIP 15 2.926 9.183 8.634 108 HE1 HIP 15 1HE HIP 15 4.887 9.036 10.225 109 H ALA 16 HN ALA 16 7.635 6.229 7.387 110 HA ALA 16 HA ALA 16 7.199 3.435 7.573 111 1HB ALA 16 2HB ALA 16 8.812 5.227 8.848 112 2HB ALA 16 1HB ALA 16 7.684 4.800 10.136 113 3HB ALA 16 3HB ALA 16 8.617 3.540 9.323 114 H ARG 17 HN ARG 17 5.523 6.036 9.441 115 HA ARG 17 HA ARG 17 3.989 4.381 11.096 116 1HB ARG 17 2HB ARG 17 4.050 7.083 10.615 117 2HB ARG 17 1HB ARG 17 2.437 6.650 10.054 118 1HG ARG 17 2HG ARG 17 2.030 7.014 12.314 119 2HG ARG 17 1HG ARG 17 2.358 5.281 12.311 120 1HD ARG 17 2HD ARG 17 4.754 5.784 12.831 121 2HD ARG 17 1HD ARG 17 4.327 7.490 12.971 122 HE ARG 17 HE ARG 17 3.839 5.464 14.974 123 1HH1 ARG 17 HH21 ARG 17 1.095 6.460 14.094 124 2HH1 ARG 17 HH22 ARG 17 0.840 7.762 15.207 125 1HH2 ARG 17 HH11 ARG 17 4.167 7.950 16.160 126 2HH2 ARG 17 HH12 ARG 17 2.579 8.606 16.376 127 HA PRO 18 HA PRO 18 0.511 3.972 7.852 128 1HB PRO 18 2HB PRO 18 1.070 4.679 5.248 129 2HB PRO 18 1HB PRO 18 0.308 5.763 6.425 130 1HG PRO 18 2HG PRO 18 3.130 5.740 5.436 131 2HG PRO 18 1HG PRO 18 2.144 7.106 5.986 132 1HD PRO 18 2HD PRO 18 4.124 5.865 7.509 133 2HD PRO 18 1HD PRO 18 2.815 6.857 8.170 134 H ALA 19 HN ALA 19 3.854 3.392 7.000 135 HA ALA 19 HA ALA 19 3.339 1.108 5.275 136 1HB ALA 19 3HB ALA 19 5.789 2.207 6.654 137 2HB ALA 19 2HB ALA 19 5.833 0.666 5.800 138 3HB ALA 19 1HB ALA 19 5.437 2.144 4.926 139 H THR 20 HN THR 20 3.450 1.627 8.706 140 HA THR 20 HA THR 20 3.981 -1.185 9.361 141 HB THR 20 HB THR 20 2.849 0.751 11.343 142 HG1 THR 20 HG1 THR 20 4.551 1.997 11.293 143 1HG2 THR 20 3HG2 THR 20 3.500 -1.605 11.910 144 2HG2 THR 20 2HG2 THR 20 5.163 -1.199 11.487 145 3HG2 THR 20 1HG2 THR 20 4.375 -0.388 12.840 146 H VAL 21 HN VAL 21 1.253 1.012 9.038 147 HA VAL 21 HA VAL 21 -0.717 -0.783 10.189 148 HB VAL 21 HB VAL 21 -1.178 1.441 8.210 149 1HG1 VAL 21 1HG1 VAL 21 -2.994 -0.303 8.952 150 2HG1 VAL 21 3HG1 VAL 21 -3.004 0.623 10.452 151 3HG1 VAL 21 2HG1 VAL 21 -3.405 1.412 8.927 152 1HG2 VAL 21 3HG2 VAL 21 -0.851 1.522 11.223 153 2HG2 VAL 21 2HG2 VAL 21 0.113 2.383 10.024 154 3HG2 VAL 21 1HG2 VAL 21 -1.570 2.836 10.291 155 H LEU 22 HN LEU 22 0.540 -0.122 6.988 156 HA LEU 22 HA LEU 22 -1.392 -1.777 5.594 157 1HB LEU 22 2HB LEU 22 1.270 -0.589 4.782 158 2HB LEU 22 1HB LEU 22 0.184 -1.428 3.673 159 HG LEU 22 HG LEU 22 -0.622 0.974 5.340 160 1HD1 LEU 22 2HD1 LEU 22 0.591 0.695 2.610 161 2HD1 LEU 22 1HD1 LEU 22 -0.645 1.932 2.853 162 3HD1 LEU 22 3HD1 LEU 22 0.832 1.960 3.818 163 1HD2 LEU 22 1HD2 LEU 22 -1.932 -0.645 3.139 164 2HD2 LEU 22 3HD2 LEU 22 -2.548 -0.317 4.760 165 3HD2 LEU 22 2HD2 LEU 22 -2.478 0.978 3.563 166 H VAL 23 HN VAL 23 2.008 -2.210 6.612 167 HA VAL 23 HA VAL 23 2.338 -4.809 5.463 168 HB VAL 23 HB VAL 23 4.244 -3.450 6.257 169 1HG1 VAL 23 2HG1 VAL 23 3.020 -2.568 8.284 170 2HG1 VAL 23 1HG1 VAL 23 3.306 -4.127 9.057 171 3HG1 VAL 23 3HG1 VAL 23 4.669 -3.104 8.601 172 1HG2 VAL 23 1HG2 VAL 23 4.010 -6.157 6.410 173 2HG2 VAL 23 3HG2 VAL 23 5.501 -5.290 6.776 174 3HG2 VAL 23 2HG2 VAL 23 4.425 -5.785 8.083 175 H GLN 24 HN GLN 24 0.798 -3.719 8.416 176 HA GLN 24 HA GLN 24 0.715 -6.279 9.742 177 1HB GLN 24 2HB GLN 24 -0.814 -3.699 10.034 178 2HB GLN 24 1HB GLN 24 -1.280 -5.128 10.953 179 1HG GLN 24 2HG GLN 24 1.573 -4.820 11.132 180 2HG GLN 24 1HG GLN 24 0.817 -3.279 11.531 181 1HE2 GLN 24 2HE2 GLN 24 0.979 -5.639 14.541 182 2HE2 GLN 24 1HE2 GLN 24 2.153 -5.239 13.382 183 H THR 25 HN THR 25 -1.685 -4.509 7.761 184 HA THR 25 HA THR 25 -3.723 -6.504 7.877 185 HB THR 25 HB THR 25 -3.290 -4.774 5.451 186 HG1 THR 25 HG1 THR 25 -3.358 -3.091 6.674 187 1HG2 THR 25 1HG2 THR 25 -5.250 -6.490 5.973 188 2HG2 THR 25 3HG2 THR 25 -5.868 -5.136 6.920 189 3HG2 THR 25 2HG2 THR 25 -5.581 -4.943 5.191 190 H ALA 26 HN ALA 26 -1.409 -5.847 5.222 191 HA ALA 26 HA ALA 26 -2.033 -8.116 3.654 192 1HB ALA 26 3HB ALA 26 -0.586 -6.141 2.990 193 2HB ALA 26 2HB ALA 26 0.721 -6.891 3.907 194 3HB ALA 26 1HB ALA 26 0.038 -7.719 2.508 195 H SER 27 HN SER 27 -0.194 -7.884 6.610 196 HA SER 27 HA SER 27 1.425 -10.213 6.386 197 1HB SER 27 2HB SER 27 1.602 -8.529 8.221 198 2HB SER 27 1HB SER 27 0.085 -9.131 8.884 199 HG SER 27 HG SER 27 1.066 -11.136 9.176 200 H LYS 28 HN LYS 28 -1.939 -9.816 7.468 201 HA LYS 28 HA LYS 28 -2.358 -12.540 8.254 202 1HB LYS 28 2HB LYS 28 -4.179 -10.287 7.425 203 2HB LYS 28 1HB LYS 28 -4.828 -11.902 7.713 204 1HG LYS 28 2HG LYS 28 -4.222 -11.884 9.979 205 2HG LYS 28 1HG LYS 28 -3.021 -10.614 9.744 206 1HD LYS 28 2HD LYS 28 -4.703 -8.937 9.478 207 2HD LYS 28 1HD LYS 28 -5.979 -10.146 9.326 208 1HE LYS 28 2HE LYS 28 -6.206 -9.431 11.553 209 2HE LYS 28 1HE LYS 28 -5.232 -10.893 11.709 210 1HZ LYS 28 1HZ LYS 28 -4.094 -8.161 11.502 211 2HZ LYS 28 3HZ LYS 28 -4.374 -8.958 12.973 212 3HZ LYS 28 2HZ LYS 28 -3.260 -9.597 11.861 213 H TYR 29 HN TYR 29 -2.504 -10.890 5.146 214 HA TYR 29 HA TYR 29 -3.563 -13.323 3.824 215 1HB TYR 29 2HB TYR 29 -2.778 -10.672 2.565 216 2HB TYR 29 1HB TYR 29 -3.750 -11.950 1.835 217 HD1 TYR 29 2HD TYR 29 -5.933 -12.629 3.075 218 HD2 TYR 29 1HD TYR 29 -3.829 -8.952 3.781 219 HE1 TYR 29 2HE TYR 29 -7.981 -11.648 4.070 220 HE2 TYR 29 1HE TYR 29 -5.876 -7.972 4.777 221 HH TYR 29 HH TYR 29 -8.014 -8.987 5.958 222 H ASP 30 HN ASP 30 -2.257 -14.738 2.756 223 HA ASP 30 HA ASP 30 0.651 -14.164 2.709 224 1HB ASP 30 2HB ASP 30 -0.964 -16.686 2.269 225 2HB ASP 30 1HB ASP 30 0.784 -16.609 2.036 226 H ALA 31 HN ALA 31 -1.656 -13.277 0.681 227 HA ALA 31 HA ALA 31 -0.894 -14.455 -1.835 228 1HB ALA 31 2HB ALA 31 -2.518 -12.101 -0.962 229 2HB ALA 31 1HB ALA 31 -1.972 -12.153 -2.639 230 3HB ALA 31 3HB ALA 31 -2.975 -13.455 -1.996 231 H ASP 32 HN ASP 32 0.038 -13.021 -3.631 232 HA ASP 32 HA ASP 32 2.538 -11.804 -2.626 233 1HB ASP 32 2HB ASP 32 1.580 -12.507 -5.418 234 2HB ASP 32 1HB ASP 32 3.141 -11.763 -5.071 235 H VAL 33 HN VAL 33 1.299 -9.938 -1.732 236 HA VAL 33 HA VAL 33 0.142 -8.071 -3.709 237 HB VAL 33 HB VAL 33 -0.307 -6.664 -1.672 238 1HG1 VAL 33 1HG1 VAL 33 -1.361 -9.355 -2.238 239 2HG1 VAL 33 3HG1 VAL 33 -1.667 -8.809 -0.588 240 3HG1 VAL 33 2HG1 VAL 33 -2.224 -7.845 -1.955 241 1HG2 VAL 33 3HG2 VAL 33 1.681 -8.292 -0.544 242 2HG2 VAL 33 2HG2 VAL 33 0.666 -7.133 0.315 243 3HG2 VAL 33 1HG2 VAL 33 0.187 -8.827 0.223 244 H ASN 34 HN ASN 34 2.020 -7.495 -4.900 245 HA ASN 34 HA ASN 34 4.217 -6.152 -3.415 246 1HB ASN 34 2HB ASN 34 3.924 -7.052 -6.292 247 2HB ASN 34 1HB ASN 34 5.302 -6.117 -5.708 248 1HD2 ASN 34 2HD2 ASN 34 5.457 -10.039 -5.249 249 2HD2 ASN 34 1HD2 ASN 34 4.524 -9.220 -6.407 250 H LEU 35 HN LEU 35 4.202 -3.978 -3.239 251 HA LEU 35 HA LEU 35 2.299 -2.394 -4.855 252 1HB LEU 35 2HB LEU 35 2.534 -2.012 -2.392 253 2HB LEU 35 1HB LEU 35 4.199 -1.498 -2.663 254 HG LEU 35 HG LEU 35 2.049 -0.191 -4.276 255 1HD1 LEU 35 1HD1 LEU 35 1.152 -0.177 -1.977 256 2HD1 LEU 35 3HD1 LEU 35 2.671 0.498 -1.389 257 3HD1 LEU 35 2HD1 LEU 35 1.647 1.442 -2.472 258 1HD2 LEU 35 2HD2 LEU 35 4.789 0.408 -3.235 259 2HD2 LEU 35 1HD2 LEU 35 4.125 0.662 -4.849 260 3HD2 LEU 35 3HD2 LEU 35 3.702 1.764 -3.539 261 H GLU 36 HN GLU 36 3.073 -1.896 -6.867 262 HA GLU 36 HA GLU 36 5.953 -1.421 -7.290 263 1HB GLU 36 2HB GLU 36 4.608 -2.747 -8.923 264 2HB GLU 36 1HB GLU 36 3.644 -1.309 -9.258 265 1HG GLU 36 2HG GLU 36 5.897 -0.157 -9.793 266 2HG GLU 36 1HG GLU 36 6.560 -1.790 -9.864 267 H TYR 37 HN TYR 37 6.808 0.591 -7.177 268 HA TYR 37 HA TYR 37 4.955 2.923 -7.343 269 1HB TYR 37 2HB TYR 37 6.218 2.728 -5.233 270 2HB TYR 37 1HB TYR 37 7.732 2.710 -6.130 271 HD1 TYR 37 1HD TYR 37 4.747 4.852 -6.864 272 HD2 TYR 37 2HD TYR 37 8.756 4.696 -5.320 273 HE1 TYR 37 1HE TYR 37 4.827 7.329 -6.812 274 HE2 TYR 37 2HE TYR 37 8.832 7.172 -5.272 275 HH TYR 37 HH TYR 37 6.169 9.097 -5.446 276 H ASN 38 HN ASN 38 5.114 2.522 -9.757 277 HA ASN 38 HA ASN 38 5.977 3.034 -11.879 278 1HB ASN 38 2HB ASN 38 5.598 5.291 -10.712 279 2HB ASN 38 1HB ASN 38 7.347 5.333 -10.489 280 1HD2 ASN 38 2HD2 ASN 38 7.754 6.639 -13.726 281 2HD2 ASN 38 1HD2 ASN 38 8.200 6.675 -12.088 282 H GLY 39 HN GLY 39 7.444 1.198 -12.009 283 1HA GLY 39 2HA GLY 39 9.603 0.599 -12.854 284 2HA GLY 39 1HA GLY 39 10.258 2.060 -12.127 285 H LYS 40 HN LYS 40 9.198 1.669 -9.475 286 HA LYS 40 HA LYS 40 11.113 -0.384 -8.556 287 1HB LYS 40 2HB LYS 40 9.621 1.882 -7.292 288 2HB LYS 40 1HB LYS 40 10.158 0.556 -6.259 289 1HG LYS 40 2HG LYS 40 11.936 2.161 -6.262 290 2HG LYS 40 1HG LYS 40 12.463 0.839 -7.304 291 1HD LYS 40 2HD LYS 40 10.941 2.994 -8.657 292 2HD LYS 40 1HD LYS 40 12.530 3.456 -8.049 293 1HE LYS 40 2HE LYS 40 12.218 0.900 -9.600 294 2HE LYS 40 1HE LYS 40 12.327 2.437 -10.459 295 1HZ LYS 40 3HZ LYS 40 14.291 1.444 -8.464 296 2HZ LYS 40 2HZ LYS 40 14.500 1.406 -10.150 297 3HZ LYS 40 1HZ LYS 40 14.401 2.895 -9.335 298 H THR 41 HN THR 41 10.435 -1.996 -6.936 299 HA THR 41 HA THR 41 7.541 -2.602 -6.832 300 HB THR 41 HB THR 41 9.463 -4.774 -7.661 301 HG1 THR 41 HG1 THR 41 7.833 -3.232 -9.387 302 1HG2 THR 41 2HG2 THR 41 7.193 -5.294 -6.685 303 2HG2 THR 41 1HG2 THR 41 6.477 -4.462 -8.067 304 3HG2 THR 41 3HG2 THR 41 7.441 -5.917 -8.317 305 H VAL 42 HN VAL 42 7.870 -2.100 -4.570 306 HA VAL 42 HA VAL 42 9.583 -4.034 -3.084 307 HB VAL 42 HB VAL 42 8.760 -2.527 -1.075 308 1HG1 VAL 42 3HG1 VAL 42 10.973 -2.307 -2.990 309 2HG1 VAL 42 2HG1 VAL 42 10.669 -0.820 -2.092 310 3HG1 VAL 42 1HG1 VAL 42 10.996 -2.321 -1.226 311 1HG2 VAL 42 1HG2 VAL 42 7.173 -1.206 -2.490 312 2HG2 VAL 42 3HG2 VAL 42 8.378 -0.197 -1.690 313 3HG2 VAL 42 2HG2 VAL 42 8.549 -0.586 -3.402 314 H ASN 43 HN ASN 43 8.697 -5.393 -1.520 315 HA ASN 43 HA ASN 43 5.912 -6.149 -1.948 316 1HB ASN 43 2HB ASN 43 8.099 -7.547 -1.183 317 2HB ASN 43 1HB ASN 43 7.431 -7.176 0.406 318 1HD2 ASN 43 2HD2 ASN 43 4.302 -8.968 -0.423 319 2HD2 ASN 43 1HD2 ASN 43 4.737 -7.449 0.184 320 H LEU 44 HN LEU 44 4.176 -5.655 -0.550 321 HA LEU 44 HA LEU 44 4.347 -3.313 1.040 322 1HB LEU 44 2HB LEU 44 2.235 -4.306 0.098 323 2HB LEU 44 1HB LEU 44 2.287 -5.486 1.413 324 HG LEU 44 HG LEU 44 2.622 -3.302 2.888 325 1HD1 LEU 44 2HD1 LEU 44 1.328 -2.332 0.356 326 2HD1 LEU 44 1HD1 LEU 44 1.094 -1.511 1.902 327 3HD1 LEU 44 3HD1 LEU 44 2.716 -1.658 1.218 328 1HD2 LEU 44 3HD2 LEU 44 0.180 -4.631 1.835 329 2HD2 LEU 44 2HD2 LEU 44 0.828 -4.586 3.476 330 3HD2 LEU 44 1HD2 LEU 44 -0.017 -3.183 2.821 331 H LYS 45 HN LYS 45 5.324 -6.527 1.837 332 HA LYS 45 HA LYS 45 5.082 -6.070 4.736 333 1HB LYS 45 2HB LYS 45 6.215 -8.329 3.063 334 2HB LYS 45 1HB LYS 45 6.348 -8.292 4.821 335 1HG LYS 45 2HG LYS 45 4.380 -9.522 4.498 336 2HG LYS 45 1HG LYS 45 3.766 -7.891 4.760 337 1HD LYS 45 2HD LYS 45 2.866 -7.819 2.694 338 2HD LYS 45 1HD LYS 45 4.394 -8.293 1.955 339 1HE LYS 45 2HE LYS 45 2.878 -10.028 1.378 340 2HE LYS 45 1HE LYS 45 3.829 -10.685 2.711 341 1HZ LYS 45 3HZ LYS 45 1.275 -9.275 3.179 342 2HZ LYS 45 2HZ LYS 45 1.318 -10.936 2.825 343 3HZ LYS 45 1HZ LYS 45 2.099 -10.339 4.211 344 H SER 46 HN SER 46 6.546 -4.015 3.636 345 HA SER 46 HA SER 46 9.214 -4.495 4.809 346 1HB SER 46 2HB SER 46 9.512 -5.098 2.424 347 2HB SER 46 1HB SER 46 8.873 -3.528 1.945 348 HG SER 46 HG SER 46 11.350 -4.225 2.885 349 H ILE 47 HN ILE 47 8.637 -2.952 6.372 350 HA ILE 47 HA ILE 47 7.521 -0.372 5.705 351 HB ILE 47 HB ILE 47 9.037 -1.144 8.207 352 1HG1 ILE 47 2HG1 ILE 47 6.113 -1.502 7.447 353 2HG1 ILE 47 1HG1 ILE 47 7.271 -2.780 7.795 354 1HG2 ILE 47 3HG2 ILE 47 8.566 1.290 7.801 355 2HG2 ILE 47 2HG2 ILE 47 6.847 0.903 7.731 356 3HG2 ILE 47 1HG2 ILE 47 7.748 0.653 9.226 357 1HD1 ILE 47 2HD1 ILE 47 7.538 -1.549 10.099 358 2HD1 ILE 47 1HD1 ILE 47 5.966 -0.859 9.696 359 3HD1 ILE 47 3HD1 ILE 47 6.152 -2.608 9.835 360 H MET 48 HN MET 48 10.804 -1.562 6.312 361 HA MET 48 HA MET 48 12.044 1.053 6.162 362 1HB MET 48 2HB MET 48 13.052 -0.980 7.269 363 2HB MET 48 1HB MET 48 13.333 -1.643 5.660 364 1HG MET 48 2HG MET 48 14.276 1.139 6.178 365 2HG MET 48 1HG MET 48 15.184 -0.175 6.923 366 1HE MET 48 2HE MET 48 15.915 -2.016 6.042 367 2HE MET 48 1HE MET 48 15.554 -2.638 4.434 368 3HE MET 48 3HE MET 48 17.101 -1.841 4.751 369 H GLY 49 HN GLY 49 11.132 -1.397 3.821 370 1HA GLY 49 2HA GLY 49 12.750 -0.353 1.650 371 2HA GLY 49 1HA GLY 49 11.414 -1.492 1.486 372 H VAL 50 HN VAL 50 9.562 0.354 2.939 373 HA VAL 50 HA VAL 50 8.648 1.842 0.615 374 HB VAL 50 HB VAL 50 7.681 1.980 3.489 375 1HG1 VAL 50 3HG1 VAL 50 6.588 2.937 0.844 376 2HG1 VAL 50 2HG1 VAL 50 5.516 2.597 2.203 377 3HG1 VAL 50 1HG1 VAL 50 6.762 3.837 2.352 378 1HG2 VAL 50 2HG2 VAL 50 7.706 -0.265 1.969 379 2HG2 VAL 50 1HG2 VAL 50 6.419 0.100 3.116 380 3HG2 VAL 50 3HG2 VAL 50 6.203 0.461 1.404 381 H VAL 51 HN VAL 51 10.572 2.584 3.445 382 HA VAL 51 HA VAL 51 10.271 5.477 3.195 383 HB VAL 51 HB VAL 51 12.372 3.892 4.702 384 1HG1 VAL 51 3HG1 VAL 51 11.467 6.768 4.701 385 2HG1 VAL 51 2HG1 VAL 51 12.222 6.060 6.129 386 3HG1 VAL 51 1HG1 VAL 51 13.108 6.130 4.606 387 1HG2 VAL 51 1HG2 VAL 51 9.517 4.547 5.257 388 2HG2 VAL 51 3HG2 VAL 51 10.471 3.159 5.778 389 3HG2 VAL 51 2HG2 VAL 51 10.649 4.709 6.599 390 H SER 52 HN SER 52 12.415 3.023 1.903 391 HA SER 52 HA SER 52 14.559 4.787 1.127 392 1HB SER 52 2HB SER 52 15.145 2.916 -0.461 393 2HB SER 52 1HB SER 52 14.973 2.408 1.217 394 HG SER 52 HG SER 52 13.359 1.910 -0.999 395 H LEU 53 HN LEU 53 11.537 3.786 -0.411 396 HA LEU 53 HA LEU 53 12.078 4.829 -3.022 397 1HB LEU 53 2HB LEU 53 9.459 4.489 -1.531 398 2HB LEU 53 1HB LEU 53 9.580 4.891 -3.244 399 HG LEU 53 HG LEU 53 11.072 2.507 -2.201 400 1HD1 LEU 53 3HD1 LEU 53 8.130 2.828 -2.344 401 2HD1 LEU 53 2HD1 LEU 53 8.767 1.384 -3.132 402 3HD1 LEU 53 1HD1 LEU 53 9.094 1.673 -1.424 403 1HD2 LEU 53 3HD2 LEU 53 11.095 3.594 -4.605 404 2HD2 LEU 53 2HD2 LEU 53 11.045 1.839 -4.439 405 3HD2 LEU 53 1HD2 LEU 53 9.566 2.734 -4.792 406 H GLY 54 HN GLY 54 10.513 6.298 -0.170 407 1HA GLY 54 2HA GLY 54 10.573 8.589 0.462 408 2HA GLY 54 1HA GLY 54 11.399 8.957 -1.054 409 H ILE 55 HN ILE 55 8.214 7.649 -0.051 410 HA ILE 55 HA ILE 55 6.950 9.012 -2.348 411 HB ILE 55 HB ILE 55 5.546 7.434 -0.177 412 1HG1 ILE 55 2HG1 ILE 55 6.678 6.337 -2.771 413 2HG1 ILE 55 1HG1 ILE 55 7.450 6.123 -1.199 414 1HG2 ILE 55 1HG2 ILE 55 4.367 8.899 -1.987 415 2HG2 ILE 55 3HG2 ILE 55 4.834 7.609 -3.097 416 3HG2 ILE 55 2HG2 ILE 55 3.788 7.255 -1.722 417 1HD1 ILE 55 1HD1 ILE 55 4.579 5.325 -1.704 418 2HD1 ILE 55 3HD1 ILE 55 5.924 4.217 -1.976 419 3HD1 ILE 55 2HD1 ILE 55 5.618 4.851 -0.359 420 H ALA 56 HN ALA 56 5.340 10.638 -2.100 421 HA ALA 56 HA ALA 56 4.861 11.728 0.605 422 1HB ALA 56 2HB ALA 56 6.785 12.838 -1.250 423 2HB ALA 56 1HB ALA 56 5.492 14.000 -0.949 424 3HB ALA 56 3HB ALA 56 6.420 13.342 0.400 425 H LYS 57 HN LYS 57 3.636 14.082 -0.053 426 HA LYS 57 HA LYS 57 1.090 13.239 -1.055 427 1HB LYS 57 2HB LYS 57 1.890 15.341 0.415 428 2HB LYS 57 1HB LYS 57 1.791 16.117 -1.162 429 1HG LYS 57 2HG LYS 57 -0.521 15.332 -1.431 430 2HG LYS 57 1HG LYS 57 -0.433 14.518 0.131 431 1HD LYS 57 2HD LYS 57 -0.713 16.450 1.297 432 2HD LYS 57 1HD LYS 57 0.336 17.367 0.215 433 1HE LYS 57 2HE LYS 57 -2.312 16.472 -0.843 434 2HE LYS 57 1HE LYS 57 -2.292 17.814 0.302 435 1HZ LYS 57 1HZ LYS 57 -0.437 18.722 -1.192 436 2HZ LYS 57 3HZ LYS 57 -1.019 17.630 -2.353 437 3HZ LYS 57 2HZ LYS 57 -2.042 18.841 -1.739 438 H GLY 58 HN GLY 58 0.343 13.132 -3.121 439 1HA GLY 58 2HA GLY 58 0.125 13.798 -5.409 440 2HA GLY 58 1HA GLY 58 1.574 14.789 -5.233 441 H ALA 59 HN ALA 59 0.836 11.311 -4.787 442 HA ALA 59 HA ALA 59 2.924 10.667 -6.803 443 1HB ALA 59 1HB ALA 59 2.909 9.774 -3.914 444 2HB ALA 59 3HB ALA 59 3.767 8.874 -5.166 445 3HB ALA 59 2HB ALA 59 4.222 10.541 -4.810 446 H GLU 60 HN GLU 60 2.447 8.794 -7.949 447 HA GLU 60 HA GLU 60 -0.189 7.552 -7.371 448 1HB GLU 60 2HB GLU 60 1.634 7.633 -9.772 449 2HB GLU 60 1HB GLU 60 0.364 6.415 -9.656 450 1HG GLU 60 2HG GLU 60 -1.352 8.016 -9.678 451 2HG GLU 60 1HG GLU 60 -0.271 9.319 -9.180 452 H ILE 61 HN ILE 61 -0.401 5.309 -7.009 453 HA ILE 61 HA ILE 61 2.121 3.737 -6.780 454 HB ILE 61 HB ILE 61 1.266 2.784 -4.627 455 1HG1 ILE 61 2HG1 ILE 61 -0.715 5.079 -4.801 456 2HG1 ILE 61 1HG1 ILE 61 -1.130 3.383 -5.041 457 1HG2 ILE 61 3HG2 ILE 61 2.910 4.689 -4.749 458 2HG2 ILE 61 2HG2 ILE 61 1.554 5.802 -4.566 459 3HG2 ILE 61 1HG2 ILE 61 1.948 4.672 -3.270 460 1HD1 ILE 61 2HD1 ILE 61 0.302 3.454 -2.614 461 2HD1 ILE 61 1HD1 ILE 61 -0.786 4.841 -2.558 462 3HD1 ILE 61 3HD1 ILE 61 -1.433 3.221 -2.813 463 H THR 62 HN THR 62 1.795 1.444 -6.980 464 HA THR 62 HA THR 62 -0.904 0.656 -8.005 465 HB THR 62 HB THR 62 1.726 -0.401 -9.069 466 HG1 THR 62 HG1 THR 62 1.408 1.030 -10.779 467 1HG2 THR 62 2HG2 THR 62 -1.166 -0.777 -9.661 468 2HG2 THR 62 1HG2 THR 62 -0.069 -0.725 -11.041 469 3HG2 THR 62 3HG2 THR 62 0.164 -1.929 -9.773 470 H ILE 63 HN ILE 63 -1.473 -1.571 -7.592 471 HA ILE 63 HA ILE 63 0.346 -3.092 -5.804 472 HB ILE 63 HB ILE 63 -2.562 -2.528 -5.153 473 1HG1 ILE 63 2HG1 ILE 63 0.013 -1.458 -3.955 474 2HG1 ILE 63 1HG1 ILE 63 -1.171 -0.527 -4.864 475 1HG2 ILE 63 2HG2 ILE 63 -0.358 -4.069 -3.755 476 2HG2 ILE 63 1HG2 ILE 63 -1.852 -3.583 -2.952 477 3HG2 ILE 63 3HG2 ILE 63 -1.908 -4.689 -4.324 478 1HD1 ILE 63 3HD1 ILE 63 -2.750 -1.640 -2.923 479 2HD1 ILE 63 2HD1 ILE 63 -1.236 -1.409 -2.049 480 3HD1 ILE 63 1HD1 ILE 63 -2.030 -0.033 -2.818 481 H SER 64 HN SER 64 0.099 -5.337 -5.994 482 HA SER 64 HA SER 64 -2.168 -6.387 -7.586 483 1HB SER 64 2HB SER 64 -0.390 -7.719 -8.945 484 2HB SER 64 1HB SER 64 -0.704 -6.044 -9.391 485 HG SER 64 HG SER 64 1.589 -6.888 -8.979 486 H ALA 65 HN ALA 65 -2.905 -7.864 -6.125 487 HA ALA 65 HA ALA 65 -0.999 -9.464 -4.515 488 1HB ALA 65 3HB ALA 65 -3.169 -8.449 -3.602 489 2HB ALA 65 2HB ALA 65 -4.018 -9.678 -4.537 490 3HB ALA 65 1HB ALA 65 -2.906 -10.158 -3.255 491 H SER 66 HN SER 66 -0.461 -11.551 -5.060 492 HA SER 66 HA SER 66 -2.227 -13.055 -6.919 493 1HB SER 66 2HB SER 66 0.267 -11.857 -7.669 494 2HB SER 66 1HB SER 66 0.465 -13.607 -7.692 495 HG SER 66 HG SER 66 -1.200 -11.951 -9.200 496 H GLY 67 HN GLY 67 -2.744 -14.568 -5.324 497 1HA GLY 67 2HA GLY 67 -0.892 -16.697 -4.837 498 2HA GLY 67 1HA GLY 67 -1.002 -15.683 -3.398 499 H ALA 68 HN ALA 68 -2.292 -16.769 -1.983 500 HA ALA 68 HA ALA 68 -4.530 -18.419 -2.900 501 1HB ALA 68 3HB ALA 68 -3.243 -17.788 -0.276 502 2HB ALA 68 2HB ALA 68 -4.906 -18.376 -0.258 503 3HB ALA 68 1HB ALA 68 -3.633 -19.355 -0.986 504 H ASP 69 HN ASP 69 -4.515 -15.850 -0.414 505 HA ASP 69 HA ASP 69 -7.245 -15.085 -1.317 506 1HB ASP 69 2HB ASP 69 -7.273 -13.781 0.852 507 2HB ASP 69 1HB ASP 69 -7.108 -15.523 1.052 508 H GLU 70 HN GLU 70 -5.752 -14.195 -3.213 509 HA GLU 70 HA GLU 70 -4.334 -11.727 -2.771 510 1HB GLU 70 2HB GLU 70 -4.512 -11.475 -5.255 511 2HB GLU 70 1HB GLU 70 -3.894 -13.051 -4.764 512 1HG GLU 70 2HG GLU 70 -6.025 -14.100 -5.146 513 2HG GLU 70 1HG GLU 70 -6.819 -12.540 -5.353 514 H ASN 71 HN ASN 71 -7.709 -12.506 -3.314 515 HA ASN 71 HA ASN 71 -8.480 -9.772 -3.991 516 1HB ASN 71 2HB ASN 71 -10.213 -12.083 -3.068 517 2HB ASN 71 1HB ASN 71 -10.766 -10.613 -3.872 518 1HD2 ASN 71 2HD2 ASN 71 -9.876 -11.730 -7.112 519 2HD2 ASN 71 1HD2 ASN 71 -10.463 -10.444 -6.171 520 H ASP 72 HN ASP 72 -8.402 -11.759 -1.067 521 HA ASP 72 HA ASP 72 -9.860 -9.860 0.569 522 1HB ASP 72 2HB ASP 72 -7.941 -12.016 1.487 523 2HB ASP 72 1HB ASP 72 -9.219 -11.257 2.436 524 H ALA 73 HN ALA 73 -6.540 -10.132 -0.453 525 HA ALA 73 HA ALA 73 -5.499 -8.476 1.721 526 1HB ALA 73 2HB ALA 73 -4.273 -9.419 -0.880 527 2HB ALA 73 1HB ALA 73 -3.408 -8.478 0.336 528 3HB ALA 73 3HB ALA 73 -4.001 -10.093 0.727 529 H LEU 74 HN LEU 74 -6.245 -7.986 -1.742 530 HA LEU 74 HA LEU 74 -5.372 -5.244 -1.771 531 1HB LEU 74 2HB LEU 74 -6.540 -5.092 -3.925 532 2HB LEU 74 1HB LEU 74 -5.605 -6.580 -3.828 533 HG LEU 74 HG LEU 74 -7.891 -7.556 -2.888 534 1HD1 LEU 74 2HD1 LEU 74 -8.665 -4.940 -3.508 535 2HD1 LEU 74 1HD1 LEU 74 -9.246 -5.888 -4.877 536 3HD1 LEU 74 3HD1 LEU 74 -9.747 -6.305 -3.239 537 1HD2 LEU 74 3HD2 LEU 74 -7.318 -6.981 -5.813 538 2HD2 LEU 74 2HD2 LEU 74 -6.718 -8.355 -4.885 539 3HD2 LEU 74 1HD2 LEU 74 -8.441 -8.208 -5.227 540 H ASN 75 HN ASN 75 -8.543 -6.750 -1.218 541 HA ASN 75 HA ASN 75 -9.869 -4.157 -1.002 542 1HB ASN 75 2HB ASN 75 -11.843 -5.469 -0.290 543 2HB ASN 75 1HB ASN 75 -11.142 -6.103 -1.776 544 1HD2 ASN 75 2HD2 ASN 75 -11.665 -9.105 0.243 545 2HD2 ASN 75 1HD2 ASN 75 -12.568 -8.012 -0.689 546 H ALA 76 HN ALA 76 -8.116 -6.233 1.155 547 HA ALA 76 HA ALA 76 -9.326 -5.286 3.615 548 1HB ALA 76 1HB ALA 76 -6.726 -6.691 2.964 549 2HB ALA 76 3HB ALA 76 -7.134 -6.194 4.607 550 3HB ALA 76 2HB ALA 76 -8.153 -7.358 3.760 551 H LEU 77 HN LEU 77 -6.170 -4.594 2.051 552 HA LEU 77 HA LEU 77 -5.550 -2.379 3.774 553 1HB LEU 77 2HB LEU 77 -4.569 -2.880 0.955 554 2HB LEU 77 1HB LEU 77 -3.789 -1.876 2.177 555 HG LEU 77 HG LEU 77 -4.325 -4.559 3.200 556 1HD1 LEU 77 2HD1 LEU 77 -3.838 -4.692 0.548 557 2HD1 LEU 77 1HD1 LEU 77 -2.180 -4.634 1.149 558 3HD1 LEU 77 3HD1 LEU 77 -3.272 -5.910 1.690 559 1HD2 LEU 77 1HD2 LEU 77 -1.940 -2.739 2.857 560 2HD2 LEU 77 3HD2 LEU 77 -2.760 -3.201 4.347 561 3HD2 LEU 77 2HD2 LEU 77 -1.759 -4.375 3.492 562 H GLU 78 HN GLU 78 -7.262 -2.667 0.697 563 HA GLU 78 HA GLU 78 -7.364 0.072 -0.034 564 1HB GLU 78 2HB GLU 78 -8.121 -1.761 -1.504 565 2HB GLU 78 1HB GLU 78 -9.483 -2.063 -0.430 566 1HG GLU 78 2HG GLU 78 -10.658 -0.265 -1.196 567 2HG GLU 78 1HG GLU 78 -9.217 0.741 -1.337 568 H GLU 79 HN GLU 79 -9.767 -1.782 1.899 569 HA GLU 79 HA GLU 79 -11.413 0.474 2.505 570 1HB GLU 79 2HB GLU 79 -12.302 -0.921 4.351 571 2HB GLU 79 1HB GLU 79 -12.190 -1.832 2.846 572 1HG GLU 79 2HG GLU 79 -10.268 -3.010 3.569 573 2HG GLU 79 1HG GLU 79 -9.959 -1.872 4.879 574 H THR 80 HN THR 80 -8.392 -0.643 3.879 575 HA THR 80 HA THR 80 -8.564 0.855 6.347 576 HB THR 80 HB THR 80 -6.015 0.107 4.901 577 HG1 THR 80 HG1 THR 80 -7.730 -1.486 6.498 578 1HG2 THR 80 3HG2 THR 80 -6.143 1.533 7.076 579 2HG2 THR 80 2HG2 THR 80 -6.567 0.009 7.856 580 3HG2 THR 80 1HG2 THR 80 -5.020 0.173 7.024 581 H MET 81 HN MET 81 -7.486 1.566 3.078 582 HA MET 81 HA MET 81 -6.222 4.093 3.698 583 1HB MET 81 2HB MET 81 -7.114 2.672 1.217 584 2HB MET 81 1HB MET 81 -6.777 4.398 1.113 585 1HG MET 81 2HG MET 81 -4.754 2.798 2.577 586 2HG MET 81 1HG MET 81 -4.871 2.464 0.851 587 1HE MET 81 1HE MET 81 -3.272 3.219 -0.390 588 2HE MET 81 3HE MET 81 -2.335 4.717 -0.302 589 3HE MET 81 2HE MET 81 -2.126 3.470 0.925 590 H LYS 82 HN LYS 82 -9.508 3.060 3.068 591 HA LYS 82 HA LYS 82 -10.485 5.798 2.636 592 1HB LYS 82 2HB LYS 82 -11.662 3.051 2.614 593 2HB LYS 82 1HB LYS 82 -12.746 4.409 2.924 594 1HG LYS 82 2HG LYS 82 -12.844 4.464 0.635 595 2HG LYS 82 1HG LYS 82 -11.372 5.415 0.829 596 1HD LYS 82 2HD LYS 82 -9.993 3.677 0.172 597 2HD LYS 82 1HD LYS 82 -11.118 2.437 0.726 598 1HE LYS 82 2HE LYS 82 -11.775 4.243 -1.603 599 2HE LYS 82 1HE LYS 82 -10.885 2.735 -1.821 600 1HZ LYS 82 2HZ LYS 82 -13.496 2.899 -0.425 601 2HZ LYS 82 1HZ LYS 82 -13.345 2.555 -2.081 602 3HZ LYS 82 3HZ LYS 82 -12.679 1.499 -0.933 603 H SER 83 HN SER 83 -10.146 3.546 5.295 604 HA SER 83 HA SER 83 -12.086 4.721 7.057 605 1HB SER 83 2HB SER 83 -10.757 3.585 8.856 606 2HB SER 83 1HB SER 83 -11.192 2.512 7.529 607 HG SER 83 HG SER 83 -8.962 2.385 8.180 608 H GLU 84 HN GLU 84 -8.526 5.122 6.915 609 HA GLU 84 HA GLU 84 -8.702 7.480 8.673 610 1HB GLU 84 2HB GLU 84 -6.481 5.862 7.470 611 2HB GLU 84 1HB GLU 84 -6.138 7.501 8.025 612 1HG GLU 84 2HG GLU 84 -7.122 6.920 10.241 613 2HG GLU 84 1HG GLU 84 -7.339 5.261 9.679 614 H GLY 85 HN GLY 85 -8.306 6.730 5.266 615 1HA GLY 85 2HA GLY 85 -8.720 8.217 3.455 616 2HA GLY 85 1HA GLY 85 -8.759 9.559 4.599 617 H LEU 86 HN LEU 86 -6.261 7.090 3.921 618 HA LEU 86 HA LEU 86 -4.186 9.161 3.988 619 1HB LEU 86 2HB LEU 86 -4.109 6.172 3.513 620 2HB LEU 86 1HB LEU 86 -2.670 7.191 3.471 621 HG LEU 86 HG LEU 86 -4.565 6.959 5.830 622 1HD1 LEU 86 2HD1 LEU 86 -2.977 4.976 5.123 623 2HD1 LEU 86 1HD1 LEU 86 -1.719 6.008 5.802 624 3HD1 LEU 86 3HD1 LEU 86 -3.062 5.474 6.814 625 1HD2 LEU 86 3HD2 LEU 86 -1.968 8.449 5.363 626 2HD2 LEU 86 2HD2 LEU 86 -3.522 9.118 5.864 627 3HD2 LEU 86 1HD2 LEU 86 -2.594 8.116 6.978 628 H GLY 87 HN GLY 87 -5.621 6.986 1.558 629 1HA GLY 87 2HA GLY 87 -5.025 8.900 -0.563 630 2HA GLY 87 1HA GLY 87 -4.054 7.431 -0.667 631 H GLU 88 HN GLU 88 -6.343 8.529 -2.358 632 HA GLU 88 HA GLU 88 -7.885 5.980 -2.438 633 1HB GLU 88 2HB GLU 88 -9.954 7.318 -2.926 634 2HB GLU 88 1HB GLU 88 -9.341 7.552 -1.288 635 1HG GLU 88 2HG GLU 88 -8.091 9.583 -2.169 636 2HG GLU 88 1HG GLU 88 -9.017 9.405 -3.659 No H/Q in entry = 636 Start of MODEL 9 1 1H ALA 2 1HT ALA 2 -5.192 -9.339 -9.771 2 2H ALA 2 3HT ALA 2 -6.433 -10.495 -9.752 3 3H ALA 2 2HT ALA 2 -6.760 -8.906 -10.258 4 HA ALA 2 HA ALA 2 -7.586 -8.859 -8.133 5 1HB ALA 2 2HB ALA 2 -6.821 -11.145 -7.571 6 2HB ALA 2 1HB ALA 2 -5.188 -10.530 -7.320 7 3HB ALA 2 3HB ALA 2 -6.496 -10.019 -6.253 8 H GLN 3 HN GLN 3 -5.638 -7.213 -9.645 9 HA GLN 3 HA GLN 3 -4.067 -5.996 -7.423 10 1HB GLN 3 2HB GLN 3 -2.950 -4.715 -9.286 11 2HB GLN 3 1HB GLN 3 -2.728 -6.460 -9.381 12 1HG GLN 3 2HG GLN 3 -4.302 -6.683 -11.134 13 2HG GLN 3 1HG GLN 3 -4.993 -5.089 -10.827 14 1HE2 GLN 3 2HE2 GLN 3 -1.309 -5.209 -12.673 15 2HE2 GLN 3 1HE2 GLN 3 -1.691 -6.399 -11.525 16 H LYS 4 HN LYS 4 -4.202 -3.695 -7.086 17 HA LYS 4 HA LYS 4 -6.505 -2.313 -8.365 18 1HB LYS 4 2HB LYS 4 -6.150 -2.872 -5.427 19 2HB LYS 4 1HB LYS 4 -7.026 -1.437 -5.961 20 1HG LYS 4 2HG LYS 4 -8.272 -3.172 -7.525 21 2HG LYS 4 1HG LYS 4 -7.737 -4.327 -6.304 22 1HD LYS 4 2HD LYS 4 -9.711 -3.694 -5.313 23 2HD LYS 4 1HD LYS 4 -8.682 -2.412 -4.672 24 1HE LYS 4 2HE LYS 4 -10.655 -1.364 -5.583 25 2HE LYS 4 1HE LYS 4 -9.319 -1.017 -6.681 26 1HZ LYS 4 1HZ LYS 4 -11.039 -3.377 -7.094 27 2HZ LYS 4 3HZ LYS 4 -11.519 -1.851 -7.658 28 3HZ LYS 4 2HZ LYS 4 -10.075 -2.548 -8.222 29 H THR 5 HN THR 5 -6.033 -0.198 -8.797 30 HA THR 5 HA THR 5 -3.380 0.812 -7.978 31 HB THR 5 HB THR 5 -5.405 2.221 -9.727 32 HG1 THR 5 HG1 THR 5 -3.455 0.280 -10.409 33 1HG2 THR 5 1HG2 THR 5 -3.261 3.324 -8.769 34 2HG2 THR 5 3HG2 THR 5 -2.400 2.288 -9.906 35 3HG2 THR 5 2HG2 THR 5 -3.566 3.470 -10.500 36 H PHE 6 HN PHE 6 -3.117 2.305 -6.386 37 HA PHE 6 HA PHE 6 -5.574 3.619 -5.298 38 1HB PHE 6 2HB PHE 6 -3.022 2.762 -3.906 39 2HB PHE 6 1HB PHE 6 -4.284 3.730 -3.141 40 HD1 PHE 6 1HD PHE 6 -3.470 0.425 -4.596 41 HD2 PHE 6 2HD PHE 6 -6.405 2.762 -2.505 42 HE1 PHE 6 1HE PHE 6 -4.746 -1.638 -4.081 43 HE2 PHE 6 2HE PHE 6 -7.679 0.700 -1.992 44 HZ PHE 6 HZ PHE 6 -6.854 -1.500 -2.777 45 H LYS 7 HN LYS 7 -5.320 5.826 -4.565 46 HA LYS 7 HA LYS 7 -3.078 7.246 -5.939 47 1HB LYS 7 2HB LYS 7 -5.953 7.802 -5.595 48 2HB LYS 7 1HB LYS 7 -4.918 9.191 -5.265 49 1HG LYS 7 2HG LYS 7 -4.230 7.619 -7.688 50 2HG LYS 7 1HG LYS 7 -5.746 8.518 -7.760 51 1HD LYS 7 2HD LYS 7 -4.170 10.423 -6.686 52 2HD LYS 7 1HD LYS 7 -2.951 9.527 -7.592 53 1HE LYS 7 2HE LYS 7 -3.909 10.020 -9.641 54 2HE LYS 7 1HE LYS 7 -5.530 10.176 -8.963 55 1HZ LYS 7 2HZ LYS 7 -3.323 12.090 -8.440 56 2HZ LYS 7 1HZ LYS 7 -4.503 12.311 -9.643 57 3HZ LYS 7 3HZ LYS 7 -4.958 12.266 -8.010 58 H VAL 8 HN VAL 8 -1.595 8.242 -4.666 59 HA VAL 8 HA VAL 8 -1.960 8.215 -1.748 60 HB VAL 8 HB VAL 8 0.359 9.321 -3.358 61 1HG1 VAL 8 1HG1 VAL 8 -0.140 9.691 -0.739 62 2HG1 VAL 8 3HG1 VAL 8 0.639 8.111 -0.651 63 3HG1 VAL 8 2HG1 VAL 8 1.495 9.477 -1.366 64 1HG2 VAL 8 3HG2 VAL 8 -0.383 6.529 -2.533 65 2HG2 VAL 8 2HG2 VAL 8 0.352 7.088 -4.035 66 3HG2 VAL 8 1HG2 VAL 8 1.319 6.989 -2.564 67 H THR 9 HN THR 9 -3.070 9.862 -0.826 68 HA THR 9 HA THR 9 -2.685 12.609 -1.949 69 HB THR 9 HB THR 9 -5.141 11.784 -0.415 70 HG1 THR 9 HG1 THR 9 -5.705 10.598 -2.028 71 1HG2 THR 9 3HG2 THR 9 -4.389 14.209 -1.108 72 2HG2 THR 9 2HG2 THR 9 -4.985 13.726 -2.695 73 3HG2 THR 9 1HG2 THR 9 -6.072 13.722 -1.307 74 H ALA 10 HN ALA 10 -2.063 10.653 0.736 75 HA ALA 10 HA ALA 10 -2.605 12.417 2.913 76 1HB ALA 10 3HB ALA 10 -1.761 9.900 2.831 77 2HB ALA 10 2HB ALA 10 -0.177 10.665 2.950 78 3HB ALA 10 1HB ALA 10 -1.383 10.932 4.209 79 H ASP 11 HN ASP 11 -1.201 13.906 3.987 80 HA ASP 11 HA ASP 11 0.373 15.575 2.287 81 1HB ASP 11 2HB ASP 11 -0.704 16.272 4.459 82 2HB ASP 11 1HB ASP 11 0.563 15.384 5.307 83 H SER 12 HN SER 12 1.467 13.429 4.945 84 HA SER 12 HA SER 12 4.251 13.654 4.278 85 1HB SER 12 2HB SER 12 4.331 11.414 5.623 86 2HB SER 12 1HB SER 12 3.856 12.890 6.459 87 HG SER 12 HG SER 12 2.449 11.029 6.772 88 H GLY 13 HN GLY 13 1.682 11.475 3.234 89 1HA GLY 13 2HA GLY 13 1.748 10.396 1.059 90 2HA GLY 13 1HA GLY 13 3.510 10.453 1.120 91 H ILE 14 HN ILE 14 4.160 8.347 1.110 92 HA ILE 14 HA ILE 14 2.837 6.486 3.045 93 HB ILE 14 HB ILE 14 4.341 5.764 0.512 94 1HG1 ILE 14 2HG1 ILE 14 1.353 5.717 1.025 95 2HG1 ILE 14 1HG1 ILE 14 2.174 7.002 0.138 96 1HG2 ILE 14 3HG2 ILE 14 4.145 4.139 2.540 97 2HG2 ILE 14 2HG2 ILE 14 2.447 4.021 2.078 98 3HG2 ILE 14 1HG2 ILE 14 3.705 3.539 0.941 99 1HD1 ILE 14 1HD1 ILE 14 2.212 4.061 -0.601 100 2HD1 ILE 14 3HD1 ILE 14 1.250 5.303 -1.402 101 3HD1 ILE 14 2HD1 ILE 14 3.010 5.357 -1.493 102 1HN HIP 15 HN HIP 15 4.320 7.241 4.709 103 HA HIP 15 HA HIP 15 7.141 6.431 4.273 104 1HB HIP 15 1HB HIP 15 6.713 8.799 4.977 105 2HB HIP 15 2HB HIP 15 7.762 7.912 6.066 106 HD2 HIP 15 2HD HIP 15 3.809 8.399 6.098 107 HE2 HIP 15 2HE HIP 15 3.226 8.987 8.558 108 HE1 HIP 15 1HE HIP 15 5.328 9.063 9.965 109 H ALA 16 HN ALA 16 7.354 6.359 7.386 110 HA ALA 16 HA ALA 16 7.034 3.507 7.571 111 1HB ALA 16 2HB ALA 16 7.898 5.685 9.417 112 2HB ALA 16 1HB ALA 16 7.459 4.126 10.115 113 3HB ALA 16 3HB ALA 16 8.751 4.224 8.920 114 H ARG 17 HN ARG 17 5.136 6.201 9.003 115 HA ARG 17 HA ARG 17 3.490 4.673 10.692 116 1HB ARG 17 2HB ARG 17 3.557 7.321 9.897 117 2HB ARG 17 1HB ARG 17 1.990 6.777 9.305 118 1HG ARG 17 2HG ARG 17 1.394 5.961 11.526 119 2HG ARG 17 1HG ARG 17 2.994 6.385 12.138 120 1HD ARG 17 2HD ARG 17 2.572 8.679 12.042 121 2HD ARG 17 1HD ARG 17 1.307 8.496 10.827 122 HE ARG 17 HE ARG 17 -0.227 7.849 12.577 123 1HH1 ARG 17 HH11 ARG 17 0.930 6.335 14.576 124 2HH1 ARG 17 HH12 ARG 17 1.397 7.434 15.830 125 1HH2 ARG 17 HH21 ARG 17 1.255 10.235 13.791 126 2HH2 ARG 17 HH22 ARG 17 1.581 9.642 15.385 127 HA PRO 18 HA PRO 18 0.374 3.867 7.180 128 1HB PRO 18 2HB PRO 18 1.129 4.417 4.590 129 2HB PRO 18 1HB PRO 18 0.247 5.555 5.624 130 1HG PRO 18 2HG PRO 18 3.126 5.571 4.839 131 2HG PRO 18 1HG PRO 18 2.073 6.927 5.270 132 1HD PRO 18 2HD PRO 18 3.992 5.757 6.958 133 2HD PRO 18 1HD PRO 18 2.675 6.821 7.481 134 H ALA 19 HN ALA 19 3.794 3.355 6.595 135 HA ALA 19 HA ALA 19 3.493 0.963 4.985 136 1HB ALA 19 3HB ALA 19 5.577 2.344 5.042 137 2HB ALA 19 2HB ALA 19 5.847 1.810 6.701 138 3HB ALA 19 1HB ALA 19 5.875 0.641 5.382 139 H THR 20 HN THR 20 3.325 1.652 8.397 140 HA THR 20 HA THR 20 3.773 -1.135 9.203 141 HB THR 20 HB THR 20 2.518 0.880 11.024 142 HG1 THR 20 HG1 THR 20 4.474 1.888 11.309 143 1HG2 THR 20 2HG2 THR 20 4.445 -1.416 11.193 144 2HG2 THR 20 1HG2 THR 20 4.410 -0.206 12.475 145 3HG2 THR 20 3HG2 THR 20 2.962 -1.141 12.105 146 H VAL 21 HN VAL 21 1.099 1.053 8.566 147 HA VAL 21 HA VAL 21 -0.987 -0.602 9.686 148 HB VAL 21 HB VAL 21 -1.271 1.338 7.400 149 1HG1 VAL 21 3HG1 VAL 21 -3.159 -0.247 8.250 150 2HG1 VAL 21 2HG1 VAL 21 -3.222 0.842 9.635 151 3HG1 VAL 21 1HG1 VAL 21 -3.534 1.460 8.013 152 1HG2 VAL 21 2HG2 VAL 21 -0.718 1.802 10.295 153 2HG2 VAL 21 1HG2 VAL 21 -0.283 2.789 8.900 154 3HG2 VAL 21 3HG2 VAL 21 -1.927 2.836 9.537 155 H LEU 22 HN LEU 22 0.468 -0.261 6.506 156 HA LEU 22 HA LEU 22 -1.317 -2.117 5.191 157 1HB LEU 22 2HB LEU 22 1.365 -0.936 4.450 158 2HB LEU 22 1HB LEU 22 0.423 -1.966 3.366 159 HG LEU 22 HG LEU 22 -0.618 0.590 4.630 160 1HD1 LEU 22 2HD1 LEU 22 0.617 0.010 1.925 161 2HD1 LEU 22 1HD1 LEU 22 -0.436 1.399 2.199 162 3HD1 LEU 22 3HD1 LEU 22 1.081 1.254 3.087 163 1HD2 LEU 22 3HD2 LEU 22 -1.684 -1.363 2.572 164 2HD2 LEU 22 2HD2 LEU 22 -2.443 -0.857 4.082 165 3HD2 LEU 22 1HD2 LEU 22 -2.323 0.273 2.734 166 H VAL 23 HN VAL 23 2.120 -2.370 6.213 167 HA VAL 23 HA VAL 23 2.570 -5.036 5.450 168 HB VAL 23 HB VAL 23 4.337 -3.533 6.318 169 1HG1 VAL 23 1HG1 VAL 23 2.863 -2.641 8.193 170 2HG1 VAL 23 3HG1 VAL 23 3.234 -4.123 9.073 171 3HG1 VAL 23 2HG1 VAL 23 4.527 -3.005 8.642 172 1HG2 VAL 23 1HG2 VAL 23 4.222 -6.226 6.572 173 2HG2 VAL 23 3HG2 VAL 23 5.621 -5.277 7.074 174 3HG2 VAL 23 2HG2 VAL 23 4.421 -5.780 8.266 175 H GLN 24 HN GLN 24 0.728 -3.814 8.168 176 HA GLN 24 HA GLN 24 0.589 -6.344 9.591 177 1HB GLN 24 2HB GLN 24 -0.954 -3.753 9.755 178 2HB GLN 24 1HB GLN 24 -1.394 -5.153 10.730 179 1HG GLN 24 2HG GLN 24 1.446 -4.773 10.924 180 2HG GLN 24 1HG GLN 24 0.656 -3.230 11.241 181 1HE2 GLN 24 2HE2 GLN 24 -0.565 -4.228 14.394 182 2HE2 GLN 24 1HE2 GLN 24 -0.394 -2.981 13.255 183 H THR 25 HN THR 25 -1.569 -4.616 7.334 184 HA THR 25 HA THR 25 -3.687 -6.569 7.447 185 HB THR 25 HB THR 25 -3.021 -4.658 5.189 186 HG1 THR 25 HG1 THR 25 -3.263 -3.513 7.077 187 1HG2 THR 25 3HG2 THR 25 -5.483 -6.217 5.981 188 2HG2 THR 25 2HG2 THR 25 -5.574 -4.793 4.944 189 3HG2 THR 25 1HG2 THR 25 -4.653 -6.205 4.425 190 H ALA 26 HN ALA 26 -1.483 -5.902 4.701 191 HA ALA 26 HA ALA 26 -2.011 -8.243 3.240 192 1HB ALA 26 3HB ALA 26 0.476 -6.540 3.449 193 2HB ALA 26 2HB ALA 26 0.365 -7.903 2.336 194 3HB ALA 26 1HB ALA 26 -0.742 -6.540 2.173 195 H SER 27 HN SER 27 -0.084 -7.870 6.132 196 HA SER 27 HA SER 27 1.540 -10.211 5.910 197 1HB SER 27 2HB SER 27 0.648 -8.417 8.097 198 2HB SER 27 1HB SER 27 1.129 -10.037 8.590 199 HG SER 27 HG SER 27 2.964 -8.806 8.550 200 H LYS 28 HN LYS 28 -1.685 -9.722 7.356 201 HA LYS 28 HA LYS 28 -2.061 -12.428 8.207 202 1HB LYS 28 2HB LYS 28 -4.050 -10.268 7.457 203 2HB LYS 28 1HB LYS 28 -4.510 -11.817 8.165 204 1HG LYS 28 2HG LYS 28 -3.648 -11.288 10.228 205 2HG LYS 28 1HG LYS 28 -2.362 -10.288 9.551 206 1HD LYS 28 2HD LYS 28 -3.693 -8.410 9.432 207 2HD LYS 28 1HD LYS 28 -5.171 -9.343 9.197 208 1HE LYS 28 2HE LYS 28 -3.787 -9.684 11.808 209 2HE LYS 28 1HE LYS 28 -4.584 -8.135 11.532 210 1HZ LYS 28 3HZ LYS 28 -6.533 -9.595 10.745 211 2HZ LYS 28 2HZ LYS 28 -5.757 -10.836 11.608 212 3HZ LYS 28 1HZ LYS 28 -6.261 -9.426 12.411 213 H TYR 29 HN TYR 29 -2.356 -10.887 5.077 214 HA TYR 29 HA TYR 29 -3.836 -13.178 3.945 215 1HB TYR 29 2HB TYR 29 -2.730 -10.663 2.652 216 2HB TYR 29 1HB TYR 29 -3.698 -11.884 1.823 217 HD1 TYR 29 2HD TYR 29 -6.023 -12.429 2.763 218 HD2 TYR 29 1HD TYR 29 -3.776 -8.952 3.906 219 HE1 TYR 29 2HE TYR 29 -8.099 -11.364 3.600 220 HE2 TYR 29 1HE TYR 29 -5.852 -7.887 4.746 221 HH TYR 29 HH TYR 29 -8.678 -9.571 5.316 222 H ASP 30 HN ASP 30 -2.808 -14.915 3.135 223 HA ASP 30 HA ASP 30 0.062 -15.121 3.079 224 1HB ASP 30 2HB ASP 30 -2.223 -16.851 2.195 225 2HB ASP 30 1HB ASP 30 -0.590 -17.252 1.661 226 H ALA 31 HN ALA 31 -2.268 -14.014 0.742 227 HA ALA 31 HA ALA 31 -0.901 -14.551 -1.684 228 1HB ALA 31 2HB ALA 31 -2.803 -12.389 -0.804 229 2HB ALA 31 1HB ALA 31 -2.063 -12.322 -2.404 230 3HB ALA 31 3HB ALA 31 -3.070 -13.698 -1.954 231 H ASP 32 HN ASP 32 0.626 -13.331 -2.873 232 HA ASP 32 HA ASP 32 2.414 -11.676 -1.205 233 1HB ASP 32 2HB ASP 32 2.726 -12.585 -4.083 234 2HB ASP 32 1HB ASP 32 3.980 -11.859 -3.077 235 H VAL 33 HN VAL 33 1.144 -9.760 -1.018 236 HA VAL 33 HA VAL 33 0.395 -8.334 -3.498 237 HB VAL 33 HB VAL 33 -0.633 -6.691 -1.957 238 1HG1 VAL 33 3HG1 VAL 33 -1.377 -9.427 -2.284 239 2HG1 VAL 33 2HG1 VAL 33 -1.757 -8.980 -0.622 240 3HG1 VAL 33 1HG1 VAL 33 -2.427 -8.049 -1.960 241 1HG2 VAL 33 2HG2 VAL 33 1.127 -8.027 -0.053 242 2HG2 VAL 33 1HG2 VAL 33 0.288 -6.485 0.097 243 3HG2 VAL 33 3HG2 VAL 33 -0.534 -7.982 0.536 244 H ASN 34 HN ASN 34 1.656 -6.745 -4.373 245 HA ASN 34 HA ASN 34 3.824 -5.590 -2.666 246 1HB ASN 34 2HB ASN 34 4.083 -6.310 -5.600 247 2HB ASN 34 1HB ASN 34 5.355 -5.684 -4.550 248 1HD2 ASN 34 2HD2 ASN 34 4.306 -9.631 -4.321 249 2HD2 ASN 34 1HD2 ASN 34 3.355 -8.548 -5.218 250 H LEU 35 HN LEU 35 4.145 -3.397 -2.897 251 HA LEU 35 HA LEU 35 2.125 -1.928 -4.489 252 1HB LEU 35 2HB LEU 35 2.669 -1.390 -2.051 253 2HB LEU 35 1HB LEU 35 4.215 -0.769 -2.628 254 HG LEU 35 HG LEU 35 1.835 0.214 -4.095 255 1HD1 LEU 35 3HD1 LEU 35 2.151 0.516 -1.157 256 2HD1 LEU 35 2HD1 LEU 35 1.792 1.992 -2.051 257 3HD1 LEU 35 1HD1 LEU 35 0.697 0.614 -2.148 258 1HD2 LEU 35 3HD2 LEU 35 4.164 0.997 -4.494 259 2HD2 LEU 35 2HD2 LEU 35 3.106 2.311 -3.985 260 3HD2 LEU 35 1HD2 LEU 35 4.230 1.589 -2.835 261 H GLU 36 HN GLU 36 2.735 -0.360 -6.072 262 HA GLU 36 HA GLU 36 5.541 -0.657 -7.077 263 1HB GLU 36 2HB GLU 36 3.412 -1.424 -8.462 264 2HB GLU 36 1HB GLU 36 3.312 0.296 -8.838 265 1HG GLU 36 2HG GLU 36 5.653 0.258 -9.629 266 2HG GLU 36 1HG GLU 36 5.740 -1.468 -9.272 267 H TYR 37 HN TYR 37 6.685 1.235 -7.544 268 HA TYR 37 HA TYR 37 5.346 3.838 -7.584 269 1HB TYR 37 2HB TYR 37 5.518 3.330 -5.143 270 2HB TYR 37 1HB TYR 37 7.268 3.207 -5.324 271 HD1 TYR 37 1HD TYR 37 4.617 5.577 -6.546 272 HD2 TYR 37 2HD TYR 37 8.395 5.090 -4.562 273 HE1 TYR 37 1HE TYR 37 4.817 8.039 -6.323 274 HE2 TYR 37 2HE TYR 37 8.594 7.552 -4.336 275 HH TYR 37 HH TYR 37 7.645 9.597 -5.616 276 H ASN 38 HN ASN 38 6.406 4.803 -9.228 277 HA ASN 38 HA ASN 38 8.145 5.628 -10.557 278 1HB ASN 38 2HB ASN 38 8.987 6.102 -8.077 279 2HB ASN 38 1HB ASN 38 10.196 4.894 -8.513 280 1HD2 ASN 38 2HD2 ASN 38 12.011 7.598 -9.920 281 2HD2 ASN 38 1HD2 ASN 38 11.951 6.442 -8.679 282 H GLY 39 HN GLY 39 7.486 2.642 -10.422 283 1HA GLY 39 2HA GLY 39 8.243 0.962 -11.942 284 2HA GLY 39 1HA GLY 39 9.782 1.805 -12.060 285 H LYS 40 HN LYS 40 9.695 1.893 -8.933 286 HA LYS 40 HA LYS 40 11.106 -0.676 -8.608 287 1HB LYS 40 2HB LYS 40 10.701 1.641 -6.688 288 2HB LYS 40 1HB LYS 40 11.728 0.238 -6.387 289 1HG LYS 40 2HG LYS 40 13.336 0.915 -7.892 290 2HG LYS 40 1HG LYS 40 12.170 1.741 -8.926 291 1HD LYS 40 2HD LYS 40 11.965 3.559 -7.307 292 2HD LYS 40 1HD LYS 40 13.045 2.720 -6.192 293 1HE LYS 40 2HE LYS 40 14.363 4.369 -7.355 294 2HE LYS 40 1HE LYS 40 14.813 2.790 -7.998 295 1HZ LYS 40 3HZ LYS 40 12.653 4.315 -9.281 296 2HZ LYS 40 2HZ LYS 40 14.270 4.728 -9.604 297 3HZ LYS 40 1HZ LYS 40 13.702 3.164 -9.954 298 H THR 41 HN THR 41 9.984 -2.427 -7.960 299 HA THR 41 HA THR 41 7.378 -2.066 -6.596 300 HB THR 41 HB THR 41 8.576 -4.705 -7.422 301 HG1 THR 41 HG1 THR 41 7.066 -2.953 -9.057 302 1HG2 THR 41 2HG2 THR 41 5.867 -3.590 -6.806 303 2HG2 THR 41 1HG2 THR 41 5.993 -4.935 -7.940 304 3HG2 THR 41 3HG2 THR 41 6.593 -5.113 -6.292 305 H VAL 42 HN VAL 42 7.373 -2.085 -4.418 306 HA VAL 42 HA VAL 42 9.489 -3.649 -2.998 307 HB VAL 42 HB VAL 42 8.575 -2.243 -0.973 308 1HG1 VAL 42 2HG1 VAL 42 10.552 -1.654 -3.069 309 2HG1 VAL 42 1HG1 VAL 42 10.066 -0.248 -2.121 310 3HG1 VAL 42 3HG1 VAL 42 10.729 -1.668 -1.314 311 1HG2 VAL 42 1HG2 VAL 42 6.737 -1.300 -2.600 312 2HG2 VAL 42 3HG2 VAL 42 7.501 -0.219 -1.434 313 3HG2 VAL 42 2HG2 VAL 42 8.023 -0.209 -3.119 314 H ASN 43 HN ASN 43 8.857 -5.070 -1.328 315 HA ASN 43 HA ASN 43 6.299 -6.355 -1.694 316 1HB ASN 43 2HB ASN 43 8.564 -7.308 -0.755 317 2HB ASN 43 1HB ASN 43 7.957 -6.709 0.790 318 1HD2 ASN 43 2HD2 ASN 43 6.340 -9.865 1.033 319 2HD2 ASN 43 1HD2 ASN 43 7.598 -8.891 1.623 320 H LEU 44 HN LEU 44 4.395 -6.017 -0.589 321 HA LEU 44 HA LEU 44 3.859 -3.608 0.763 322 1HB LEU 44 2HB LEU 44 2.240 -5.401 -0.200 323 2HB LEU 44 1HB LEU 44 2.377 -6.170 1.376 324 HG LEU 44 HG LEU 44 0.392 -4.657 1.163 325 1HD1 LEU 44 2HD1 LEU 44 2.030 -5.038 3.299 326 2HD1 LEU 44 1HD1 LEU 44 2.030 -3.277 3.195 327 3HD1 LEU 44 3HD1 LEU 44 0.509 -4.151 3.365 328 1HD2 LEU 44 2HD2 LEU 44 1.663 -2.953 -0.272 329 2HD2 LEU 44 1HD2 LEU 44 0.628 -2.289 0.993 330 3HD2 LEU 44 3HD2 LEU 44 2.373 -2.371 1.233 331 H LYS 45 HN LYS 45 5.168 -6.618 1.985 332 HA LYS 45 HA LYS 45 4.968 -5.699 4.793 333 1HB LYS 45 2HB LYS 45 6.221 -8.219 3.646 334 2HB LYS 45 1HB LYS 45 5.911 -7.894 5.352 335 1HG LYS 45 2HG LYS 45 3.999 -9.084 4.877 336 2HG LYS 45 1HG LYS 45 3.434 -7.479 4.412 337 1HD LYS 45 2HD LYS 45 3.525 -7.945 2.161 338 2HD LYS 45 1HD LYS 45 4.880 -9.059 2.340 339 1HE LYS 45 2HE LYS 45 2.068 -9.661 3.292 340 2HE LYS 45 1HE LYS 45 2.714 -10.189 1.737 341 1HZ LYS 45 2HZ LYS 45 4.618 -11.130 3.166 342 2HZ LYS 45 1HZ LYS 45 3.513 -11.009 4.451 343 3HZ LYS 45 3HZ LYS 45 3.145 -11.975 3.107 344 H SER 46 HN SER 46 6.396 -3.818 3.765 345 HA SER 46 HA SER 46 9.173 -4.366 4.618 346 1HB SER 46 2HB SER 46 8.747 -4.611 1.989 347 2HB SER 46 1HB SER 46 8.865 -2.854 2.048 348 HG SER 46 HG SER 46 10.811 -4.690 2.176 349 H ILE 47 HN ILE 47 8.575 -2.972 6.369 350 HA ILE 47 HA ILE 47 7.519 -0.318 5.938 351 HB ILE 47 HB ILE 47 9.025 -1.365 8.348 352 1HG1 ILE 47 2HG1 ILE 47 6.066 -1.462 7.645 353 2HG1 ILE 47 1HG1 ILE 47 7.148 -2.849 7.748 354 1HG2 ILE 47 2HG2 ILE 47 8.431 1.184 7.904 355 2HG2 ILE 47 1HG2 ILE 47 6.817 0.667 8.395 356 3HG2 ILE 47 3HG2 ILE 47 8.180 0.473 9.498 357 1HD1 ILE 47 2HD1 ILE 47 7.606 -1.990 10.178 358 2HD1 ILE 47 1HD1 ILE 47 6.088 -1.119 9.965 359 3HD1 ILE 47 3HD1 ILE 47 6.119 -2.878 9.849 360 H MET 48 HN MET 48 10.786 -1.627 6.393 361 HA MET 48 HA MET 48 12.041 1.006 6.402 362 1HB MET 48 2HB MET 48 12.884 -1.329 7.349 363 2HB MET 48 1HB MET 48 13.569 -1.478 5.730 364 1HG MET 48 2HG MET 48 15.012 0.310 6.024 365 2HG MET 48 1HG MET 48 13.966 1.093 7.208 366 1HE MET 48 3HE MET 48 16.053 -1.596 6.161 367 2HE MET 48 2HE MET 48 17.408 -1.253 7.233 368 3HE MET 48 1HE MET 48 16.380 -2.649 7.545 369 H GLY 49 HN GLY 49 11.186 -1.373 3.973 370 1HA GLY 49 2HA GLY 49 12.914 -0.305 1.897 371 2HA GLY 49 1HA GLY 49 11.577 -1.428 1.649 372 H VAL 50 HN VAL 50 9.556 0.242 2.889 373 HA VAL 50 HA VAL 50 8.796 1.824 0.615 374 HB VAL 50 HB VAL 50 7.725 1.948 3.452 375 1HG1 VAL 50 2HG1 VAL 50 7.130 3.825 1.823 376 2HG1 VAL 50 1HG1 VAL 50 6.313 2.600 0.855 377 3HG1 VAL 50 3HG1 VAL 50 5.764 2.935 2.496 378 1HG2 VAL 50 2HG2 VAL 50 7.787 -0.275 1.873 379 2HG2 VAL 50 1HG2 VAL 50 6.499 0.064 3.028 380 3HG2 VAL 50 3HG2 VAL 50 6.284 0.464 1.324 381 H VAL 51 HN VAL 51 10.418 2.600 3.656 382 HA VAL 51 HA VAL 51 10.231 5.482 3.294 383 HB VAL 51 HB VAL 51 12.172 3.912 5.018 384 1HG1 VAL 51 2HG1 VAL 51 11.373 6.785 4.762 385 2HG1 VAL 51 1HG1 VAL 51 11.742 6.162 6.371 386 3HG1 VAL 51 3HG1 VAL 51 12.959 6.088 5.096 387 1HG2 VAL 51 1HG2 VAL 51 9.764 3.340 5.426 388 2HG2 VAL 51 3HG2 VAL 51 10.528 4.136 6.801 389 3HG2 VAL 51 2HG2 VAL 51 9.451 5.045 5.739 390 H SER 52 HN SER 52 12.511 2.970 2.379 391 HA SER 52 HA SER 52 14.740 4.642 1.742 392 1HB SER 52 2HB SER 52 15.582 2.760 0.496 393 2HB SER 52 1HB SER 52 14.751 2.116 1.909 394 HG SER 52 HG SER 52 13.672 1.022 0.471 395 H LEU 53 HN LEU 53 11.767 3.934 0.024 396 HA LEU 53 HA LEU 53 12.640 4.832 -2.573 397 1HB LEU 53 2HB LEU 53 10.013 4.274 -1.261 398 2HB LEU 53 1HB LEU 53 10.008 5.239 -2.737 399 HG LEU 53 HG LEU 53 11.549 3.380 -3.696 400 1HD1 LEU 53 3HD1 LEU 53 11.794 2.367 -1.343 401 2HD1 LEU 53 2HD1 LEU 53 10.159 1.742 -1.570 402 3HD1 LEU 53 1HD1 LEU 53 11.454 1.243 -2.658 403 1HD2 LEU 53 3HD2 LEU 53 8.603 3.338 -3.211 404 2HD2 LEU 53 2HD2 LEU 53 9.489 3.413 -4.734 405 3HD2 LEU 53 1HD2 LEU 53 9.331 1.878 -3.880 406 H GLY 54 HN GLY 54 10.145 6.473 -0.619 407 1HA GLY 54 2HA GLY 54 10.686 8.801 0.229 408 2HA GLY 54 1HA GLY 54 11.456 9.069 -1.335 409 H ILE 55 HN ILE 55 8.330 7.619 -0.376 410 HA ILE 55 HA ILE 55 6.976 8.929 -2.610 411 HB ILE 55 HB ILE 55 5.804 7.393 -0.268 412 1HG1 ILE 55 2HG1 ILE 55 6.137 6.223 -2.998 413 2HG1 ILE 55 1HG1 ILE 55 7.569 6.326 -1.973 414 1HG2 ILE 55 3HG2 ILE 55 4.719 8.512 -2.824 415 2HG2 ILE 55 2HG2 ILE 55 4.079 6.972 -2.251 416 3HG2 ILE 55 1HG2 ILE 55 3.960 8.408 -1.235 417 1HD1 ILE 55 1HD1 ILE 55 6.174 5.228 -0.141 418 2HD1 ILE 55 3HD1 ILE 55 4.970 4.894 -1.386 419 3HD1 ILE 55 2HD1 ILE 55 6.585 4.196 -1.512 420 H ALA 56 HN ALA 56 5.138 10.398 -2.306 421 HA ALA 56 HA ALA 56 4.912 11.773 0.290 422 1HB ALA 56 2HB ALA 56 6.796 12.736 -1.425 423 2HB ALA 56 1HB ALA 56 5.381 13.642 -1.963 424 3HB ALA 56 3HB ALA 56 5.909 13.747 -0.282 425 H LYS 57 HN LYS 57 3.476 13.983 -0.494 426 HA LYS 57 HA LYS 57 0.927 12.817 -1.236 427 1HB LYS 57 2HB LYS 57 1.341 14.814 0.324 428 2HB LYS 57 1HB LYS 57 1.542 15.752 -1.150 429 1HG LYS 57 2HG LYS 57 -0.762 14.437 -1.738 430 2HG LYS 57 1HG LYS 57 -0.917 14.585 0.014 431 1HD LYS 57 2HD LYS 57 -1.896 16.571 -0.823 432 2HD LYS 57 1HD LYS 57 -0.276 17.063 -0.327 433 1HE LYS 57 2HE LYS 57 0.486 17.259 -2.512 434 2HE LYS 57 1HE LYS 57 -0.687 16.098 -3.134 435 1HZ LYS 57 1HZ LYS 57 -1.324 18.826 -2.148 436 2HZ LYS 57 3HZ LYS 57 -1.231 18.370 -3.778 437 3HZ LYS 57 2HZ LYS 57 -2.437 17.710 -2.780 438 H GLY 58 HN GLY 58 -0.243 13.128 -3.165 439 1HA GLY 58 2HA GLY 58 -0.601 13.718 -5.424 440 2HA GLY 58 1HA GLY 58 0.821 14.758 -5.338 441 H ALA 59 HN ALA 59 0.211 11.243 -5.007 442 HA ALA 59 HA ALA 59 2.184 10.764 -7.178 443 1HB ALA 59 2HB ALA 59 2.353 9.722 -4.350 444 2HB ALA 59 1HB ALA 59 3.119 8.872 -5.691 445 3HB ALA 59 3HB ALA 59 3.606 10.520 -5.298 446 H GLU 60 HN GLU 60 2.153 8.331 -7.746 447 HA GLU 60 HA GLU 60 -0.600 7.230 -7.347 448 1HB GLU 60 2HB GLU 60 1.055 7.197 -9.891 449 2HB GLU 60 1HB GLU 60 -0.506 6.402 -9.681 450 1HG GLU 60 2HG GLU 60 -1.211 8.403 -10.602 451 2HG GLU 60 1HG GLU 60 -1.242 8.835 -8.891 452 H ILE 61 HN ILE 61 -0.609 5.158 -6.620 453 HA ILE 61 HA ILE 61 1.934 3.594 -6.841 454 HB ILE 61 HB ILE 61 1.201 2.483 -4.703 455 1HG1 ILE 61 2HG1 ILE 61 -0.808 4.759 -4.648 456 2HG1 ILE 61 1HG1 ILE 61 -1.218 3.070 -4.945 457 1HG2 ILE 61 3HG2 ILE 61 1.632 5.484 -4.719 458 2HG2 ILE 61 2HG2 ILE 61 1.732 4.488 -3.266 459 3HG2 ILE 61 1HG2 ILE 61 2.868 4.231 -4.590 460 1HD1 ILE 61 3HD1 ILE 61 -0.009 2.592 -2.704 461 2HD1 ILE 61 2HD1 ILE 61 -0.156 4.325 -2.416 462 3HD1 ILE 61 1HD1 ILE 61 -1.604 3.341 -2.629 463 H THR 62 HN THR 62 1.722 1.384 -7.368 464 HA THR 62 HA THR 62 -1.025 0.531 -8.198 465 HB THR 62 HB THR 62 1.435 -0.542 -9.538 466 HG1 THR 62 HG1 THR 62 1.820 1.284 -10.471 467 1HG2 THR 62 2HG2 THR 62 -1.480 -0.189 -10.145 468 2HG2 THR 62 1HG2 THR 62 -0.331 -0.320 -11.474 469 3HG2 THR 62 3HG2 THR 62 -0.477 -1.628 -10.303 470 H ILE 63 HN ILE 63 -1.624 -0.929 -6.655 471 HA ILE 63 HA ILE 63 0.390 -2.784 -5.523 472 HB ILE 63 HB ILE 63 -2.553 -2.425 -4.864 473 1HG1 ILE 63 2HG1 ILE 63 -0.083 -1.439 -3.401 474 2HG1 ILE 63 1HG1 ILE 63 -1.114 -0.426 -4.412 475 1HG2 ILE 63 3HG2 ILE 63 -0.343 -4.130 -3.747 476 2HG2 ILE 63 2HG2 ILE 63 -1.609 -3.538 -2.672 477 3HG2 ILE 63 1HG2 ILE 63 -2.028 -4.552 -4.054 478 1HD1 ILE 63 2HD1 ILE 63 -2.976 -1.583 -2.785 479 2HD1 ILE 63 1HD1 ILE 63 -1.594 -1.484 -1.693 480 3HD1 ILE 63 3HD1 ILE 63 -2.219 -0.024 -2.459 481 H SER 64 HN SER 64 0.030 -5.103 -5.575 482 HA SER 64 HA SER 64 -1.986 -6.129 -7.476 483 1HB SER 64 2HB SER 64 -0.007 -7.485 -8.548 484 2HB SER 64 1HB SER 64 -0.329 -5.841 -9.093 485 HG SER 64 HG SER 64 1.327 -5.112 -7.803 486 H ALA 65 HN ALA 65 -2.917 -7.561 -6.069 487 HA ALA 65 HA ALA 65 -1.231 -9.177 -4.254 488 1HB ALA 65 3HB ALA 65 -3.516 -8.112 -3.654 489 2HB ALA 65 2HB ALA 65 -4.221 -9.427 -4.593 490 3HB ALA 65 1HB ALA 65 -3.244 -9.786 -3.169 491 H SER 66 HN SER 66 -0.517 -11.173 -4.864 492 HA SER 66 HA SER 66 -2.123 -12.707 -6.856 493 1HB SER 66 2HB SER 66 0.810 -12.987 -7.053 494 2HB SER 66 1HB SER 66 -0.402 -12.964 -8.325 495 HG SER 66 HG SER 66 0.740 -10.788 -6.916 496 H GLY 67 HN GLY 67 -2.795 -14.409 -5.627 497 1HA GLY 67 2HA GLY 67 -1.022 -16.456 -4.798 498 2HA GLY 67 1HA GLY 67 -1.387 -15.474 -3.379 499 H ALA 68 HN ALA 68 -2.748 -16.836 -2.253 500 HA ALA 68 HA ALA 68 -4.926 -18.251 -3.640 501 1HB ALA 68 1HB ALA 68 -3.848 -18.197 -0.837 502 2HB ALA 68 3HB ALA 68 -5.468 -18.830 -1.129 503 3HB ALA 68 2HB ALA 68 -4.076 -19.574 -1.915 504 H ASP 69 HN ASP 69 -4.869 -16.108 -0.767 505 HA ASP 69 HA ASP 69 -7.618 -15.218 -1.459 506 1HB ASP 69 2HB ASP 69 -7.540 -14.150 0.811 507 2HB ASP 69 1HB ASP 69 -7.285 -15.896 0.855 508 H GLU 70 HN GLU 70 -5.582 -14.304 -3.185 509 HA GLU 70 HA GLU 70 -4.464 -11.778 -2.519 510 1HB GLU 70 2HB GLU 70 -4.308 -11.426 -4.970 511 2HB GLU 70 1HB GLU 70 -3.765 -13.037 -4.508 512 1HG GLU 70 2HG GLU 70 -6.133 -13.844 -5.018 513 2HG GLU 70 1HG GLU 70 -6.412 -12.266 -5.754 514 H ASN 71 HN ASN 71 -7.703 -12.675 -3.518 515 HA ASN 71 HA ASN 71 -8.559 -9.982 -4.184 516 1HB ASN 71 2HB ASN 71 -10.125 -12.483 -3.487 517 2HB ASN 71 1HB ASN 71 -10.854 -10.981 -4.057 518 1HD2 ASN 71 2HD2 ASN 71 -10.014 -11.556 -7.437 519 2HD2 ASN 71 1HD2 ASN 71 -10.761 -10.530 -6.310 520 H ASP 72 HN ASP 72 -8.601 -11.992 -1.281 521 HA ASP 72 HA ASP 72 -10.231 -10.161 0.274 522 1HB ASP 72 2HB ASP 72 -8.334 -12.338 1.205 523 2HB ASP 72 1HB ASP 72 -9.569 -11.553 2.189 524 H ALA 73 HN ALA 73 -6.821 -10.414 -0.465 525 HA ALA 73 HA ALA 73 -5.976 -8.713 1.752 526 1HB ALA 73 3HB ALA 73 -4.507 -10.451 0.695 527 2HB ALA 73 2HB ALA 73 -4.444 -9.447 -0.754 528 3HB ALA 73 1HB ALA 73 -3.773 -8.849 0.763 529 H LEU 74 HN LEU 74 -6.434 -8.251 -1.774 530 HA LEU 74 HA LEU 74 -5.504 -5.560 -1.821 531 1HB LEU 74 2HB LEU 74 -6.580 -5.361 -3.983 532 2HB LEU 74 1HB LEU 74 -5.859 -6.959 -3.851 533 HG LEU 74 HG LEU 74 -8.262 -7.621 -2.961 534 1HD1 LEU 74 2HD1 LEU 74 -8.678 -4.918 -3.569 535 2HD1 LEU 74 1HD1 LEU 74 -9.372 -5.777 -4.942 536 3HD1 LEU 74 3HD1 LEU 74 -9.932 -6.129 -3.308 537 1HD2 LEU 74 1HD2 LEU 74 -7.132 -8.500 -4.984 538 2HD2 LEU 74 3HD2 LEU 74 -8.853 -8.236 -5.267 539 3HD2 LEU 74 2HD2 LEU 74 -7.670 -7.084 -5.887 540 H ASN 75 HN ASN 75 -8.792 -6.839 -1.258 541 HA ASN 75 HA ASN 75 -9.941 -4.174 -1.086 542 1HB ASN 75 2HB ASN 75 -11.979 -5.279 -0.334 543 2HB ASN 75 1HB ASN 75 -11.299 -6.175 -1.689 544 1HD2 ASN 75 2HD2 ASN 75 -12.032 -8.203 1.614 545 2HD2 ASN 75 1HD2 ASN 75 -12.804 -6.766 1.144 546 H ALA 76 HN ALA 76 -8.394 -6.350 1.178 547 HA ALA 76 HA ALA 76 -9.384 -5.184 3.605 548 1HB ALA 76 3HB ALA 76 -7.928 -7.345 3.186 549 2HB ALA 76 2HB ALA 76 -6.578 -6.234 3.401 550 3HB ALA 76 1HB ALA 76 -7.756 -6.450 4.694 551 H LEU 77 HN LEU 77 -6.250 -4.644 1.939 552 HA LEU 77 HA LEU 77 -5.503 -2.398 3.541 553 1HB LEU 77 2HB LEU 77 -4.674 -2.913 0.677 554 2HB LEU 77 1HB LEU 77 -3.793 -1.987 1.891 555 HG LEU 77 HG LEU 77 -4.349 -4.608 2.957 556 1HD1 LEU 77 3HD1 LEU 77 -4.317 -4.881 0.289 557 2HD1 LEU 77 2HD1 LEU 77 -2.577 -4.895 0.582 558 3HD1 LEU 77 1HD1 LEU 77 -3.614 -6.088 1.365 559 1HD2 LEU 77 2HD2 LEU 77 -2.504 -3.068 3.612 560 2HD2 LEU 77 1HD2 LEU 77 -1.911 -4.673 3.185 561 3HD2 LEU 77 3HD2 LEU 77 -1.746 -3.339 2.043 562 H GLU 78 HN GLU 78 -7.576 -2.693 0.729 563 HA GLU 78 HA GLU 78 -7.558 0.031 -0.128 564 1HB GLU 78 2HB GLU 78 -8.550 -1.724 -1.500 565 2HB GLU 78 1HB GLU 78 -9.746 -2.070 -0.257 566 1HG GLU 78 2HG GLU 78 -10.943 -0.103 -0.673 567 2HG GLU 78 1HG GLU 78 -9.559 0.705 -1.406 568 H GLU 79 HN GLU 79 -9.976 -1.606 1.968 569 HA GLU 79 HA GLU 79 -11.366 0.757 2.709 570 1HB GLU 79 2HB GLU 79 -12.168 -0.603 4.656 571 2HB GLU 79 1HB GLU 79 -12.327 -1.436 3.110 572 1HG GLU 79 2HG GLU 79 -10.527 -2.872 3.549 573 2HG GLU 79 1HG GLU 79 -9.845 -1.799 4.771 574 H THR 80 HN THR 80 -8.352 -0.584 3.885 575 HA THR 80 HA THR 80 -8.272 0.931 6.357 576 HB THR 80 HB THR 80 -5.934 -0.154 4.757 577 HG1 THR 80 HG1 THR 80 -7.635 -1.369 6.669 578 1HG2 THR 80 2HG2 THR 80 -5.351 1.403 6.580 579 2HG2 THR 80 1HG2 THR 80 -6.296 0.433 7.710 580 3HG2 THR 80 3HG2 THR 80 -4.846 -0.243 6.967 581 H MET 81 HN MET 81 -7.258 1.492 3.039 582 HA MET 81 HA MET 81 -5.760 3.909 3.563 583 1HB MET 81 2HB MET 81 -6.912 2.582 1.121 584 2HB MET 81 1HB MET 81 -6.285 4.225 1.008 585 1HG MET 81 2HG MET 81 -4.528 2.321 2.441 586 2HG MET 81 1HG MET 81 -4.751 1.974 0.727 587 1HE MET 81 1HE MET 81 -2.446 1.999 0.922 588 2HE MET 81 3HE MET 81 -2.068 3.065 -0.438 589 3HE MET 81 2HE MET 81 -1.352 3.361 1.144 590 H LYS 82 HN LYS 82 -9.134 3.155 2.955 591 HA LYS 82 HA LYS 82 -9.872 5.973 2.565 592 1HB LYS 82 2HB LYS 82 -11.280 3.338 2.494 593 2HB LYS 82 1HB LYS 82 -12.246 4.779 2.820 594 1HG LYS 82 2HG LYS 82 -11.576 5.808 0.766 595 2HG LYS 82 1HG LYS 82 -10.318 4.602 0.497 596 1HD LYS 82 2HD LYS 82 -11.840 2.952 -0.119 597 2HD LYS 82 1HD LYS 82 -13.167 3.703 0.766 598 1HE LYS 82 2HE LYS 82 -13.272 5.518 -0.877 599 2HE LYS 82 1HE LYS 82 -11.894 4.837 -1.743 600 1HZ LYS 82 3HZ LYS 82 -14.466 3.424 -1.293 601 2HZ LYS 82 2HZ LYS 82 -14.051 4.235 -2.728 602 3HZ LYS 82 1HZ LYS 82 -13.162 2.877 -2.228 603 H SER 83 HN SER 83 -9.607 3.736 5.218 604 HA SER 83 HA SER 83 -11.457 5.183 6.960 605 1HB SER 83 2HB SER 83 -10.463 3.680 8.729 606 2HB SER 83 1HB SER 83 -11.169 2.823 7.363 607 HG SER 83 HG SER 83 -8.731 2.614 8.273 608 H GLU 84 HN GLU 84 -7.902 4.700 6.965 609 HA GLU 84 HA GLU 84 -7.480 6.767 8.956 610 1HB GLU 84 2HB GLU 84 -5.554 5.400 7.053 611 2HB GLU 84 1HB GLU 84 -5.071 6.467 8.372 612 1HG GLU 84 2HG GLU 84 -6.596 4.836 9.805 613 2HG GLU 84 1HG GLU 84 -6.240 3.713 8.493 614 H GLY 85 HN GLY 85 -7.647 6.697 5.458 615 1HA GLY 85 2HA GLY 85 -7.992 8.622 4.077 616 2HA GLY 85 1HA GLY 85 -7.478 9.647 5.420 617 H LEU 86 HN LEU 86 -5.779 6.830 4.100 618 HA LEU 86 HA LEU 86 -3.312 8.391 3.888 619 1HB LEU 86 2HB LEU 86 -4.010 5.509 3.293 620 2HB LEU 86 1HB LEU 86 -2.399 6.179 3.030 621 HG LEU 86 HG LEU 86 -3.871 6.270 5.679 622 1HD1 LEU 86 2HD1 LEU 86 -3.227 3.956 4.896 623 2HD1 LEU 86 1HD1 LEU 86 -1.550 4.500 4.872 624 3HD1 LEU 86 3HD1 LEU 86 -2.442 4.462 6.392 625 1HD2 LEU 86 3HD2 LEU 86 -1.104 7.054 4.743 626 2HD2 LEU 86 2HD2 LEU 86 -2.287 8.043 5.600 627 3HD2 LEU 86 1HD2 LEU 86 -1.452 6.737 6.443 628 H GLY 87 HN GLY 87 -5.333 6.529 1.586 629 1HA GLY 87 2HA GLY 87 -4.835 8.535 -0.500 630 2HA GLY 87 1HA GLY 87 -4.109 6.959 -0.816 631 H GLU 88 HN GLU 88 -6.395 8.407 -2.155 632 HA GLU 88 HA GLU 88 -8.273 6.108 -2.114 633 1HB GLU 88 2HB GLU 88 -10.200 7.772 -2.202 634 2HB GLU 88 1HB GLU 88 -9.395 7.630 -0.641 635 1HG GLU 88 2HG GLU 88 -8.207 9.649 -2.442 636 2HG GLU 88 1HG GLU 88 -9.858 10.006 -1.937 No H/Q in entry = 636 Start of MODEL 10 1 1H ALA 2 1HT ALA 2 -5.486 -9.122 -10.323 2 2H ALA 2 3HT ALA 2 -5.055 -10.519 -9.465 3 3H ALA 2 2HT ALA 2 -6.586 -10.412 -10.193 4 HA ALA 2 HA ALA 2 -7.370 -8.871 -8.655 5 1HB ALA 2 1HB ALA 2 -6.648 -11.327 -7.850 6 2HB ALA 2 3HB ALA 2 -5.600 -10.383 -6.789 7 3HB ALA 2 2HB ALA 2 -7.348 -10.150 -6.739 8 H GLN 3 HN GLN 3 -6.175 -6.893 -9.312 9 HA GLN 3 HA GLN 3 -4.218 -6.100 -7.201 10 1HB GLN 3 2HB GLN 3 -3.013 -4.765 -8.963 11 2HB GLN 3 1HB GLN 3 -2.892 -6.509 -9.191 12 1HG GLN 3 2HG GLN 3 -4.907 -6.318 -10.739 13 2HG GLN 3 1HG GLN 3 -4.679 -4.571 -10.672 14 1HE2 GLN 3 2HE2 GLN 3 -1.249 -5.072 -12.139 15 2HE2 GLN 3 1HE2 GLN 3 -1.811 -4.495 -10.645 16 H LYS 4 HN LYS 4 -4.188 -3.749 -6.826 17 HA LYS 4 HA LYS 4 -6.493 -2.257 -7.971 18 1HB LYS 4 2HB LYS 4 -6.826 -3.472 -5.581 19 2HB LYS 4 1HB LYS 4 -6.087 -1.965 -5.040 20 1HG LYS 4 2HG LYS 4 -8.347 -1.912 -7.026 21 2HG LYS 4 1HG LYS 4 -8.683 -2.066 -5.301 22 1HD LYS 4 2HD LYS 4 -6.848 -0.020 -5.323 23 2HD LYS 4 1HD LYS 4 -7.719 0.269 -6.829 24 1HE LYS 4 2HE LYS 4 -9.797 -0.262 -5.148 25 2HE LYS 4 1HE LYS 4 -8.658 0.491 -4.031 26 1HZ LYS 4 2HZ LYS 4 -9.553 1.636 -6.622 27 2HZ LYS 4 1HZ LYS 4 -10.078 2.134 -5.084 28 3HZ LYS 4 3HZ LYS 4 -8.461 2.362 -5.541 29 H THR 5 HN THR 5 -5.952 -0.162 -8.387 30 HA THR 5 HA THR 5 -3.270 0.769 -7.519 31 HB THR 5 HB THR 5 -5.202 2.063 -9.466 32 HG1 THR 5 HG1 THR 5 -3.952 1.043 -11.040 33 1HG2 THR 5 3HG2 THR 5 -3.304 3.408 -8.370 34 2HG2 THR 5 2HG2 THR 5 -2.207 2.381 -9.291 35 3HG2 THR 5 1HG2 THR 5 -3.367 3.408 -10.132 36 H PHE 6 HN PHE 6 -3.001 2.530 -6.164 37 HA PHE 6 HA PHE 6 -5.500 3.839 -5.159 38 1HB PHE 6 2HB PHE 6 -2.988 3.118 -3.620 39 2HB PHE 6 1HB PHE 6 -4.345 4.033 -2.963 40 HD1 PHE 6 1HD PHE 6 -3.295 0.743 -4.309 41 HD2 PHE 6 2HD PHE 6 -6.403 2.961 -2.342 42 HE1 PHE 6 1HE PHE 6 -4.475 -1.375 -3.787 43 HE2 PHE 6 2HE PHE 6 -7.582 0.841 -1.819 44 HZ PHE 6 HZ PHE 6 -6.620 -1.326 -2.542 45 H LYS 7 HN LYS 7 -5.109 6.047 -4.277 46 HA LYS 7 HA LYS 7 -2.861 7.406 -5.717 47 1HB LYS 7 2HB LYS 7 -5.734 7.935 -5.658 48 2HB LYS 7 1HB LYS 7 -4.806 9.349 -5.165 49 1HG LYS 7 2HG LYS 7 -3.859 7.836 -7.561 50 2HG LYS 7 1HG LYS 7 -5.299 8.839 -7.738 51 1HD LYS 7 2HD LYS 7 -2.951 10.033 -6.332 52 2HD LYS 7 1HD LYS 7 -2.845 9.844 -8.083 53 1HE LYS 7 2HE LYS 7 -4.896 11.114 -8.394 54 2HE LYS 7 1HE LYS 7 -5.147 11.202 -6.651 55 1HZ LYS 7 1HZ LYS 7 -2.837 12.355 -8.120 56 2HZ LYS 7 3HZ LYS 7 -4.159 13.233 -7.522 57 3HZ LYS 7 2HZ LYS 7 -3.101 12.455 -6.445 58 H VAL 8 HN VAL 8 -1.426 8.369 -4.386 59 HA VAL 8 HA VAL 8 -1.890 8.443 -1.507 60 HB VAL 8 HB VAL 8 0.408 9.732 -2.999 61 1HG1 VAL 8 2HG1 VAL 8 0.035 10.135 -0.517 62 2HG1 VAL 8 1HG1 VAL 8 0.316 8.409 -0.279 63 3HG1 VAL 8 3HG1 VAL 8 1.596 9.429 -0.936 64 1HG2 VAL 8 2HG2 VAL 8 -0.184 6.843 -2.426 65 2HG2 VAL 8 1HG2 VAL 8 0.571 7.564 -3.847 66 3HG2 VAL 8 3HG2 VAL 8 1.486 7.405 -2.347 67 H THR 9 HN THR 9 -2.835 10.104 -0.440 68 HA THR 9 HA THR 9 -2.701 12.831 -1.659 69 HB THR 9 HB THR 9 -5.110 11.725 -0.195 70 HG1 THR 9 HG1 THR 9 -5.948 11.238 -2.131 71 1HG2 THR 9 3HG2 THR 9 -4.337 14.342 -0.919 72 2HG2 THR 9 2HG2 THR 9 -5.567 13.864 -2.087 73 3HG2 THR 9 1HG2 THR 9 -5.925 13.815 -0.362 74 H ALA 10 HN ALA 10 -1.732 11.037 0.937 75 HA ALA 10 HA ALA 10 -2.474 12.760 3.133 76 1HB ALA 10 2HB ALA 10 -0.609 10.473 2.713 77 2HB ALA 10 1HB ALA 10 -0.282 11.536 4.082 78 3HB ALA 10 3HB ALA 10 -1.835 10.708 3.958 79 H ASP 11 HN ASP 11 -1.199 14.374 4.138 80 HA ASP 11 HA ASP 11 0.425 15.982 2.402 81 1HB ASP 11 2HB ASP 11 -0.881 16.516 4.678 82 2HB ASP 11 1HB ASP 11 0.721 16.236 5.362 83 H SER 12 HN SER 12 1.201 13.601 4.909 84 HA SER 12 HA SER 12 4.082 14.071 4.704 85 1HB SER 12 2HB SER 12 4.057 11.806 6.033 86 2HB SER 12 1HB SER 12 3.489 13.274 6.821 87 HG SER 12 HG SER 12 1.582 12.412 6.929 88 H GLY 13 HN GLY 13 1.715 11.898 3.285 89 1HA GLY 13 2HA GLY 13 2.098 10.831 1.140 90 2HA GLY 13 1HA GLY 13 3.833 10.885 1.459 91 H ILE 14 HN ILE 14 4.121 8.630 1.140 92 HA ILE 14 HA ILE 14 2.800 6.887 3.180 93 HB ILE 14 HB ILE 14 4.031 6.047 0.542 94 1HG1 ILE 14 2HG1 ILE 14 1.104 6.343 1.286 95 2HG1 ILE 14 1HG1 ILE 14 1.997 7.492 0.290 96 1HG2 ILE 14 2HG2 ILE 14 2.576 4.645 2.772 97 2HG2 ILE 14 1HG2 ILE 14 2.484 4.017 1.126 98 3HG2 ILE 14 3HG2 ILE 14 4.047 4.157 1.929 99 1HD1 ILE 14 3HD1 ILE 14 1.811 4.550 -0.387 100 2HD1 ILE 14 2HD1 ILE 14 0.659 5.742 -0.989 101 3HD1 ILE 14 1HD1 ILE 14 2.363 5.864 -1.425 102 1HN HIP 15 HN HIP 15 4.442 7.391 4.759 103 HA HIP 15 HA HIP 15 7.145 6.357 4.096 104 1HB HIP 15 1HB HIP 15 7.072 8.712 4.827 105 2HB HIP 15 2HB HIP 15 7.993 7.720 5.935 106 HD2 HIP 15 2HD HIP 15 4.203 8.927 5.866 107 HE2 HIP 15 2HE HIP 15 3.635 9.544 8.325 108 HE1 HIP 15 1HE HIP 15 5.634 9.132 9.819 109 H ALA 16 HN ALA 16 7.903 6.019 6.889 110 HA ALA 16 HA ALA 16 7.267 3.310 7.243 111 1HB ALA 16 2HB ALA 16 8.998 5.018 8.425 112 2HB ALA 16 1HB ALA 16 7.818 4.826 9.721 113 3HB ALA 16 3HB ALA 16 8.632 3.411 9.052 114 H ARG 17 HN ARG 17 5.563 6.132 8.648 115 HA ARG 17 HA ARG 17 3.986 4.709 10.526 116 1HB ARG 17 2HB ARG 17 3.752 7.306 9.130 117 2HB ARG 17 1HB ARG 17 2.249 6.649 9.768 118 1HG ARG 17 2HG ARG 17 3.879 6.195 11.880 119 2HG ARG 17 1HG ARG 17 4.652 7.633 11.212 120 1HD ARG 17 2HD ARG 17 3.077 8.690 12.507 121 2HD ARG 17 1HD ARG 17 2.085 8.432 11.072 122 HE ARG 17 HE ARG 17 1.313 6.287 12.262 123 1HH1 ARG 17 HH21 ARG 17 2.647 6.085 14.709 124 2HH1 ARG 17 HH22 ARG 17 1.753 7.062 15.826 125 1HH2 ARG 17 HH11 ARG 17 0.095 8.839 13.353 126 2HH2 ARG 17 HH12 ARG 17 0.307 8.621 15.058 127 HA PRO 18 HA PRO 18 0.568 4.016 7.265 128 1HB PRO 18 2HB PRO 18 1.126 4.618 4.635 129 2HB PRO 18 1HB PRO 18 0.328 5.733 5.759 130 1HG PRO 18 2HG PRO 18 3.168 5.730 4.804 131 2HG PRO 18 1HG PRO 18 2.136 7.099 5.251 132 1HD PRO 18 2HD PRO 18 4.116 6.041 6.895 133 2HD PRO 18 1HD PRO 18 2.725 6.979 7.471 134 H ALA 19 HN ALA 19 3.913 3.346 6.702 135 HA ALA 19 HA ALA 19 3.477 1.056 4.937 136 1HB ALA 19 2HB ALA 19 5.811 2.349 6.273 137 2HB ALA 19 1HB ALA 19 5.967 0.647 5.837 138 3HB ALA 19 3HB ALA 19 5.616 1.847 4.594 139 H THR 20 HN THR 20 3.586 1.668 8.375 140 HA THR 20 HA THR 20 3.945 -1.149 9.097 141 HB THR 20 HB THR 20 2.903 0.901 11.017 142 HG1 THR 20 HG1 THR 20 4.630 2.072 10.869 143 1HG2 THR 20 3HG2 THR 20 4.632 -1.543 11.050 144 2HG2 THR 20 2HG2 THR 20 4.849 -0.333 12.315 145 3HG2 THR 20 1HG2 THR 20 3.282 -1.114 12.100 146 H VAL 21 HN VAL 21 1.317 1.122 8.598 147 HA VAL 21 HA VAL 21 -0.736 -0.513 9.845 148 HB VAL 21 HB VAL 21 -1.062 1.614 7.735 149 1HG1 VAL 21 2HG1 VAL 21 -2.975 -0.014 8.479 150 2HG1 VAL 21 1HG1 VAL 21 -2.995 0.969 9.943 151 3HG1 VAL 21 3HG1 VAL 21 -3.310 1.715 8.376 152 1HG2 VAL 21 2HG2 VAL 21 0.275 2.289 9.819 153 2HG2 VAL 21 1HG2 VAL 21 -1.167 3.245 9.481 154 3HG2 VAL 21 3HG2 VAL 21 -1.205 2.003 10.732 155 H LEU 22 HN LEU 22 0.454 -0.007 6.572 156 HA LEU 22 HA LEU 22 -1.475 -1.719 5.285 157 1HB LEU 22 2HB LEU 22 1.248 -0.720 4.417 158 2HB LEU 22 1HB LEU 22 0.094 -1.531 3.355 159 HG LEU 22 HG LEU 22 -0.515 1.001 4.909 160 1HD1 LEU 22 2HD1 LEU 22 0.712 0.498 2.235 161 2HD1 LEU 22 1HD1 LEU 22 -0.513 1.766 2.320 162 3HD1 LEU 22 3HD1 LEU 22 0.928 1.863 3.333 163 1HD2 LEU 22 1HD2 LEU 22 -1.975 -0.653 2.837 164 2HD2 LEU 22 3HD2 LEU 22 -2.548 -0.134 4.423 165 3HD2 LEU 22 2HD2 LEU 22 -2.378 1.041 3.117 166 H VAL 23 HN VAL 23 1.937 -2.193 6.267 167 HA VAL 23 HA VAL 23 2.192 -4.855 5.298 168 HB VAL 23 HB VAL 23 4.117 -3.480 6.037 169 1HG1 VAL 23 1HG1 VAL 23 2.888 -2.532 8.041 170 2HG1 VAL 23 3HG1 VAL 23 3.194 -4.062 8.861 171 3HG1 VAL 23 2HG1 VAL 23 4.545 -3.045 8.358 172 1HG2 VAL 23 2HG2 VAL 23 3.904 -6.151 6.210 173 2HG2 VAL 23 1HG2 VAL 23 5.366 -5.300 6.706 174 3HG2 VAL 23 3HG2 VAL 23 4.183 -5.800 7.915 175 H GLN 24 HN GLN 24 0.688 -3.591 8.202 176 HA GLN 24 HA GLN 24 0.548 -6.089 9.640 177 1HB GLN 24 2HB GLN 24 -0.935 -3.469 9.825 178 2HB GLN 24 1HB GLN 24 -1.400 -4.847 10.819 179 1HG GLN 24 2HG GLN 24 1.477 -4.481 10.889 180 2HG GLN 24 1HG GLN 24 0.656 -2.994 11.353 181 1HE2 GLN 24 2HE2 GLN 24 0.735 -6.084 13.932 182 2HE2 GLN 24 1HE2 GLN 24 1.626 -6.081 12.488 183 H THR 25 HN THR 25 -1.731 -4.398 7.474 184 HA THR 25 HA THR 25 -3.835 -6.348 7.738 185 HB THR 25 HB THR 25 -3.382 -4.626 5.298 186 HG1 THR 25 HG1 THR 25 -4.335 -2.959 6.442 187 1HG2 THR 25 3HG2 THR 25 -5.820 -5.671 6.761 188 2HG2 THR 25 2HG2 THR 25 -5.888 -4.531 5.417 189 3HG2 THR 25 1HG2 THR 25 -5.254 -6.157 5.163 190 H ALA 26 HN ALA 26 -1.649 -5.763 4.956 191 HA ALA 26 HA ALA 26 -2.303 -8.111 3.524 192 1HB ALA 26 2HB ALA 26 0.165 -6.383 3.608 193 2HB ALA 26 1HB ALA 26 0.087 -7.809 2.574 194 3HB ALA 26 3HB ALA 26 -1.060 -6.489 2.344 195 H SER 27 HN SER 27 -0.294 -7.718 6.354 196 HA SER 27 HA SER 27 1.351 -10.030 6.125 197 1HB SER 27 2HB SER 27 1.862 -8.497 7.875 198 2HB SER 27 1HB SER 27 0.221 -8.556 8.511 199 HG SER 27 HG SER 27 0.654 -10.408 9.471 200 H LYS 28 HN LYS 28 -1.941 -9.637 7.409 201 HA LYS 28 HA LYS 28 -2.245 -12.346 8.313 202 1HB LYS 28 2HB LYS 28 -4.115 -10.091 7.664 203 2HB LYS 28 1HB LYS 28 -4.777 -11.711 7.885 204 1HG LYS 28 2HG LYS 28 -4.732 -11.334 10.109 205 2HG LYS 28 1HG LYS 28 -2.974 -11.397 10.014 206 1HD LYS 28 2HD LYS 28 -3.112 -9.277 10.851 207 2HD LYS 28 1HD LYS 28 -3.410 -8.851 9.165 208 1HE LYS 28 2HE LYS 28 -5.923 -9.511 9.902 209 2HE LYS 28 1HE LYS 28 -5.303 -8.949 11.455 210 1HZ LYS 28 1HZ LYS 28 -5.034 -7.407 8.937 211 2HZ LYS 28 3HZ LYS 28 -6.317 -7.194 10.025 212 3HZ LYS 28 2HZ LYS 28 -4.723 -6.869 10.519 213 H TYR 29 HN TYR 29 -2.502 -10.839 5.160 214 HA TYR 29 HA TYR 29 -3.837 -13.204 4.003 215 1HB TYR 29 2HB TYR 29 -2.837 -10.629 2.740 216 2HB TYR 29 1HB TYR 29 -3.692 -11.907 1.873 217 HD1 TYR 29 2HD TYR 29 -6.006 -12.607 2.703 218 HD2 TYR 29 1HD TYR 29 -4.041 -9.011 3.992 219 HE1 TYR 29 2HE TYR 29 -8.178 -11.701 3.483 220 HE2 TYR 29 1HE TYR 29 -6.213 -8.106 4.775 221 HH TYR 29 HH TYR 29 -8.835 -9.876 5.361 222 H ASP 30 HN ASP 30 -2.744 -14.862 3.115 223 HA ASP 30 HA ASP 30 0.146 -14.951 3.185 224 1HB ASP 30 2HB ASP 30 -1.798 -16.838 1.822 225 2HB ASP 30 1HB ASP 30 -0.112 -17.183 2.211 226 H ALA 31 HN ALA 31 -2.176 -13.989 0.775 227 HA ALA 31 HA ALA 31 -0.727 -14.490 -1.608 228 1HB ALA 31 2HB ALA 31 -3.086 -13.653 -1.493 229 2HB ALA 31 1HB ALA 31 -2.461 -12.073 -1.019 230 3HB ALA 31 3HB ALA 31 -2.079 -12.731 -2.610 231 H ASP 32 HN ASP 32 0.755 -13.193 -2.789 232 HA ASP 32 HA ASP 32 2.455 -11.474 -1.096 233 1HB ASP 32 2HB ASP 32 2.759 -12.602 -3.889 234 2HB ASP 32 1HB ASP 32 3.916 -11.470 -3.185 235 H VAL 33 HN VAL 33 1.212 -9.571 -0.896 236 HA VAL 33 HA VAL 33 0.358 -8.186 -3.370 237 HB VAL 33 HB VAL 33 -0.701 -6.572 -1.807 238 1HG1 VAL 33 1HG1 VAL 33 -1.378 -9.321 -2.178 239 2HG1 VAL 33 3HG1 VAL 33 -1.773 -8.906 -0.508 240 3HG1 VAL 33 2HG1 VAL 33 -2.462 -7.974 -1.838 241 1HG2 VAL 33 3HG2 VAL 33 1.123 -7.832 0.056 242 2HG2 VAL 33 2HG2 VAL 33 0.144 -6.384 0.276 243 3HG2 VAL 33 1HG2 VAL 33 -0.529 -7.969 0.655 244 H ASN 34 HN ASN 34 2.127 -7.283 -4.350 245 HA ASN 34 HA ASN 34 4.060 -5.770 -2.658 246 1HB ASN 34 2HB ASN 34 4.258 -6.693 -5.541 247 2HB ASN 34 1HB ASN 34 5.523 -5.840 -4.656 248 1HD2 ASN 34 2HD2 ASN 34 6.778 -8.980 -3.653 249 2HD2 ASN 34 1HD2 ASN 34 7.086 -7.500 -4.426 250 H LEU 35 HN LEU 35 4.297 -3.580 -2.887 251 HA LEU 35 HA LEU 35 2.299 -2.163 -4.545 252 1HB LEU 35 2HB LEU 35 2.786 -1.566 -2.120 253 2HB LEU 35 1HB LEU 35 4.354 -0.973 -2.665 254 HG LEU 35 HG LEU 35 2.003 0.001 -4.194 255 1HD1 LEU 35 2HD1 LEU 35 2.372 0.445 -1.267 256 2HD1 LEU 35 1HD1 LEU 35 1.938 1.844 -2.247 257 3HD1 LEU 35 3HD1 LEU 35 0.889 0.426 -2.222 258 1HD2 LEU 35 1HD2 LEU 35 4.706 0.900 -3.332 259 2HD2 LEU 35 3HD2 LEU 35 3.895 1.108 -4.884 260 3HD2 LEU 35 2HD2 LEU 35 3.490 2.162 -3.528 261 H GLU 36 HN GLU 36 2.928 -0.578 -6.124 262 HA GLU 36 HA GLU 36 5.765 -0.831 -7.052 263 1HB GLU 36 2HB GLU 36 3.941 -1.897 -8.512 264 2HB GLU 36 1HB GLU 36 3.405 -0.250 -8.850 265 1HG GLU 36 2HG GLU 36 5.287 0.261 -10.079 266 2HG GLU 36 1HG GLU 36 6.314 -0.839 -9.158 267 H TYR 37 HN TYR 37 6.851 1.078 -7.388 268 HA TYR 37 HA TYR 37 5.424 3.593 -7.833 269 1HB TYR 37 2HB TYR 37 5.268 3.267 -5.351 270 2HB TYR 37 1HB TYR 37 7.030 3.257 -5.283 271 HD1 TYR 37 1HD TYR 37 4.249 5.325 -6.736 272 HD2 TYR 37 2HD TYR 37 8.111 5.274 -4.855 273 HE1 TYR 37 1HE TYR 37 4.265 7.806 -6.700 274 HE2 TYR 37 2HE TYR 37 8.127 7.753 -4.819 275 HH TYR 37 HH TYR 37 5.855 9.605 -4.890 276 H ASN 38 HN ASN 38 6.691 4.762 -9.171 277 HA ASN 38 HA ASN 38 8.583 5.601 -10.261 278 1HB ASN 38 2HB ASN 38 9.196 5.889 -7.696 279 2HB ASN 38 1HB ASN 38 10.377 4.633 -8.070 280 1HD2 ASN 38 2HD2 ASN 38 11.718 8.129 -8.842 281 2HD2 ASN 38 1HD2 ASN 38 10.908 7.523 -7.479 282 H GLY 39 HN GLY 39 7.810 2.614 -10.345 283 1HA GLY 39 2HA GLY 39 8.625 0.990 -11.888 284 2HA GLY 39 1HA GLY 39 10.184 1.804 -11.876 285 H LYS 40 HN LYS 40 9.880 1.724 -8.745 286 HA LYS 40 HA LYS 40 11.257 -0.871 -8.481 287 1HB LYS 40 2HB LYS 40 10.707 1.257 -6.388 288 2HB LYS 40 1HB LYS 40 11.816 -0.105 -6.229 289 1HG LYS 40 2HG LYS 40 12.755 0.989 -8.524 290 2HG LYS 40 1HG LYS 40 12.145 2.438 -7.725 291 1HD LYS 40 2HD LYS 40 14.007 0.431 -6.423 292 2HD LYS 40 1HD LYS 40 14.536 1.941 -7.165 293 1HE LYS 40 2HE LYS 40 12.773 3.054 -5.600 294 2HE LYS 40 1HE LYS 40 12.857 1.541 -4.697 295 1HZ LYS 40 3HZ LYS 40 15.398 1.946 -4.878 296 2HZ LYS 40 2HZ LYS 40 14.943 3.563 -5.134 297 3HZ LYS 40 1HZ LYS 40 14.496 2.768 -3.701 298 H THR 41 HN THR 41 10.161 -2.666 -7.888 299 HA THR 41 HA THR 41 7.482 -2.331 -6.619 300 HB THR 41 HB THR 41 8.645 -4.798 -7.941 301 HG1 THR 41 HG1 THR 41 8.252 -3.752 -9.702 302 1HG2 THR 41 1HG2 THR 41 6.621 -4.756 -6.211 303 2HG2 THR 41 3HG2 THR 41 5.728 -4.227 -7.637 304 3HG2 THR 41 2HG2 THR 41 6.573 -5.776 -7.650 305 H VAL 42 HN VAL 42 7.814 -2.321 -4.429 306 HA VAL 42 HA VAL 42 9.599 -4.420 -3.273 307 HB VAL 42 HB VAL 42 9.092 -3.027 -1.095 308 1HG1 VAL 42 3HG1 VAL 42 11.207 -3.198 -2.795 309 2HG1 VAL 42 2HG1 VAL 42 10.880 -1.466 -2.850 310 3HG1 VAL 42 1HG1 VAL 42 11.206 -2.256 -1.305 311 1HG2 VAL 42 3HG2 VAL 42 7.407 -1.549 -2.192 312 2HG2 VAL 42 2HG2 VAL 42 8.755 -0.639 -1.509 313 3HG2 VAL 42 1HG2 VAL 42 8.674 -0.926 -3.247 314 H ASN 43 HN ASN 43 8.792 -5.824 -1.683 315 HA ASN 43 HA ASN 43 6.008 -6.542 -1.904 316 1HB ASN 43 2HB ASN 43 8.009 -8.037 -1.228 317 2HB ASN 43 1HB ASN 43 7.828 -7.329 0.378 318 1HD2 ASN 43 2HD2 ASN 43 5.660 -10.457 -0.109 319 2HD2 ASN 43 1HD2 ASN 43 7.278 -10.165 -0.532 320 H LEU 44 HN LEU 44 4.297 -6.072 -0.450 321 HA LEU 44 HA LEU 44 4.476 -3.610 0.995 322 1HB LEU 44 2HB LEU 44 2.343 -4.652 0.122 323 2HB LEU 44 1HB LEU 44 2.412 -5.752 1.503 324 HG LEU 44 HG LEU 44 2.778 -3.494 2.845 325 1HD1 LEU 44 1HD1 LEU 44 1.398 -2.631 0.312 326 2HD1 LEU 44 3HD1 LEU 44 1.340 -1.703 1.815 327 3HD1 LEU 44 2HD1 LEU 44 2.888 -1.991 1.013 328 1HD2 LEU 44 1HD2 LEU 44 0.387 -4.977 1.991 329 2HD2 LEU 44 3HD2 LEU 44 0.942 -4.541 3.608 330 3HD2 LEU 44 2HD2 LEU 44 0.074 -3.362 2.624 331 H LYS 45 HN LYS 45 5.484 -6.780 1.870 332 HA LYS 45 HA LYS 45 5.281 -6.247 4.761 333 1HB LYS 45 2HB LYS 45 6.634 -8.531 3.285 334 2HB LYS 45 1HB LYS 45 6.294 -8.466 5.014 335 1HG LYS 45 2HG LYS 45 4.078 -8.946 4.732 336 2HG LYS 45 1HG LYS 45 3.960 -8.007 3.244 337 1HD LYS 45 2HD LYS 45 5.231 -9.820 2.066 338 2HD LYS 45 1HD LYS 45 5.156 -10.776 3.547 339 1HE LYS 45 2HE LYS 45 2.574 -9.665 2.589 340 2HE LYS 45 1HE LYS 45 3.287 -10.936 1.594 341 1HZ LYS 45 1HZ LYS 45 3.590 -12.169 3.784 342 2HZ LYS 45 3HZ LYS 45 2.493 -11.052 4.438 343 3HZ LYS 45 2HZ LYS 45 2.013 -12.064 3.160 344 H SER 46 HN SER 46 6.706 -4.225 3.556 345 HA SER 46 HA SER 46 9.403 -4.650 4.688 346 1HB SER 46 2HB SER 46 9.517 -5.302 2.240 347 2HB SER 46 1HB SER 46 9.078 -3.643 1.838 348 HG SER 46 HG SER 46 11.380 -4.624 3.157 349 H ILE 47 HN ILE 47 8.545 -3.108 6.217 350 HA ILE 47 HA ILE 47 7.528 -0.537 5.472 351 HB ILE 47 HB ILE 47 8.988 -1.276 8.023 352 1HG1 ILE 47 2HG1 ILE 47 6.069 -1.561 7.213 353 2HG1 ILE 47 1HG1 ILE 47 7.179 -2.867 7.604 354 1HG2 ILE 47 3HG2 ILE 47 8.461 1.189 7.376 355 2HG2 ILE 47 2HG2 ILE 47 6.777 0.749 7.662 356 3HG2 ILE 47 1HG2 ILE 47 7.953 0.628 8.970 357 1HD1 ILE 47 2HD1 ILE 47 7.442 -1.599 9.891 358 2HD1 ILE 47 1HD1 ILE 47 5.894 -0.879 9.447 359 3HD1 ILE 47 3HD1 ILE 47 6.035 -2.629 9.621 360 H MET 48 HN MET 48 10.798 -1.727 6.126 361 HA MET 48 HA MET 48 12.045 0.890 5.923 362 1HB MET 48 2HB MET 48 13.062 -1.052 7.143 363 2HB MET 48 1HB MET 48 13.314 -1.844 5.588 364 1HG MET 48 2HG MET 48 14.551 0.319 4.904 365 2HG MET 48 1HG MET 48 14.583 0.689 6.627 366 1HE MET 48 1HE MET 48 15.505 -0.379 8.311 367 2HE MET 48 3HE MET 48 16.860 -1.517 8.302 368 3HE MET 48 2HE MET 48 17.087 0.133 7.728 369 H GLY 49 HN GLY 49 11.222 -1.691 3.686 370 1HA GLY 49 2HA GLY 49 12.868 -0.859 1.490 371 2HA GLY 49 1HA GLY 49 11.399 -1.826 1.349 372 H VAL 50 HN VAL 50 9.651 0.122 2.591 373 HA VAL 50 HA VAL 50 9.004 1.713 0.275 374 HB VAL 50 HB VAL 50 8.012 2.031 3.126 375 1HG1 VAL 50 2HG1 VAL 50 7.036 2.991 0.431 376 2HG1 VAL 50 1HG1 VAL 50 5.959 2.872 1.822 377 3HG1 VAL 50 3HG1 VAL 50 7.357 3.947 1.878 378 1HG2 VAL 50 2HG2 VAL 50 7.781 -0.284 2.045 379 2HG2 VAL 50 1HG2 VAL 50 6.283 0.474 2.587 380 3HG2 VAL 50 3HG2 VAL 50 6.708 0.485 0.875 381 H VAL 51 HN VAL 51 10.873 2.295 3.187 382 HA VAL 51 HA VAL 51 10.929 5.161 3.056 383 HB VAL 51 HB VAL 51 13.084 3.311 4.122 384 1HG1 VAL 51 2HG1 VAL 51 12.398 6.225 4.481 385 2HG1 VAL 51 1HG1 VAL 51 13.288 5.348 5.725 386 3HG1 VAL 51 3HG1 VAL 51 13.959 5.499 4.101 387 1HG2 VAL 51 3HG2 VAL 51 10.480 4.295 5.299 388 2HG2 VAL 51 2HG2 VAL 51 11.087 2.641 5.220 389 3HG2 VAL 51 1HG2 VAL 51 11.828 3.800 6.324 390 H SER 52 HN SER 52 12.839 2.635 1.491 391 HA SER 52 HA SER 52 14.918 4.305 0.456 392 1HB SER 52 2HB SER 52 15.388 2.483 -1.064 393 2HB SER 52 1HB SER 52 14.924 1.782 0.484 394 HG SER 52 HG SER 52 13.532 0.750 -0.721 395 H LEU 53 HN LEU 53 11.646 3.620 -0.642 396 HA LEU 53 HA LEU 53 11.949 4.771 -3.276 397 1HB LEU 53 2HB LEU 53 9.615 4.037 -1.527 398 2HB LEU 53 1HB LEU 53 9.348 4.980 -2.993 399 HG LEU 53 HG LEU 53 10.576 3.229 -4.289 400 1HD1 LEU 53 1HD1 LEU 53 10.770 2.061 -1.535 401 2HD1 LEU 53 3HD1 LEU 53 10.624 0.966 -2.911 402 3HD1 LEU 53 2HD1 LEU 53 11.975 2.096 -2.822 403 1HD2 LEU 53 3HD2 LEU 53 7.974 3.258 -3.526 404 2HD2 LEU 53 2HD2 LEU 53 8.649 2.020 -4.587 405 3HD2 LEU 53 1HD2 LEU 53 8.463 1.697 -2.863 406 H GLY 54 HN GLY 54 10.534 6.022 -0.237 407 1HA GLY 54 2HA GLY 54 10.495 8.238 0.568 408 2HA GLY 54 1HA GLY 54 11.501 8.708 -0.803 409 H ILE 55 HN ILE 55 8.187 7.413 -0.352 410 HA ILE 55 HA ILE 55 7.181 8.825 -2.677 411 HB ILE 55 HB ILE 55 5.618 7.616 -0.375 412 1HG1 ILE 55 2HG1 ILE 55 6.300 6.298 -3.010 413 2HG1 ILE 55 1HG1 ILE 55 7.312 6.101 -1.580 414 1HG2 ILE 55 1HG2 ILE 55 4.947 8.586 -3.141 415 2HG2 ILE 55 3HG2 ILE 55 4.006 7.280 -2.421 416 3HG2 ILE 55 2HG2 ILE 55 4.080 8.854 -1.629 417 1HD1 ILE 55 2HD1 ILE 55 4.345 5.597 -1.441 418 2HD1 ILE 55 1HD1 ILE 55 5.445 4.343 -2.012 419 3HD1 ILE 55 3HD1 ILE 55 5.618 4.991 -0.381 420 H ALA 56 HN ALA 56 5.435 10.480 -2.530 421 HA ALA 56 HA ALA 56 5.500 12.114 -0.048 422 1HB ALA 56 1HB ALA 56 7.139 12.770 -2.124 423 2HB ALA 56 3HB ALA 56 5.682 13.661 -2.567 424 3HB ALA 56 2HB ALA 56 6.453 13.952 -1.008 425 H LYS 57 HN LYS 57 3.871 14.047 -0.411 426 HA LYS 57 HA LYS 57 1.288 12.932 -0.874 427 1HB LYS 57 2HB LYS 57 0.472 15.267 -0.726 428 2HB LYS 57 1HB LYS 57 1.628 14.905 0.554 429 1HG LYS 57 2HG LYS 57 3.429 15.896 -0.950 430 2HG LYS 57 1HG LYS 57 2.125 16.467 -1.992 431 1HD LYS 57 2HD LYS 57 2.298 17.096 0.967 432 2HD LYS 57 1HD LYS 57 2.915 18.164 -0.297 433 1HE LYS 57 2HE LYS 57 0.555 17.993 -1.331 434 2HE LYS 57 1HE LYS 57 0.059 17.344 0.232 435 1HZ LYS 57 1HZ LYS 57 1.295 19.412 1.136 436 2HZ LYS 57 3HZ LYS 57 1.070 20.026 -0.428 437 3HZ LYS 57 2HZ LYS 57 -0.275 19.585 0.511 438 H GLY 58 HN GLY 58 -0.215 13.349 -2.604 439 1HA GLY 58 2HA GLY 58 -0.833 13.568 -4.857 440 2HA GLY 58 1HA GLY 58 0.437 14.785 -4.990 441 H ALA 59 HN ALA 59 0.179 11.229 -4.628 442 HA ALA 59 HA ALA 59 2.172 10.966 -6.832 443 1HB ALA 59 3HB ALA 59 2.302 9.786 -4.065 444 2HB ALA 59 2HB ALA 59 3.053 8.950 -5.425 445 3HB ALA 59 1HB ALA 59 3.577 10.578 -4.991 446 H GLU 60 HN GLU 60 2.230 8.556 -7.547 447 HA GLU 60 HA GLU 60 -0.530 7.410 -7.377 448 1HB GLU 60 2HB GLU 60 1.302 7.695 -9.770 449 2HB GLU 60 1HB GLU 60 -0.071 6.587 -9.753 450 1HG GLU 60 2HG GLU 60 -1.345 8.771 -8.890 451 2HG GLU 60 1HG GLU 60 -0.045 9.574 -9.772 452 H ILE 61 HN ILE 61 -0.573 5.310 -6.732 453 HA ILE 61 HA ILE 61 1.945 3.713 -6.953 454 HB ILE 61 HB ILE 61 1.294 2.661 -4.758 455 1HG1 ILE 61 2HG1 ILE 61 -0.647 4.997 -4.656 456 2HG1 ILE 61 1HG1 ILE 61 -1.114 3.312 -4.875 457 1HG2 ILE 61 2HG2 ILE 61 2.867 4.722 -5.143 458 2HG2 ILE 61 1HG2 ILE 61 1.569 5.634 -4.373 459 3HG2 ILE 61 3HG2 ILE 61 2.366 4.324 -3.501 460 1HD1 ILE 61 3HD1 ILE 61 0.479 3.145 -2.648 461 2HD1 ILE 61 2HD1 ILE 61 -0.270 4.727 -2.427 462 3HD1 ILE 61 1HD1 ILE 61 -1.278 3.291 -2.605 463 H THR 62 HN THR 62 1.609 1.428 -7.243 464 HA THR 62 HA THR 62 -1.197 0.644 -7.912 465 HB THR 62 HB THR 62 1.096 -0.426 -9.521 466 HG1 THR 62 HG1 THR 62 -0.239 2.035 -9.972 467 1HG2 THR 62 3HG2 THR 62 -1.526 -1.002 -9.519 468 2HG2 THR 62 2HG2 THR 62 -1.548 0.360 -10.639 469 3HG2 THR 62 1HG2 THR 62 -0.554 -1.054 -10.989 470 H ILE 63 HN ILE 63 -1.657 -0.870 -6.386 471 HA ILE 63 HA ILE 63 0.465 -2.723 -5.466 472 HB ILE 63 HB ILE 63 -2.394 -2.319 -4.521 473 1HG1 ILE 63 2HG1 ILE 63 0.245 -1.518 -3.256 474 2HG1 ILE 63 1HG1 ILE 63 -0.818 -0.414 -4.129 475 1HG2 ILE 63 2HG2 ILE 63 -0.159 -4.131 -3.612 476 2HG2 ILE 63 1HG2 ILE 63 -1.396 -3.585 -2.480 477 3HG2 ILE 63 3HG2 ILE 63 -1.854 -4.529 -3.897 478 1HD1 ILE 63 2HD1 ILE 63 -2.652 -0.999 -2.522 479 2HD1 ILE 63 1HD1 ILE 63 -1.486 -1.953 -1.605 480 3HD1 ILE 63 3HD1 ILE 63 -1.275 -0.208 -1.752 481 H SER 64 HN SER 64 0.082 -5.049 -5.496 482 HA SER 64 HA SER 64 -2.086 -6.041 -7.240 483 1HB SER 64 2HB SER 64 -0.289 -7.372 -8.544 484 2HB SER 64 1HB SER 64 -0.499 -5.672 -8.951 485 HG SER 64 HG SER 64 1.268 -5.199 -7.614 486 H ALA 65 HN ALA 65 -2.918 -7.576 -5.917 487 HA ALA 65 HA ALA 65 -1.151 -9.156 -4.148 488 1HB ALA 65 2HB ALA 65 -3.491 -8.183 -3.536 489 2HB ALA 65 1HB ALA 65 -4.125 -9.549 -4.451 490 3HB ALA 65 3HB ALA 65 -3.116 -9.831 -3.034 491 H SER 66 HN SER 66 -0.520 -11.229 -4.635 492 HA SER 66 HA SER 66 -2.019 -12.729 -6.721 493 1HB SER 66 2HB SER 66 0.530 -11.495 -7.125 494 2HB SER 66 1HB SER 66 0.767 -13.239 -7.118 495 HG SER 66 HG SER 66 -1.053 -13.309 -8.607 496 H GLY 67 HN GLY 67 -2.669 -14.455 -5.509 497 1HA GLY 67 2HA GLY 67 -0.888 -16.493 -4.700 498 2HA GLY 67 1HA GLY 67 -1.236 -15.523 -3.268 499 H ALA 68 HN ALA 68 -2.672 -16.728 -2.102 500 HA ALA 68 HA ALA 68 -4.818 -18.222 -3.474 501 1HB ALA 68 1HB ALA 68 -3.665 -18.142 -0.724 502 2HB ALA 68 3HB ALA 68 -5.359 -18.612 -0.872 503 3HB ALA 68 2HB ALA 68 -4.111 -19.531 -1.714 504 H ASP 69 HN ASP 69 -4.738 -15.929 -0.721 505 HA ASP 69 HA ASP 69 -7.494 -15.078 -1.443 506 1HB ASP 69 2HB ASP 69 -7.414 -13.922 0.792 507 2HB ASP 69 1HB ASP 69 -7.199 -15.668 0.893 508 H GLU 70 HN GLU 70 -5.522 -14.229 -3.218 509 HA GLU 70 HA GLU 70 -4.358 -11.692 -2.638 510 1HB GLU 70 2HB GLU 70 -4.257 -11.424 -5.118 511 2HB GLU 70 1HB GLU 70 -3.659 -12.993 -4.582 512 1HG GLU 70 2HG GLU 70 -5.757 -14.059 -5.173 513 2HG GLU 70 1HG GLU 70 -6.492 -12.499 -5.543 514 H ASN 71 HN ASN 71 -7.593 -12.600 -3.681 515 HA ASN 71 HA ASN 71 -8.438 -9.929 -4.409 516 1HB ASN 71 2HB ASN 71 -9.830 -12.530 -3.840 517 2HB ASN 71 1HB ASN 71 -10.776 -11.046 -3.957 518 1HD2 ASN 71 2HD2 ASN 71 -9.556 -12.816 -7.333 519 2HD2 ASN 71 1HD2 ASN 71 -9.507 -13.569 -5.813 520 H ASP 72 HN ASP 72 -8.526 -11.836 -1.428 521 HA ASP 72 HA ASP 72 -10.092 -9.851 0.027 522 1HB ASP 72 2HB ASP 72 -8.497 -12.259 0.937 523 2HB ASP 72 1HB ASP 72 -9.460 -11.254 2.020 524 H ALA 73 HN ALA 73 -6.727 -10.264 -0.718 525 HA ALA 73 HA ALA 73 -5.781 -8.696 1.566 526 1HB ALA 73 1HB ALA 73 -4.423 -9.699 -0.945 527 2HB ALA 73 3HB ALA 73 -3.599 -8.742 0.287 528 3HB ALA 73 2HB ALA 73 -4.253 -10.330 0.694 529 H LEU 74 HN LEU 74 -6.208 -8.132 -1.943 530 HA LEU 74 HA LEU 74 -5.235 -5.437 -1.876 531 1HB LEU 74 2HB LEU 74 -6.236 -5.191 -4.089 532 2HB LEU 74 1HB LEU 74 -5.440 -6.754 -3.963 533 HG LEU 74 HG LEU 74 -7.856 -7.543 -3.190 534 1HD1 LEU 74 3HD1 LEU 74 -8.372 -4.865 -3.770 535 2HD1 LEU 74 2HD1 LEU 74 -8.915 -5.707 -5.220 536 3HD1 LEU 74 1HD1 LEU 74 -9.581 -6.142 -3.648 537 1HD2 LEU 74 3HD2 LEU 74 -6.660 -7.137 -5.901 538 2HD2 LEU 74 2HD2 LEU 74 -7.031 -8.638 -5.054 539 3HD2 LEU 74 1HD2 LEU 74 -8.326 -7.709 -5.808 540 H ASN 75 HN ASN 75 -8.529 -6.765 -1.555 541 HA ASN 75 HA ASN 75 -9.702 -4.105 -1.314 542 1HB ASN 75 2HB ASN 75 -11.784 -5.311 -0.736 543 2HB ASN 75 1HB ASN 75 -11.049 -5.955 -2.202 544 1HD2 ASN 75 2HD2 ASN 75 -11.853 -8.960 -0.273 545 2HD2 ASN 75 1HD2 ASN 75 -12.646 -7.795 -1.219 546 H ALA 76 HN ALA 76 -8.155 -6.329 0.846 547 HA ALA 76 HA ALA 76 -9.412 -5.448 3.291 548 1HB ALA 76 2HB ALA 76 -6.766 -6.787 2.683 549 2HB ALA 76 1HB ALA 76 -7.262 -6.378 4.325 550 3HB ALA 76 3HB ALA 76 -8.214 -7.518 3.374 551 H LEU 77 HN LEU 77 -6.204 -4.698 1.863 552 HA LEU 77 HA LEU 77 -5.633 -2.544 3.658 553 1HB LEU 77 2HB LEU 77 -4.637 -2.869 0.817 554 2HB LEU 77 1HB LEU 77 -3.867 -1.948 2.107 555 HG LEU 77 HG LEU 77 -4.351 -4.651 3.020 556 1HD1 LEU 77 1HD1 LEU 77 -4.094 -4.766 0.351 557 2HD1 LEU 77 3HD1 LEU 77 -2.386 -4.702 0.785 558 3HD1 LEU 77 2HD1 LEU 77 -3.409 -5.993 1.417 559 1HD2 LEU 77 2HD2 LEU 77 -1.881 -2.982 2.471 560 2HD2 LEU 77 1HD2 LEU 77 -2.673 -3.245 4.024 561 3HD2 LEU 77 3HD2 LEU 77 -1.824 -4.572 3.232 562 H GLU 78 HN GLU 78 -7.463 -2.726 0.653 563 HA GLU 78 HA GLU 78 -7.555 0.047 0.007 564 1HB GLU 78 2HB GLU 78 -8.375 -1.764 -1.483 565 2HB GLU 78 1HB GLU 78 -9.724 -2.040 -0.384 566 1HG GLU 78 2HG GLU 78 -9.455 0.779 -1.152 567 2HG GLU 78 1HG GLU 78 -9.723 -0.280 -2.535 568 H GLU 79 HN GLU 79 -9.932 -1.871 1.905 569 HA GLU 79 HA GLU 79 -11.559 0.343 2.650 570 1HB GLU 79 2HB GLU 79 -12.361 -1.132 4.491 571 2HB GLU 79 1HB GLU 79 -12.329 -1.958 2.934 572 1HG GLU 79 2HG GLU 79 -10.427 -3.216 3.493 573 2HG GLU 79 1HG GLU 79 -9.959 -2.108 4.784 574 H THR 80 HN THR 80 -8.494 -0.789 3.909 575 HA THR 80 HA THR 80 -8.619 0.633 6.428 576 HB THR 80 HB THR 80 -6.164 -0.166 4.831 577 HG1 THR 80 HG1 THR 80 -6.974 -2.073 5.205 578 1HG2 THR 80 2HG2 THR 80 -6.673 0.690 7.670 579 2HG2 THR 80 1HG2 THR 80 -5.305 -0.354 7.285 580 3HG2 THR 80 3HG2 THR 80 -5.427 1.245 6.553 581 H MET 81 HN MET 81 -7.547 1.403 3.166 582 HA MET 81 HA MET 81 -6.373 3.968 3.814 583 1HB MET 81 2HB MET 81 -7.331 2.670 1.257 584 2HB MET 81 1HB MET 81 -6.703 4.316 1.280 585 1HG MET 81 2HG MET 81 -5.035 2.324 2.700 586 2HG MET 81 1HG MET 81 -5.148 2.088 0.958 587 1HE MET 81 1HE MET 81 -4.074 3.057 -0.629 588 2HE MET 81 3HE MET 81 -4.891 4.624 -0.702 589 3HE MET 81 2HE MET 81 -3.132 4.545 -0.673 590 H LYS 82 HN LYS 82 -9.593 2.820 3.014 591 HA LYS 82 HA LYS 82 -10.676 5.520 2.643 592 1HB LYS 82 2HB LYS 82 -12.108 2.860 2.929 593 2HB LYS 82 1HB LYS 82 -12.818 4.369 2.351 594 1HG LYS 82 2HG LYS 82 -10.435 3.060 1.022 595 2HG LYS 82 1HG LYS 82 -12.099 2.747 0.529 596 1HD LYS 82 2HD LYS 82 -10.864 5.513 0.658 597 2HD LYS 82 1HD LYS 82 -10.976 4.550 -0.815 598 1HE LYS 82 2HE LYS 82 -13.510 4.377 -0.232 599 2HE LYS 82 1HE LYS 82 -13.198 5.763 0.814 600 1HZ LYS 82 1HZ LYS 82 -12.443 5.681 -2.051 601 2HZ LYS 82 3HZ LYS 82 -13.913 6.320 -1.495 602 3HZ LYS 82 2HZ LYS 82 -12.445 7.030 -1.019 603 H SER 83 HN SER 83 -10.138 3.368 5.308 604 HA SER 83 HA SER 83 -12.262 4.383 7.006 605 1HB SER 83 2HB SER 83 -11.009 3.219 8.817 606 2HB SER 83 1HB SER 83 -11.289 2.178 7.424 607 HG SER 83 HG SER 83 -9.046 2.440 8.456 608 H GLU 84 HN GLU 84 -8.714 4.900 6.961 609 HA GLU 84 HA GLU 84 -8.994 7.173 8.811 610 1HB GLU 84 2HB GLU 84 -6.722 5.652 7.592 611 2HB GLU 84 1HB GLU 84 -6.417 7.296 8.158 612 1HG GLU 84 2HG GLU 84 -7.646 6.518 10.325 613 2HG GLU 84 1HG GLU 84 -7.301 4.890 9.738 614 H GLY 85 HN GLY 85 -8.605 6.609 5.374 615 1HA GLY 85 2HA GLY 85 -9.075 8.207 3.661 616 2HA GLY 85 1HA GLY 85 -9.025 9.487 4.875 617 H LEU 86 HN LEU 86 -6.655 6.970 3.991 618 HA LEU 86 HA LEU 86 -4.486 8.930 4.109 619 1HB LEU 86 2HB LEU 86 -4.546 5.990 3.393 620 2HB LEU 86 1HB LEU 86 -3.071 6.953 3.483 621 HG LEU 86 HG LEU 86 -4.924 7.070 5.817 622 1HD1 LEU 86 3HD1 LEU 86 -3.478 4.635 4.878 623 2HD1 LEU 86 2HD1 LEU 86 -3.441 4.993 6.604 624 3HD1 LEU 86 1HD1 LEU 86 -4.985 4.767 5.784 625 1HD2 LEU 86 2HD2 LEU 86 -2.556 8.198 5.351 626 2HD2 LEU 86 1HD2 LEU 86 -2.985 7.630 6.964 627 3HD2 LEU 86 3HD2 LEU 86 -1.961 6.640 5.925 628 H GLY 87 HN GLY 87 -5.449 6.601 1.560 629 1HA GLY 87 2HA GLY 87 -5.080 8.751 -0.462 630 2HA GLY 87 1HA GLY 87 -4.159 7.258 -0.650 631 H GLU 88 HN GLU 88 -6.462 8.526 -2.225 632 HA GLU 88 HA GLU 88 -7.974 6.003 -2.558 633 1HB GLU 88 2HB GLU 88 -10.133 7.298 -2.610 634 2HB GLU 88 1HB GLU 88 -9.389 7.220 -1.014 635 1HG GLU 88 2HG GLU 88 -8.663 9.454 -1.105 636 2HG GLU 88 1HG GLU 88 -8.796 9.522 -2.862 No H/Q in entry = 636 Start of MODEL 11 1 1H ALA 2 2HT ALA 2 -5.306 -9.706 -9.895 2 2H ALA 2 1HT ALA 2 -6.736 -10.619 -9.986 3 3H ALA 2 3HT ALA 2 -6.757 -8.972 -10.389 4 HA ALA 2 HA ALA 2 -7.680 -9.037 -8.264 5 1HB ALA 2 2HB ALA 2 -6.674 -11.464 -8.007 6 2HB ALA 2 1HB ALA 2 -5.367 -10.617 -7.181 7 3HB ALA 2 3HB ALA 2 -7.018 -10.499 -6.571 8 H GLN 3 HN GLN 3 -6.062 -7.188 -9.568 9 HA GLN 3 HA GLN 3 -4.280 -6.215 -7.370 10 1HB GLN 3 2HB GLN 3 -3.114 -4.910 -9.200 11 2HB GLN 3 1HB GLN 3 -2.928 -6.658 -9.314 12 1HG GLN 3 2HG GLN 3 -4.733 -6.758 -10.982 13 2HG GLN 3 1HG GLN 3 -4.966 -5.015 -10.848 14 1HE2 GLN 3 2HE2 GLN 3 -2.678 -4.661 -13.517 15 2HE2 GLN 3 1HE2 GLN 3 -4.254 -4.388 -12.950 16 H LYS 4 HN LYS 4 -4.335 -3.921 -6.951 17 HA LYS 4 HA LYS 4 -6.647 -2.471 -8.158 18 1HB LYS 4 2HB LYS 4 -6.737 -3.545 -5.612 19 2HB LYS 4 1HB LYS 4 -6.211 -1.891 -5.304 20 1HG LYS 4 2HG LYS 4 -8.128 -0.976 -6.391 21 2HG LYS 4 1HG LYS 4 -8.560 -2.534 -7.095 22 1HD LYS 4 2HD LYS 4 -9.458 -3.332 -5.130 23 2HD LYS 4 1HD LYS 4 -8.358 -2.388 -4.124 24 1HE LYS 4 2HE LYS 4 -10.589 -1.460 -3.900 25 2HE LYS 4 1HE LYS 4 -9.597 -0.321 -4.810 26 1HZ LYS 4 1HZ LYS 4 -11.337 -2.348 -6.093 27 2HZ LYS 4 3HZ LYS 4 -11.846 -0.765 -5.762 28 3HZ LYS 4 2HZ LYS 4 -10.555 -1.036 -6.834 29 H THR 5 HN THR 5 -6.267 -0.290 -8.492 30 HA THR 5 HA THR 5 -3.493 0.640 -7.985 31 HB THR 5 HB THR 5 -5.639 2.025 -9.611 32 HG1 THR 5 HG1 THR 5 -5.413 0.151 -10.652 33 1HG2 THR 5 3HG2 THR 5 -3.250 2.976 -8.773 34 2HG2 THR 5 2HG2 THR 5 -2.746 2.168 -10.257 35 3HG2 THR 5 1HG2 THR 5 -3.977 3.431 -10.313 36 H PHE 6 HN PHE 6 -3.074 2.166 -6.449 37 HA PHE 6 HA PHE 6 -5.413 3.579 -5.231 38 1HB PHE 6 2HB PHE 6 -2.823 2.653 -3.954 39 2HB PHE 6 1HB PHE 6 -4.023 3.659 -3.146 40 HD1 PHE 6 2HD PHE 6 -6.264 2.772 -2.608 41 HD2 PHE 6 1HD PHE 6 -3.227 0.301 -4.376 42 HE1 PHE 6 2HE PHE 6 -7.557 0.745 -1.999 43 HE2 PHE 6 1HE PHE 6 -4.521 -1.726 -3.767 44 HZ PHE 6 HZ PHE 6 -6.688 -1.503 -2.578 45 H LYS 7 HN LYS 7 -5.114 5.796 -4.702 46 HA LYS 7 HA LYS 7 -2.794 7.072 -6.087 47 1HB LYS 7 2HB LYS 7 -5.486 7.551 -6.419 48 2HB LYS 7 1HB LYS 7 -5.039 8.803 -5.261 49 1HG LYS 7 2HG LYS 7 -3.409 8.297 -7.753 50 2HG LYS 7 1HG LYS 7 -4.798 9.383 -7.762 51 1HD LYS 7 2HD LYS 7 -2.911 9.820 -5.526 52 2HD LYS 7 1HD LYS 7 -2.247 10.154 -7.126 53 1HE LYS 7 2HE LYS 7 -4.952 11.218 -6.328 54 2HE LYS 7 1HE LYS 7 -3.476 12.080 -5.891 55 1HZ LYS 7 3HZ LYS 7 -4.031 11.209 -8.665 56 2HZ LYS 7 2HZ LYS 7 -4.558 12.710 -8.069 57 3HZ LYS 7 1HZ LYS 7 -2.898 12.352 -8.130 58 H VAL 8 HN VAL 8 -1.296 8.024 -4.807 59 HA VAL 8 HA VAL 8 -1.722 8.149 -1.910 60 HB VAL 8 HB VAL 8 0.645 9.204 -3.481 61 1HG1 VAL 8 3HG1 VAL 8 0.187 9.677 -0.940 62 2HG1 VAL 8 2HG1 VAL 8 0.683 7.997 -0.727 63 3HG1 VAL 8 1HG1 VAL 8 1.796 9.162 -1.446 64 1HG2 VAL 8 1HG2 VAL 8 -0.063 6.405 -2.584 65 2HG2 VAL 8 3HG2 VAL 8 0.490 6.938 -4.172 66 3HG2 VAL 8 2HG2 VAL 8 1.615 6.898 -2.813 67 H THR 9 HN THR 9 -2.663 9.870 -0.949 68 HA THR 9 HA THR 9 -2.105 12.592 -2.013 69 HB THR 9 HB THR 9 -4.894 11.851 -1.152 70 HG1 THR 9 HG1 THR 9 -3.788 11.688 -3.758 71 1HG2 THR 9 1HG2 THR 9 -3.920 14.254 -1.499 72 2HG2 THR 9 3HG2 THR 9 -4.072 13.875 -3.215 73 3HG2 THR 9 2HG2 THR 9 -5.500 13.863 -2.179 74 H ALA 10 HN ALA 10 -1.399 10.879 0.445 75 HA ALA 10 HA ALA 10 -2.726 12.203 2.669 76 1HB ALA 10 2HB ALA 10 -0.227 10.488 2.578 77 2HB ALA 10 1HB ALA 10 -1.048 11.004 4.051 78 3HB ALA 10 3HB ALA 10 -1.861 9.920 2.922 79 H ASP 11 HN ASP 11 -1.868 13.853 3.971 80 HA ASP 11 HA ASP 11 -0.154 15.770 2.706 81 1HB ASP 11 2HB ASP 11 -0.132 16.865 4.963 82 2HB ASP 11 1HB ASP 11 -1.756 16.475 4.396 83 H SER 12 HN SER 12 0.440 13.310 5.205 84 HA SER 12 HA SER 12 3.252 14.052 5.498 85 1HB SER 12 2HB SER 12 3.245 11.711 6.692 86 2HB SER 12 1HB SER 12 2.415 13.068 7.445 87 HG SER 12 HG SER 12 1.257 11.073 5.785 88 H GLY 13 HN GLY 13 1.386 11.744 3.617 89 1HA GLY 13 2HA GLY 13 2.248 10.896 1.498 90 2HA GLY 13 1HA GLY 13 3.881 11.025 2.154 91 H ILE 14 HN ILE 14 4.475 8.857 1.899 92 HA ILE 14 HA ILE 14 2.945 6.916 3.580 93 HB ILE 14 HB ILE 14 4.403 6.284 0.998 94 1HG1 ILE 14 2HG1 ILE 14 1.423 6.497 1.548 95 2HG1 ILE 14 1HG1 ILE 14 2.369 7.683 0.650 96 1HG2 ILE 14 3HG2 ILE 14 4.102 4.526 2.887 97 2HG2 ILE 14 2HG2 ILE 14 2.392 4.570 2.455 98 3HG2 ILE 14 1HG2 ILE 14 3.593 4.083 1.258 99 1HD1 ILE 14 2HD1 ILE 14 2.125 4.760 -0.120 100 2HD1 ILE 14 1HD1 ILE 14 1.170 6.061 -0.835 101 3HD1 ILE 14 3HD1 ILE 14 2.920 6.031 -1.049 102 1HN HIP 15 HN HIP 15 4.494 7.485 5.291 103 HA HIP 15 HA HIP 15 7.242 6.481 4.786 104 1HB HIP 15 1HB HIP 15 7.110 8.794 5.601 105 2HB HIP 15 2HB HIP 15 7.935 7.765 6.749 106 HD2 HIP 15 2HD HIP 15 4.197 9.060 6.384 107 HE2 HIP 15 2HE HIP 15 3.397 9.561 8.806 108 HE1 HIP 15 1HE HIP 15 5.211 8.981 10.472 109 H ALA 16 HN ALA 16 7.885 5.993 7.541 110 HA ALA 16 HA ALA 16 7.184 3.280 7.755 111 1HB ALA 16 3HB ALA 16 8.953 4.869 9.030 112 2HB ALA 16 2HB ALA 16 7.745 4.684 10.302 113 3HB ALA 16 1HB ALA 16 8.515 3.259 9.600 114 H ARG 17 HN ARG 17 5.390 6.082 8.985 115 HA ARG 17 HA ARG 17 3.814 4.653 10.899 116 1HB ARG 17 2HB ARG 17 3.444 7.219 9.409 117 2HB ARG 17 1HB ARG 17 2.080 6.550 10.294 118 1HG ARG 17 2HG ARG 17 4.826 7.069 11.473 119 2HG ARG 17 1HG ARG 17 3.438 8.140 11.660 120 1HD ARG 17 2HD ARG 17 2.404 5.685 12.402 121 2HD ARG 17 1HD ARG 17 4.050 5.620 13.032 122 HE ARG 17 HE ARG 17 3.135 8.118 13.813 123 1HH1 ARG 17 HH11 ARG 17 0.429 7.464 14.140 124 2HH1 ARG 17 HH12 ARG 17 0.330 6.581 15.626 125 1HH2 ARG 17 HH21 ARG 17 3.719 5.852 15.726 126 2HH2 ARG 17 HH22 ARG 17 2.192 5.669 16.525 127 HA PRO 18 HA PRO 18 0.527 3.893 7.508 128 1HB PRO 18 2HB PRO 18 1.186 4.501 4.903 129 2HB PRO 18 1HB PRO 18 0.313 5.601 5.983 130 1HG PRO 18 2HG PRO 18 3.201 5.648 5.177 131 2HG PRO 18 1HG PRO 18 2.113 7.002 5.532 132 1HD PRO 18 2HD PRO 18 4.011 6.062 7.317 133 2HD PRO 18 1HD PRO 18 2.530 6.918 7.790 134 H ALA 19 HN ALA 19 3.911 3.307 7.139 135 HA ALA 19 HA ALA 19 3.665 1.035 5.324 136 1HB ALA 19 3HB ALA 19 5.760 2.452 5.630 137 2HB ALA 19 2HB ALA 19 5.965 1.661 7.193 138 3HB ALA 19 1HB ALA 19 6.015 0.709 5.709 139 H THR 20 HN THR 20 3.635 1.590 8.792 140 HA THR 20 HA THR 20 3.873 -1.238 9.487 141 HB THR 20 HB THR 20 2.733 0.809 11.357 142 HG1 THR 20 HG1 THR 20 5.452 0.604 10.578 143 1HG2 THR 20 1HG2 THR 20 4.554 -1.591 11.528 144 2HG2 THR 20 3HG2 THR 20 4.408 -0.445 12.860 145 3HG2 THR 20 2HG2 THR 20 2.994 -1.343 12.310 146 H VAL 21 HN VAL 21 1.284 1.028 8.807 147 HA VAL 21 HA VAL 21 -0.833 -0.630 9.931 148 HB VAL 21 HB VAL 21 -1.101 1.491 7.810 149 1HG1 VAL 21 2HG1 VAL 21 -2.962 0.301 9.877 150 2HG1 VAL 21 1HG1 VAL 21 -3.335 1.776 8.984 151 3HG1 VAL 21 3HG1 VAL 21 -3.133 0.251 8.122 152 1HG2 VAL 21 3HG2 VAL 21 -0.564 1.693 10.744 153 2HG2 VAL 21 2HG2 VAL 21 -0.048 2.759 9.437 154 3HG2 VAL 21 1HG2 VAL 21 -1.704 2.839 10.039 155 H LEU 22 HN LEU 22 0.328 0.075 6.665 156 HA LEU 22 HA LEU 22 -1.433 -1.703 5.291 157 1HB LEU 22 2HB LEU 22 1.294 -0.618 4.552 158 2HB LEU 22 1HB LEU 22 0.210 -1.443 3.430 159 HG LEU 22 HG LEU 22 -0.508 1.061 4.984 160 1HD1 LEU 22 2HD1 LEU 22 0.761 0.588 2.320 161 2HD1 LEU 22 1HD1 LEU 22 -0.464 1.857 2.417 162 3HD1 LEU 22 3HD1 LEU 22 0.971 1.936 3.441 163 1HD2 LEU 22 1HD2 LEU 22 -1.890 -0.604 2.866 164 2HD2 LEU 22 3HD2 LEU 22 -2.505 -0.125 4.449 165 3HD2 LEU 22 2HD2 LEU 22 -2.339 1.076 3.167 166 H VAL 23 HN VAL 23 1.901 -2.139 6.499 167 HA VAL 23 HA VAL 23 2.257 -4.764 5.420 168 HB VAL 23 HB VAL 23 4.129 -3.339 6.272 169 1HG1 VAL 23 2HG1 VAL 23 2.910 -2.545 8.318 170 2HG1 VAL 23 1HG1 VAL 23 3.114 -4.150 9.015 171 3HG1 VAL 23 3HG1 VAL 23 4.527 -3.156 8.663 172 1HG2 VAL 23 2HG2 VAL 23 4.221 -5.887 6.056 173 2HG2 VAL 23 1HG2 VAL 23 5.414 -5.160 7.133 174 3HG2 VAL 23 3HG2 VAL 23 3.984 -5.947 7.803 175 H GLN 24 HN GLN 24 0.693 -3.602 8.340 176 HA GLN 24 HA GLN 24 0.543 -6.161 9.671 177 1HB GLN 24 2HB GLN 24 -0.873 -3.523 9.980 178 2HB GLN 24 1HB GLN 24 -1.426 -4.935 10.876 179 1HG GLN 24 2HG GLN 24 1.458 -4.710 11.052 180 2HG GLN 24 1HG GLN 24 0.697 -3.207 11.569 181 1HE2 GLN 24 2HE2 GLN 24 0.550 -6.419 13.990 182 2HE2 GLN 24 1HE2 GLN 24 1.490 -6.382 12.576 183 H THR 25 HN THR 25 -1.437 -4.542 7.257 184 HA THR 25 HA THR 25 -3.682 -6.392 7.564 185 HB THR 25 HB THR 25 -3.292 -4.751 5.093 186 HG1 THR 25 HG1 THR 25 -2.902 -3.100 6.330 187 1HG2 THR 25 2HG2 THR 25 -5.323 -6.245 5.790 188 2HG2 THR 25 1HG2 THR 25 -5.717 -4.901 6.862 189 3HG2 THR 25 3HG2 THR 25 -5.629 -4.642 5.120 190 H ALA 26 HN ALA 26 -1.391 -5.798 4.867 191 HA ALA 26 HA ALA 26 -2.117 -8.109 3.377 192 1HB ALA 26 3HB ALA 26 0.502 -6.586 3.446 193 2HB ALA 26 2HB ALA 26 0.068 -7.781 2.223 194 3HB ALA 26 1HB ALA 26 -0.857 -6.286 2.363 195 H SER 27 HN SER 27 0.055 -7.722 6.111 196 HA SER 27 HA SER 27 1.606 -10.088 5.817 197 1HB SER 27 2HB SER 27 1.831 -9.949 8.323 198 2HB SER 27 1HB SER 27 2.204 -8.448 7.483 199 HG SER 27 HG SER 27 0.332 -8.929 9.334 200 H LYS 28 HN LYS 28 -1.657 -9.580 7.034 201 HA LYS 28 HA LYS 28 -1.959 -12.254 8.122 202 1HB LYS 28 2HB LYS 28 -4.206 -10.442 7.205 203 2HB LYS 28 1HB LYS 28 -4.264 -11.692 8.444 204 1HG LYS 28 2HG LYS 28 -2.718 -9.083 8.608 205 2HG LYS 28 1HG LYS 28 -4.181 -9.484 9.501 206 1HD LYS 28 2HD LYS 28 -2.642 -11.594 10.199 207 2HD LYS 28 1HD LYS 28 -1.384 -10.384 9.950 208 1HE LYS 28 2HE LYS 28 -3.404 -9.045 11.380 209 2HE LYS 28 1HE LYS 28 -3.273 -10.630 12.141 210 1HZ LYS 28 2HZ LYS 28 -0.848 -10.287 12.242 211 2HZ LYS 28 1HZ LYS 28 -1.065 -8.708 11.652 212 3HZ LYS 28 3HZ LYS 28 -1.717 -9.146 13.155 213 H TYR 29 HN TYR 29 -2.420 -10.754 4.983 214 HA TYR 29 HA TYR 29 -3.770 -13.150 3.905 215 1HB TYR 29 2HB TYR 29 -2.897 -10.562 2.574 216 2HB TYR 29 1HB TYR 29 -3.806 -11.850 1.780 217 HD1 TYR 29 2HD TYR 29 -6.074 -12.509 2.701 218 HD2 TYR 29 1HD TYR 29 -3.989 -8.976 3.974 219 HE1 TYR 29 2HE TYR 29 -8.187 -11.593 3.617 220 HE2 TYR 29 1HE TYR 29 -6.104 -8.059 4.891 221 HH TYR 29 HH TYR 29 -8.868 -9.940 5.363 222 H ASP 30 HN ASP 30 -2.667 -14.785 2.955 223 HA ASP 30 HA ASP 30 0.244 -14.657 2.755 224 1HB ASP 30 2HB ASP 30 -1.766 -16.800 2.019 225 2HB ASP 30 1HB ASP 30 -0.019 -17.005 1.886 226 H ALA 31 HN ALA 31 -2.178 -13.577 0.691 227 HA ALA 31 HA ALA 31 -1.297 -14.496 -1.861 228 1HB ALA 31 2HB ALA 31 -3.405 -13.073 -1.128 229 2HB ALA 31 1HB ALA 31 -2.352 -11.711 -1.508 230 3HB ALA 31 3HB ALA 31 -2.737 -12.903 -2.751 231 H ASP 32 HN ASP 32 -0.225 -13.008 -3.506 232 HA ASP 32 HA ASP 32 2.209 -11.840 -2.272 233 1HB ASP 32 2HB ASP 32 1.542 -12.596 -5.133 234 2HB ASP 32 1HB ASP 32 3.070 -11.869 -4.632 235 H VAL 33 HN VAL 33 1.071 -9.893 -1.558 236 HA VAL 33 HA VAL 33 0.017 -8.099 -3.657 237 HB VAL 33 HB VAL 33 -0.441 -6.577 -1.711 238 1HG1 VAL 33 1HG1 VAL 33 -1.530 -9.296 -2.106 239 2HG1 VAL 33 3HG1 VAL 33 -1.903 -8.577 -0.539 240 3HG1 VAL 33 2HG1 VAL 33 -2.368 -7.747 -2.024 241 1HG2 VAL 33 3HG2 VAL 33 1.443 -8.290 -0.439 242 2HG2 VAL 33 2HG2 VAL 33 0.576 -6.929 0.271 243 3HG2 VAL 33 1HG2 VAL 33 -0.103 -8.553 0.367 244 H ASN 34 HN ASN 34 1.725 -7.317 -4.855 245 HA ASN 34 HA ASN 34 4.056 -6.167 -3.389 246 1HB ASN 34 2HB ASN 34 3.747 -6.765 -6.345 247 2HB ASN 34 1HB ASN 34 5.227 -6.255 -5.533 248 1HD2 ASN 34 2HD2 ASN 34 4.023 -10.143 -5.287 249 2HD2 ASN 34 1HD2 ASN 34 3.037 -8.981 -6.033 250 H LEU 35 HN LEU 35 4.270 -3.993 -3.280 251 HA LEU 35 HA LEU 35 2.316 -2.288 -4.697 252 1HB LEU 35 2HB LEU 35 2.832 -1.929 -2.274 253 2HB LEU 35 1HB LEU 35 4.491 -1.526 -2.719 254 HG LEU 35 HG LEU 35 2.323 -0.067 -4.149 255 1HD1 LEU 35 2HD1 LEU 35 2.944 0.213 -1.212 256 2HD1 LEU 35 1HD1 LEU 35 2.415 1.606 -2.157 257 3HD1 LEU 35 3HD1 LEU 35 1.371 0.192 -2.010 258 1HD2 LEU 35 2HD2 LEU 35 5.148 0.315 -3.277 259 2HD2 LEU 35 1HD2 LEU 35 4.373 0.751 -4.801 260 3HD2 LEU 35 3HD2 LEU 35 4.145 1.763 -3.374 261 H GLU 36 HN GLU 36 2.909 -0.770 -6.275 262 HA GLU 36 HA GLU 36 5.733 -0.957 -7.252 263 1HB GLU 36 2HB GLU 36 3.791 -1.877 -8.706 264 2HB GLU 36 1HB GLU 36 3.385 -0.182 -8.977 265 1HG GLU 36 2HG GLU 36 5.624 0.250 -9.858 266 2HG GLU 36 1HG GLU 36 6.106 -1.410 -9.507 267 H TYR 37 HN TYR 37 6.792 0.980 -7.748 268 HA TYR 37 HA TYR 37 5.252 3.504 -7.454 269 1HB TYR 37 2HB TYR 37 6.257 2.981 -5.241 270 2HB TYR 37 1HB TYR 37 7.849 2.930 -5.994 271 HD1 TYR 37 1HD TYR 37 5.015 5.303 -6.652 272 HD2 TYR 37 2HD TYR 37 8.985 4.784 -5.086 273 HE1 TYR 37 1HE TYR 37 5.231 7.758 -6.378 274 HE2 TYR 37 2HE TYR 37 9.198 7.239 -4.818 275 HH TYR 37 HH TYR 37 8.083 9.318 -5.975 276 H ASN 38 HN ASN 38 5.654 3.197 -9.858 277 HA ASN 38 HA ASN 38 6.771 3.828 -11.817 278 1HB ASN 38 2HB ASN 38 6.851 5.937 -10.160 279 2HB ASN 38 1HB ASN 38 8.584 5.640 -10.299 280 1HD2 ASN 38 2HD2 ASN 38 8.768 7.012 -13.530 281 2HD2 ASN 38 1HD2 ASN 38 9.585 6.490 -12.136 282 H GLY 39 HN GLY 39 7.767 1.496 -11.319 283 1HA GLY 39 2HA GLY 39 9.722 0.354 -12.114 284 2HA GLY 39 1HA GLY 39 10.667 1.795 -11.764 285 H LYS 40 HN LYS 40 9.504 2.043 -9.028 286 HA LYS 40 HA LYS 40 11.311 0.105 -7.727 287 1HB LYS 40 2HB LYS 40 9.682 2.394 -6.580 288 2HB LYS 40 1HB LYS 40 10.862 1.434 -5.686 289 1HG LYS 40 2HG LYS 40 11.728 2.714 -8.249 290 2HG LYS 40 1HG LYS 40 11.560 3.735 -6.819 291 1HD LYS 40 2HD LYS 40 13.162 2.470 -5.598 292 2HD LYS 40 1HD LYS 40 13.113 1.143 -6.760 293 1HE LYS 40 2HE LYS 40 15.139 2.405 -7.162 294 2HE LYS 40 1HE LYS 40 14.027 2.726 -8.493 295 1HZ LYS 40 1HZ LYS 40 13.291 4.714 -7.137 296 2HZ LYS 40 3HZ LYS 40 14.674 4.462 -6.188 297 3HZ LYS 40 2HZ LYS 40 14.832 4.806 -7.844 298 H THR 41 HN THR 41 10.079 -1.837 -8.022 299 HA THR 41 HA THR 41 7.386 -1.944 -6.799 300 HB THR 41 HB THR 41 8.954 -4.156 -8.154 301 HG1 THR 41 HG1 THR 41 7.669 -3.607 -9.953 302 1HG2 THR 41 1HG2 THR 41 6.854 -4.505 -6.558 303 2HG2 THR 41 3HG2 THR 41 5.971 -4.009 -8.002 304 3HG2 THR 41 2HG2 THR 41 7.022 -5.423 -8.054 305 H VAL 42 HN VAL 42 7.793 -1.820 -4.581 306 HA VAL 42 HA VAL 42 9.593 -3.894 -3.415 307 HB VAL 42 HB VAL 42 8.949 -2.554 -1.223 308 1HG1 VAL 42 2HG1 VAL 42 11.021 -2.183 -3.278 309 2HG1 VAL 42 1HG1 VAL 42 10.832 -0.813 -2.182 310 3HG1 VAL 42 3HG1 VAL 42 11.175 -2.418 -1.534 311 1HG2 VAL 42 2HG2 VAL 42 7.310 -1.081 -2.434 312 2HG2 VAL 42 1HG2 VAL 42 8.575 -0.181 -1.596 313 3HG2 VAL 42 3HG2 VAL 42 8.658 -0.401 -3.345 314 H ASN 43 HN ASN 43 8.795 -5.369 -1.903 315 HA ASN 43 HA ASN 43 6.011 -6.116 -2.188 316 1HB ASN 43 2HB ASN 43 8.128 -7.573 -1.572 317 2HB ASN 43 1HB ASN 43 7.737 -7.083 0.077 318 1HD2 ASN 43 2HD2 ASN 43 5.855 -10.242 -0.864 319 2HD2 ASN 43 1HD2 ASN 43 7.497 -9.821 -0.958 320 H LEU 44 HN LEU 44 4.334 -5.853 -0.605 321 HA LEU 44 HA LEU 44 4.510 -3.451 0.957 322 1HB LEU 44 2HB LEU 44 2.379 -4.510 0.062 323 2HB LEU 44 1HB LEU 44 2.486 -5.635 1.421 324 HG LEU 44 HG LEU 44 2.845 -3.403 2.804 325 1HD1 LEU 44 2HD1 LEU 44 1.435 -2.505 0.299 326 2HD1 LEU 44 1HD1 LEU 44 1.362 -1.611 1.820 327 3HD1 LEU 44 3HD1 LEU 44 2.913 -1.853 1.012 328 1HD2 LEU 44 1HD2 LEU 44 0.415 -4.825 1.894 329 2HD2 LEU 44 3HD2 LEU 44 1.040 -4.569 3.523 330 3HD2 LEU 44 2HD2 LEU 44 0.166 -3.277 2.699 331 H LYS 45 HN LYS 45 5.679 -6.598 1.618 332 HA LYS 45 HA LYS 45 5.472 -6.271 4.543 333 1HB LYS 45 2HB LYS 45 6.892 -8.383 2.880 334 2HB LYS 45 1HB LYS 45 6.662 -8.435 4.626 335 1HG LYS 45 2HG LYS 45 4.692 -9.469 4.278 336 2HG LYS 45 1HG LYS 45 4.090 -7.978 3.555 337 1HD LYS 45 2HD LYS 45 5.255 -8.798 1.390 338 2HD LYS 45 1HD LYS 45 5.304 -10.373 2.181 339 1HE LYS 45 2HE LYS 45 2.731 -9.756 2.652 340 2HE LYS 45 1HE LYS 45 2.965 -8.833 1.168 341 1HZ LYS 45 2HZ LYS 45 3.876 -11.629 1.337 342 2HZ LYS 45 1HZ LYS 45 2.244 -11.283 1.015 343 3HZ LYS 45 3HZ LYS 45 3.452 -10.722 -0.034 344 H SER 46 HN SER 46 6.777 -4.102 3.453 345 HA SER 46 HA SER 46 9.505 -4.461 4.538 346 1HB SER 46 2HB SER 46 9.812 -4.947 2.149 347 2HB SER 46 1HB SER 46 8.990 -3.451 1.713 348 HG SER 46 HG SER 46 11.540 -3.884 2.727 349 H ILE 47 HN ILE 47 9.108 -2.988 6.156 350 HA ILE 47 HA ILE 47 7.683 -0.505 5.768 351 HB ILE 47 HB ILE 47 9.647 -1.231 7.961 352 1HG1 ILE 47 2HG1 ILE 47 7.892 -2.957 7.707 353 2HG1 ILE 47 1HG1 ILE 47 7.674 -2.046 9.199 354 1HG2 ILE 47 3HG2 ILE 47 8.705 1.202 7.558 355 2HG2 ILE 47 2HG2 ILE 47 7.244 0.541 8.291 356 3HG2 ILE 47 1HG2 ILE 47 8.762 0.534 9.187 357 1HD1 ILE 47 3HD1 ILE 47 6.246 -0.697 7.113 358 2HD1 ILE 47 2HD1 ILE 47 5.812 -2.405 7.067 359 3HD1 ILE 47 1HD1 ILE 47 5.599 -1.481 8.552 360 H MET 48 HN MET 48 11.146 -1.113 6.467 361 HA MET 48 HA MET 48 12.029 1.529 5.906 362 1HB MET 48 2HB MET 48 13.291 -0.382 7.068 363 2HB MET 48 1HB MET 48 13.685 -0.956 5.447 364 1HG MET 48 2HG MET 48 15.504 0.443 6.121 365 2HG MET 48 1HG MET 48 14.560 1.381 4.965 366 1HE MET 48 2HE MET 48 15.954 0.722 8.088 367 2HE MET 48 1HE MET 48 16.516 2.391 8.117 368 3HE MET 48 3HE MET 48 15.348 1.826 9.320 369 H GLY 49 HN GLY 49 11.149 -1.077 3.765 370 1HA GLY 49 2HA GLY 49 12.656 -0.224 1.463 371 2HA GLY 49 1HA GLY 49 11.236 -1.270 1.427 372 H VAL 50 HN VAL 50 9.300 0.395 2.523 373 HA VAL 50 HA VAL 50 8.638 2.073 0.273 374 HB VAL 50 HB VAL 50 7.407 2.086 3.046 375 1HG1 VAL 50 2HG1 VAL 50 6.540 3.074 0.327 376 2HG1 VAL 50 1HG1 VAL 50 5.367 2.715 1.594 377 3HG1 VAL 50 3HG1 VAL 50 6.588 3.960 1.851 378 1HG2 VAL 50 3HG2 VAL 50 7.235 0.189 0.753 379 2HG2 VAL 50 2HG2 VAL 50 7.045 -0.115 2.480 380 3HG2 VAL 50 1HG2 VAL 50 5.720 0.600 1.559 381 H VAL 51 HN VAL 51 10.042 2.687 3.455 382 HA VAL 51 HA VAL 51 9.852 5.572 3.292 383 HB VAL 51 HB VAL 51 11.782 3.898 4.928 384 1HG1 VAL 51 2HG1 VAL 51 10.715 6.721 5.242 385 2HG1 VAL 51 1HG1 VAL 51 11.713 5.886 6.432 386 3HG1 VAL 51 3HG1 VAL 51 12.372 6.270 4.842 387 1HG2 VAL 51 3HG2 VAL 51 9.366 3.276 5.237 388 2HG2 VAL 51 2HG2 VAL 51 10.101 3.959 6.686 389 3HG2 VAL 51 1HG2 VAL 51 9.038 4.949 5.686 390 H SER 52 HN SER 52 12.125 3.192 2.100 391 HA SER 52 HA SER 52 14.336 5.000 1.674 392 1HB SER 52 2HB SER 52 15.297 3.221 0.358 393 2HB SER 52 1HB SER 52 14.483 2.474 1.731 394 HG SER 52 HG SER 52 14.100 1.689 -0.571 395 H LEU 53 HN LEU 53 11.518 4.053 -0.229 396 HA LEU 53 HA LEU 53 12.349 5.192 -2.724 397 1HB LEU 53 2HB LEU 53 9.535 4.903 -1.623 398 2HB LEU 53 1HB LEU 53 9.968 5.134 -3.318 399 HG LEU 53 HG LEU 53 10.884 2.787 -1.631 400 1HD1 LEU 53 2HD1 LEU 53 8.341 3.075 -2.281 401 2HD1 LEU 53 1HD1 LEU 53 8.906 2.591 -3.880 402 3HD1 LEU 53 3HD1 LEU 53 9.137 1.516 -2.501 403 1HD2 LEU 53 3HD2 LEU 53 11.017 3.367 -4.609 404 2HD2 LEU 53 2HD2 LEU 53 12.385 3.352 -3.495 405 3HD2 LEU 53 1HD2 LEU 53 11.517 1.857 -3.847 406 H GLY 54 HN GLY 54 10.712 6.548 0.108 407 1HA GLY 54 2HA GLY 54 10.636 8.812 0.789 408 2HA GLY 54 1HA GLY 54 11.531 9.243 -0.669 409 H ILE 55 HN ILE 55 8.373 7.639 -0.139 410 HA ILE 55 HA ILE 55 7.192 9.145 -2.350 411 HB ILE 55 HB ILE 55 5.748 7.447 -0.294 412 1HG1 ILE 55 2HG1 ILE 55 6.863 6.527 -2.959 413 2HG1 ILE 55 1HG1 ILE 55 7.703 6.274 -1.429 414 1HG2 ILE 55 2HG2 ILE 55 5.131 8.199 -3.169 415 2HG2 ILE 55 1HG2 ILE 55 4.146 7.141 -2.158 416 3HG2 ILE 55 3HG2 ILE 55 4.326 8.844 -1.738 417 1HD1 ILE 55 3HD1 ILE 55 5.421 5.257 -0.644 418 2HD1 ILE 55 2HD1 ILE 55 5.102 5.098 -2.371 419 3HD1 ILE 55 1HD1 ILE 55 6.491 4.284 -1.652 420 H ALA 56 HN ALA 56 5.460 10.682 -2.121 421 HA ALA 56 HA ALA 56 4.893 11.724 0.584 422 1HB ALA 56 2HB ALA 56 6.995 12.817 -0.783 423 2HB ALA 56 1HB ALA 56 5.670 13.850 -1.317 424 3HB ALA 56 3HB ALA 56 6.026 13.690 0.405 425 H LYS 57 HN LYS 57 3.615 14.052 -0.077 426 HA LYS 57 HA LYS 57 1.107 13.161 -1.105 427 1HB LYS 57 2HB LYS 57 1.783 15.268 0.351 428 2HB LYS 57 1HB LYS 57 1.845 16.043 -1.229 429 1HG LYS 57 2HG LYS 57 -0.462 15.190 -1.689 430 2HG LYS 57 1HG LYS 57 -0.520 14.579 -0.035 431 1HD LYS 57 2HD LYS 57 -1.597 16.759 -0.092 432 2HD LYS 57 1HD LYS 57 -0.072 16.905 0.783 433 1HE LYS 57 2HE LYS 57 0.965 18.073 -0.937 434 2HE LYS 57 1HE LYS 57 -0.088 17.389 -2.175 435 1HZ LYS 57 1HZ LYS 57 -1.007 19.281 -0.083 436 2HZ LYS 57 3HZ LYS 57 -0.539 19.755 -1.643 437 3HZ LYS 57 2HZ LYS 57 -1.883 18.737 -1.434 438 H GLY 58 HN GLY 58 0.347 13.035 -3.169 439 1HA GLY 58 2HA GLY 58 0.144 13.665 -5.469 440 2HA GLY 58 1HA GLY 58 1.618 14.622 -5.313 441 H ALA 59 HN ALA 59 0.791 11.176 -4.788 442 HA ALA 59 HA ALA 59 2.913 10.448 -6.747 443 1HB ALA 59 2HB ALA 59 3.736 10.400 -4.301 444 2HB ALA 59 1HB ALA 59 2.661 9.017 -4.098 445 3HB ALA 59 3HB ALA 59 3.986 8.942 -5.261 446 H GLU 60 HN GLU 60 2.774 7.956 -7.123 447 HA GLU 60 HA GLU 60 -0.067 7.049 -6.948 448 1HB GLU 60 2HB GLU 60 1.740 6.825 -9.377 449 2HB GLU 60 1HB GLU 60 0.104 6.179 -9.248 450 1HG GLU 60 2HG GLU 60 -0.753 8.477 -8.857 451 2HG GLU 60 1HG GLU 60 0.882 9.104 -9.062 452 H ILE 61 HN ILE 61 -0.295 4.704 -7.017 453 HA ILE 61 HA ILE 61 2.177 3.100 -6.778 454 HB ILE 61 HB ILE 61 1.396 2.114 -4.612 455 1HG1 ILE 61 2HG1 ILE 61 -0.536 4.458 -4.656 456 2HG1 ILE 61 1HG1 ILE 61 -0.996 2.771 -4.884 457 1HG2 ILE 61 1HG2 ILE 61 3.042 4.084 -4.861 458 2HG2 ILE 61 3HG2 ILE 61 1.702 5.109 -4.348 459 3HG2 ILE 61 2HG2 ILE 61 2.311 3.851 -3.273 460 1HD1 ILE 61 2HD1 ILE 61 0.344 2.484 -2.590 461 2HD1 ILE 61 1HD1 ILE 61 -0.116 4.176 -2.400 462 3HD1 ILE 61 3HD1 ILE 61 -1.359 2.942 -2.612 463 H THR 62 HN THR 62 1.846 0.998 -7.474 464 HA THR 62 HA THR 62 -0.975 0.251 -8.145 465 HB THR 62 HB THR 62 1.438 -0.848 -9.580 466 HG1 THR 62 HG1 THR 62 1.048 0.845 -11.108 467 1HG2 THR 62 2HG2 THR 62 -1.521 -0.675 -10.006 468 2HG2 THR 62 1HG2 THR 62 -0.462 -0.729 -11.417 469 3HG2 THR 62 3HG2 THR 62 -0.434 -2.044 -10.242 470 H ILE 63 HN ILE 63 -1.598 -1.222 -6.635 471 HA ILE 63 HA ILE 63 0.385 -3.173 -5.597 472 HB ILE 63 HB ILE 63 -2.465 -2.585 -4.729 473 1HG1 ILE 63 2HG1 ILE 63 0.182 -1.853 -3.436 474 2HG1 ILE 63 1HG1 ILE 63 -0.813 -0.737 -4.370 475 1HG2 ILE 63 3HG2 ILE 63 -0.329 -4.461 -3.718 476 2HG2 ILE 63 2HG2 ILE 63 -1.556 -3.819 -2.625 477 3HG2 ILE 63 1HG2 ILE 63 -2.037 -4.790 -4.017 478 1HD1 ILE 63 1HD1 ILE 63 -2.690 -1.645 -2.668 479 2HD1 ILE 63 3HD1 ILE 63 -1.265 -1.858 -1.650 480 3HD1 ILE 63 2HD1 ILE 63 -1.661 -0.263 -2.289 481 H SER 64 HN SER 64 -0.008 -5.441 -5.729 482 HA SER 64 HA SER 64 -2.293 -6.384 -7.342 483 1HB SER 64 2HB SER 64 -0.568 -7.732 -8.752 484 2HB SER 64 1HB SER 64 -0.842 -6.041 -9.159 485 HG SER 64 HG SER 64 1.353 -7.285 -7.992 486 H ALA 65 HN ALA 65 -3.057 -7.915 -5.961 487 HA ALA 65 HA ALA 65 -1.184 -9.535 -4.340 488 1HB ALA 65 1HB ALA 65 -3.433 -8.539 -3.520 489 2HB ALA 65 3HB ALA 65 -4.188 -9.848 -4.427 490 3HB ALA 65 2HB ALA 65 -3.085 -10.215 -3.102 491 H SER 66 HN SER 66 -0.623 -11.612 -4.889 492 HA SER 66 HA SER 66 -2.294 -13.073 -6.870 493 1HB SER 66 2HB SER 66 0.633 -13.322 -7.209 494 2HB SER 66 1HB SER 66 -0.639 -13.339 -8.420 495 HG SER 66 HG SER 66 0.599 -11.150 -7.137 496 H GLY 67 HN GLY 67 -2.935 -14.690 -5.476 497 1HA GLY 67 2HA GLY 67 -1.151 -16.818 -4.851 498 2HA GLY 67 1HA GLY 67 -1.363 -15.836 -3.401 499 H ALA 68 HN ALA 68 -2.889 -16.700 -2.099 500 HA ALA 68 HA ALA 68 -5.112 -18.264 -3.303 501 1HB ALA 68 1HB ALA 68 -3.937 -18.049 -0.538 502 2HB ALA 68 3HB ALA 68 -5.552 -18.718 -0.769 503 3HB ALA 68 2HB ALA 68 -4.161 -19.487 -1.534 504 H ASP 69 HN ASP 69 -4.802 -15.914 -0.616 505 HA ASP 69 HA ASP 69 -7.560 -14.981 -1.203 506 1HB ASP 69 2HB ASP 69 -7.282 -13.726 0.971 507 2HB ASP 69 1HB ASP 69 -7.166 -15.477 1.129 508 H GLU 70 HN GLU 70 -5.921 -14.229 -3.202 509 HA GLU 70 HA GLU 70 -4.536 -11.739 -2.806 510 1HB GLU 70 2HB GLU 70 -4.732 -11.562 -5.326 511 2HB GLU 70 1HB GLU 70 -3.986 -13.048 -4.746 512 1HG GLU 70 2HG GLU 70 -6.878 -13.344 -4.914 513 2HG GLU 70 1HG GLU 70 -6.207 -12.839 -6.462 514 H ASN 71 HN ASN 71 -7.894 -12.545 -3.402 515 HA ASN 71 HA ASN 71 -8.641 -9.819 -4.155 516 1HB ASN 71 2HB ASN 71 -10.377 -12.161 -3.316 517 2HB ASN 71 1HB ASN 71 -10.943 -10.674 -4.080 518 1HD2 ASN 71 2HD2 ASN 71 -10.213 -13.465 -6.616 519 2HD2 ASN 71 1HD2 ASN 71 -11.011 -13.529 -5.119 520 H ASP 72 HN ASP 72 -8.608 -11.774 -1.222 521 HA ASP 72 HA ASP 72 -10.135 -9.851 0.348 522 1HB ASP 72 2HB ASP 72 -8.320 -12.067 1.335 523 2HB ASP 72 1HB ASP 72 -9.601 -11.266 2.242 524 H ALA 73 HN ALA 73 -6.787 -10.204 -0.546 525 HA ALA 73 HA ALA 73 -5.779 -8.591 1.677 526 1HB ALA 73 2HB ALA 73 -4.372 -10.310 0.571 527 2HB ALA 73 1HB ALA 73 -4.425 -9.370 -0.920 528 3HB ALA 73 3HB ALA 73 -3.634 -8.709 0.511 529 H LEU 74 HN LEU 74 -6.418 -8.051 -1.803 530 HA LEU 74 HA LEU 74 -5.454 -5.354 -1.819 531 1HB LEU 74 2HB LEU 74 -6.653 -5.118 -3.948 532 2HB LEU 74 1HB LEU 74 -5.785 -6.646 -3.884 533 HG LEU 74 HG LEU 74 -8.108 -7.516 -2.914 534 1HD1 LEU 74 3HD1 LEU 74 -8.778 -4.886 -3.468 535 2HD1 LEU 74 2HD1 LEU 74 -9.328 -5.729 -4.916 536 3HD1 LEU 74 1HD1 LEU 74 -9.930 -6.215 -3.332 537 1HD2 LEU 74 1HD2 LEU 74 -7.521 -6.980 -5.842 538 2HD2 LEU 74 3HD2 LEU 74 -6.992 -8.384 -4.914 539 3HD2 LEU 74 2HD2 LEU 74 -8.706 -8.143 -5.248 540 H ASN 75 HN ASN 75 -8.734 -6.668 -1.291 541 HA ASN 75 HA ASN 75 -9.880 -4.009 -0.988 542 1HB ASN 75 2HB ASN 75 -11.928 -5.161 -0.310 543 2HB ASN 75 1HB ASN 75 -11.251 -5.938 -1.739 544 1HD2 ASN 75 2HD2 ASN 75 -12.136 -8.499 0.930 545 2HD2 ASN 75 1HD2 ASN 75 -13.020 -7.214 0.259 546 H ALA 76 HN ALA 76 -8.233 -6.233 1.112 547 HA ALA 76 HA ALA 76 -9.291 -5.274 3.614 548 1HB ALA 76 3HB ALA 76 -7.069 -6.990 2.713 549 2HB ALA 76 2HB ALA 76 -6.723 -6.093 4.192 550 3HB ALA 76 1HB ALA 76 -8.123 -7.161 4.116 551 H LEU 77 HN LEU 77 -6.184 -4.577 1.955 552 HA LEU 77 HA LEU 77 -5.500 -2.386 3.677 553 1HB LEU 77 2HB LEU 77 -4.610 -2.815 0.817 554 2HB LEU 77 1HB LEU 77 -3.777 -1.877 2.055 555 HG LEU 77 HG LEU 77 -4.286 -4.545 3.055 556 1HD1 LEU 77 2HD1 LEU 77 -4.102 -4.720 0.376 557 2HD1 LEU 77 1HD1 LEU 77 -2.384 -4.708 0.776 558 3HD1 LEU 77 3HD1 LEU 77 -3.441 -5.946 1.456 559 1HD2 LEU 77 1HD2 LEU 77 -1.853 -2.862 2.438 560 2HD2 LEU 77 3HD2 LEU 77 -2.548 -3.242 4.014 561 3HD2 LEU 77 2HD2 LEU 77 -1.711 -4.493 3.094 562 H GLU 78 HN GLU 78 -7.431 -2.626 0.737 563 HA GLU 78 HA GLU 78 -7.494 0.121 0.004 564 1HB GLU 78 2HB GLU 78 -8.410 -1.722 -1.386 565 2HB GLU 78 1HB GLU 78 -9.727 -1.919 -0.233 566 1HG GLU 78 2HG GLU 78 -9.365 0.854 -1.165 567 2HG GLU 78 1HG GLU 78 -9.811 -0.277 -2.441 568 H GLU 79 HN GLU 79 -9.815 -1.674 2.080 569 HA GLU 79 HA GLU 79 -11.368 0.603 2.805 570 1HB GLU 79 2HB GLU 79 -12.103 -0.799 4.743 571 2HB GLU 79 1HB GLU 79 -12.193 -1.652 3.201 572 1HG GLU 79 2HG GLU 79 -10.241 -2.914 3.654 573 2HG GLU 79 1HG GLU 79 -9.758 -1.850 4.975 574 H THR 80 HN THR 80 -8.310 -0.621 4.025 575 HA THR 80 HA THR 80 -8.271 0.883 6.482 576 HB THR 80 HB THR 80 -5.890 0.052 4.798 577 HG1 THR 80 HG1 THR 80 -6.017 -1.886 5.836 578 1HG2 THR 80 2HG2 THR 80 -5.873 1.626 6.973 579 2HG2 THR 80 1HG2 THR 80 -5.904 0.055 7.774 580 3HG2 THR 80 3HG2 THR 80 -4.599 0.448 6.655 581 H MET 81 HN MET 81 -7.367 1.582 3.152 582 HA MET 81 HA MET 81 -6.116 4.134 3.697 583 1HB MET 81 2HB MET 81 -7.136 2.714 1.252 584 2HB MET 81 1HB MET 81 -6.719 4.423 1.147 585 1HG MET 81 2HG MET 81 -4.701 2.797 2.555 586 2HG MET 81 1HG MET 81 -4.931 2.334 0.870 587 1HE MET 81 2HE MET 81 -4.786 3.410 -0.914 588 2HE MET 81 1HE MET 81 -4.395 5.093 -1.255 589 3HE MET 81 3HE MET 81 -3.101 3.910 -1.022 590 H LYS 82 HN LYS 82 -9.403 3.040 3.168 591 HA LYS 82 HA LYS 82 -10.554 5.614 2.573 592 1HB LYS 82 2HB LYS 82 -11.722 3.028 3.634 593 2HB LYS 82 1HB LYS 82 -12.704 4.449 3.269 594 1HG LYS 82 2HG LYS 82 -10.789 3.450 1.190 595 2HG LYS 82 1HG LYS 82 -12.310 2.587 1.429 596 1HD LYS 82 2HD LYS 82 -12.370 5.573 1.197 597 2HD LYS 82 1HD LYS 82 -12.180 4.610 -0.269 598 1HE LYS 82 2HE LYS 82 -14.241 3.461 0.100 599 2HE LYS 82 1HE LYS 82 -14.361 4.065 1.753 600 1HZ LYS 82 3HZ LYS 82 -14.420 6.349 0.717 601 2HZ LYS 82 2HZ LYS 82 -14.678 5.573 -0.773 602 3HZ LYS 82 1HZ LYS 82 -15.799 5.390 0.491 603 H SER 83 HN SER 83 -10.324 3.704 5.587 604 HA SER 83 HA SER 83 -11.623 5.666 7.237 605 1HB SER 83 2HB SER 83 -10.390 4.396 9.107 606 2HB SER 83 1HB SER 83 -11.509 3.465 8.115 607 HG SER 83 HG SER 83 -8.854 3.169 8.442 608 H GLU 84 HN GLU 84 -8.144 4.812 7.045 609 HA GLU 84 HA GLU 84 -7.212 7.011 8.581 610 1HB GLU 84 2HB GLU 84 -5.856 5.438 6.374 611 2HB GLU 84 1HB GLU 84 -5.022 6.587 7.421 612 1HG GLU 84 2HG GLU 84 -6.638 4.275 8.514 613 2HG GLU 84 1HG GLU 84 -4.917 4.140 8.150 614 H GLY 85 HN GLY 85 -8.298 6.862 5.270 615 1HA GLY 85 2HA GLY 85 -8.619 8.582 3.705 616 2HA GLY 85 1HA GLY 85 -8.311 9.728 5.011 617 H LEU 86 HN LEU 86 -6.080 7.195 3.984 618 HA LEU 86 HA LEU 86 -3.961 9.185 3.623 619 1HB LEU 86 2HB LEU 86 -3.950 6.188 3.186 620 2HB LEU 86 1HB LEU 86 -2.525 7.227 3.207 621 HG LEU 86 HG LEU 86 -4.460 6.915 5.521 622 1HD1 LEU 86 1HD1 LEU 86 -1.723 5.723 5.005 623 2HD1 LEU 86 3HD1 LEU 86 -2.541 5.685 6.567 624 3HD1 LEU 86 2HD1 LEU 86 -3.241 4.843 5.183 625 1HD2 LEU 86 2HD2 LEU 86 -1.830 8.376 5.152 626 2HD2 LEU 86 1HD2 LEU 86 -3.386 9.063 5.619 627 3HD2 LEU 86 3HD2 LEU 86 -2.511 8.021 6.741 628 H GLY 87 HN GLY 87 -5.716 6.866 1.561 629 1HA GLY 87 2HA GLY 87 -5.318 8.617 -0.762 630 2HA GLY 87 1HA GLY 87 -4.505 7.056 -0.875 631 H GLU 88 HN GLU 88 -6.204 7.150 -2.790 632 HA GLU 88 HA GLU 88 -8.550 5.575 -1.866 633 1HB GLU 88 2HB GLU 88 -10.003 6.819 -3.471 634 2HB GLU 88 1HB GLU 88 -9.409 7.840 -2.162 635 1HG GLU 88 2HG GLU 88 -7.424 8.274 -3.895 636 2HG GLU 88 1HG GLU 88 -8.680 7.856 -5.060 No H/Q in entry = 636 Start of MODEL 12 1 1H ALA 2 3HT ALA 2 -6.723 -8.336 -10.655 2 2H ALA 2 2HT ALA 2 -5.708 -9.602 -10.152 3 3H ALA 2 1HT ALA 2 -7.371 -9.877 -10.367 4 HA ALA 2 HA ALA 2 -7.960 -8.676 -8.479 5 1HB ALA 2 3HB ALA 2 -6.483 -10.885 -8.237 6 2HB ALA 2 2HB ALA 2 -5.357 -9.759 -7.479 7 3HB ALA 2 1HB ALA 2 -6.981 -9.961 -6.821 8 H GLN 3 HN GLN 3 -4.737 -7.906 -9.643 9 HA GLN 3 HA GLN 3 -3.824 -6.078 -7.723 10 1HB GLN 3 2HB GLN 3 -2.689 -4.914 -9.655 11 2HB GLN 3 1HB GLN 3 -2.421 -6.654 -9.595 12 1HG GLN 3 2HG GLN 3 -3.638 -7.047 -11.492 13 2HG GLN 3 1HG GLN 3 -4.798 -5.767 -11.134 14 1HE2 GLN 3 2HE2 GLN 3 -3.177 -4.058 -13.810 15 2HE2 GLN 3 1HE2 GLN 3 -4.559 -4.936 -13.364 16 H LYS 4 HN LYS 4 -4.011 -3.779 -7.521 17 HA LYS 4 HA LYS 4 -6.270 -2.500 -8.977 18 1HB LYS 4 2HB LYS 4 -6.440 -3.411 -6.293 19 2HB LYS 4 1HB LYS 4 -6.300 -1.656 -6.208 20 1HG LYS 4 2HG LYS 4 -8.320 -1.308 -7.231 21 2HG LYS 4 1HG LYS 4 -8.152 -2.721 -8.273 22 1HD LYS 4 2HD LYS 4 -8.719 -4.211 -6.448 23 2HD LYS 4 1HD LYS 4 -8.709 -2.872 -5.299 24 1HE LYS 4 2HE LYS 4 -11.016 -3.405 -5.930 25 2HE LYS 4 1HE LYS 4 -10.578 -1.815 -6.553 26 1HZ LYS 4 1HZ LYS 4 -10.431 -4.332 -8.119 27 2HZ LYS 4 3HZ LYS 4 -11.717 -3.228 -8.198 28 3HZ LYS 4 2HZ LYS 4 -10.163 -2.758 -8.699 29 H THR 5 HN THR 5 -6.271 -0.070 -8.518 30 HA THR 5 HA THR 5 -3.443 0.875 -8.265 31 HB THR 5 HB THR 5 -5.736 2.253 -9.692 32 HG1 THR 5 HG1 THR 5 -5.344 0.922 -11.241 33 1HG2 THR 5 2HG2 THR 5 -2.807 2.781 -9.319 34 2HG2 THR 5 1HG2 THR 5 -3.594 3.303 -10.808 35 3HG2 THR 5 3HG2 THR 5 -4.160 3.909 -9.251 36 H PHE 6 HN PHE 6 -3.077 2.809 -7.050 37 HA PHE 6 HA PHE 6 -5.378 3.846 -5.472 38 1HB PHE 6 2HB PHE 6 -2.785 2.756 -4.346 39 2HB PHE 6 1HB PHE 6 -3.874 3.794 -3.425 40 HD1 PHE 6 1HD PHE 6 -3.554 0.518 -5.134 41 HD2 PHE 6 2HD PHE 6 -5.956 2.973 -2.556 42 HE1 PHE 6 1HE PHE 6 -4.950 -1.451 -4.561 43 HE2 PHE 6 2HE PHE 6 -7.352 1.003 -1.982 44 HZ PHE 6 HZ PHE 6 -6.850 -1.208 -2.984 45 H LYS 7 HN LYS 7 -5.086 6.014 -4.779 46 HA LYS 7 HA LYS 7 -2.756 7.406 -6.043 47 1HB LYS 7 2HB LYS 7 -5.632 8.025 -5.858 48 2HB LYS 7 1HB LYS 7 -4.589 9.385 -5.445 49 1HG LYS 7 2HG LYS 7 -3.872 7.799 -7.867 50 2HG LYS 7 1HG LYS 7 -5.279 8.857 -7.979 51 1HD LYS 7 2HD LYS 7 -2.574 9.771 -6.964 52 2HD LYS 7 1HD LYS 7 -3.098 9.954 -8.637 53 1HE LYS 7 2HE LYS 7 -5.200 10.933 -6.965 54 2HE LYS 7 1HE LYS 7 -3.689 11.645 -6.403 55 1HZ LYS 7 1HZ LYS 7 -4.474 11.582 -9.258 56 2HZ LYS 7 3HZ LYS 7 -4.856 12.874 -8.228 57 3HZ LYS 7 2HZ LYS 7 -3.231 12.489 -8.538 58 H VAL 8 HN VAL 8 -1.283 8.145 -4.616 59 HA VAL 8 HA VAL 8 -1.941 8.256 -1.747 60 HB VAL 8 HB VAL 8 0.680 8.941 -3.109 61 1HG1 VAL 8 2HG1 VAL 8 -0.017 9.471 -0.576 62 2HG1 VAL 8 1HG1 VAL 8 0.446 7.783 -0.369 63 3HG1 VAL 8 3HG1 VAL 8 1.612 8.945 -1.001 64 1HG2 VAL 8 1HG2 VAL 8 -0.294 6.583 -3.557 65 2HG2 VAL 8 3HG2 VAL 8 1.338 6.670 -2.895 66 3HG2 VAL 8 2HG2 VAL 8 -0.023 6.289 -1.839 67 H THR 9 HN THR 9 -2.548 10.104 -0.745 68 HA THR 9 HA THR 9 -1.606 12.714 -1.803 69 HB THR 9 HB THR 9 -4.494 12.472 -1.040 70 HG1 THR 9 HG1 THR 9 -4.444 10.937 -2.569 71 1HG2 THR 9 2HG2 THR 9 -3.092 14.620 -1.595 72 2HG2 THR 9 1HG2 THR 9 -3.313 14.104 -3.267 73 3HG2 THR 9 3HG2 THR 9 -4.718 14.450 -2.257 74 H ALA 10 HN ALA 10 -1.275 10.926 0.689 75 HA ALA 10 HA ALA 10 -2.508 12.441 2.844 76 1HB ALA 10 3HB ALA 10 -1.810 9.968 2.906 77 2HB ALA 10 2HB ALA 10 -0.160 10.558 3.106 78 3HB ALA 10 1HB ALA 10 -1.387 10.943 4.314 79 H ASP 11 HN ASP 11 -1.477 13.951 4.204 80 HA ASP 11 HA ASP 11 0.492 15.652 3.045 81 1HB ASP 11 2HB ASP 11 -0.382 15.306 5.928 82 2HB ASP 11 1HB ASP 11 0.682 16.602 5.375 83 H SER 12 HN SER 12 0.794 13.065 5.476 84 HA SER 12 HA SER 12 3.681 13.412 5.726 85 1HB SER 12 2HB SER 12 3.437 11.111 6.892 86 2HB SER 12 1HB SER 12 2.655 12.496 7.648 87 HG SER 12 HG SER 12 1.570 10.289 6.368 88 H GLY 13 HN GLY 13 1.503 11.478 3.768 89 1HA GLY 13 2HA GLY 13 2.100 10.462 1.684 90 2HA GLY 13 1HA GLY 13 3.801 10.600 2.130 91 H ILE 14 HN ILE 14 4.074 8.335 1.557 92 HA ILE 14 HA ILE 14 2.816 6.436 3.489 93 HB ILE 14 HB ILE 14 4.175 5.821 0.849 94 1HG1 ILE 14 2HG1 ILE 14 1.217 5.921 1.530 95 2HG1 ILE 14 1HG1 ILE 14 2.073 7.159 0.612 96 1HG2 ILE 14 3HG2 ILE 14 4.157 3.994 2.558 97 2HG2 ILE 14 2HG2 ILE 14 2.401 4.121 2.630 98 3HG2 ILE 14 1HG2 ILE 14 3.188 3.607 1.137 99 1HD1 ILE 14 2HD1 ILE 14 2.449 4.388 -0.363 100 2HD1 ILE 14 1HD1 ILE 14 0.816 5.032 -0.535 101 3HD1 ILE 14 3HD1 ILE 14 2.178 5.876 -1.271 102 1HN HIP 15 HN HIP 15 4.604 7.501 4.919 103 HA HIP 15 HA HIP 15 7.282 6.398 4.400 104 1HB HIP 15 1HB HIP 15 7.008 8.757 5.200 105 2HB HIP 15 2HB HIP 15 8.064 7.783 6.202 106 HD2 HIP 15 2HD HIP 15 4.137 8.403 6.480 107 HE2 HIP 15 2HE HIP 15 3.720 8.961 8.980 108 HE1 HIP 15 1HE HIP 15 5.903 8.950 10.261 109 H ALA 16 HN ALA 16 7.816 6.162 7.385 110 HA ALA 16 HA ALA 16 7.374 3.355 7.577 111 1HB ALA 16 1HB ALA 16 9.017 5.084 8.828 112 2HB ALA 16 3HB ALA 16 7.814 4.850 10.095 113 3HB ALA 16 2HB ALA 16 8.680 3.462 9.435 114 H ARG 17 HN ARG 17 5.652 6.038 9.258 115 HA ARG 17 HA ARG 17 4.050 4.482 10.956 116 1HB ARG 17 2HB ARG 17 4.122 7.169 10.207 117 2HB ARG 17 1HB ARG 17 2.490 6.654 9.789 118 1HG ARG 17 2HG ARG 17 2.035 7.036 11.981 119 2HG ARG 17 1HG ARG 17 2.813 5.476 12.244 120 1HD ARG 17 2HD ARG 17 4.987 7.137 12.139 121 2HD ARG 17 1HD ARG 17 3.783 8.195 12.875 122 HE ARG 17 HE ARG 17 3.448 6.109 14.465 123 1HH1 ARG 17 HH11 ARG 17 5.427 4.314 14.271 124 2HH1 ARG 17 HH12 ARG 17 6.858 4.991 14.975 125 1HH2 ARG 17 HH21 ARG 17 5.699 8.256 14.838 126 2HH2 ARG 17 HH22 ARG 17 7.012 7.222 15.295 127 HA PRO 18 HA PRO 18 0.707 3.918 7.596 128 1HB PRO 18 2HB PRO 18 1.349 4.563 4.995 129 2HB PRO 18 1HB PRO 18 0.539 5.670 6.118 130 1HG PRO 18 2HG PRO 18 3.391 5.651 5.218 131 2HG PRO 18 1HG PRO 18 2.378 7.020 5.712 132 1HD PRO 18 2HD PRO 18 4.325 5.810 7.311 133 2HD PRO 18 1HD PRO 18 3.004 6.825 7.914 134 H ALA 19 HN ALA 19 4.082 3.348 6.873 135 HA ALA 19 HA ALA 19 3.680 1.035 5.171 136 1HB ALA 19 3HB ALA 19 5.963 2.379 6.509 137 2HB ALA 19 2HB ALA 19 6.159 0.653 6.210 138 3HB ALA 19 1HB ALA 19 5.836 1.748 4.867 139 H THR 20 HN THR 20 3.616 1.598 8.607 140 HA THR 20 HA THR 20 4.027 -1.217 9.313 141 HB THR 20 HB THR 20 2.848 0.747 11.230 142 HG1 THR 20 HG1 THR 20 5.559 0.778 10.398 143 1HG2 THR 20 3HG2 THR 20 3.631 -1.722 11.621 144 2HG2 THR 20 2HG2 THR 20 5.246 -1.014 11.640 145 3HG2 THR 20 1HG2 THR 20 4.039 -0.489 12.814 146 H VAL 21 HN VAL 21 1.377 1.032 8.802 147 HA VAL 21 HA VAL 21 -0.702 -0.630 9.935 148 HB VAL 21 HB VAL 21 -1.020 1.417 7.748 149 1HG1 VAL 21 1HG1 VAL 21 -2.852 0.450 9.962 150 2HG1 VAL 21 3HG1 VAL 21 -3.246 1.711 8.793 151 3HG1 VAL 21 2HG1 VAL 21 -3.000 0.052 8.250 152 1HG2 VAL 21 1HG2 VAL 21 -0.416 1.729 10.659 153 2HG2 VAL 21 3HG2 VAL 21 0.056 2.753 9.303 154 3HG2 VAL 21 2HG2 VAL 21 -1.585 2.840 9.945 155 H LEU 22 HN LEU 22 0.620 -0.163 6.705 156 HA LEU 22 HA LEU 22 -1.239 -1.952 5.400 157 1HB LEU 22 2HB LEU 22 1.417 -0.758 4.589 158 2HB LEU 22 1HB LEU 22 0.424 -1.741 3.507 159 HG LEU 22 HG LEU 22 -0.546 0.769 4.910 160 1HD1 LEU 22 1HD1 LEU 22 0.588 0.277 2.145 161 2HD1 LEU 22 3HD1 LEU 22 -0.467 1.650 2.487 162 3HD1 LEU 22 2HD1 LEU 22 1.078 1.496 3.324 163 1HD2 LEU 22 2HD2 LEU 22 -1.711 -1.085 2.810 164 2HD2 LEU 22 1HD2 LEU 22 -2.391 -0.676 4.386 165 3HD2 LEU 22 3HD2 LEU 22 -2.344 0.535 3.105 166 H VAL 23 HN VAL 23 2.239 -2.267 6.257 167 HA VAL 23 HA VAL 23 2.648 -4.898 5.368 168 HB VAL 23 HB VAL 23 4.443 -3.430 6.251 169 1HG1 VAL 23 1HG1 VAL 23 3.038 -2.650 8.226 170 2HG1 VAL 23 3HG1 VAL 23 3.441 -4.179 9.007 171 3HG1 VAL 23 2HG1 VAL 23 4.718 -3.036 8.595 172 1HG2 VAL 23 1HG2 VAL 23 4.079 -6.256 6.853 173 2HG2 VAL 23 3HG2 VAL 23 5.536 -5.404 6.343 174 3HG2 VAL 23 2HG2 VAL 23 5.118 -5.490 8.052 175 H GLN 24 HN GLN 24 0.971 -3.795 8.251 176 HA GLN 24 HA GLN 24 0.839 -6.401 9.525 177 1HB GLN 24 2HB GLN 24 -0.627 -3.789 9.916 178 2HB GLN 24 1HB GLN 24 -1.062 -5.235 10.826 179 1HG GLN 24 2HG GLN 24 1.790 -4.955 10.916 180 2HG GLN 24 1HG GLN 24 1.075 -3.401 11.339 181 1HE2 GLN 24 2HE2 GLN 24 1.281 -5.845 14.309 182 2HE2 GLN 24 1HE2 GLN 24 2.417 -5.527 13.088 183 H THR 25 HN THR 25 -1.323 -4.526 7.413 184 HA THR 25 HA THR 25 -3.542 -6.348 7.550 185 HB THR 25 HB THR 25 -2.804 -4.524 5.244 186 HG1 THR 25 HG1 THR 25 -3.046 -3.050 6.714 187 1HG2 THR 25 3HG2 THR 25 -5.405 -5.733 6.216 188 2HG2 THR 25 2HG2 THR 25 -5.307 -4.464 4.995 189 3HG2 THR 25 1HG2 THR 25 -4.594 -6.047 4.681 190 H ALA 26 HN ALA 26 -1.307 -5.843 4.793 191 HA ALA 26 HA ALA 26 -2.014 -8.160 3.354 192 1HB ALA 26 1HB ALA 26 0.590 -6.629 3.501 193 2HB ALA 26 3HB ALA 26 0.321 -7.949 2.363 194 3HB ALA 26 2HB ALA 26 -0.673 -6.495 2.277 195 H SER 27 HN SER 27 -0.016 -7.855 6.204 196 HA SER 27 HA SER 27 1.503 -10.258 5.982 197 1HB SER 27 2HB SER 27 2.105 -8.705 7.701 198 2HB SER 27 1HB SER 27 0.479 -8.719 8.378 199 HG SER 27 HG SER 27 1.769 -10.062 9.609 200 H LYS 28 HN LYS 28 -1.722 -9.652 7.371 201 HA LYS 28 HA LYS 28 -2.185 -12.311 8.311 202 1HB LYS 28 2HB LYS 28 -4.076 -10.116 7.432 203 2HB LYS 28 1HB LYS 28 -4.633 -11.646 8.112 204 1HG LYS 28 2HG LYS 28 -3.872 -11.148 10.222 205 2HG LYS 28 1HG LYS 28 -2.510 -10.201 9.620 206 1HD LYS 28 2HD LYS 28 -3.813 -8.463 10.374 207 2HD LYS 28 1HD LYS 28 -4.514 -8.627 8.764 208 1HE LYS 28 2HE LYS 28 -6.294 -10.049 9.641 209 2HE LYS 28 1HE LYS 28 -5.566 -10.013 11.248 210 1HZ LYS 28 2HZ LYS 28 -5.807 -7.522 11.104 211 2HZ LYS 28 1HZ LYS 28 -6.807 -7.779 9.754 212 3HZ LYS 28 3HZ LYS 28 -7.252 -8.401 11.269 213 H TYR 29 HN TYR 29 -2.381 -10.888 5.115 214 HA TYR 29 HA TYR 29 -3.842 -13.214 4.033 215 1HB TYR 29 2HB TYR 29 -2.676 -10.783 2.632 216 2HB TYR 29 1HB TYR 29 -3.709 -12.003 1.885 217 HD1 TYR 29 2HD TYR 29 -6.074 -12.256 2.574 218 HD2 TYR 29 1HD TYR 29 -3.589 -9.116 4.127 219 HE1 TYR 29 2HE TYR 29 -8.089 -11.064 3.389 220 HE2 TYR 29 1HE TYR 29 -5.605 -7.924 4.943 221 HH TYR 29 HH TYR 29 -8.412 -9.209 5.460 222 H ASP 30 HN ASP 30 -2.807 -14.978 3.282 223 HA ASP 30 HA ASP 30 0.074 -15.168 3.283 224 1HB ASP 30 2HB ASP 30 -2.017 -17.022 2.101 225 2HB ASP 30 1HB ASP 30 -0.314 -17.424 2.324 226 H ALA 31 HN ALA 31 -2.275 -14.261 0.869 227 HA ALA 31 HA ALA 31 -0.879 -14.884 -1.516 228 1HB ALA 31 1HB ALA 31 -2.763 -12.632 -0.799 229 2HB ALA 31 3HB ALA 31 -2.108 -12.822 -2.425 230 3HB ALA 31 2HB ALA 31 -3.113 -14.092 -1.725 231 H ASP 32 HN ASP 32 0.632 -13.697 -2.760 232 HA ASP 32 HA ASP 32 2.370 -11.915 -1.172 233 1HB ASP 32 2HB ASP 32 2.649 -13.243 -3.876 234 2HB ASP 32 1HB ASP 32 3.820 -12.068 -3.276 235 H VAL 33 HN VAL 33 1.285 -9.934 -1.092 236 HA VAL 33 HA VAL 33 0.455 -8.687 -3.659 237 HB VAL 33 HB VAL 33 -0.662 -7.009 -2.264 238 1HG1 VAL 33 1HG1 VAL 33 -1.356 -9.697 -2.439 239 2HG1 VAL 33 3HG1 VAL 33 -1.511 -9.354 -0.715 240 3HG1 VAL 33 2HG1 VAL 33 -2.411 -8.397 -1.891 241 1HG2 VAL 33 3HG2 VAL 33 1.102 -8.176 -0.199 242 2HG2 VAL 33 2HG2 VAL 33 0.422 -6.554 -0.310 243 3HG2 VAL 33 1HG2 VAL 33 -0.549 -7.874 0.342 244 H ASN 34 HN ASN 34 1.896 -7.396 -4.676 245 HA ASN 34 HA ASN 34 4.020 -6.090 -3.020 246 1HB ASN 34 2HB ASN 34 4.140 -6.931 -5.932 247 2HB ASN 34 1HB ASN 34 5.451 -6.186 -5.015 248 1HD2 ASN 34 2HD2 ASN 34 4.988 -10.154 -4.811 249 2HD2 ASN 34 1HD2 ASN 34 4.232 -9.182 -5.978 250 H LEU 35 HN LEU 35 3.902 -3.920 -2.952 251 HA LEU 35 HA LEU 35 2.151 -2.478 -4.849 252 1HB LEU 35 2HB LEU 35 2.120 -2.034 -2.356 253 2HB LEU 35 1HB LEU 35 3.744 -1.365 -2.521 254 HG LEU 35 HG LEU 35 1.747 -0.320 -4.446 255 1HD1 LEU 35 3HD1 LEU 35 0.791 -0.593 -1.913 256 2HD1 LEU 35 2HD1 LEU 35 1.602 0.967 -1.778 257 3HD1 LEU 35 1HD1 LEU 35 0.340 0.730 -2.987 258 1HD2 LEU 35 2HD2 LEU 35 4.085 0.632 -2.833 259 2HD2 LEU 35 1HD2 LEU 35 3.762 0.825 -4.556 260 3HD2 LEU 35 3HD2 LEU 35 2.912 1.829 -3.382 261 H GLU 36 HN GLU 36 2.961 -0.789 -6.222 262 HA GLU 36 HA GLU 36 5.941 -0.737 -6.503 263 1HB GLU 36 2HB GLU 36 4.816 -2.043 -8.327 264 2HB GLU 36 1HB GLU 36 3.941 -0.578 -8.775 265 1HG GLU 36 2HG GLU 36 6.031 0.584 -9.251 266 2HG GLU 36 1HG GLU 36 6.965 -0.794 -8.669 267 H TYR 37 HN TYR 37 6.787 1.255 -7.425 268 HA TYR 37 HA TYR 37 4.971 3.589 -7.483 269 1HB TYR 37 2HB TYR 37 5.692 3.448 -5.127 270 2HB TYR 37 1HB TYR 37 7.378 3.397 -5.636 271 HD1 TYR 37 1HD TYR 37 4.534 5.513 -6.882 272 HD2 TYR 37 2HD TYR 37 8.347 5.402 -4.902 273 HE1 TYR 37 1HE TYR 37 4.616 7.991 -6.898 274 HE2 TYR 37 2HE TYR 37 8.427 7.880 -4.921 275 HH TYR 37 HH TYR 37 6.668 9.775 -5.013 276 H ASN 38 HN ASN 38 5.454 4.183 -9.551 277 HA ASN 38 HA ASN 38 6.674 5.152 -11.294 278 1HB ASN 38 2HB ASN 38 8.303 5.692 -8.995 279 2HB ASN 38 1HB ASN 38 9.366 5.187 -10.307 280 1HD2 ASN 38 2HD2 ASN 38 6.947 8.401 -11.179 281 2HD2 ASN 38 1HD2 ASN 38 6.285 7.066 -10.366 282 H GLY 39 HN GLY 39 9.370 3.256 -9.920 283 1HA GLY 39 2HA GLY 39 8.923 1.144 -11.940 284 2HA GLY 39 1HA GLY 39 10.432 2.050 -12.056 285 H LYS 40 HN LYS 40 8.979 1.428 -8.933 286 HA LYS 40 HA LYS 40 11.076 -0.644 -8.415 287 1HB LYS 40 2HB LYS 40 10.213 1.700 -6.707 288 2HB LYS 40 1HB LYS 40 11.057 0.309 -6.029 289 1HG LYS 40 2HG LYS 40 12.920 1.520 -6.567 290 2HG LYS 40 1HG LYS 40 12.649 0.828 -8.166 291 1HD LYS 40 2HD LYS 40 11.328 2.814 -8.805 292 2HD LYS 40 1HD LYS 40 11.602 3.509 -7.207 293 1HE LYS 40 2HE LYS 40 13.404 4.493 -8.184 294 2HE LYS 40 1HE LYS 40 14.165 2.915 -7.980 295 1HZ LYS 40 3HZ LYS 40 13.360 2.304 -10.190 296 2HZ LYS 40 2HZ LYS 40 12.692 3.855 -10.383 297 3HZ LYS 40 1HZ LYS 40 14.375 3.661 -10.249 298 H THR 41 HN THR 41 10.041 -2.537 -8.054 299 HA THR 41 HA THR 41 7.268 -2.531 -7.046 300 HB THR 41 HB THR 41 8.997 -4.909 -7.774 301 HG1 THR 41 HG1 THR 41 8.086 -4.719 -9.807 302 1HG2 THR 41 3HG2 THR 41 6.838 -5.178 -6.413 303 2HG2 THR 41 2HG2 THR 41 5.991 -4.634 -7.861 304 3HG2 THR 41 1HG2 THR 41 6.952 -6.113 -7.904 305 H VAL 42 HN VAL 42 7.579 -1.898 -4.857 306 HA VAL 42 HA VAL 42 9.316 -3.591 -3.153 307 HB VAL 42 HB VAL 42 8.293 -2.087 -1.288 308 1HG1 VAL 42 1HG1 VAL 42 10.360 -1.535 -3.309 309 2HG1 VAL 42 3HG1 VAL 42 9.805 -0.110 -2.429 310 3HG1 VAL 42 2HG1 VAL 42 10.454 -1.493 -1.546 311 1HG2 VAL 42 1HG2 VAL 42 6.506 -1.247 -2.989 312 2HG2 VAL 42 3HG2 VAL 42 7.250 -0.072 -1.904 313 3HG2 VAL 42 2HG2 VAL 42 7.792 -0.193 -3.578 314 H ASN 43 HN ASN 43 8.485 -4.910 -1.482 315 HA ASN 43 HA ASN 43 5.843 -6.033 -2.046 316 1HB ASN 43 2HB ASN 43 7.907 -7.359 -1.323 317 2HB ASN 43 1HB ASN 43 7.647 -6.696 0.291 318 1HD2 ASN 43 2HD2 ASN 43 5.677 -9.663 0.689 319 2HD2 ASN 43 1HD2 ASN 43 7.206 -8.987 0.987 320 H LEU 44 HN LEU 44 3.998 -5.762 -0.798 321 HA LEU 44 HA LEU 44 3.602 -3.420 0.720 322 1HB LEU 44 2HB LEU 44 1.888 -5.124 -0.276 323 2HB LEU 44 1HB LEU 44 2.057 -5.959 1.263 324 HG LEU 44 HG LEU 44 0.119 -4.378 1.196 325 1HD1 LEU 44 1HD1 LEU 44 1.809 -4.892 3.244 326 2HD1 LEU 44 3HD1 LEU 44 1.922 -3.134 3.185 327 3HD1 LEU 44 2HD1 LEU 44 0.354 -3.910 3.404 328 1HD2 LEU 44 2HD2 LEU 44 1.383 -2.666 -0.241 329 2HD2 LEU 44 1HD2 LEU 44 0.416 -2.017 1.084 330 3HD2 LEU 44 3HD2 LEU 44 2.167 -2.152 1.253 331 H LYS 45 HN LYS 45 4.904 -6.522 1.667 332 HA LYS 45 HA LYS 45 4.824 -5.837 4.540 333 1HB LYS 45 2HB LYS 45 5.711 -8.261 2.966 334 2HB LYS 45 1HB LYS 45 6.090 -8.088 4.680 335 1HG LYS 45 2HG LYS 45 4.065 -9.204 4.828 336 2HG LYS 45 1HG LYS 45 3.499 -7.534 4.850 337 1HD LYS 45 2HD LYS 45 2.145 -8.353 3.172 338 2HD LYS 45 1HD LYS 45 3.537 -7.877 2.201 339 1HE LYS 45 2HE LYS 45 3.640 -10.010 1.478 340 2HE LYS 45 1HE LYS 45 4.159 -10.461 3.101 341 1HZ LYS 45 2HZ LYS 45 1.340 -10.275 2.182 342 2HZ LYS 45 1HZ LYS 45 2.214 -11.717 2.394 343 3HZ LYS 45 3HZ LYS 45 1.853 -10.741 3.734 344 H SER 46 HN SER 46 6.225 -3.886 3.482 345 HA SER 46 HA SER 46 9.012 -4.440 4.294 346 1HB SER 46 2HB SER 46 8.631 -4.682 1.687 347 2HB SER 46 1HB SER 46 8.606 -2.921 1.722 348 HG SER 46 HG SER 46 10.662 -2.891 2.353 349 H ILE 47 HN ILE 47 9.178 -2.941 5.890 350 HA ILE 47 HA ILE 47 7.752 -0.374 5.667 351 HB ILE 47 HB ILE 47 9.544 -1.328 7.907 352 1HG1 ILE 47 2HG1 ILE 47 6.554 -1.700 7.475 353 2HG1 ILE 47 1HG1 ILE 47 7.766 -2.977 7.501 354 1HG2 ILE 47 1HG2 ILE 47 8.811 1.147 7.622 355 2HG2 ILE 47 3HG2 ILE 47 7.199 0.570 8.046 356 3HG2 ILE 47 2HG2 ILE 47 8.530 0.384 9.188 357 1HD1 ILE 47 2HD1 ILE 47 8.335 -2.004 9.878 358 2HD1 ILE 47 1HD1 ILE 47 6.704 -1.339 9.779 359 3HD1 ILE 47 3HD1 ILE 47 6.953 -3.082 9.681 360 H MET 48 HN MET 48 11.113 -1.528 5.890 361 HA MET 48 HA MET 48 12.204 1.175 5.711 362 1HB MET 48 2HB MET 48 13.240 -1.045 6.734 363 2HB MET 48 1HB MET 48 13.847 -1.247 5.090 364 1HG MET 48 2HG MET 48 14.838 1.022 5.188 365 2HG MET 48 1HG MET 48 14.263 1.191 6.847 366 1HE MET 48 2HE MET 48 16.888 1.458 5.373 367 2HE MET 48 1HE MET 48 18.203 0.622 6.194 368 3HE MET 48 3HE MET 48 17.456 -0.091 4.758 369 H GLY 49 HN GLY 49 11.276 -1.315 3.445 370 1HA GLY 49 2HA GLY 49 12.868 -0.273 1.235 371 2HA GLY 49 1HA GLY 49 11.595 -1.488 1.112 372 H VAL 50 HN VAL 50 9.637 0.274 2.512 373 HA VAL 50 HA VAL 50 8.769 1.769 0.136 374 HB VAL 50 HB VAL 50 7.464 1.568 2.867 375 1HG1 VAL 50 1HG1 VAL 50 6.665 3.441 1.470 376 2HG1 VAL 50 3HG1 VAL 50 6.369 2.322 0.138 377 3HG1 VAL 50 2HG1 VAL 50 5.426 2.196 1.624 378 1HG2 VAL 50 1HG2 VAL 50 7.917 -0.615 1.552 379 2HG2 VAL 50 3HG2 VAL 50 6.259 -0.309 2.067 380 3HG2 VAL 50 2HG2 VAL 50 6.732 -0.007 0.395 381 H VAL 51 HN VAL 51 9.735 2.514 3.483 382 HA VAL 51 HA VAL 51 9.309 5.332 3.344 383 HB VAL 51 HB VAL 51 9.693 4.092 5.453 384 1HG1 VAL 51 2HG1 VAL 51 11.519 2.628 4.476 385 2HG1 VAL 51 1HG1 VAL 51 12.609 4.003 4.653 386 3HG1 VAL 51 3HG1 VAL 51 11.861 3.281 6.078 387 1HG2 VAL 51 1HG2 VAL 51 11.540 6.379 4.760 388 2HG2 VAL 51 3HG2 VAL 51 10.015 6.437 5.643 389 3HG2 VAL 51 2HG2 VAL 51 11.443 5.730 6.397 390 H SER 52 HN SER 52 12.066 3.318 2.444 391 HA SER 52 HA SER 52 13.995 5.341 1.981 392 1HB SER 52 2HB SER 52 15.139 3.729 0.603 393 2HB SER 52 1HB SER 52 14.375 2.841 1.919 394 HG SER 52 HG SER 52 13.943 2.715 -0.764 395 H LEU 53 HN LEU 53 11.233 4.348 0.046 396 HA LEU 53 HA LEU 53 12.010 5.586 -2.421 397 1HB LEU 53 2HB LEU 53 9.349 4.845 -1.211 398 2HB LEU 53 1HB LEU 53 9.438 5.697 -2.752 399 HG LEU 53 HG LEU 53 11.009 3.170 -2.235 400 1HD1 LEU 53 2HD1 LEU 53 8.136 3.543 -3.007 401 2HD1 LEU 53 1HD1 LEU 53 9.050 2.232 -3.751 402 3HD1 LEU 53 3HD1 LEU 53 8.870 2.295 -1.999 403 1HD2 LEU 53 2HD2 LEU 53 11.270 4.982 -4.210 404 2HD2 LEU 53 1HD2 LEU 53 11.509 3.256 -4.481 405 3HD2 LEU 53 3HD2 LEU 53 9.971 4.011 -4.900 406 H GLY 54 HN GLY 54 9.883 6.782 0.202 407 1HA GLY 54 2HA GLY 54 9.827 9.021 1.039 408 2HA GLY 54 1HA GLY 54 10.845 9.527 -0.310 409 H ILE 55 HN ILE 55 7.626 7.991 0.045 410 HA ILE 55 HA ILE 55 6.620 9.387 -2.315 411 HB ILE 55 HB ILE 55 5.082 7.829 -0.213 412 1HG1 ILE 55 2HG1 ILE 55 6.080 6.801 -2.877 413 2HG1 ILE 55 1HG1 ILE 55 7.034 6.636 -1.403 414 1HG2 ILE 55 1HG2 ILE 55 4.475 8.817 -3.001 415 2HG2 ILE 55 3HG2 ILE 55 3.597 7.458 -2.297 416 3HG2 ILE 55 2HG2 ILE 55 3.532 9.045 -1.529 417 1HD1 ILE 55 3HD1 ILE 55 4.172 5.793 -1.295 418 2HD1 ILE 55 2HD1 ILE 55 5.300 4.748 -2.160 419 3HD1 ILE 55 1HD1 ILE 55 5.572 5.122 -0.458 420 H ALA 56 HN ALA 56 4.655 10.805 -2.173 421 HA ALA 56 HA ALA 56 4.358 12.234 0.412 422 1HB ALA 56 2HB ALA 56 6.090 13.229 -1.435 423 2HB ALA 56 1HB ALA 56 4.592 14.001 -1.955 424 3HB ALA 56 3HB ALA 56 5.183 14.238 -0.309 425 H LYS 57 HN LYS 57 2.798 14.364 -0.626 426 HA LYS 57 HA LYS 57 0.294 12.917 -1.183 427 1HB LYS 57 2HB LYS 57 -0.733 15.202 -0.955 428 2HB LYS 57 1HB LYS 57 0.192 14.698 0.459 429 1HG LYS 57 2HG LYS 57 1.914 16.187 0.041 430 2HG LYS 57 1HG LYS 57 1.611 16.211 -1.696 431 1HD LYS 57 2HD LYS 57 -0.627 17.237 -0.066 432 2HD LYS 57 1HD LYS 57 0.847 18.198 0.045 433 1HE LYS 57 2HE LYS 57 0.608 18.987 -2.060 434 2HE LYS 57 1HE LYS 57 0.248 17.387 -2.706 435 1HZ LYS 57 3HZ LYS 57 -2.006 17.696 -1.589 436 2HZ LYS 57 2HZ LYS 57 -1.601 19.344 -1.492 437 3HZ LYS 57 1HZ LYS 57 -1.707 18.579 -3.006 438 H GLY 58 HN GLY 58 1.409 12.330 -3.384 439 1HA GLY 58 2HA GLY 58 0.027 13.427 -5.523 440 2HA GLY 58 1HA GLY 58 1.505 14.387 -5.427 441 H ALA 59 HN ALA 59 0.773 10.908 -5.008 442 HA ALA 59 HA ALA 59 2.698 10.310 -7.201 443 1HB ALA 59 3HB ALA 59 2.988 9.655 -4.329 444 2HB ALA 59 2HB ALA 59 3.276 8.309 -5.432 445 3HB ALA 59 1HB ALA 59 4.221 9.791 -5.582 446 H GLU 60 HN GLU 60 2.540 7.915 -7.793 447 HA GLU 60 HA GLU 60 -0.236 6.896 -7.327 448 1HB GLU 60 2HB GLU 60 1.362 6.885 -9.908 449 2HB GLU 60 1HB GLU 60 -0.167 6.036 -9.678 450 1HG GLU 60 2HG GLU 60 -1.061 8.361 -8.898 451 2HG GLU 60 1HG GLU 60 0.352 9.000 -9.739 452 H ILE 61 HN ILE 61 -0.318 4.779 -6.701 453 HA ILE 61 HA ILE 61 2.185 3.160 -6.960 454 HB ILE 61 HB ILE 61 1.535 2.106 -4.779 455 1HG1 ILE 61 2HG1 ILE 61 -0.467 4.389 -4.698 456 2HG1 ILE 61 1HG1 ILE 61 -0.882 2.691 -4.920 457 1HG2 ILE 61 1HG2 ILE 61 3.120 4.114 -5.058 458 2HG2 ILE 61 3HG2 ILE 61 1.776 5.109 -4.495 459 3HG2 ILE 61 2HG2 ILE 61 2.448 3.859 -3.447 460 1HD1 ILE 61 1HD1 ILE 61 0.777 2.759 -2.639 461 2HD1 ILE 61 3HD1 ILE 61 -0.330 4.120 -2.461 462 3HD1 ILE 61 2HD1 ILE 61 -0.966 2.490 -2.677 463 H THR 62 HN THR 62 1.902 1.096 -7.753 464 HA THR 62 HA THR 62 -0.913 0.256 -8.321 465 HB THR 62 HB THR 62 1.504 -0.815 -9.769 466 HG1 THR 62 HG1 THR 62 1.042 0.855 -11.319 467 1HG2 THR 62 2HG2 THR 62 -1.408 -0.421 -10.512 468 2HG2 THR 62 1HG2 THR 62 -0.178 -1.126 -11.560 469 3HG2 THR 62 3HG2 THR 62 -0.651 -1.952 -10.074 470 H ILE 63 HN ILE 63 -1.529 -1.275 -6.883 471 HA ILE 63 HA ILE 63 0.490 -3.108 -5.725 472 HB ILE 63 HB ILE 63 -2.445 -2.660 -5.084 473 1HG1 ILE 63 2HG1 ILE 63 0.067 -1.947 -3.540 474 2HG1 ILE 63 1HG1 ILE 63 -0.857 -0.807 -4.517 475 1HG2 ILE 63 1HG2 ILE 63 -0.378 -4.545 -3.952 476 2HG2 ILE 63 3HG2 ILE 63 -1.707 -3.957 -2.953 477 3HG2 ILE 63 2HG2 ILE 63 -2.047 -4.885 -4.414 478 1HD1 ILE 63 2HD1 ILE 63 -2.877 -1.717 -3.050 479 2HD1 ILE 63 1HD1 ILE 63 -1.580 -2.098 -1.918 480 3HD1 ILE 63 3HD1 ILE 63 -1.825 -0.435 -2.448 481 H SER 64 HN SER 64 0.126 -5.433 -5.758 482 HA SER 64 HA SER 64 -1.843 -6.468 -7.701 483 1HB SER 64 2HB SER 64 0.164 -7.848 -8.696 484 2HB SER 64 1HB SER 64 -0.140 -6.215 -9.278 485 HG SER 64 HG SER 64 1.894 -7.207 -7.654 486 H ALA 65 HN ALA 65 -2.820 -7.847 -6.270 487 HA ALA 65 HA ALA 65 -1.186 -9.450 -4.402 488 1HB ALA 65 3HB ALA 65 -3.435 -8.349 -3.816 489 2HB ALA 65 2HB ALA 65 -4.179 -9.616 -4.793 490 3HB ALA 65 1HB ALA 65 -3.243 -10.043 -3.360 491 H SER 66 HN SER 66 -0.737 -11.608 -4.713 492 HA SER 66 HA SER 66 -2.236 -13.114 -6.779 493 1HB SER 66 2HB SER 66 0.363 -12.002 -7.224 494 2HB SER 66 1HB SER 66 0.528 -13.752 -7.141 495 HG SER 66 HG SER 66 -0.283 -12.395 -9.176 496 H GLY 67 HN GLY 67 -2.958 -14.751 -5.488 497 1HA GLY 67 2HA GLY 67 -1.282 -16.829 -4.579 498 2HA GLY 67 1HA GLY 67 -1.561 -15.769 -3.196 499 H ALA 68 HN ALA 68 -2.902 -17.174 -2.029 500 HA ALA 68 HA ALA 68 -5.169 -18.519 -3.269 501 1HB ALA 68 1HB ALA 68 -4.154 -18.192 -0.458 502 2HB ALA 68 3HB ALA 68 -5.779 -18.819 -0.732 503 3HB ALA 68 2HB ALA 68 -4.383 -19.671 -1.391 504 H ASP 69 HN ASP 69 -5.252 -16.275 -0.494 505 HA ASP 69 HA ASP 69 -7.834 -15.218 -1.510 506 1HB ASP 69 2HB ASP 69 -7.950 -14.129 0.749 507 2HB ASP 69 1HB ASP 69 -7.816 -15.885 0.829 508 H GLU 70 HN GLU 70 -5.662 -14.437 -3.050 509 HA GLU 70 HA GLU 70 -4.348 -12.039 -2.316 510 1HB GLU 70 2HB GLU 70 -4.101 -11.656 -4.757 511 2HB GLU 70 1HB GLU 70 -3.721 -13.318 -4.310 512 1HG GLU 70 2HG GLU 70 -6.167 -13.860 -4.875 513 2HG GLU 70 1HG GLU 70 -6.227 -12.271 -5.637 514 H ASN 71 HN ASN 71 -7.510 -12.498 -3.896 515 HA ASN 71 HA ASN 71 -8.088 -9.736 -4.316 516 1HB ASN 71 2HB ASN 71 -9.744 -12.227 -4.072 517 2HB ASN 71 1HB ASN 71 -10.545 -10.655 -4.103 518 1HD2 ASN 71 1HD2 ASN 71 -10.934 -9.796 -6.155 519 2HD2 ASN 71 2HD2 ASN 71 -10.163 -10.303 -7.580 520 H ASP 72 HN ASP 72 -8.597 -11.855 -1.529 521 HA ASP 72 HA ASP 72 -10.191 -10.028 0.001 522 1HB ASP 72 2HB ASP 72 -8.346 -12.194 1.029 523 2HB ASP 72 1HB ASP 72 -9.713 -11.480 1.886 524 H ALA 73 HN ALA 73 -6.691 -10.440 -0.321 525 HA ALA 73 HA ALA 73 -6.024 -8.775 1.947 526 1HB ALA 73 3HB ALA 73 -4.540 -10.513 0.775 527 2HB ALA 73 2HB ALA 73 -4.226 -9.254 -0.419 528 3HB ALA 73 1HB ALA 73 -3.780 -8.998 1.268 529 H LEU 74 HN LEU 74 -5.825 -8.115 -1.585 530 HA LEU 74 HA LEU 74 -4.960 -5.452 -1.373 531 1HB LEU 74 2HB LEU 74 -5.954 -5.102 -3.620 532 2HB LEU 74 1HB LEU 74 -5.011 -6.583 -3.508 533 HG LEU 74 HG LEU 74 -7.417 -7.571 -2.828 534 1HD1 LEU 74 2HD1 LEU 74 -8.158 -5.028 -3.399 535 2HD1 LEU 74 1HD1 LEU 74 -8.281 -5.738 -5.010 536 3HD1 LEU 74 3HD1 LEU 74 -9.215 -6.414 -3.676 537 1HD2 LEU 74 3HD2 LEU 74 -5.956 -7.213 -5.395 538 2HD2 LEU 74 2HD2 LEU 74 -6.429 -8.695 -4.571 539 3HD2 LEU 74 1HD2 LEU 74 -7.618 -7.792 -5.512 540 H ASN 75 HN ASN 75 -8.361 -6.603 -1.420 541 HA ASN 75 HA ASN 75 -9.439 -3.938 -1.235 542 1HB ASN 75 2HB ASN 75 -11.569 -4.967 -0.747 543 2HB ASN 75 1HB ASN 75 -10.768 -5.939 -1.975 544 1HD2 ASN 75 2HD2 ASN 75 -11.186 -7.492 1.813 545 2HD2 ASN 75 1HD2 ASN 75 -11.240 -5.809 1.601 546 H ALA 76 HN ALA 76 -8.174 -6.190 1.123 547 HA ALA 76 HA ALA 76 -9.315 -5.037 3.479 548 1HB ALA 76 3HB ALA 76 -7.779 -7.195 3.062 549 2HB ALA 76 2HB ALA 76 -6.515 -6.071 3.561 550 3HB ALA 76 1HB ALA 76 -7.868 -6.411 4.639 551 H LEU 77 HN LEU 77 -6.138 -4.447 1.914 552 HA LEU 77 HA LEU 77 -5.397 -2.291 3.643 553 1HB LEU 77 2HB LEU 77 -4.553 -2.707 0.765 554 2HB LEU 77 1HB LEU 77 -3.686 -1.794 1.999 555 HG LEU 77 HG LEU 77 -4.224 -4.443 3.012 556 1HD1 LEU 77 1HD1 LEU 77 -4.291 -4.871 0.472 557 2HD1 LEU 77 3HD1 LEU 77 -2.569 -4.488 0.488 558 3HD1 LEU 77 2HD1 LEU 77 -3.177 -5.852 1.426 559 1HD2 LEU 77 3HD2 LEU 77 -2.402 -2.845 3.678 560 2HD2 LEU 77 2HD2 LEU 77 -1.816 -4.469 3.318 561 3HD2 LEU 77 1HD2 LEU 77 -1.610 -3.176 2.137 562 H GLU 78 HN GLU 78 -7.361 -2.418 0.710 563 HA GLU 78 HA GLU 78 -7.355 0.363 0.075 564 1HB GLU 78 2HB GLU 78 -8.272 -1.380 -1.422 565 2HB GLU 78 1HB GLU 78 -9.593 -1.654 -0.292 566 1HG GLU 78 2HG GLU 78 -10.666 0.302 -0.853 567 2HG GLU 78 1HG GLU 78 -9.160 1.153 -1.194 568 H GLU 79 HN GLU 79 -9.714 -1.481 2.068 569 HA GLU 79 HA GLU 79 -11.259 0.781 2.840 570 1HB GLU 79 2HB GLU 79 -12.033 -0.663 4.724 571 2HB GLU 79 1HB GLU 79 -12.096 -1.483 3.165 572 1HG GLU 79 2HG GLU 79 -10.189 -2.784 3.633 573 2HG GLU 79 1HG GLU 79 -9.673 -1.719 4.940 574 H THR 80 HN THR 80 -8.203 -0.454 4.026 575 HA THR 80 HA THR 80 -8.203 1.014 6.522 576 HB THR 80 HB THR 80 -5.853 0.018 4.873 577 HG1 THR 80 HG1 THR 80 -7.459 -1.558 5.559 578 1HG2 THR 80 2HG2 THR 80 -6.158 1.096 7.661 579 2HG2 THR 80 1HG2 THR 80 -4.899 -0.090 7.311 580 3HG2 THR 80 3HG2 THR 80 -4.917 1.455 6.460 581 H MET 81 HN MET 81 -7.239 1.696 3.211 582 HA MET 81 HA MET 81 -5.881 4.187 3.777 583 1HB MET 81 2HB MET 81 -7.130 3.096 1.236 584 2HB MET 81 1HB MET 81 -6.142 4.553 1.309 585 1HG MET 81 2HG MET 81 -5.007 2.084 2.534 586 2HG MET 81 1HG MET 81 -5.084 2.144 0.774 587 1HE MET 81 1HE MET 81 -2.614 1.912 0.566 588 2HE MET 81 3HE MET 81 -3.276 3.062 -0.605 589 3HE MET 81 2HE MET 81 -1.741 3.396 0.194 590 H LYS 82 HN LYS 82 -9.206 3.252 3.131 591 HA LYS 82 HA LYS 82 -10.105 6.039 2.849 592 1HB LYS 82 2HB LYS 82 -11.406 3.339 2.719 593 2HB LYS 82 1HB LYS 82 -12.411 4.763 2.979 594 1HG LYS 82 2HG LYS 82 -12.289 5.291 0.795 595 2HG LYS 82 1HG LYS 82 -10.530 5.343 0.878 596 1HD LYS 82 2HD LYS 82 -11.092 3.686 -0.766 597 2HD LYS 82 1HD LYS 82 -10.555 2.811 0.669 598 1HE LYS 82 2HE LYS 82 -12.520 1.670 0.127 599 2HE LYS 82 1HE LYS 82 -13.099 2.845 1.309 600 1HZ LYS 82 1HZ LYS 82 -13.159 3.214 -1.637 601 2HZ LYS 82 3HZ LYS 82 -14.491 2.767 -0.684 602 3HZ LYS 82 2HZ LYS 82 -13.772 4.293 -0.478 603 H SER 83 HN SER 83 -9.628 3.785 5.432 604 HA SER 83 HA SER 83 -11.664 4.602 7.242 605 1HB SER 83 2HB SER 83 -10.298 3.623 8.970 606 2HB SER 83 1HB SER 83 -10.093 2.640 7.524 607 HG SER 83 HG SER 83 -8.223 3.805 8.922 608 H GLU 84 HN GLU 84 -8.312 5.809 6.884 609 HA GLU 84 HA GLU 84 -9.066 8.168 8.547 610 1HB GLU 84 2HB GLU 84 -6.437 6.886 7.817 611 2HB GLU 84 1HB GLU 84 -6.495 8.548 8.403 612 1HG GLU 84 2HG GLU 84 -7.933 7.599 10.339 613 2HG GLU 84 1HG GLU 84 -7.318 6.025 9.835 614 H GLY 85 HN GLY 85 -7.203 7.428 5.577 615 1HA GLY 85 2HA GLY 85 -8.154 8.765 3.562 616 2HA GLY 85 1HA GLY 85 -7.864 10.168 4.593 617 H LEU 86 HN LEU 86 -5.957 7.229 3.858 618 HA LEU 86 HA LEU 86 -3.501 8.821 3.733 619 1HB LEU 86 2HB LEU 86 -4.075 5.884 3.280 620 2HB LEU 86 1HB LEU 86 -2.462 6.590 3.169 621 HG LEU 86 HG LEU 86 -4.249 6.767 5.612 622 1HD1 LEU 86 2HD1 LEU 86 -3.270 4.463 4.913 623 2HD1 LEU 86 1HD1 LEU 86 -1.716 5.156 5.374 624 3HD1 LEU 86 3HD1 LEU 86 -3.005 5.011 6.568 625 1HD2 LEU 86 3HD2 LEU 86 -1.521 7.786 4.882 626 2HD2 LEU 86 2HD2 LEU 86 -2.803 8.584 5.796 627 3HD2 LEU 86 1HD2 LEU 86 -1.835 7.319 6.554 628 H GLY 87 HN GLY 87 -4.992 6.524 1.418 629 1HA GLY 87 2HA GLY 87 -4.563 8.445 -0.778 630 2HA GLY 87 1HA GLY 87 -3.631 6.951 -0.878 631 H GLU 88 HN GLU 88 -6.134 8.183 -2.320 632 HA GLU 88 HA GLU 88 -7.580 5.587 -2.462 633 1HB GLU 88 2HB GLU 88 -9.751 6.817 -2.516 634 2HB GLU 88 1HB GLU 88 -8.922 6.980 -0.969 635 1HG GLU 88 2HG GLU 88 -7.880 9.121 -2.206 636 2HG GLU 88 1HG GLU 88 -9.404 9.022 -3.088 No H/Q in entry = 636 Start of MODEL 13 1 1H ALA 2 1HT ALA 2 -6.442 -8.386 -10.744 2 2H ALA 2 3HT ALA 2 -5.483 -9.754 -10.449 3 3H ALA 2 2HT ALA 2 -7.167 -9.918 -10.615 4 HA ALA 2 HA ALA 2 -7.617 -8.996 -8.563 5 1HB ALA 2 1HB ALA 2 -5.273 -10.815 -8.665 6 2HB ALA 2 3HB ALA 2 -5.549 -9.999 -7.125 7 3HB ALA 2 2HB ALA 2 -6.814 -11.007 -7.829 8 H GLN 3 HN GLN 3 -4.532 -7.978 -9.869 9 HA GLN 3 HA GLN 3 -3.617 -6.358 -7.711 10 1HB GLN 3 2HB GLN 3 -2.411 -5.069 -9.516 11 2HB GLN 3 1HB GLN 3 -2.138 -6.810 -9.566 12 1HG GLN 3 2HG GLN 3 -3.601 -7.100 -11.410 13 2HG GLN 3 1HG GLN 3 -4.326 -5.507 -11.189 14 1HE2 GLN 3 2HE2 GLN 3 -2.116 -4.246 -13.626 15 2HE2 GLN 3 1HE2 GLN 3 -3.719 -4.411 -13.093 16 H LYS 4 HN LYS 4 -3.819 -4.054 -7.403 17 HA LYS 4 HA LYS 4 -6.095 -2.756 -8.831 18 1HB LYS 4 2HB LYS 4 -6.825 -3.755 -6.598 19 2HB LYS 4 1HB LYS 4 -5.752 -2.586 -5.828 20 1HG LYS 4 2HG LYS 4 -6.997 -0.738 -6.638 21 2HG LYS 4 1HG LYS 4 -7.847 -1.727 -7.825 22 1HD LYS 4 2HD LYS 4 -8.987 -2.941 -6.006 23 2HD LYS 4 1HD LYS 4 -8.136 -1.956 -4.815 24 1HE LYS 4 2HE LYS 4 -9.218 0.056 -5.608 25 2HE LYS 4 1HE LYS 4 -9.934 -0.809 -6.968 26 1HZ LYS 4 3HZ LYS 4 -10.460 -1.672 -4.199 27 2HZ LYS 4 2HZ LYS 4 -11.350 -0.399 -4.885 28 3HZ LYS 4 1HZ LYS 4 -11.386 -1.942 -5.594 29 H THR 5 HN THR 5 -6.085 -0.344 -8.423 30 HA THR 5 HA THR 5 -3.276 0.616 -8.035 31 HB THR 5 HB THR 5 -5.449 1.933 -9.688 32 HG1 THR 5 HG1 THR 5 -4.422 1.019 -11.441 33 1HG2 THR 5 2HG2 THR 5 -3.644 3.407 -8.840 34 2HG2 THR 5 1HG2 THR 5 -2.447 2.340 -9.574 35 3HG2 THR 5 3HG2 THR 5 -3.577 3.231 -10.593 36 H PHE 6 HN PHE 6 -2.954 2.284 -6.588 37 HA PHE 6 HA PHE 6 -5.392 3.461 -5.312 38 1HB PHE 6 2HB PHE 6 -2.824 2.493 -4.036 39 2HB PHE 6 1HB PHE 6 -3.953 3.565 -3.207 40 HD1 PHE 6 1HD PHE 6 -3.519 0.200 -4.693 41 HD2 PHE 6 2HD PHE 6 -6.089 2.778 -2.413 42 HE1 PHE 6 1HE PHE 6 -4.929 -1.747 -4.080 43 HE2 PHE 6 2HE PHE 6 -7.499 0.831 -1.802 44 HZ PHE 6 HZ PHE 6 -6.919 -1.430 -2.633 45 H LYS 7 HN LYS 7 -5.268 5.672 -4.828 46 HA LYS 7 HA LYS 7 -2.943 7.099 -6.047 47 1HB LYS 7 2HB LYS 7 -5.529 7.440 -6.671 48 2HB LYS 7 1HB LYS 7 -5.445 8.543 -5.297 49 1HG LYS 7 2HG LYS 7 -4.910 9.833 -7.254 50 2HG LYS 7 1HG LYS 7 -3.400 9.576 -6.379 51 1HD LYS 7 2HD LYS 7 -2.636 8.885 -8.415 52 2HD LYS 7 1HD LYS 7 -3.418 7.369 -7.970 53 1HE LYS 7 2HE LYS 7 -5.197 9.397 -9.198 54 2HE LYS 7 1HE LYS 7 -3.965 8.723 -10.266 55 1HZ LYS 7 1HZ LYS 7 -5.853 7.127 -8.621 56 2HZ LYS 7 3HZ LYS 7 -6.024 7.427 -10.282 57 3HZ LYS 7 2HZ LYS 7 -4.707 6.513 -9.716 58 H VAL 8 HN VAL 8 -1.625 8.247 -4.723 59 HA VAL 8 HA VAL 8 -2.262 8.348 -1.839 60 HB VAL 8 HB VAL 8 0.251 9.314 -3.231 61 1HG1 VAL 8 3HG1 VAL 8 -0.648 8.894 -0.422 62 2HG1 VAL 8 2HG1 VAL 8 1.015 8.447 -0.801 63 3HG1 VAL 8 1HG1 VAL 8 0.460 10.098 -1.079 64 1HG2 VAL 8 1HG2 VAL 8 -0.531 6.565 -2.221 65 2HG2 VAL 8 3HG2 VAL 8 0.032 7.000 -3.835 66 3HG2 VAL 8 2HG2 VAL 8 1.149 7.045 -2.470 67 H THR 9 HN THR 9 -3.434 10.071 -1.172 68 HA THR 9 HA THR 9 -2.884 12.723 -2.445 69 HB THR 9 HB THR 9 -5.433 11.946 -1.017 70 HG1 THR 9 HG1 THR 9 -4.883 11.901 -3.797 71 1HG2 THR 9 1HG2 THR 9 -4.548 14.201 -2.814 72 2HG2 THR 9 3HG2 THR 9 -6.255 13.830 -2.568 73 3HG2 THR 9 2HG2 THR 9 -5.248 14.300 -1.198 74 H ALA 10 HN ALA 10 -2.744 10.924 0.488 75 HA ALA 10 HA ALA 10 -3.201 12.950 2.427 76 1HB ALA 10 2HB ALA 10 -1.410 10.513 2.429 77 2HB ALA 10 1HB ALA 10 -1.598 11.553 3.841 78 3HB ALA 10 3HB ALA 10 -2.992 10.694 3.185 79 H ASP 11 HN ASP 11 -1.891 14.557 3.270 80 HA ASP 11 HA ASP 11 0.260 15.565 1.638 81 1HB ASP 11 2HB ASP 11 0.578 17.183 3.528 82 2HB ASP 11 1HB ASP 11 -1.091 17.097 2.962 83 H SER 12 HN SER 12 0.123 13.634 4.592 84 HA SER 12 HA SER 12 2.903 13.805 5.273 85 1HB SER 12 2HB SER 12 2.330 11.474 6.352 86 2HB SER 12 1HB SER 12 1.595 12.939 6.998 87 HG SER 12 HG SER 12 -0.286 12.390 6.134 88 H GLY 13 HN GLY 13 1.136 11.861 2.947 89 1HA GLY 13 2HA GLY 13 2.052 10.670 1.107 90 2HA GLY 13 1HA GLY 13 3.666 10.982 1.747 91 H ILE 14 HN ILE 14 4.150 8.695 1.357 92 HA ILE 14 HA ILE 14 2.838 6.861 3.322 93 HB ILE 14 HB ILE 14 4.535 5.918 1.013 94 1HG1 ILE 14 2HG1 ILE 14 2.834 7.356 -0.018 95 2HG1 ILE 14 1HG1 ILE 14 2.435 5.667 -0.316 96 1HG2 ILE 14 2HG2 ILE 14 2.254 4.733 2.618 97 2HG2 ILE 14 1HG2 ILE 14 3.030 3.937 1.250 98 3HG2 ILE 14 3HG2 ILE 14 3.956 4.280 2.710 99 1HD1 ILE 14 3HD1 ILE 14 1.098 6.029 2.000 100 2HD1 ILE 14 2HD1 ILE 14 1.035 7.673 1.368 101 3HD1 ILE 14 1HD1 ILE 14 0.374 6.339 0.422 102 1HN HIP 15 HN HIP 15 4.183 7.457 5.078 103 HA HIP 15 HA HIP 15 7.075 6.899 4.747 104 1HB HIP 15 1HB HIP 15 6.566 9.127 5.602 105 2HB HIP 15 2HB HIP 15 7.400 8.189 6.821 106 HD2 HIP 15 2HD HIP 15 3.582 9.007 6.078 107 HE2 HIP 15 2HE HIP 15 2.477 9.322 8.409 108 HE1 HIP 15 1HE HIP 15 4.172 8.927 10.244 109 H ALA 16 HN ALA 16 7.666 6.374 7.474 110 HA ALA 16 HA ALA 16 7.284 3.581 7.569 111 1HB ALA 16 1HB ALA 16 8.874 5.307 8.893 112 2HB ALA 16 3HB ALA 16 7.704 4.944 10.163 113 3HB ALA 16 2HB ALA 16 8.618 3.638 9.406 114 H ARG 17 HN ARG 17 5.473 6.068 9.468 115 HA ARG 17 HA ARG 17 3.998 4.292 11.064 116 1HB ARG 17 2HB ARG 17 3.976 6.995 10.742 117 2HB ARG 17 1HB ARG 17 2.411 6.569 10.059 118 1HG ARG 17 2HG ARG 17 1.585 6.356 12.137 119 2HG ARG 17 1HG ARG 17 2.696 5.018 12.419 120 1HD ARG 17 2HD ARG 17 3.948 7.683 12.612 121 2HD ARG 17 1HD ARG 17 2.710 7.373 13.829 122 HE ARG 17 HE ARG 17 5.235 5.846 13.508 123 1HH1 ARG 17 HH11 ARG 17 2.214 4.960 14.459 124 2HH1 ARG 17 HH12 ARG 17 2.598 4.652 16.119 125 1HH2 ARG 17 HH21 ARG 17 5.755 6.075 15.927 126 2HH2 ARG 17 HH22 ARG 17 4.603 5.284 16.950 127 HA PRO 18 HA PRO 18 0.558 3.872 7.776 128 1HB PRO 18 2HB PRO 18 1.126 4.663 5.198 129 2HB PRO 18 1HB PRO 18 0.308 5.687 6.391 130 1HG PRO 18 2HG PRO 18 3.147 5.789 5.451 131 2HG PRO 18 1HG PRO 18 2.099 7.107 6.001 132 1HD PRO 18 2HD PRO 18 4.090 5.934 7.553 133 2HD PRO 18 1HD PRO 18 2.712 6.835 8.200 134 H ALA 19 HN ALA 19 3.930 3.429 6.964 135 HA ALA 19 HA ALA 19 3.549 1.193 5.153 136 1HB ALA 19 1HB ALA 19 5.815 2.581 6.448 137 2HB ALA 19 3HB ALA 19 6.074 0.860 6.163 138 3HB ALA 19 2HB ALA 19 5.681 1.927 4.816 139 H THR 20 HN THR 20 3.626 1.595 8.621 140 HA THR 20 HA THR 20 4.100 -1.238 9.180 141 HB THR 20 HB THR 20 2.940 0.624 11.213 142 HG1 THR 20 HG1 THR 20 4.937 1.594 11.477 143 1HG2 THR 20 1HG2 THR 20 4.699 -1.763 11.081 144 2HG2 THR 20 3HG2 THR 20 5.082 -0.583 12.334 145 3HG2 THR 20 2HG2 THR 20 3.483 -1.324 12.280 146 H VAL 21 HN VAL 21 1.384 0.932 8.752 147 HA VAL 21 HA VAL 21 -0.635 -0.782 9.908 148 HB VAL 21 HB VAL 21 -1.012 1.246 7.714 149 1HG1 VAL 21 1HG1 VAL 21 -2.785 -0.046 9.780 150 2HG1 VAL 21 3HG1 VAL 21 -3.224 1.495 9.044 151 3HG1 VAL 21 2HG1 VAL 21 -3.026 0.060 8.036 152 1HG2 VAL 21 1HG2 VAL 21 -0.391 1.576 10.610 153 2HG2 VAL 21 3HG2 VAL 21 -0.026 2.646 9.256 154 3HG2 VAL 21 2HG2 VAL 21 -1.649 2.619 9.947 155 H LEU 22 HN LEU 22 0.730 -0.341 6.706 156 HA LEU 22 HA LEU 22 -1.098 -2.147 5.374 157 1HB LEU 22 2HB LEU 22 1.583 -0.982 4.601 158 2HB LEU 22 1HB LEU 22 0.574 -1.936 3.508 159 HG LEU 22 HG LEU 22 -0.353 0.585 4.920 160 1HD1 LEU 22 3HD1 LEU 22 0.770 0.100 2.148 161 2HD1 LEU 22 2HD1 LEU 22 -0.225 1.507 2.529 162 3HD1 LEU 22 1HD1 LEU 22 1.317 1.269 3.351 163 1HD2 LEU 22 2HD2 LEU 22 -1.536 -1.209 2.778 164 2HD2 LEU 22 1HD2 LEU 22 -2.215 -0.834 4.363 165 3HD2 LEU 22 3HD2 LEU 22 -2.146 0.412 3.116 166 H VAL 23 HN VAL 23 2.351 -2.449 6.338 167 HA VAL 23 HA VAL 23 2.766 -5.097 5.480 168 HB VAL 23 HB VAL 23 4.567 -3.638 6.339 169 1HG1 VAL 23 3HG1 VAL 23 3.178 -2.731 8.242 170 2HG1 VAL 23 2HG1 VAL 23 3.469 -4.248 9.094 171 3HG1 VAL 23 1HG1 VAL 23 4.821 -3.189 8.689 172 1HG2 VAL 23 1HG2 VAL 23 4.428 -6.338 6.562 173 2HG2 VAL 23 3HG2 VAL 23 5.851 -5.406 7.029 174 3HG2 VAL 23 2HG2 VAL 23 4.684 -5.909 8.253 175 H GLN 24 HN GLN 24 1.010 -3.938 8.289 176 HA GLN 24 HA GLN 24 0.885 -6.531 9.610 177 1HB GLN 24 2HB GLN 24 -0.584 -3.917 9.975 178 2HB GLN 24 1HB GLN 24 -0.998 -5.352 10.909 179 1HG GLN 24 2HG GLN 24 1.858 -5.029 10.957 180 2HG GLN 24 1HG GLN 24 1.114 -3.493 11.392 181 1HE2 GLN 24 2HE2 GLN 24 1.424 -5.839 14.396 182 2HE2 GLN 24 1HE2 GLN 24 2.545 -5.425 13.190 183 H THR 25 HN THR 25 -1.237 -4.697 7.428 184 HA THR 25 HA THR 25 -3.444 -6.566 7.604 185 HB THR 25 HB THR 25 -2.795 -4.595 5.390 186 HG1 THR 25 HG1 THR 25 -2.978 -3.735 7.566 187 1HG2 THR 25 2HG2 THR 25 -5.351 -5.983 6.237 188 2HG2 THR 25 1HG2 THR 25 -5.281 -4.661 5.072 189 3HG2 THR 25 3HG2 THR 25 -4.489 -6.195 4.713 190 H ALA 26 HN ALA 26 -1.326 -5.880 4.797 191 HA ALA 26 HA ALA 26 -1.967 -8.140 3.271 192 1HB ALA 26 2HB ALA 26 0.610 -6.575 3.494 193 2HB ALA 26 1HB ALA 26 0.375 -7.854 2.303 194 3HB ALA 26 3HB ALA 26 -0.649 -6.419 2.270 195 H SER 27 HN SER 27 0.118 -7.935 6.087 196 HA SER 27 HA SER 27 1.588 -10.358 5.727 197 1HB SER 27 2HB SER 27 2.328 -8.905 7.459 198 2HB SER 27 1HB SER 27 0.726 -8.824 8.185 199 HG SER 27 HG SER 27 2.533 -10.344 9.016 200 H LYS 28 HN LYS 28 -1.517 -9.730 7.366 201 HA LYS 28 HA LYS 28 -1.998 -12.425 8.182 202 1HB LYS 28 2HB LYS 28 -3.669 -9.975 7.806 203 2HB LYS 28 1HB LYS 28 -4.499 -11.525 7.954 204 1HG LYS 28 2HG LYS 28 -4.337 -10.932 10.191 205 2HG LYS 28 1HG LYS 28 -2.838 -11.844 9.999 206 1HD LYS 28 2HD LYS 28 -1.570 -9.801 9.674 207 2HD LYS 28 1HD LYS 28 -3.049 -8.837 9.669 208 1HE LYS 28 2HE LYS 28 -3.502 -9.508 11.998 209 2HE LYS 28 1HE LYS 28 -2.031 -10.480 12.007 210 1HZ LYS 28 1HZ LYS 28 -1.904 -7.628 11.295 211 2HZ LYS 28 3HZ LYS 28 -1.972 -8.086 12.926 212 3HZ LYS 28 2HZ LYS 28 -0.694 -8.627 11.947 213 H TYR 29 HN TYR 29 -2.256 -10.881 5.065 214 HA TYR 29 HA TYR 29 -4.003 -13.005 3.994 215 1HB TYR 29 2HB TYR 29 -2.709 -10.572 2.727 216 2HB TYR 29 1HB TYR 29 -3.676 -11.742 1.825 217 HD1 TYR 29 2HD TYR 29 -6.070 -12.145 2.471 218 HD2 TYR 29 1HD TYR 29 -3.748 -8.938 4.134 219 HE1 TYR 29 2HE TYR 29 -8.152 -11.036 3.233 220 HE2 TYR 29 1HE TYR 29 -5.831 -7.828 4.900 221 HH TYR 29 HH TYR 29 -8.799 -9.394 5.035 222 H ASP 30 HN ASP 30 -3.226 -14.824 3.088 223 HA ASP 30 HA ASP 30 -0.426 -15.437 3.035 224 1HB ASP 30 2HB ASP 30 -2.923 -16.750 2.033 225 2HB ASP 30 1HB ASP 30 -1.369 -17.346 1.449 226 H ALA 31 HN ALA 31 -2.611 -14.063 0.660 227 HA ALA 31 HA ALA 31 -1.106 -14.559 -1.703 228 1HB ALA 31 1HB ALA 31 -3.066 -12.433 -0.879 229 2HB ALA 31 3HB ALA 31 -2.217 -12.297 -2.419 230 3HB ALA 31 2HB ALA 31 -3.244 -13.694 -2.100 231 H ASP 32 HN ASP 32 0.577 -13.426 -2.685 232 HA ASP 32 HA ASP 32 2.173 -11.710 -0.888 233 1HB ASP 32 2HB ASP 32 2.756 -12.835 -3.645 234 2HB ASP 32 1HB ASP 32 3.899 -11.905 -2.677 235 H VAL 33 HN VAL 33 1.064 -9.730 -0.887 236 HA VAL 33 HA VAL 33 0.423 -8.449 -3.469 237 HB VAL 33 HB VAL 33 -0.600 -6.685 -2.088 238 1HG1 VAL 33 1HG1 VAL 33 -1.420 -9.376 -2.235 239 2HG1 VAL 33 3HG1 VAL 33 -1.687 -8.909 -0.554 240 3HG1 VAL 33 2HG1 VAL 33 -2.431 -7.984 -1.858 241 1HG2 VAL 33 3HG2 VAL 33 1.073 -7.949 -0.018 242 2HG2 VAL 33 2HG2 VAL 33 0.433 -6.309 -0.099 243 3HG2 VAL 33 1HG2 VAL 33 -0.576 -7.619 0.512 244 H ASN 34 HN ASN 34 1.646 -6.832 -4.379 245 HA ASN 34 HA ASN 34 3.914 -5.739 -2.769 246 1HB ASN 34 2HB ASN 34 4.064 -6.595 -5.672 247 2HB ASN 34 1HB ASN 34 5.388 -5.956 -4.696 248 1HD2 ASN 34 2HD2 ASN 34 4.331 -9.872 -4.347 249 2HD2 ASN 34 1HD2 ASN 34 3.456 -8.821 -5.354 250 H LEU 35 HN LEU 35 4.266 -3.569 -3.029 251 HA LEU 35 HA LEU 35 2.307 -2.054 -4.642 252 1HB LEU 35 2HB LEU 35 3.079 -1.520 -2.210 253 2HB LEU 35 1HB LEU 35 4.523 -0.860 -2.976 254 HG LEU 35 HG LEU 35 2.084 0.057 -4.306 255 1HD1 LEU 35 1HD1 LEU 35 2.240 0.173 -1.346 256 2HD1 LEU 35 3HD1 LEU 35 1.834 1.691 -2.148 257 3HD1 LEU 35 2HD1 LEU 35 0.833 0.261 -2.405 258 1HD2 LEU 35 1HD2 LEU 35 4.553 0.938 -4.287 259 2HD2 LEU 35 3HD2 LEU 35 3.232 2.106 -4.322 260 3HD2 LEU 35 2HD2 LEU 35 4.065 1.761 -2.806 261 H GLU 36 HN GLU 36 3.055 -0.406 -6.192 262 HA GLU 36 HA GLU 36 5.838 -0.846 -7.184 263 1HB GLU 36 2HB GLU 36 4.077 -2.131 -8.509 264 2HB GLU 36 1HB GLU 36 3.452 -0.564 -9.019 265 1HG GLU 36 2HG GLU 36 6.301 -0.545 -9.377 266 2HG GLU 36 1HG GLU 36 5.664 -2.019 -10.104 267 H TYR 37 HN TYR 37 6.899 1.031 -7.548 268 HA TYR 37 HA TYR 37 5.293 3.550 -7.629 269 1HB TYR 37 2HB TYR 37 7.222 3.020 -5.868 270 2HB TYR 37 1HB TYR 37 8.259 3.540 -7.189 271 HD1 TYR 37 1HD TYR 37 6.057 5.566 -8.310 272 HD2 TYR 37 2HD TYR 37 7.841 4.906 -4.452 273 HE1 TYR 37 1HE TYR 37 5.632 7.930 -7.708 274 HE2 TYR 37 2HE TYR 37 7.409 7.273 -3.856 275 HH TYR 37 HH TYR 37 7.092 9.469 -5.166 276 H ASN 38 HN ASN 38 5.172 2.434 -10.005 277 HA ASN 38 HA ASN 38 5.708 2.665 -12.276 278 1HB ASN 38 2HB ASN 38 6.745 5.200 -11.034 279 2HB ASN 38 1HB ASN 38 7.014 4.882 -12.748 280 1HD2 ASN 38 1HD2 ASN 38 5.230 6.960 -11.556 281 2HD2 ASN 38 2HD2 ASN 38 3.672 6.623 -12.142 282 H GLY 39 HN GLY 39 7.709 1.353 -10.343 283 1HA GLY 39 2HA GLY 39 9.590 0.325 -12.004 284 2HA GLY 39 1HA GLY 39 10.291 1.895 -11.615 285 H LYS 40 HN LYS 40 9.433 2.109 -8.925 286 HA LYS 40 HA LYS 40 11.312 0.199 -7.671 287 1HB LYS 40 2HB LYS 40 9.786 2.505 -6.423 288 2HB LYS 40 1HB LYS 40 11.142 1.635 -5.707 289 1HG LYS 40 2HG LYS 40 11.367 3.068 -8.360 290 2HG LYS 40 1HG LYS 40 11.707 3.868 -6.824 291 1HD LYS 40 2HD LYS 40 13.596 2.591 -6.416 292 2HD LYS 40 1HD LYS 40 13.006 1.226 -7.364 293 1HE LYS 40 2HE LYS 40 14.602 2.054 -8.822 294 2HE LYS 40 1HE LYS 40 13.198 2.977 -9.357 295 1HZ LYS 40 2HZ LYS 40 13.946 4.661 -7.605 296 2HZ LYS 40 1HZ LYS 40 15.438 3.851 -7.650 297 3HZ LYS 40 3HZ LYS 40 14.827 4.576 -9.056 298 H THR 41 HN THR 41 10.020 -1.733 -7.786 299 HA THR 41 HA THR 41 7.420 -1.725 -6.379 300 HB THR 41 HB THR 41 8.856 -4.065 -7.657 301 HG1 THR 41 HG1 THR 41 8.403 -3.077 -9.439 302 1HG2 THR 41 2HG2 THR 41 6.795 -4.191 -5.967 303 2HG2 THR 41 1HG2 THR 41 5.891 -3.791 -7.428 304 3HG2 THR 41 3HG2 THR 41 6.891 -5.243 -7.380 305 H VAL 42 HN VAL 42 7.505 -1.888 -4.213 306 HA VAL 42 HA VAL 42 9.596 -3.651 -2.999 307 HB VAL 42 HB VAL 42 8.891 -2.345 -0.847 308 1HG1 VAL 42 3HG1 VAL 42 10.985 -2.125 -2.558 309 2HG1 VAL 42 2HG1 VAL 42 10.332 -0.488 -2.646 310 3HG1 VAL 42 1HG1 VAL 42 10.815 -1.163 -1.089 311 1HG2 VAL 42 2HG2 VAL 42 6.947 -1.200 -1.883 312 2HG2 VAL 42 1HG2 VAL 42 8.131 -0.042 -1.276 313 3HG2 VAL 42 3HG2 VAL 42 8.036 -0.384 -3.005 314 H ASN 43 HN ASN 43 8.910 -5.153 -1.403 315 HA ASN 43 HA ASN 43 6.298 -6.279 -1.786 316 1HB ASN 43 2HB ASN 43 8.510 -7.350 -0.846 317 2HB ASN 43 1HB ASN 43 7.906 -6.770 0.708 318 1HD2 ASN 43 2HD2 ASN 43 6.451 -10.190 -0.632 319 2HD2 ASN 43 1HD2 ASN 43 7.948 -9.520 -1.067 320 H LEU 44 HN LEU 44 4.404 -5.978 -0.611 321 HA LEU 44 HA LEU 44 3.926 -3.553 0.752 322 1HB LEU 44 2HB LEU 44 2.247 -5.276 -0.209 323 2HB LEU 44 1HB LEU 44 2.402 -6.102 1.337 324 HG LEU 44 HG LEU 44 0.440 -4.539 1.207 325 1HD1 LEU 44 3HD1 LEU 44 2.091 -5.048 3.306 326 2HD1 LEU 44 2HD1 LEU 44 2.137 -3.286 3.275 327 3HD1 LEU 44 1HD1 LEU 44 0.594 -4.125 3.429 328 1HD2 LEU 44 3HD2 LEU 44 1.712 -2.804 -0.174 329 2HD2 LEU 44 2HD2 LEU 44 0.737 -2.165 1.153 330 3HD2 LEU 44 1HD2 LEU 44 2.486 -2.310 1.333 331 H LYS 45 HN LYS 45 5.167 -6.607 1.941 332 HA LYS 45 HA LYS 45 5.008 -5.705 4.754 333 1HB LYS 45 2HB LYS 45 6.199 -8.240 3.579 334 2HB LYS 45 1HB LYS 45 5.908 -7.923 5.290 335 1HG LYS 45 2HG LYS 45 3.660 -8.289 5.115 336 2HG LYS 45 1HG LYS 45 3.564 -7.565 3.510 337 1HD LYS 45 2HD LYS 45 5.034 -9.758 2.924 338 2HD LYS 45 1HD LYS 45 4.104 -10.382 4.287 339 1HE LYS 45 2HE LYS 45 2.101 -9.186 2.981 340 2HE LYS 45 1HE LYS 45 3.159 -9.480 1.602 341 1HZ LYS 45 2HZ LYS 45 3.333 -11.834 2.591 342 2HZ LYS 45 1HZ LYS 45 1.911 -11.427 3.425 343 3HZ LYS 45 3HZ LYS 45 1.931 -11.411 1.730 344 H SER 46 HN SER 46 6.464 -3.847 3.730 345 HA SER 46 HA SER 46 9.226 -4.431 4.594 346 1HB SER 46 2HB SER 46 8.819 -4.708 1.966 347 2HB SER 46 1HB SER 46 8.966 -2.953 2.001 348 HG SER 46 HG SER 46 10.824 -4.924 2.819 349 H ILE 47 HN ILE 47 8.658 -2.990 6.319 350 HA ILE 47 HA ILE 47 7.634 -0.334 5.843 351 HB ILE 47 HB ILE 47 9.173 -1.334 8.252 352 1HG1 ILE 47 2HG1 ILE 47 6.206 -1.439 7.589 353 2HG1 ILE 47 1HG1 ILE 47 7.283 -2.823 7.745 354 1HG2 ILE 47 1HG2 ILE 47 8.762 1.172 7.917 355 2HG2 ILE 47 3HG2 ILE 47 7.042 0.811 8.068 356 3HG2 ILE 47 2HG2 ILE 47 8.133 0.485 9.414 357 1HD1 ILE 47 1HD1 ILE 47 7.746 -1.729 10.136 358 2HD1 ILE 47 3HD1 ILE 47 6.131 -1.075 9.872 359 3HD1 ILE 47 2HD1 ILE 47 6.386 -2.820 9.871 360 H MET 48 HN MET 48 10.893 -1.667 6.305 361 HA MET 48 HA MET 48 12.206 0.920 6.245 362 1HB MET 48 2HB MET 48 13.191 -1.133 7.293 363 2HB MET 48 1HB MET 48 13.373 -1.822 5.680 364 1HG MET 48 2HG MET 48 15.482 -0.846 6.159 365 2HG MET 48 1HG MET 48 14.680 0.312 5.098 366 1HE MET 48 2HE MET 48 16.898 0.026 7.762 367 2HE MET 48 1HE MET 48 17.081 1.374 6.643 368 3HE MET 48 3HE MET 48 16.899 1.677 8.376 369 H GLY 49 HN GLY 49 11.203 -1.430 3.840 370 1HA GLY 49 2HA GLY 49 12.827 -0.354 1.686 371 2HA GLY 49 1HA GLY 49 11.473 -1.468 1.499 372 H VAL 50 HN VAL 50 9.596 0.281 2.948 373 HA VAL 50 HA VAL 50 8.799 1.948 0.690 374 HB VAL 50 HB VAL 50 7.618 1.821 3.483 375 1HG1 VAL 50 3HG1 VAL 50 6.822 3.083 0.888 376 2HG1 VAL 50 2HG1 VAL 50 5.550 2.413 1.911 377 3HG1 VAL 50 1HG1 VAL 50 6.610 3.677 2.535 378 1HG2 VAL 50 2HG2 VAL 50 7.817 -0.305 1.811 379 2HG2 VAL 50 1HG2 VAL 50 6.437 -0.050 2.878 380 3HG2 VAL 50 3HG2 VAL 50 6.342 0.430 1.184 381 H VAL 51 HN VAL 51 10.272 2.458 3.855 382 HA VAL 51 HA VAL 51 10.020 5.334 3.860 383 HB VAL 51 HB VAL 51 12.103 3.623 5.258 384 1HG1 VAL 51 2HG1 VAL 51 12.251 6.247 5.054 385 2HG1 VAL 51 1HG1 VAL 51 10.972 6.217 6.269 386 3HG1 VAL 51 3HG1 VAL 51 12.534 5.473 6.614 387 1HG2 VAL 51 2HG2 VAL 51 9.409 3.333 5.553 388 2HG2 VAL 51 1HG2 VAL 51 10.563 3.081 6.862 389 3HG2 VAL 51 3HG2 VAL 51 9.717 4.623 6.716 390 H SER 52 HN SER 52 12.416 3.067 2.600 391 HA SER 52 HA SER 52 14.483 4.958 2.022 392 1HB SER 52 2HB SER 52 15.290 3.254 0.414 393 2HB SER 52 1HB SER 52 14.861 2.526 1.960 394 HG SER 52 HG SER 52 13.473 1.370 0.905 395 H LEU 53 HN LEU 53 11.581 3.985 0.265 396 HA LEU 53 HA LEU 53 12.255 5.393 -2.179 397 1HB LEU 53 2HB LEU 53 9.524 4.566 -1.145 398 2HB LEU 53 1HB LEU 53 9.934 4.975 -2.811 399 HG LEU 53 HG LEU 53 11.450 2.794 -1.407 400 1HD1 LEU 53 1HD1 LEU 53 8.783 2.608 -1.370 401 2HD1 LEU 53 3HD1 LEU 53 9.047 2.088 -3.034 402 3HD1 LEU 53 2HD1 LEU 53 9.801 1.208 -1.704 403 1HD2 LEU 53 3HD2 LEU 53 12.013 3.809 -3.708 404 2HD2 LEU 53 2HD2 LEU 53 11.885 2.053 -3.623 405 3HD2 LEU 53 1HD2 LEU 53 10.555 3.002 -4.286 406 H GLY 54 HN GLY 54 10.384 6.176 0.733 407 1HA GLY 54 2HA GLY 54 9.676 8.251 1.570 408 2HA GLY 54 1HA GLY 54 10.855 8.994 0.487 409 H ILE 55 HN ILE 55 7.611 7.495 0.458 410 HA ILE 55 HA ILE 55 6.943 8.796 -2.087 411 HB ILE 55 HB ILE 55 5.012 7.429 -0.189 412 1HG1 ILE 55 2HG1 ILE 55 6.691 6.155 -2.382 413 2HG1 ILE 55 1HG1 ILE 55 6.987 5.959 -0.657 414 1HG2 ILE 55 2HG2 ILE 55 4.218 8.795 -2.196 415 2HG2 ILE 55 1HG2 ILE 55 5.005 7.585 -3.211 416 3HG2 ILE 55 3HG2 ILE 55 3.678 7.116 -2.148 417 1HD1 ILE 55 1HD1 ILE 55 4.267 5.358 -0.978 418 2HD1 ILE 55 3HD1 ILE 55 5.062 4.595 -2.354 419 3HD1 ILE 55 2HD1 ILE 55 5.572 4.205 -0.712 420 H ALA 56 HN ALA 56 5.353 10.455 -2.321 421 HA ALA 56 HA ALA 56 4.616 11.896 0.185 422 1HB ALA 56 1HB ALA 56 6.670 12.741 -1.396 423 2HB ALA 56 3HB ALA 56 5.315 13.594 -2.135 424 3HB ALA 56 2HB ALA 56 5.671 13.822 -0.422 425 H LYS 57 HN LYS 57 2.958 13.689 -0.397 426 HA LYS 57 HA LYS 57 0.643 12.537 -1.498 427 1HB LYS 57 2HB LYS 57 -0.382 14.685 -1.336 428 2HB LYS 57 1HB LYS 57 0.797 14.620 -0.034 429 1HG LYS 57 2HG LYS 57 1.315 15.925 -2.729 430 2HG LYS 57 1HG LYS 57 0.803 16.797 -1.288 431 1HD LYS 57 2HD LYS 57 2.835 15.822 -0.113 432 2HD LYS 57 1HD LYS 57 3.382 15.273 -1.698 433 1HE LYS 57 2HE LYS 57 4.389 17.446 -1.172 434 2HE LYS 57 1HE LYS 57 3.274 17.609 -2.527 435 1HZ LYS 57 3HZ LYS 57 2.304 18.032 0.215 436 2HZ LYS 57 2HZ LYS 57 3.162 19.272 -0.569 437 3HZ LYS 57 1HZ LYS 57 1.719 18.676 -1.241 438 H GLY 58 HN GLY 58 -0.534 13.099 -3.499 439 1HA GLY 58 2HA GLY 58 -0.664 13.303 -5.834 440 2HA GLY 58 1HA GLY 58 0.714 14.401 -5.724 441 H ALA 59 HN ALA 59 0.563 10.994 -4.732 442 HA ALA 59 HA ALA 59 2.613 10.395 -6.831 443 1HB ALA 59 3HB ALA 59 3.523 10.474 -4.478 444 2HB ALA 59 2HB ALA 59 2.451 9.131 -4.080 445 3HB ALA 59 1HB ALA 59 3.729 8.915 -5.277 446 H GLU 60 HN GLU 60 1.858 8.920 -8.256 447 HA GLU 60 HA GLU 60 -0.538 7.334 -7.617 448 1HB GLU 60 2HB GLU 60 1.182 7.379 -10.119 449 2HB GLU 60 1HB GLU 60 -0.401 6.616 -9.966 450 1HG GLU 60 2HG GLU 60 -1.521 8.609 -10.043 451 2HG GLU 60 1HG GLU 60 -0.255 9.473 -9.169 452 H ILE 61 HN ILE 61 -0.513 5.203 -7.038 453 HA ILE 61 HA ILE 61 2.072 3.717 -7.287 454 HB ILE 61 HB ILE 61 1.439 2.583 -5.118 455 1HG1 ILE 61 2HG1 ILE 61 -0.565 4.865 -4.997 456 2HG1 ILE 61 1HG1 ILE 61 -0.975 3.162 -5.197 457 1HG2 ILE 61 2HG2 ILE 61 1.841 5.592 -5.063 458 2HG2 ILE 61 1HG2 ILE 61 2.155 4.501 -3.714 459 3HG2 ILE 61 3HG2 ILE 61 3.116 4.378 -5.187 460 1HD1 ILE 61 1HD1 ILE 61 0.617 3.049 -2.980 461 2HD1 ILE 61 3HD1 ILE 61 -0.143 4.627 -2.765 462 3HD1 ILE 61 2HD1 ILE 61 -1.140 3.181 -2.924 463 H THR 62 HN THR 62 1.733 1.311 -7.265 464 HA THR 62 HA THR 62 -0.987 0.479 -8.141 465 HB THR 62 HB THR 62 1.418 -0.516 -9.645 466 HG1 THR 62 HG1 THR 62 1.612 1.299 -10.664 467 1HG2 THR 62 1HG2 THR 62 -1.544 -0.426 -9.957 468 2HG2 THR 62 3HG2 THR 62 -0.575 -0.325 -11.426 469 3HG2 THR 62 2HG2 THR 62 -0.409 -1.716 -10.356 470 H ILE 63 HN ILE 63 -1.483 -1.063 -6.665 471 HA ILE 63 HA ILE 63 0.643 -2.805 -5.566 472 HB ILE 63 HB ILE 63 -2.303 -2.519 -4.879 473 1HG1 ILE 63 2HG1 ILE 63 0.184 -1.673 -3.360 474 2HG1 ILE 63 1HG1 ILE 63 -0.809 -0.582 -4.327 475 1HG2 ILE 63 2HG2 ILE 63 -0.110 -4.261 -3.742 476 2HG2 ILE 63 1HG2 ILE 63 -1.512 -3.793 -2.778 477 3HG2 ILE 63 3HG2 ILE 63 -1.732 -4.734 -4.255 478 1HD1 ILE 63 3HD1 ILE 63 -2.766 -1.597 -2.847 479 2HD1 ILE 63 2HD1 ILE 63 -1.442 -1.917 -1.726 480 3HD1 ILE 63 1HD1 ILE 63 -1.776 -0.266 -2.249 481 H SER 64 HN SER 64 0.205 -5.188 -5.485 482 HA SER 64 HA SER 64 -1.632 -6.226 -7.549 483 1HB SER 64 2HB SER 64 0.382 -7.631 -8.427 484 2HB SER 64 1HB SER 64 0.202 -5.971 -8.987 485 HG SER 64 HG SER 64 1.755 -5.333 -7.538 486 H ALA 65 HN ALA 65 -2.726 -7.548 -6.143 487 HA ALA 65 HA ALA 65 -1.231 -9.209 -4.206 488 1HB ALA 65 2HB ALA 65 -3.433 -8.044 -3.661 489 2HB ALA 65 1HB ALA 65 -4.214 -9.207 -4.731 490 3HB ALA 65 3HB ALA 65 -3.374 -9.766 -3.285 491 H SER 66 HN SER 66 -0.534 -11.210 -4.800 492 HA SER 66 HA SER 66 -2.107 -12.701 -6.856 493 1HB SER 66 2HB SER 66 0.553 -11.678 -7.119 494 2HB SER 66 1HB SER 66 0.647 -13.435 -7.069 495 HG SER 66 HG SER 66 0.168 -12.219 -9.162 496 H GLY 67 HN GLY 67 -2.933 -14.397 -5.722 497 1HA GLY 67 2HA GLY 67 -1.340 -16.499 -4.710 498 2HA GLY 67 1HA GLY 67 -1.775 -15.484 -3.334 499 H ALA 68 HN ALA 68 -3.128 -17.107 -2.423 500 HA ALA 68 HA ALA 68 -5.306 -18.301 -3.939 501 1HB ALA 68 3HB ALA 68 -4.442 -18.291 -1.064 502 2HB ALA 68 2HB ALA 68 -6.068 -18.844 -1.470 503 3HB ALA 68 1HB ALA 68 -4.662 -19.658 -2.156 504 H ASP 69 HN ASP 69 -5.412 -16.182 -1.055 505 HA ASP 69 HA ASP 69 -8.032 -15.146 -2.009 506 1HB ASP 69 2HB ASP 69 -8.171 -14.181 0.308 507 2HB ASP 69 1HB ASP 69 -8.031 -15.937 0.285 508 H GLU 70 HN GLU 70 -5.926 -14.230 -3.521 509 HA GLU 70 HA GLU 70 -4.626 -11.865 -2.647 510 1HB GLU 70 2HB GLU 70 -4.422 -11.321 -5.063 511 2HB GLU 70 1HB GLU 70 -3.988 -12.995 -4.718 512 1HG GLU 70 2HG GLU 70 -6.551 -13.431 -5.220 513 2HG GLU 70 1HG GLU 70 -6.414 -11.915 -6.108 514 H ASN 71 HN ASN 71 -7.817 -12.291 -4.174 515 HA ASN 71 HA ASN 71 -8.437 -9.520 -4.461 516 1HB ASN 71 2HB ASN 71 -10.071 -12.031 -4.258 517 2HB ASN 71 1HB ASN 71 -10.877 -10.462 -4.225 518 1HD2 ASN 71 2HD2 ASN 71 -9.293 -11.845 -7.711 519 2HD2 ASN 71 1HD2 ASN 71 -9.108 -12.715 -6.265 520 H ASP 72 HN ASP 72 -8.606 -11.688 -1.704 521 HA ASP 72 HA ASP 72 -10.228 -9.919 -0.069 522 1HB ASP 72 2HB ASP 72 -8.436 -12.250 0.658 523 2HB ASP 72 1HB ASP 72 -9.495 -11.419 1.796 524 H ALA 73 HN ALA 73 -6.820 -10.197 -0.785 525 HA ALA 73 HA ALA 73 -5.964 -8.638 1.531 526 1HB ALA 73 2HB ALA 73 -4.541 -9.547 -0.979 527 2HB ALA 73 1HB ALA 73 -3.755 -8.630 0.306 528 3HB ALA 73 3HB ALA 73 -4.405 -10.235 0.640 529 H LEU 74 HN LEU 74 -6.494 -7.963 -1.944 530 HA LEU 74 HA LEU 74 -5.449 -5.300 -1.843 531 1HB LEU 74 2HB LEU 74 -6.504 -4.946 -3.996 532 2HB LEU 74 1HB LEU 74 -5.825 -6.567 -3.956 533 HG LEU 74 HG LEU 74 -8.248 -7.223 -3.127 534 1HD1 LEU 74 3HD1 LEU 74 -8.592 -4.472 -3.563 535 2HD1 LEU 74 2HD1 LEU 74 -9.318 -5.232 -4.978 536 3HD1 LEU 74 1HD1 LEU 74 -9.873 -5.665 -3.361 537 1HD2 LEU 74 1HD2 LEU 74 -7.037 -7.879 -5.256 538 2HD2 LEU 74 3HD2 LEU 74 -8.792 -7.791 -5.400 539 3HD2 LEU 74 2HD2 LEU 74 -7.791 -6.482 -6.025 540 H ASN 75 HN ASN 75 -8.774 -6.529 -1.389 541 HA ASN 75 HA ASN 75 -9.873 -3.866 -1.051 542 1HB ASN 75 2HB ASN 75 -11.911 -4.987 -0.295 543 2HB ASN 75 1HB ASN 75 -11.280 -5.808 -1.719 544 1HD2 ASN 75 2HD2 ASN 75 -11.923 -7.998 1.508 545 2HD2 ASN 75 1HD2 ASN 75 -12.676 -6.517 1.162 546 H ALA 76 HN ALA 76 -8.350 -6.201 1.071 547 HA ALA 76 HA ALA 76 -9.229 -5.182 3.587 548 1HB ALA 76 2HB ALA 76 -7.685 -7.261 2.889 549 2HB ALA 76 1HB ALA 76 -6.410 -6.120 3.315 550 3HB ALA 76 3HB ALA 76 -7.630 -6.565 4.507 551 H LEU 77 HN LEU 77 -6.050 -4.569 2.034 552 HA LEU 77 HA LEU 77 -5.375 -2.362 3.702 553 1HB LEU 77 2HB LEU 77 -4.484 -2.779 0.838 554 2HB LEU 77 1HB LEU 77 -3.635 -1.880 2.095 555 HG LEU 77 HG LEU 77 -4.158 -4.503 3.122 556 1HD1 LEU 77 1HD1 LEU 77 -4.156 -4.725 0.409 557 2HD1 LEU 77 3HD1 LEU 77 -2.433 -4.894 0.748 558 3HD1 LEU 77 2HD1 LEU 77 -3.593 -5.992 1.497 559 1HD2 LEU 77 1HD2 LEU 77 -2.276 -2.945 3.684 560 2HD2 LEU 77 3HD2 LEU 77 -1.733 -4.581 3.312 561 3HD2 LEU 77 2HD2 LEU 77 -1.562 -3.300 2.112 562 H GLU 78 HN GLU 78 -7.431 -2.573 0.877 563 HA GLU 78 HA GLU 78 -7.402 0.153 0.061 564 1HB GLU 78 2HB GLU 78 -8.464 -1.681 -1.235 565 2HB GLU 78 1HB GLU 78 -9.730 -1.790 -0.016 566 1HG GLU 78 2HG GLU 78 -9.311 0.946 -1.012 567 2HG GLU 78 1HG GLU 78 -9.824 -0.184 -2.264 568 H GLU 79 HN GLU 79 -9.734 -1.473 2.282 569 HA GLU 79 HA GLU 79 -11.079 0.941 3.001 570 1HB GLU 79 2HB GLU 79 -12.051 -0.304 4.836 571 2HB GLU 79 1HB GLU 79 -11.958 -1.371 3.440 572 1HG GLU 79 2HG GLU 79 -9.505 -1.702 4.782 573 2HG GLU 79 1HG GLU 79 -10.718 -1.653 6.055 574 H THR 80 HN THR 80 -8.080 -0.478 4.119 575 HA THR 80 HA THR 80 -7.813 1.029 6.554 576 HB THR 80 HB THR 80 -5.444 0.254 4.871 577 HG1 THR 80 HG1 THR 80 -5.721 -1.871 5.621 578 1HG2 THR 80 1HG2 THR 80 -6.134 0.564 7.762 579 2HG2 THR 80 3HG2 THR 80 -4.888 -0.604 7.323 580 3HG2 THR 80 2HG2 THR 80 -4.696 1.095 6.890 581 H MET 81 HN MET 81 -7.018 1.684 3.178 582 HA MET 81 HA MET 81 -5.574 4.139 3.683 583 1HB MET 81 2HB MET 81 -6.657 2.701 1.318 584 2HB MET 81 1HB MET 81 -6.445 4.440 1.136 585 1HG MET 81 2HG MET 81 -4.117 3.405 2.455 586 2HG MET 81 1HG MET 81 -4.443 2.385 1.055 587 1HE MET 81 1HE MET 81 -2.764 2.591 -0.043 588 2HE MET 81 3HE MET 81 -2.734 3.681 -1.438 589 3HE MET 81 2HE MET 81 -1.675 3.977 -0.061 590 H LYS 82 HN LYS 82 -8.956 3.301 3.289 591 HA LYS 82 HA LYS 82 -9.832 6.065 2.908 592 1HB LYS 82 2HB LYS 82 -11.269 3.455 3.414 593 2HB LYS 82 1HB LYS 82 -12.125 4.996 3.348 594 1HG LYS 82 2HG LYS 82 -11.797 5.241 1.091 595 2HG LYS 82 1HG LYS 82 -10.228 4.437 1.126 596 1HD LYS 82 2HD LYS 82 -11.132 2.358 0.825 597 2HD LYS 82 1HD LYS 82 -12.562 2.729 1.790 598 1HE LYS 82 2HE LYS 82 -13.411 2.550 -0.403 599 2HE LYS 82 1HE LYS 82 -13.224 4.289 -0.174 600 1HZ LYS 82 3HZ LYS 82 -10.986 4.051 -1.211 601 2HZ LYS 82 2HZ LYS 82 -11.393 2.449 -1.608 602 3HZ LYS 82 1HZ LYS 82 -12.283 3.742 -2.261 603 H SER 83 HN SER 83 -9.261 3.931 5.619 604 HA SER 83 HA SER 83 -10.829 5.532 7.503 605 1HB SER 83 2HB SER 83 -9.491 4.047 9.178 606 2HB SER 83 1HB SER 83 -10.691 3.278 8.143 607 HG SER 83 HG SER 83 -8.224 2.599 8.336 608 H GLU 84 HN GLU 84 -7.330 4.751 7.366 609 HA GLU 84 HA GLU 84 -6.534 6.849 9.125 610 1HB GLU 84 2HB GLU 84 -4.931 5.556 6.897 611 2HB GLU 84 1HB GLU 84 -4.268 6.462 8.256 612 1HG GLU 84 2HG GLU 84 -6.106 4.218 8.922 613 2HG GLU 84 1HG GLU 84 -4.515 3.780 8.298 614 H GLY 85 HN GLY 85 -7.199 6.818 5.679 615 1HA GLY 85 2HA GLY 85 -7.716 8.755 4.376 616 2HA GLY 85 1HA GLY 85 -7.032 9.767 5.651 617 H LEU 86 HN LEU 86 -5.518 6.975 4.068 618 HA LEU 86 HA LEU 86 -3.104 8.552 3.556 619 1HB LEU 86 2HB LEU 86 -3.823 5.688 2.873 620 2HB LEU 86 1HB LEU 86 -2.232 6.410 2.634 621 HG LEU 86 HG LEU 86 -3.655 6.253 5.306 622 1HD1 LEU 86 2HD1 LEU 86 -2.784 4.078 4.113 623 2HD1 LEU 86 1HD1 LEU 86 -1.197 4.696 4.574 624 3HD1 LEU 86 3HD1 LEU 86 -2.403 4.354 5.813 625 1HD2 LEU 86 2HD2 LEU 86 -0.878 7.121 4.451 626 2HD2 LEU 86 1HD2 LEU 86 -2.109 8.110 5.236 627 3HD2 LEU 86 3HD2 LEU 86 -1.324 6.808 6.128 628 H GLY 87 HN GLY 87 -5.782 7.198 1.688 629 1HA GLY 87 2HA GLY 87 -5.710 9.053 -0.401 630 2HA GLY 87 1HA GLY 87 -4.635 7.750 -0.910 631 H GLU 88 HN GLU 88 -6.635 7.908 -2.563 632 HA GLU 88 HA GLU 88 -8.440 5.669 -1.793 633 1HB GLU 88 2HB GLU 88 -10.336 6.873 -2.910 634 2HB GLU 88 1HB GLU 88 -9.773 7.674 -1.443 635 1HG GLU 88 2HG GLU 88 -8.495 8.461 -4.024 636 2HG GLU 88 1HG GLU 88 -10.136 9.029 -3.716 No H/Q in entry = 636 Start of MODEL 14 1 1H ALA 2 3HT ALA 2 -6.388 -8.649 -10.624 2 2H ALA 2 2HT ALA 2 -5.419 -9.871 -9.951 3 3H ALA 2 1HT ALA 2 -7.055 -10.173 -10.296 4 HA ALA 2 HA ALA 2 -7.796 -8.741 -8.587 5 1HB ALA 2 1HB ALA 2 -5.573 -10.632 -7.850 6 2HB ALA 2 3HB ALA 2 -6.422 -9.716 -6.604 7 3HB ALA 2 2HB ALA 2 -7.312 -10.833 -7.638 8 H GLN 3 HN GLN 3 -4.706 -7.933 -9.779 9 HA GLN 3 HA GLN 3 -3.633 -6.383 -7.648 10 1HB GLN 3 2HB GLN 3 -2.495 -5.087 -9.513 11 2HB GLN 3 1HB GLN 3 -2.231 -6.827 -9.542 12 1HG GLN 3 2HG GLN 3 -4.631 -6.189 -11.025 13 2HG GLN 3 1HG GLN 3 -3.293 -5.208 -11.615 14 1HE2 GLN 3 2HE2 GLN 3 -3.378 -8.689 -13.218 15 2HE2 GLN 3 1HE2 GLN 3 -4.631 -7.581 -12.925 16 H LYS 4 HN LYS 4 -3.784 -4.124 -7.217 17 HA LYS 4 HA LYS 4 -6.078 -2.713 -8.514 18 1HB LYS 4 2HB LYS 4 -6.767 -3.687 -6.307 19 2HB LYS 4 1HB LYS 4 -5.509 -2.722 -5.535 20 1HG LYS 4 2HG LYS 4 -6.610 -0.716 -5.937 21 2HG LYS 4 1HG LYS 4 -7.480 -1.353 -7.332 22 1HD LYS 4 2HD LYS 4 -8.079 -2.688 -4.755 23 2HD LYS 4 1HD LYS 4 -8.614 -1.012 -4.877 24 1HE LYS 4 2HE LYS 4 -9.159 -2.718 -7.244 25 2HE LYS 4 1HE LYS 4 -10.083 -3.095 -5.790 26 1HZ LYS 4 3HZ LYS 4 -10.707 -0.742 -5.658 27 2HZ LYS 4 2HZ LYS 4 -9.886 -0.446 -7.115 28 3HZ LYS 4 1HZ LYS 4 -11.245 -1.465 -7.095 29 H THR 5 HN THR 5 -5.962 -0.323 -8.145 30 HA THR 5 HA THR 5 -3.141 0.592 -7.729 31 HB THR 5 HB THR 5 -5.159 1.802 -9.642 32 HG1 THR 5 HG1 THR 5 -2.973 0.054 -10.092 33 1HG2 THR 5 1HG2 THR 5 -3.366 3.293 -8.722 34 2HG2 THR 5 3HG2 THR 5 -2.165 2.192 -9.398 35 3HG2 THR 5 2HG2 THR 5 -3.262 3.066 -10.467 36 H PHE 6 HN PHE 6 -2.906 2.281 -6.303 37 HA PHE 6 HA PHE 6 -5.412 3.586 -5.313 38 1HB PHE 6 2HB PHE 6 -2.885 2.845 -3.810 39 2HB PHE 6 1HB PHE 6 -4.172 3.847 -3.139 40 HD1 PHE 6 1HD PHE 6 -3.480 0.494 -4.630 41 HD2 PHE 6 2HD PHE 6 -6.108 2.873 -2.205 42 HE1 PHE 6 1HE PHE 6 -4.738 -1.547 -3.994 43 HE2 PHE 6 2HE PHE 6 -7.367 0.831 -1.570 44 HZ PHE 6 HZ PHE 6 -6.683 -1.377 -2.464 45 H LYS 7 HN LYS 7 -5.065 5.816 -4.485 46 HA LYS 7 HA LYS 7 -2.793 7.177 -5.886 47 1HB LYS 7 2HB LYS 7 -5.652 8.101 -5.471 48 2HB LYS 7 1HB LYS 7 -4.356 9.171 -6.004 49 1HG LYS 7 2HG LYS 7 -5.160 6.614 -7.423 50 2HG LYS 7 1HG LYS 7 -5.676 8.231 -7.907 51 1HD LYS 7 2HD LYS 7 -3.013 8.650 -7.760 52 2HD LYS 7 1HD LYS 7 -3.012 6.935 -8.172 53 1HE LYS 7 2HE LYS 7 -4.932 7.983 -9.882 54 2HE LYS 7 1HE LYS 7 -3.703 9.246 -9.837 55 1HZ LYS 7 1HZ LYS 7 -2.041 7.449 -10.247 56 2HZ LYS 7 3HZ LYS 7 -3.333 6.392 -10.540 57 3HZ LYS 7 2HZ LYS 7 -3.101 7.747 -11.539 58 H VAL 8 HN VAL 8 -1.429 8.163 -4.497 59 HA VAL 8 HA VAL 8 -2.152 8.422 -1.662 60 HB VAL 8 HB VAL 8 0.398 9.427 -2.940 61 1HG1 VAL 8 3HG1 VAL 8 -0.381 9.786 -0.454 62 2HG1 VAL 8 2HG1 VAL 8 0.098 8.099 -0.264 63 3HG1 VAL 8 1HG1 VAL 8 1.283 9.299 -0.784 64 1HG2 VAL 8 2HG2 VAL 8 -0.297 6.595 -2.087 65 2HG2 VAL 8 1HG2 VAL 8 0.129 7.126 -3.714 66 3HG2 VAL 8 3HG2 VAL 8 1.340 7.155 -2.432 67 H THR 9 HN THR 9 -3.134 10.217 -0.886 68 HA THR 9 HA THR 9 -2.506 12.840 -2.171 69 HB THR 9 HB THR 9 -5.252 12.279 -1.091 70 HG1 THR 9 HG1 THR 9 -5.852 11.501 -3.082 71 1HG2 THR 9 3HG2 THR 9 -4.178 14.557 -1.918 72 2HG2 THR 9 2HG2 THR 9 -4.585 13.913 -3.508 73 3HG2 THR 9 1HG2 THR 9 -5.851 14.159 -2.306 74 H ALA 10 HN ALA 10 -1.857 11.270 0.491 75 HA ALA 10 HA ALA 10 -2.993 12.980 2.551 76 1HB ALA 10 2HB ALA 10 -2.337 10.632 3.007 77 2HB ALA 10 1HB ALA 10 -0.655 11.054 2.691 78 3HB ALA 10 3HB ALA 10 -1.498 11.760 4.069 79 H ASP 11 HN ASP 11 -1.933 14.664 3.649 80 HA ASP 11 HA ASP 11 -0.068 16.241 2.166 81 1HB ASP 11 2HB ASP 11 -1.640 17.065 3.977 82 2HB ASP 11 1HB ASP 11 -0.529 16.369 5.158 83 H SER 12 HN SER 12 0.355 13.713 4.564 84 HA SER 12 HA SER 12 3.246 14.271 4.821 85 1HB SER 12 2HB SER 12 3.017 12.017 6.188 86 2HB SER 12 1HB SER 12 2.448 13.533 6.877 87 HG SER 12 HG SER 12 0.764 12.156 7.080 88 H GLY 13 HN GLY 13 1.063 12.038 3.211 89 1HA GLY 13 2HA GLY 13 1.642 10.836 1.209 90 2HA GLY 13 1HA GLY 13 3.348 11.030 1.615 91 H ILE 14 HN ILE 14 3.772 8.773 1.406 92 HA ILE 14 HA ILE 14 2.469 7.047 3.473 93 HB ILE 14 HB ILE 14 3.927 6.178 0.960 94 1HG1 ILE 14 2HG1 ILE 14 0.944 6.282 1.517 95 2HG1 ILE 14 1HG1 ILE 14 1.811 7.446 0.514 96 1HG2 ILE 14 3HG2 ILE 14 3.651 4.675 3.107 97 2HG2 ILE 14 2HG2 ILE 14 1.983 4.530 2.552 98 3HG2 ILE 14 1HG2 ILE 14 3.307 3.998 1.516 99 1HD1 ILE 14 3HD1 ILE 14 2.043 4.502 -0.057 100 2HD1 ILE 14 2HD1 ILE 14 0.648 5.409 -0.642 101 3HD1 ILE 14 1HD1 ILE 14 2.273 5.865 -1.152 102 1HN HIP 15 HN HIP 15 3.905 7.583 5.167 103 HA HIP 15 HA HIP 15 6.768 6.975 4.710 104 1HB HIP 15 1HB HIP 15 6.343 9.188 5.628 105 2HB HIP 15 2HB HIP 15 7.186 8.211 6.810 106 HD2 HIP 15 2HD HIP 15 3.384 9.172 6.180 107 HE2 HIP 15 2HE HIP 15 2.343 9.452 8.547 108 HE1 HIP 15 1HE HIP 15 4.061 8.931 10.328 109 H ALA 16 HN ALA 16 7.471 6.376 7.393 110 HA ALA 16 HA ALA 16 7.064 3.590 7.446 111 1HB ALA 16 1HB ALA 16 8.687 5.307 8.773 112 2HB ALA 16 3HB ALA 16 7.578 4.847 10.066 113 3HB ALA 16 2HB ALA 16 8.490 3.608 9.202 114 H ARG 17 HN ARG 17 5.313 6.049 9.430 115 HA ARG 17 HA ARG 17 3.889 4.240 11.046 116 1HB ARG 17 2HB ARG 17 3.865 6.964 10.755 117 2HB ARG 17 1HB ARG 17 2.259 6.532 10.173 118 1HG ARG 17 2HG ARG 17 1.746 5.373 12.221 119 2HG ARG 17 1HG ARG 17 3.409 5.528 12.786 120 1HD ARG 17 2HD ARG 17 2.211 7.244 13.919 121 2HD ARG 17 1HD ARG 17 3.064 8.065 12.613 122 HE ARG 17 HE ARG 17 0.462 7.281 11.704 123 1HH1 ARG 17 HH21 ARG 17 1.848 10.007 11.472 124 2HH1 ARG 17 HH22 ARG 17 0.758 11.003 12.377 125 1HH2 ARG 17 HH11 ARG 17 -0.853 8.329 13.888 126 2HH2 ARG 17 HH12 ARG 17 -0.771 10.054 13.744 127 HA PRO 18 HA PRO 18 0.340 3.935 7.862 128 1HB PRO 18 2HB PRO 18 0.832 4.797 5.290 129 2HB PRO 18 1HB PRO 18 0.057 5.791 6.538 130 1HG PRO 18 2HG PRO 18 2.869 5.902 5.515 131 2HG PRO 18 1HG PRO 18 1.846 7.212 6.130 132 1HD PRO 18 2HD PRO 18 3.873 5.993 7.592 133 2HD PRO 18 1HD PRO 18 2.514 6.872 8.305 134 H ALA 19 HN ALA 19 3.682 3.476 6.954 135 HA ALA 19 HA ALA 19 3.199 1.277 5.106 136 1HB ALA 19 1HB ALA 19 5.660 2.281 6.555 137 2HB ALA 19 3HB ALA 19 5.691 0.865 5.506 138 3HB ALA 19 2HB ALA 19 5.272 2.445 4.842 139 H THR 20 HN THR 20 3.392 1.638 8.561 140 HA THR 20 HA THR 20 3.978 -1.180 9.090 141 HB THR 20 HB THR 20 2.796 0.668 11.134 142 HG1 THR 20 HG1 THR 20 4.796 1.645 11.381 143 1HG2 THR 20 2HG2 THR 20 4.664 -1.661 11.018 144 2HG2 THR 20 1HG2 THR 20 4.863 -0.500 12.330 145 3HG2 THR 20 3HG2 THR 20 3.330 -1.348 12.127 146 H VAL 21 HN VAL 21 1.175 0.913 8.798 147 HA VAL 21 HA VAL 21 -0.750 -0.915 9.945 148 HB VAL 21 HB VAL 21 -1.286 1.161 7.832 149 1HG1 VAL 21 3HG1 VAL 21 -2.932 -0.112 10.029 150 2HG1 VAL 21 2HG1 VAL 21 -3.464 1.300 9.116 151 3HG1 VAL 21 1HG1 VAL 21 -3.192 -0.234 8.289 152 1HG2 VAL 21 3HG2 VAL 21 -0.742 1.453 10.782 153 2HG2 VAL 21 2HG2 VAL 21 -0.126 2.426 9.448 154 3HG2 VAL 21 1HG2 VAL 21 -1.807 2.592 9.956 155 H LEU 22 HN LEU 22 0.582 -0.381 6.756 156 HA LEU 22 HA LEU 22 -1.253 -2.156 5.386 157 1HB LEU 22 2HB LEU 22 1.397 -0.914 4.618 158 2HB LEU 22 1HB LEU 22 0.390 -1.846 3.505 159 HG LEU 22 HG LEU 22 -0.964 0.332 5.021 160 1HD1 LEU 22 2HD1 LEU 22 1.351 1.169 4.185 161 2HD1 LEU 22 1HD1 LEU 22 0.660 1.015 2.570 162 3HD1 LEU 22 3HD1 LEU 22 -0.076 2.107 3.743 163 1HD2 LEU 22 2HD2 LEU 22 -1.038 -0.855 2.234 164 2HD2 LEU 22 1HD2 LEU 22 -2.301 -0.887 3.467 165 3HD2 LEU 22 3HD2 LEU 22 -1.916 0.623 2.639 166 H VAL 23 HN VAL 23 2.192 -2.436 6.358 167 HA VAL 23 HA VAL 23 2.635 -5.062 5.397 168 HB VAL 23 HB VAL 23 4.447 -3.609 6.222 169 1HG1 VAL 23 2HG1 VAL 23 3.105 -2.673 8.126 170 2HG1 VAL 23 1HG1 VAL 23 3.363 -4.188 8.992 171 3HG1 VAL 23 3HG1 VAL 23 4.737 -3.163 8.580 172 1HG2 VAL 23 3HG2 VAL 23 4.325 -6.315 6.492 173 2HG2 VAL 23 2HG2 VAL 23 5.755 -5.366 6.898 174 3HG2 VAL 23 1HG2 VAL 23 4.628 -5.851 8.165 175 H GLN 24 HN GLN 24 0.900 -3.975 8.239 176 HA GLN 24 HA GLN 24 0.893 -6.538 9.598 177 1HB GLN 24 2HB GLN 24 -0.737 -4.012 9.883 178 2HB GLN 24 1HB GLN 24 -1.064 -5.443 10.857 179 1HG GLN 24 2HG GLN 24 1.761 -4.961 10.916 180 2HG GLN 24 1HG GLN 24 0.939 -3.443 11.273 181 1HE2 GLN 24 2HE2 GLN 24 -0.051 -6.577 13.754 182 2HE2 GLN 24 1HE2 GLN 24 0.056 -6.850 12.083 183 H THR 25 HN THR 25 -1.654 -4.776 7.792 184 HA THR 25 HA THR 25 -3.574 -6.873 7.867 185 HB THR 25 HB THR 25 -3.336 -4.957 5.552 186 HG1 THR 25 HG1 THR 25 -4.249 -3.399 6.872 187 1HG2 THR 25 1HG2 THR 25 -5.574 -6.294 7.077 188 2HG2 THR 25 3HG2 THR 25 -5.860 -4.932 5.994 189 3HG2 THR 25 2HG2 THR 25 -5.188 -6.436 5.362 190 H ALA 26 HN ALA 26 -1.533 -5.937 5.069 191 HA ALA 26 HA ALA 26 -2.141 -8.150 3.437 192 1HB ALA 26 1HB ALA 26 0.123 -6.220 3.606 193 2HB ALA 26 3HB ALA 26 0.371 -7.673 2.638 194 3HB ALA 26 2HB ALA 26 -0.956 -6.574 2.256 195 H SER 27 HN SER 27 0.010 -7.972 6.198 196 HA SER 27 HA SER 27 1.603 -10.285 5.657 197 1HB SER 27 2HB SER 27 2.348 -8.900 7.431 198 2HB SER 27 1HB SER 27 0.767 -8.895 8.205 199 HG SER 27 HG SER 27 2.692 -10.959 8.060 200 H LYS 28 HN LYS 28 -1.526 -9.903 7.303 201 HA LYS 28 HA LYS 28 -1.824 -12.638 8.091 202 1HB LYS 28 2HB LYS 28 -3.924 -10.545 7.461 203 2HB LYS 28 1HB LYS 28 -4.240 -12.078 8.277 204 1HG LYS 28 2HG LYS 28 -2.178 -10.122 9.303 205 2HG LYS 28 1HG LYS 28 -3.873 -10.027 9.784 206 1HD LYS 28 2HD LYS 28 -2.157 -12.510 10.072 207 2HD LYS 28 1HD LYS 28 -2.471 -11.364 11.375 208 1HE LYS 28 2HE LYS 28 -5.002 -11.791 10.649 209 2HE LYS 28 1HE LYS 28 -4.325 -13.317 10.080 210 1HZ LYS 28 1HZ LYS 28 -3.230 -13.384 12.384 211 2HZ LYS 28 3HZ LYS 28 -4.398 -12.233 12.820 212 3HZ LYS 28 2HZ LYS 28 -4.883 -13.763 12.262 213 H TYR 29 HN TYR 29 -2.151 -11.085 4.994 214 HA TYR 29 HA TYR 29 -3.776 -13.285 3.889 215 1HB TYR 29 2HB TYR 29 -2.610 -10.762 2.680 216 2HB TYR 29 1HB TYR 29 -3.464 -11.979 1.728 217 HD1 TYR 29 2HD TYR 29 -5.831 -12.643 2.452 218 HD2 TYR 29 1HD TYR 29 -3.820 -9.145 3.921 219 HE1 TYR 29 2HE TYR 29 -8.006 -11.694 3.165 220 HE2 TYR 29 1HE TYR 29 -5.997 -8.195 4.637 221 HH TYR 29 HH TYR 29 -8.857 -10.059 4.768 222 H ASP 30 HN ASP 30 -2.949 -14.979 2.758 223 HA ASP 30 HA ASP 30 -0.067 -15.405 2.758 224 1HB ASP 30 2HB ASP 30 -2.287 -17.039 1.491 225 2HB ASP 30 1HB ASP 30 -0.623 -17.573 1.735 226 H ALA 31 HN ALA 31 -2.404 -14.198 0.464 227 HA ALA 31 HA ALA 31 -1.112 -14.784 -1.987 228 1HB ALA 31 2HB ALA 31 -2.763 -12.392 -1.138 229 2HB ALA 31 1HB ALA 31 -2.236 -12.662 -2.798 230 3HB ALA 31 3HB ALA 31 -3.316 -13.817 -2.017 231 H ASP 32 HN ASP 32 0.390 -13.560 -3.245 232 HA ASP 32 HA ASP 32 2.346 -12.072 -1.611 233 1HB ASP 32 2HB ASP 32 2.418 -12.922 -4.524 234 2HB ASP 32 1HB ASP 32 3.762 -12.198 -3.637 235 H VAL 33 HN VAL 33 1.145 -10.121 -1.265 236 HA VAL 33 HA VAL 33 0.351 -8.535 -3.630 237 HB VAL 33 HB VAL 33 -0.516 -6.928 -1.955 238 1HG1 VAL 33 3HG1 VAL 33 -1.340 -9.700 -2.243 239 2HG1 VAL 33 2HG1 VAL 33 -1.776 -9.089 -0.647 240 3HG1 VAL 33 1HG1 VAL 33 -2.335 -8.253 -2.096 241 1HG2 VAL 33 3HG2 VAL 33 1.270 -8.447 -0.217 242 2HG2 VAL 33 2HG2 VAL 33 0.526 -6.874 0.051 243 3HG2 VAL 33 1HG2 VAL 33 -0.353 -8.345 0.461 244 H ASN 34 HN ASN 34 1.870 -7.277 -4.607 245 HA ASN 34 HA ASN 34 4.070 -6.170 -2.903 246 1HB ASN 34 2HB ASN 34 4.215 -6.855 -5.852 247 2HB ASN 34 1HB ASN 34 5.549 -6.333 -4.823 248 1HD2 ASN 34 2HD2 ASN 34 5.340 -10.148 -5.106 249 2HD2 ASN 34 1HD2 ASN 34 5.231 -8.944 -6.299 250 H LEU 35 HN LEU 35 4.092 -3.991 -2.792 251 HA LEU 35 HA LEU 35 2.404 -2.418 -4.647 252 1HB LEU 35 2HB LEU 35 2.385 -2.022 -2.153 253 2HB LEU 35 1HB LEU 35 4.047 -1.448 -2.290 254 HG LEU 35 HG LEU 35 2.075 -0.255 -4.171 255 1HD1 LEU 35 2HD1 LEU 35 1.908 -0.045 -1.199 256 2HD1 LEU 35 1HD1 LEU 35 1.717 1.443 -2.126 257 3HD1 LEU 35 3HD1 LEU 35 0.630 0.085 -2.408 258 1HD2 LEU 35 1HD2 LEU 35 4.593 0.454 -2.745 259 2HD2 LEU 35 3HD2 LEU 35 4.111 0.790 -4.408 260 3HD2 LEU 35 2HD2 LEU 35 3.480 1.778 -3.091 261 H GLU 36 HN GLU 36 3.264 -0.899 -6.106 262 HA GLU 36 HA GLU 36 6.246 -0.741 -6.259 263 1HB GLU 36 2HB GLU 36 5.265 -2.285 -8.001 264 2HB GLU 36 1HB GLU 36 4.400 -0.895 -8.657 265 1HG GLU 36 2HG GLU 36 6.553 0.278 -9.017 266 2HG GLU 36 1HG GLU 36 7.415 -1.119 -8.369 267 H TYR 37 HN TYR 37 7.042 1.216 -7.249 268 HA TYR 37 HA TYR 37 5.094 3.404 -7.687 269 1HB TYR 37 2HB TYR 37 5.625 3.560 -5.292 270 2HB TYR 37 1HB TYR 37 7.347 3.524 -5.651 271 HD1 TYR 37 1HD TYR 37 4.589 5.391 -7.381 272 HD2 TYR 37 2HD TYR 37 8.161 5.630 -5.006 273 HE1 TYR 37 1HE TYR 37 4.595 7.856 -7.639 274 HE2 TYR 37 2HE TYR 37 8.167 8.096 -5.266 275 HH TYR 37 HH TYR 37 5.696 9.868 -6.052 276 H ASN 38 HN ASN 38 5.696 3.824 -9.770 277 HA ASN 38 HA ASN 38 6.993 4.681 -11.518 278 1HB ASN 38 2HB ASN 38 8.417 5.548 -9.168 279 2HB ASN 38 1HB ASN 38 9.590 5.020 -10.372 280 1HD2 ASN 38 1HD2 ASN 38 9.160 5.953 -12.674 281 2HD2 ASN 38 2HD2 ASN 38 8.604 7.555 -12.756 282 H GLY 39 HN GLY 39 9.683 3.148 -9.752 283 1HA GLY 39 2HA GLY 39 9.547 0.810 -11.560 284 2HA GLY 39 1HA GLY 39 11.014 1.790 -11.608 285 H LYS 40 HN LYS 40 9.249 1.402 -8.616 286 HA LYS 40 HA LYS 40 11.376 -0.461 -7.636 287 1HB LYS 40 2HB LYS 40 10.141 1.959 -6.299 288 2HB LYS 40 1HB LYS 40 11.003 0.716 -5.390 289 1HG LYS 40 2HG LYS 40 13.052 1.209 -6.405 290 2HG LYS 40 1HG LYS 40 12.289 1.966 -7.804 291 1HD LYS 40 2HD LYS 40 11.521 3.830 -6.356 292 2HD LYS 40 1HD LYS 40 12.347 3.087 -4.986 293 1HE LYS 40 2HE LYS 40 14.455 3.581 -5.810 294 2HE LYS 40 1HE LYS 40 13.912 3.582 -7.488 295 1HZ LYS 40 3HZ LYS 40 12.602 5.630 -6.868 296 2HZ LYS 40 2HZ LYS 40 13.513 5.676 -5.434 297 3HZ LYS 40 1HZ LYS 40 14.287 5.814 -6.940 298 H THR 41 HN THR 41 10.172 -2.352 -7.672 299 HA THR 41 HA THR 41 7.417 -2.345 -6.616 300 HB THR 41 HB THR 41 9.055 -4.697 -7.601 301 HG1 THR 41 HG1 THR 41 8.877 -3.137 -9.218 302 1HG2 THR 41 2HG2 THR 41 6.865 -4.944 -6.208 303 2HG2 THR 41 1HG2 THR 41 6.064 -4.384 -7.676 304 3HG2 THR 41 3HG2 THR 41 7.022 -5.864 -7.705 305 H VAL 42 HN VAL 42 7.867 -1.876 -4.384 306 HA VAL 42 HA VAL 42 9.526 -3.815 -2.881 307 HB VAL 42 HB VAL 42 8.789 -2.412 -0.883 308 1HG1 VAL 42 1HG1 VAL 42 10.829 -2.061 -2.656 309 2HG1 VAL 42 3HG1 VAL 42 10.045 -0.482 -2.733 310 3HG1 VAL 42 2HG1 VAL 42 10.618 -1.109 -1.187 311 1HG2 VAL 42 2HG2 VAL 42 6.755 -1.519 -2.183 312 2HG2 VAL 42 1HG2 VAL 42 7.669 -0.347 -1.235 313 3HG2 VAL 42 3HG2 VAL 42 7.890 -0.431 -2.983 314 H ASN 43 HN ASN 43 8.656 -5.242 -1.340 315 HA ASN 43 HA ASN 43 6.005 -6.244 -1.904 316 1HB ASN 43 2HB ASN 43 8.087 -7.498 -0.952 317 2HB ASN 43 1HB ASN 43 7.543 -6.881 0.607 318 1HD2 ASN 43 2HD2 ASN 43 5.818 -10.088 0.403 319 2HD2 ASN 43 1HD2 ASN 43 7.352 -9.464 0.771 320 H LEU 44 HN LEU 44 4.104 -5.970 -0.695 321 HA LEU 44 HA LEU 44 3.644 -3.538 0.664 322 1HB LEU 44 2HB LEU 44 1.962 -5.292 -0.275 323 2HB LEU 44 1HB LEU 44 2.111 -6.069 1.294 324 HG LEU 44 HG LEU 44 0.157 -4.516 1.135 325 1HD1 LEU 44 1HD1 LEU 44 1.806 -4.939 3.232 326 2HD1 LEU 44 3HD1 LEU 44 1.914 -3.184 3.111 327 3HD1 LEU 44 2HD1 LEU 44 0.345 -3.958 3.329 328 1HD2 LEU 44 1HD2 LEU 44 1.403 -2.839 -0.340 329 2HD2 LEU 44 3HD2 LEU 44 0.440 -2.148 0.967 330 3HD2 LEU 44 2HD2 LEU 44 2.192 -2.274 1.132 331 H LYS 45 HN LYS 45 4.902 -6.588 1.839 332 HA LYS 45 HA LYS 45 4.766 -5.697 4.655 333 1HB LYS 45 2HB LYS 45 6.066 -8.210 3.566 334 2HB LYS 45 1HB LYS 45 5.552 -7.900 5.223 335 1HG LYS 45 2HG LYS 45 3.719 -9.102 4.538 336 2HG LYS 45 1HG LYS 45 3.198 -7.512 3.977 337 1HD LYS 45 2HD LYS 45 3.378 -8.098 1.795 338 2HD LYS 45 1HD LYS 45 4.926 -8.902 2.046 339 1HE LYS 45 2HE LYS 45 3.357 -10.597 1.378 340 2HE LYS 45 1HE LYS 45 3.649 -10.818 3.103 341 1HZ LYS 45 2HZ LYS 45 1.626 -9.224 3.313 342 2HZ LYS 45 1HZ LYS 45 1.273 -9.758 1.739 343 3HZ LYS 45 3HZ LYS 45 1.377 -10.876 3.009 344 H SER 46 HN SER 46 6.215 -3.845 3.546 345 HA SER 46 HA SER 46 8.976 -4.400 4.426 346 1HB SER 46 2HB SER 46 8.605 -4.795 1.829 347 2HB SER 46 1HB SER 46 8.664 -3.035 1.769 348 HG SER 46 HG SER 46 10.673 -3.183 2.899 349 H ILE 47 HN ILE 47 8.477 -2.905 6.097 350 HA ILE 47 HA ILE 47 7.432 -0.262 5.554 351 HB ILE 47 HB ILE 47 8.996 -1.194 7.972 352 1HG1 ILE 47 2HG1 ILE 47 6.022 -1.329 7.347 353 2HG1 ILE 47 1HG1 ILE 47 7.108 -2.704 7.522 354 1HG2 ILE 47 3HG2 ILE 47 8.637 1.279 7.666 355 2HG2 ILE 47 2HG2 ILE 47 6.900 0.980 7.662 356 3HG2 ILE 47 1HG2 ILE 47 7.853 0.627 9.103 357 1HD1 ILE 47 2HD1 ILE 47 7.581 -1.460 9.876 358 2HD1 ILE 47 1HD1 ILE 47 5.908 -0.972 9.611 359 3HD1 ILE 47 3HD1 ILE 47 6.328 -2.684 9.673 360 H MET 48 HN MET 48 10.703 -1.441 6.411 361 HA MET 48 HA MET 48 12.021 1.070 6.129 362 1HB MET 48 2HB MET 48 12.953 -1.041 7.190 363 2HB MET 48 1HB MET 48 13.238 -1.643 5.557 364 1HG MET 48 2HG MET 48 15.275 -0.634 5.941 365 2HG MET 48 1HG MET 48 14.396 0.741 5.276 366 1HE MET 48 2HE MET 48 16.349 1.896 6.201 367 2HE MET 48 1HE MET 48 15.059 3.044 6.550 368 3HE MET 48 3HE MET 48 16.304 2.712 7.761 369 H GLY 49 HN GLY 49 11.009 -1.321 3.768 370 1HA GLY 49 2HA GLY 49 12.642 -0.321 1.591 371 2HA GLY 49 1HA GLY 49 11.247 -1.389 1.426 372 H VAL 50 HN VAL 50 9.310 0.266 2.681 373 HA VAL 50 HA VAL 50 8.538 1.947 0.493 374 HB VAL 50 HB VAL 50 7.545 2.040 3.358 375 1HG1 VAL 50 2HG1 VAL 50 6.623 3.183 0.749 376 2HG1 VAL 50 1HG1 VAL 50 5.402 2.646 1.904 377 3HG1 VAL 50 3HG1 VAL 50 6.564 3.890 2.365 378 1HG2 VAL 50 2HG2 VAL 50 7.515 -0.161 1.692 379 2HG2 VAL 50 1HG2 VAL 50 6.353 0.138 2.984 380 3HG2 VAL 50 3HG2 VAL 50 5.966 0.597 1.326 381 H VAL 51 HN VAL 51 10.406 2.543 3.402 382 HA VAL 51 HA VAL 51 10.211 5.441 3.286 383 HB VAL 51 HB VAL 51 12.325 3.719 4.618 384 1HG1 VAL 51 3HG1 VAL 51 12.809 6.186 4.298 385 2HG1 VAL 51 2HG1 VAL 51 11.397 6.520 5.300 386 3HG1 VAL 51 1HG1 VAL 51 12.773 5.654 5.980 387 1HG2 VAL 51 3HG2 VAL 51 9.524 4.446 5.341 388 2HG2 VAL 51 2HG2 VAL 51 10.443 2.993 5.731 389 3HG2 VAL 51 1HG2 VAL 51 10.723 4.481 6.633 390 H SER 52 HN SER 52 12.332 3.005 1.897 391 HA SER 52 HA SER 52 14.462 4.742 1.093 392 1HB SER 52 2HB SER 52 15.187 2.943 -0.298 393 2HB SER 52 1HB SER 52 14.449 2.186 1.110 394 HG SER 52 HG SER 52 13.829 1.772 -1.372 395 H LEU 53 HN LEU 53 11.290 4.118 -0.260 396 HA LEU 53 HA LEU 53 11.871 5.251 -2.873 397 1HB LEU 53 2HB LEU 53 9.258 4.719 -1.430 398 2HB LEU 53 1HB LEU 53 9.365 5.293 -3.094 399 HG LEU 53 HG LEU 53 11.100 3.144 -3.116 400 1HD1 LEU 53 2HD1 LEU 53 9.873 2.795 -0.730 401 2HD1 LEU 53 1HD1 LEU 53 8.721 1.967 -1.777 402 3HD1 LEU 53 3HD1 LEU 53 10.406 1.450 -1.740 403 1HD2 LEU 53 2HD2 LEU 53 9.316 3.746 -4.770 404 2HD2 LEU 53 1HD2 LEU 53 9.358 2.022 -4.403 405 3HD2 LEU 53 3HD2 LEU 53 8.118 3.046 -3.680 406 H GLY 54 HN GLY 54 10.235 6.461 0.064 407 1HA GLY 54 2HA GLY 54 10.067 8.675 0.854 408 2HA GLY 54 1HA GLY 54 11.154 9.171 -0.446 409 H ILE 55 HN ILE 55 7.830 7.873 -0.128 410 HA ILE 55 HA ILE 55 6.942 9.194 -2.559 411 HB ILE 55 HB ILE 55 5.287 8.011 -0.305 412 1HG1 ILE 55 2HG1 ILE 55 5.832 6.575 -2.871 413 2HG1 ILE 55 1HG1 ILE 55 7.114 6.599 -1.662 414 1HG2 ILE 55 1HG2 ILE 55 4.701 8.788 -3.171 415 2HG2 ILE 55 3HG2 ILE 55 3.673 7.674 -2.267 416 3HG2 ILE 55 2HG2 ILE 55 3.878 9.334 -1.709 417 1HD1 ILE 55 3HD1 ILE 55 4.263 5.770 -1.066 418 2HD1 ILE 55 2HD1 ILE 55 5.552 4.633 -1.459 419 3HD1 ILE 55 1HD1 ILE 55 5.660 5.618 0.000 420 H ALA 56 HN ALA 56 5.165 10.839 -2.540 421 HA ALA 56 HA ALA 56 5.064 12.520 -0.097 422 1HB ALA 56 3HB ALA 56 6.868 13.138 -2.051 423 2HB ALA 56 2HB ALA 56 5.460 14.046 -2.600 424 3HB ALA 56 1HB ALA 56 6.119 14.332 -0.990 425 H LYS 57 HN LYS 57 3.716 14.693 -1.213 426 HA LYS 57 HA LYS 57 1.050 13.598 -1.521 427 1HB LYS 57 2HB LYS 57 2.132 16.414 -1.811 428 2HB LYS 57 1HB LYS 57 0.419 16.007 -1.890 429 1HG LYS 57 2HG LYS 57 0.278 15.577 0.351 430 2HG LYS 57 1HG LYS 57 1.926 14.956 0.447 431 1HD LYS 57 2HD LYS 57 1.269 17.886 0.037 432 2HD LYS 57 1HD LYS 57 1.586 17.174 1.619 433 1HE LYS 57 2HE LYS 57 3.782 16.307 0.611 434 2HE LYS 57 1HE LYS 57 3.475 17.414 -0.727 435 1HZ LYS 57 2HZ LYS 57 3.312 19.224 0.897 436 2HZ LYS 57 1HZ LYS 57 3.717 18.141 2.142 437 3HZ LYS 57 3HZ LYS 57 4.839 18.483 0.917 438 H GLY 58 HN GLY 58 -0.090 13.245 -3.381 439 1HA GLY 58 2HA GLY 58 -0.658 13.381 -5.680 440 2HA GLY 58 1HA GLY 58 0.699 14.482 -5.919 441 H ALA 59 HN ALA 59 0.642 11.186 -4.565 442 HA ALA 59 HA ALA 59 2.652 10.427 -6.643 443 1HB ALA 59 3HB ALA 59 3.012 10.301 -3.984 444 2HB ALA 59 2HB ALA 59 2.227 8.739 -4.221 445 3HB ALA 59 1HB ALA 59 3.722 9.115 -5.081 446 H GLU 60 HN GLU 60 2.497 8.150 -7.405 447 HA GLU 60 HA GLU 60 -0.320 7.134 -7.346 448 1HB GLU 60 2HB GLU 60 1.588 6.963 -9.701 449 2HB GLU 60 1HB GLU 60 -0.115 6.503 -9.676 450 1HG GLU 60 2HG GLU 60 -0.437 8.602 -10.512 451 2HG GLU 60 1HG GLU 60 -0.287 9.087 -8.823 452 H ILE 61 HN ILE 61 -0.353 5.178 -6.371 453 HA ILE 61 HA ILE 61 2.089 3.464 -6.564 454 HB ILE 61 HB ILE 61 1.177 2.366 -4.470 455 1HG1 ILE 61 2HG1 ILE 61 -0.631 4.808 -4.459 456 2HG1 ILE 61 1HG1 ILE 61 -1.173 3.161 -4.775 457 1HG2 ILE 61 1HG2 ILE 61 1.917 5.300 -4.493 458 2HG2 ILE 61 3HG2 ILE 61 1.791 4.360 -3.006 459 3HG2 ILE 61 2HG2 ILE 61 2.983 3.921 -4.230 460 1HD1 ILE 61 1HD1 ILE 61 0.411 3.334 -2.326 461 2HD1 ILE 61 3HD1 ILE 61 -1.007 4.383 -2.273 462 3HD1 ILE 61 2HD1 ILE 61 -1.198 2.656 -2.572 463 H THR 62 HN THR 62 1.764 1.195 -6.919 464 HA THR 62 HA THR 62 -0.969 0.409 -7.816 465 HB THR 62 HB THR 62 1.572 -0.205 -9.352 466 HG1 THR 62 HG1 THR 62 1.033 1.986 -9.505 467 1HG2 THR 62 2HG2 THR 62 -1.293 -0.969 -9.571 468 2HG2 THR 62 1HG2 THR 62 -0.460 -0.586 -11.077 469 3HG2 THR 62 3HG2 THR 62 0.151 -1.869 -10.033 470 H ILE 63 HN ILE 63 -1.430 -1.172 -6.351 471 HA ILE 63 HA ILE 63 0.697 -3.021 -5.458 472 HB ILE 63 HB ILE 63 -2.204 -2.707 -4.612 473 1HG1 ILE 63 2HG1 ILE 63 0.383 -1.993 -3.197 474 2HG1 ILE 63 1HG1 ILE 63 -0.646 -0.835 -4.039 475 1HG2 ILE 63 3HG2 ILE 63 0.003 -4.548 -3.668 476 2HG2 ILE 63 2HG2 ILE 63 -1.355 -4.115 -2.628 477 3HG2 ILE 63 1HG2 ILE 63 -1.643 -4.971 -4.145 478 1HD1 ILE 63 1HD1 ILE 63 -2.531 -1.865 -2.501 479 2HD1 ILE 63 3HD1 ILE 63 -1.161 -2.325 -1.491 480 3HD1 ILE 63 2HD1 ILE 63 -1.445 -0.627 -1.868 481 H SER 64 HN SER 64 0.305 -5.368 -5.545 482 HA SER 64 HA SER 64 -1.665 -6.264 -7.565 483 1HB SER 64 2HB SER 64 0.242 -7.677 -8.590 484 2HB SER 64 1HB SER 64 0.180 -5.967 -9.007 485 HG SER 64 HG SER 64 2.197 -6.115 -8.333 486 H ALA 65 HN ALA 65 -2.774 -7.594 -6.176 487 HA ALA 65 HA ALA 65 -1.302 -9.391 -4.340 488 1HB ALA 65 2HB ALA 65 -3.530 -8.119 -3.834 489 2HB ALA 65 1HB ALA 65 -4.288 -9.409 -4.768 490 3HB ALA 65 3HB ALA 65 -3.378 -9.794 -3.307 491 H SER 66 HN SER 66 -0.693 -11.398 -5.052 492 HA SER 66 HA SER 66 -2.422 -12.767 -7.062 493 1HB SER 66 2HB SER 66 0.496 -13.194 -7.300 494 2HB SER 66 1HB SER 66 -0.732 -13.128 -8.555 495 HG SER 66 HG SER 66 -0.801 -10.852 -8.215 496 H GLY 67 HN GLY 67 -3.194 -14.421 -5.810 497 1HA GLY 67 2HA GLY 67 -1.562 -16.628 -5.107 498 2HA GLY 67 1HA GLY 67 -1.790 -15.657 -3.650 499 H ALA 68 HN ALA 68 -3.197 -16.990 -2.521 500 HA ALA 68 HA ALA 68 -5.563 -18.121 -3.864 501 1HB ALA 68 2HB ALA 68 -4.413 -18.302 -1.080 502 2HB ALA 68 1HB ALA 68 -6.044 -18.879 -1.425 503 3HB ALA 68 3HB ALA 68 -4.662 -19.594 -2.255 504 H ASP 69 HN ASP 69 -4.972 -15.915 -1.105 505 HA ASP 69 HA ASP 69 -7.752 -14.888 -1.420 506 1HB ASP 69 2HB ASP 69 -7.292 -13.783 0.800 507 2HB ASP 69 1HB ASP 69 -7.217 -15.544 0.850 508 H GLU 70 HN GLU 70 -6.009 -14.124 -3.429 509 HA GLU 70 HA GLU 70 -4.628 -11.658 -2.929 510 1HB GLU 70 2HB GLU 70 -4.818 -11.368 -5.445 511 2HB GLU 70 1HB GLU 70 -4.066 -12.872 -4.919 512 1HG GLU 70 2HG GLU 70 -6.023 -14.139 -5.389 513 2HG GLU 70 1HG GLU 70 -7.025 -12.694 -5.509 514 H ASN 71 HN ASN 71 -7.973 -12.398 -3.788 515 HA ASN 71 HA ASN 71 -8.690 -9.636 -4.338 516 1HB ASN 71 2HB ASN 71 -10.183 -12.213 -3.992 517 2HB ASN 71 1HB ASN 71 -11.076 -10.693 -3.913 518 1HD2 ASN 71 2HD2 ASN 71 -10.868 -10.090 -7.388 519 2HD2 ASN 71 1HD2 ASN 71 -11.421 -9.544 -5.879 520 H ASP 72 HN ASP 72 -8.798 -11.753 -1.510 521 HA ASP 72 HA ASP 72 -10.298 -9.872 0.124 522 1HB ASP 72 2HB ASP 72 -8.631 -12.298 0.846 523 2HB ASP 72 1HB ASP 72 -9.599 -11.383 2.002 524 H ALA 73 HN ALA 73 -6.948 -10.228 -0.742 525 HA ALA 73 HA ALA 73 -5.940 -8.764 1.579 526 1HB ALA 73 2HB ALA 73 -4.662 -9.618 -1.026 527 2HB ALA 73 1HB ALA 73 -3.798 -8.745 0.241 528 3HB ALA 73 3HB ALA 73 -4.450 -10.352 0.563 529 H LEU 74 HN LEU 74 -6.534 -8.009 -1.868 530 HA LEU 74 HA LEU 74 -5.513 -5.340 -1.729 531 1HB LEU 74 2HB LEU 74 -6.636 -4.960 -3.857 532 2HB LEU 74 1HB LEU 74 -5.893 -6.555 -3.858 533 HG LEU 74 HG LEU 74 -8.273 -7.312 -2.982 534 1HD1 LEU 74 3HD1 LEU 74 -8.725 -4.573 -3.401 535 2HD1 LEU 74 2HD1 LEU 74 -9.450 -5.355 -4.805 536 3HD1 LEU 74 1HD1 LEU 74 -9.958 -5.813 -3.180 537 1HD2 LEU 74 3HD2 LEU 74 -7.081 -7.921 -5.133 538 2HD2 LEU 74 2HD2 LEU 74 -8.842 -7.881 -5.253 539 3HD2 LEU 74 1HD2 LEU 74 -7.885 -6.542 -5.883 540 H ASN 75 HN ASN 75 -8.820 -6.600 -1.243 541 HA ASN 75 HA ASN 75 -9.912 -3.932 -0.857 542 1HB ASN 75 2HB ASN 75 -11.974 -5.050 -0.185 543 2HB ASN 75 1HB ASN 75 -11.325 -5.829 -1.625 544 1HD2 ASN 75 2HD2 ASN 75 -12.227 -8.298 1.196 545 2HD2 ASN 75 1HD2 ASN 75 -13.060 -6.918 0.665 546 H ALA 76 HN ALA 76 -8.380 -6.298 1.210 547 HA ALA 76 HA ALA 76 -9.361 -5.311 3.724 548 1HB ALA 76 3HB ALA 76 -7.416 -7.237 2.811 549 2HB ALA 76 2HB ALA 76 -6.709 -6.256 4.093 550 3HB ALA 76 1HB ALA 76 -8.210 -7.132 4.381 551 H LEU 77 HN LEU 77 -6.167 -4.768 2.173 552 HA LEU 77 HA LEU 77 -5.419 -2.628 3.913 553 1HB LEU 77 2HB LEU 77 -4.507 -3.030 1.056 554 2HB LEU 77 1HB LEU 77 -3.646 -2.177 2.336 555 HG LEU 77 HG LEU 77 -4.305 -4.836 3.256 556 1HD1 LEU 77 3HD1 LEU 77 -4.109 -4.936 0.562 557 2HD1 LEU 77 2HD1 LEU 77 -2.404 -5.080 0.991 558 3HD1 LEU 77 1HD1 LEU 77 -3.572 -6.244 1.616 559 1HD2 LEU 77 2HD2 LEU 77 -1.748 -3.330 2.650 560 2HD2 LEU 77 1HD2 LEU 77 -2.492 -3.606 4.224 561 3HD2 LEU 77 3HD2 LEU 77 -1.754 -4.947 3.351 562 H GLU 78 HN GLU 78 -7.367 -2.719 0.996 563 HA GLU 78 HA GLU 78 -7.257 0.035 0.276 564 1HB GLU 78 2HB GLU 78 -8.279 -1.703 -1.149 565 2HB GLU 78 1HB GLU 78 -9.580 -1.903 0.021 566 1HG GLU 78 2HG GLU 78 -10.674 -0.051 -0.703 567 2HG GLU 78 1HG GLU 78 -9.189 0.893 -0.805 568 H GLU 79 HN GLU 79 -9.723 -1.624 2.301 569 HA GLU 79 HA GLU 79 -11.114 0.734 3.057 570 1HB GLU 79 2HB GLU 79 -11.943 -0.644 4.979 571 2HB GLU 79 1HB GLU 79 -12.094 -1.454 3.419 572 1HG GLU 79 2HG GLU 79 -10.248 -2.870 3.842 573 2HG GLU 79 1HG GLU 79 -9.666 -1.859 5.164 574 H THR 80 HN THR 80 -8.154 -0.694 4.294 575 HA THR 80 HA THR 80 -8.060 0.807 6.761 576 HB THR 80 HB THR 80 -5.738 -0.287 5.142 577 HG1 THR 80 HG1 THR 80 -6.198 -2.186 5.960 578 1HG2 THR 80 2HG2 THR 80 -6.052 0.935 7.817 579 2HG2 THR 80 1HG2 THR 80 -5.100 -0.548 7.778 580 3HG2 THR 80 3HG2 THR 80 -4.625 0.829 6.786 581 H MET 81 HN MET 81 -7.033 1.413 3.454 582 HA MET 81 HA MET 81 -5.520 3.809 4.014 583 1HB MET 81 2HB MET 81 -6.759 2.629 1.524 584 2HB MET 81 1HB MET 81 -5.941 4.190 1.497 585 1HG MET 81 2HG MET 81 -4.613 1.745 2.662 586 2HG MET 81 1HG MET 81 -4.524 2.105 0.938 587 1HE MET 81 1HE MET 81 -2.933 1.977 3.833 588 2HE MET 81 3HE MET 81 -1.755 3.287 3.995 589 3HE MET 81 2HE MET 81 -3.389 3.484 4.623 590 H LYS 82 HN LYS 82 -8.906 3.117 3.334 591 HA LYS 82 HA LYS 82 -9.653 5.896 2.912 592 1HB LYS 82 2HB LYS 82 -11.094 3.293 3.219 593 2HB LYS 82 1HB LYS 82 -12.006 4.781 3.479 594 1HG LYS 82 2HG LYS 82 -11.922 5.373 1.278 595 2HG LYS 82 1HG LYS 82 -10.270 4.787 1.081 596 1HD LYS 82 2HD LYS 82 -11.110 2.456 1.052 597 2HD LYS 82 1HD LYS 82 -12.760 3.059 1.206 598 1HE LYS 82 2HE LYS 82 -11.135 4.230 -0.990 599 2HE LYS 82 1HE LYS 82 -11.611 2.543 -1.185 600 1HZ LYS 82 3HZ LYS 82 -13.920 3.333 -0.558 601 2HZ LYS 82 2HZ LYS 82 -13.348 4.910 -0.827 602 3HZ LYS 82 1HZ LYS 82 -13.354 3.777 -2.093 603 H SER 83 HN SER 83 -9.374 3.767 5.686 604 HA SER 83 HA SER 83 -10.966 5.307 7.517 605 1HB SER 83 2HB SER 83 -9.901 4.011 9.251 606 2HB SER 83 1HB SER 83 -10.156 2.939 7.877 607 HG SER 83 HG SER 83 -7.884 3.539 9.088 608 H GLU 84 HN GLU 84 -7.435 5.250 6.920 609 HA GLU 84 HA GLU 84 -7.066 7.611 8.636 610 1HB GLU 84 2HB GLU 84 -5.058 6.158 6.888 611 2HB GLU 84 1HB GLU 84 -4.691 7.326 8.159 612 1HG GLU 84 2HG GLU 84 -6.178 4.728 8.634 613 2HG GLU 84 1HG GLU 84 -4.443 4.928 8.886 614 H GLY 85 HN GLY 85 -7.863 7.077 5.353 615 1HA GLY 85 2HA GLY 85 -8.085 8.584 3.571 616 2HA GLY 85 1HA GLY 85 -7.805 9.880 4.735 617 H LEU 86 HN LEU 86 -5.622 7.190 3.995 618 HA LEU 86 HA LEU 86 -3.425 9.074 3.570 619 1HB LEU 86 2HB LEU 86 -3.623 6.059 3.523 620 2HB LEU 86 1HB LEU 86 -2.129 6.921 3.152 621 HG LEU 86 HG LEU 86 -3.679 7.440 5.692 622 1HD1 LEU 86 3HD1 LEU 86 -1.528 5.386 5.136 623 2HD1 LEU 86 2HD1 LEU 86 -1.943 5.934 6.760 624 3HD1 LEU 86 1HD1 LEU 86 -3.145 5.098 5.775 625 1HD2 LEU 86 2HD2 LEU 86 -0.938 8.071 4.609 626 2HD2 LEU 86 1HD2 LEU 86 -2.113 9.160 5.346 627 3HD2 LEU 86 3HD2 LEU 86 -1.214 8.022 6.350 628 H GLY 87 HN GLY 87 -4.696 6.366 1.591 629 1HA GLY 87 2HA GLY 87 -4.467 8.078 -0.821 630 2HA GLY 87 1HA GLY 87 -3.538 6.577 -0.800 631 H GLU 88 HN GLU 88 -6.367 7.849 -1.884 632 HA GLU 88 HA GLU 88 -7.795 5.225 -1.669 633 1HB GLU 88 2HB GLU 88 -9.882 6.556 -2.080 634 2HB GLU 88 1HB GLU 88 -9.069 6.985 -0.575 635 1HG GLU 88 2HG GLU 88 -8.373 9.040 -1.371 636 2HG GLU 88 1HG GLU 88 -8.315 8.489 -3.044 No H/Q in entry = 636 Start of MODEL 15 1 1H ALA 2 2HT ALA 2 -6.386 -8.792 -10.913 2 2H ALA 2 1HT ALA 2 -7.285 -10.224 -10.758 3 3H ALA 2 3HT ALA 2 -8.081 -8.729 -10.822 4 HA ALA 2 HA ALA 2 -8.147 -9.079 -8.587 5 1HB ALA 2 2HB ALA 2 -6.895 -11.235 -8.769 6 2HB ALA 2 1HB ALA 2 -5.386 -10.321 -8.776 7 3HB ALA 2 3HB ALA 2 -6.428 -10.292 -7.353 8 H GLN 3 HN GLN 3 -4.847 -8.306 -9.769 9 HA GLN 3 HA GLN 3 -4.059 -6.494 -7.793 10 1HB GLN 3 2HB GLN 3 -2.664 -5.416 -9.560 11 2HB GLN 3 1HB GLN 3 -2.549 -7.174 -9.574 12 1HG GLN 3 2HG GLN 3 -4.581 -6.939 -11.282 13 2HG GLN 3 1HG GLN 3 -3.867 -5.346 -11.535 14 1HE2 GLN 3 2HE2 GLN 3 -1.439 -8.573 -12.357 15 2HE2 GLN 3 1HE2 GLN 3 -2.485 -8.650 -11.021 16 H LYS 4 HN LYS 4 -4.112 -4.159 -7.677 17 HA LYS 4 HA LYS 4 -6.145 -2.776 -9.331 18 1HB LYS 4 2HB LYS 4 -6.688 -3.731 -6.687 19 2HB LYS 4 1HB LYS 4 -6.588 -1.973 -6.607 20 1HG LYS 4 2HG LYS 4 -8.062 -2.205 -8.847 21 2HG LYS 4 1HG LYS 4 -8.548 -3.697 -8.039 22 1HD LYS 4 2HD LYS 4 -10.059 -2.328 -7.006 23 2HD LYS 4 1HD LYS 4 -8.691 -1.959 -5.955 24 1HE LYS 4 2HE LYS 4 -8.118 -0.019 -7.346 25 2HE LYS 4 1HE LYS 4 -9.443 -0.399 -8.445 26 1HZ LYS 4 3HZ LYS 4 -9.751 0.225 -5.559 27 2HZ LYS 4 2HZ LYS 4 -10.039 1.317 -6.828 28 3HZ LYS 4 1HZ LYS 4 -11.007 -0.069 -6.659 29 H THR 5 HN THR 5 -6.051 -0.386 -8.962 30 HA THR 5 HA THR 5 -3.261 0.424 -8.304 31 HB THR 5 HB THR 5 -5.346 2.139 -9.661 32 HG1 THR 5 HG1 THR 5 -4.315 1.342 -11.610 33 1HG2 THR 5 3HG2 THR 5 -2.374 2.153 -9.290 34 2HG2 THR 5 2HG2 THR 5 -3.049 2.869 -10.754 35 3HG2 THR 5 1HG2 THR 5 -3.523 3.486 -9.171 36 H PHE 6 HN PHE 6 -3.064 2.616 -7.227 37 HA PHE 6 HA PHE 6 -5.359 3.388 -5.529 38 1HB PHE 6 2HB PHE 6 -2.759 2.257 -4.487 39 2HB PHE 6 1HB PHE 6 -3.748 3.341 -3.508 40 HD1 PHE 6 1HD PHE 6 -3.651 0.062 -5.225 41 HD2 PHE 6 2HD PHE 6 -5.856 2.630 -2.578 42 HE1 PHE 6 1HE PHE 6 -5.119 -1.837 -4.608 43 HE2 PHE 6 2HE PHE 6 -7.324 0.732 -1.960 44 HZ PHE 6 HZ PHE 6 -6.961 -1.503 -2.973 45 H LYS 7 HN LYS 7 -5.203 5.554 -4.838 46 HA LYS 7 HA LYS 7 -2.905 7.069 -6.004 47 1HB LYS 7 2HB LYS 7 -5.494 7.495 -6.543 48 2HB LYS 7 1HB LYS 7 -5.376 8.457 -5.071 49 1HG LYS 7 2HG LYS 7 -4.845 9.958 -6.843 50 2HG LYS 7 1HG LYS 7 -3.299 9.531 -6.109 51 1HD LYS 7 2HD LYS 7 -3.069 9.388 -8.522 52 2HD LYS 7 1HD LYS 7 -3.024 7.754 -7.859 53 1HE LYS 7 2HE LYS 7 -5.104 7.203 -8.705 54 2HE LYS 7 1HE LYS 7 -5.683 8.867 -8.648 55 1HZ LYS 7 1HZ LYS 7 -3.655 7.828 -10.552 56 2HZ LYS 7 3HZ LYS 7 -5.287 8.103 -10.920 57 3HZ LYS 7 2HZ LYS 7 -4.279 9.408 -10.516 58 H VAL 8 HN VAL 8 -1.522 7.995 -4.607 59 HA VAL 8 HA VAL 8 -2.117 7.898 -1.714 60 HB VAL 8 HB VAL 8 0.429 8.817 -3.079 61 1HG1 VAL 8 1HG1 VAL 8 0.026 9.400 -0.652 62 2HG1 VAL 8 3HG1 VAL 8 -0.030 7.671 -0.312 63 3HG1 VAL 8 2HG1 VAL 8 1.450 8.400 -0.934 64 1HG2 VAL 8 3HG2 VAL 8 -0.419 6.053 -2.153 65 2HG2 VAL 8 2HG2 VAL 8 -0.045 6.540 -3.806 66 3HG2 VAL 8 1HG2 VAL 8 1.233 6.489 -2.592 67 H THR 9 HN THR 9 -2.975 9.645 -0.724 68 HA THR 9 HA THR 9 -2.228 12.356 -1.724 69 HB THR 9 HB THR 9 -5.013 11.724 -0.750 70 HG1 THR 9 HG1 THR 9 -5.536 11.027 -2.670 71 1HG2 THR 9 1HG2 THR 9 -3.806 14.094 -1.126 72 2HG2 THR 9 3HG2 THR 9 -4.356 13.802 -2.775 73 3HG2 THR 9 2HG2 THR 9 -5.522 13.849 -1.453 74 H ALA 10 HN ALA 10 -1.471 10.584 0.658 75 HA ALA 10 HA ALA 10 -2.617 11.914 2.977 76 1HB ALA 10 3HB ALA 10 -0.569 9.808 2.481 77 2HB ALA 10 2HB ALA 10 -0.438 10.707 3.992 78 3HB ALA 10 1HB ALA 10 -1.916 9.818 3.620 79 H ASP 11 HN ASP 11 -1.629 13.527 4.241 80 HA ASP 11 HA ASP 11 -0.015 15.466 2.957 81 1HB ASP 11 2HB ASP 11 -0.546 14.886 5.875 82 2HB ASP 11 1HB ASP 11 0.458 16.242 5.361 83 H SER 12 HN SER 12 0.961 12.975 5.332 84 HA SER 12 HA SER 12 3.800 13.608 4.982 85 1HB SER 12 2HB SER 12 3.961 11.352 6.327 86 2HB SER 12 1HB SER 12 3.381 12.805 7.134 87 HG SER 12 HG SER 12 2.122 10.656 7.165 88 H GLY 13 HN GLY 13 1.481 11.305 3.699 89 1HA GLY 13 2HA GLY 13 1.824 10.246 1.541 90 2HA GLY 13 1HA GLY 13 3.567 10.362 1.798 91 H ILE 14 HN ILE 14 3.554 8.021 1.255 92 HA ILE 14 HA ILE 14 2.484 6.277 3.413 93 HB ILE 14 HB ILE 14 3.701 5.542 0.733 94 1HG1 ILE 14 2HG1 ILE 14 0.797 5.568 1.607 95 2HG1 ILE 14 1HG1 ILE 14 1.544 6.815 0.606 96 1HG2 ILE 14 1HG2 ILE 14 2.698 3.998 3.063 97 2HG2 ILE 14 3HG2 ILE 14 2.177 3.428 1.477 98 3HG2 ILE 14 2HG2 ILE 14 3.896 3.552 1.849 99 1HD1 ILE 14 2HD1 ILE 14 1.612 3.890 -0.150 100 2HD1 ILE 14 1HD1 ILE 14 0.301 4.959 -0.647 101 3HD1 ILE 14 3HD1 ILE 14 1.952 5.284 -1.174 102 1HN HIP 15 HN HIP 15 4.383 7.505 4.628 103 HA HIP 15 HA HIP 15 7.018 6.344 4.087 104 1HB HIP 15 1HB HIP 15 6.753 8.736 4.794 105 2HB HIP 15 2HB HIP 15 7.867 7.817 5.786 106 HD2 HIP 15 2HD HIP 15 3.951 8.421 6.220 107 HE2 HIP 15 2HE HIP 15 3.653 9.088 8.713 108 HE1 HIP 15 1HE HIP 15 5.897 9.140 9.884 109 H ALA 16 HN ALA 16 7.784 6.190 6.957 110 HA ALA 16 HA ALA 16 7.370 3.422 7.349 111 1HB ALA 16 3HB ALA 16 9.002 5.283 8.454 112 2HB ALA 16 2HB ALA 16 7.878 5.013 9.786 113 3HB ALA 16 1HB ALA 16 8.782 3.659 9.106 114 H ARG 17 HN ARG 17 5.702 6.130 9.054 115 HA ARG 17 HA ARG 17 4.200 4.613 10.862 116 1HB ARG 17 2HB ARG 17 4.150 7.278 9.918 117 2HB ARG 17 1HB ARG 17 2.498 6.685 9.784 118 1HG ARG 17 2HG ARG 17 2.457 7.364 11.984 119 2HG ARG 17 1HG ARG 17 3.060 5.723 12.219 120 1HD ARG 17 2HD ARG 17 5.266 6.442 12.547 121 2HD ARG 17 1HD ARG 17 4.988 7.980 11.727 122 HE ARG 17 HE ARG 17 3.506 8.521 13.775 123 1HH1 ARG 17 HH21 ARG 17 3.480 6.681 15.718 124 2HH1 ARG 17 HH22 ARG 17 4.991 6.745 16.562 125 1HH2 ARG 17 HH11 ARG 17 6.630 8.466 14.036 126 2HH2 ARG 17 HH12 ARG 17 6.775 7.756 15.610 127 HA PRO 18 HA PRO 18 0.684 3.885 7.718 128 1HB PRO 18 2HB PRO 18 1.132 4.526 5.079 129 2HB PRO 18 1HB PRO 18 0.369 5.621 6.245 130 1HG PRO 18 2HG PRO 18 3.156 5.665 5.166 131 2HG PRO 18 1HG PRO 18 2.139 7.015 5.698 132 1HD PRO 18 2HD PRO 18 4.215 5.895 7.193 133 2HD PRO 18 1HD PRO 18 2.893 6.869 7.864 134 H ALA 19 HN ALA 19 4.025 3.338 6.925 135 HA ALA 19 HA ALA 19 3.571 1.040 5.194 136 1HB ALA 19 3HB ALA 19 5.652 2.412 5.100 137 2HB ALA 19 2HB ALA 19 6.067 1.846 6.717 138 3HB ALA 19 1HB ALA 19 5.985 0.703 5.377 139 H THR 20 HN THR 20 3.693 1.601 8.626 140 HA THR 20 HA THR 20 4.213 -1.213 9.293 141 HB THR 20 HB THR 20 3.129 0.720 11.296 142 HG1 THR 20 HG1 THR 20 5.679 0.877 10.073 143 1HG2 THR 20 2HG2 THR 20 4.112 -1.765 11.507 144 2HG2 THR 20 1HG2 THR 20 5.624 -0.868 11.642 145 3HG2 THR 20 3HG2 THR 20 4.315 -0.566 12.784 146 H VAL 21 HN VAL 21 1.508 1.024 9.040 147 HA VAL 21 HA VAL 21 -0.467 -0.740 10.224 148 HB VAL 21 HB VAL 21 -0.958 1.464 8.230 149 1HG1 VAL 21 3HG1 VAL 21 -2.834 -0.098 8.882 150 2HG1 VAL 21 2HG1 VAL 21 -2.651 0.479 10.538 151 3HG1 VAL 21 1HG1 VAL 21 -3.133 1.598 9.263 152 1HG2 VAL 21 3HG2 VAL 21 -0.219 1.557 11.138 153 2HG2 VAL 21 2HG2 VAL 21 0.257 2.643 9.832 154 3HG2 VAL 21 1HG2 VAL 21 -1.364 2.746 10.515 155 H LEU 22 HN LEU 22 0.736 -0.116 6.995 156 HA LEU 22 HA LEU 22 -1.242 -1.753 5.647 157 1HB LEU 22 2HB LEU 22 1.415 -0.589 4.786 158 2HB LEU 22 1HB LEU 22 0.312 -1.432 3.697 159 HG LEU 22 HG LEU 22 -0.463 0.986 5.353 160 1HD1 LEU 22 3HD1 LEU 22 0.740 0.675 2.623 161 2HD1 LEU 22 2HD1 LEU 22 -0.494 1.919 2.850 162 3HD1 LEU 22 1HD1 LEU 22 0.983 1.955 3.815 163 1HD2 LEU 22 2HD2 LEU 22 -1.800 -0.678 3.208 164 2HD2 LEU 22 1HD2 LEU 22 -2.416 -0.253 4.805 165 3HD2 LEU 22 3HD2 LEU 22 -2.315 0.976 3.543 166 H VAL 23 HN VAL 23 2.195 -2.202 6.532 167 HA VAL 23 HA VAL 23 2.504 -4.786 5.383 168 HB VAL 23 HB VAL 23 4.407 -3.420 6.177 169 1HG1 VAL 23 1HG1 VAL 23 3.218 -2.579 8.229 170 2HG1 VAL 23 3HG1 VAL 23 3.485 -4.156 8.970 171 3HG1 VAL 23 2HG1 VAL 23 4.861 -3.140 8.534 172 1HG2 VAL 23 1HG2 VAL 23 4.252 -6.105 6.221 173 2HG2 VAL 23 3HG2 VAL 23 5.705 -5.241 6.723 174 3HG2 VAL 23 2HG2 VAL 23 4.563 -5.826 7.933 175 H GLN 24 HN GLN 24 0.968 -3.764 8.361 176 HA GLN 24 HA GLN 24 0.931 -6.378 9.613 177 1HB GLN 24 2HB GLN 24 -0.766 -3.909 10.079 178 2HB GLN 24 1HB GLN 24 -0.785 -5.341 11.103 179 1HG GLN 24 2HG GLN 24 1.913 -4.302 10.581 180 2HG GLN 24 1HG GLN 24 0.881 -3.183 11.468 181 1HE2 GLN 24 1HE2 GLN 24 1.928 -3.499 13.531 182 2HE2 GLN 24 2HE2 GLN 24 1.848 -4.972 14.371 183 H THR 25 HN THR 25 -1.618 -4.478 7.946 184 HA THR 25 HA THR 25 -3.625 -6.491 8.059 185 HB THR 25 HB THR 25 -3.332 -4.532 5.780 186 HG1 THR 25 HG1 THR 25 -3.911 -2.954 7.093 187 1HG2 THR 25 2HG2 THR 25 -5.560 -6.030 7.118 188 2HG2 THR 25 1HG2 THR 25 -5.901 -4.490 6.328 189 3HG2 THR 25 3HG2 THR 25 -5.228 -5.829 5.398 190 H ALA 26 HN ALA 26 -1.452 -5.695 5.326 191 HA ALA 26 HA ALA 26 -2.248 -7.816 3.628 192 1HB ALA 26 3HB ALA 26 -0.612 -5.746 3.278 193 2HB ALA 26 2HB ALA 26 0.616 -6.957 3.649 194 3HB ALA 26 1HB ALA 26 -0.474 -7.195 2.282 195 H SER 27 HN SER 27 -0.170 -7.829 6.442 196 HA SER 27 HA SER 27 1.286 -10.233 5.917 197 1HB SER 27 2HB SER 27 1.832 -8.668 7.768 198 2HB SER 27 1HB SER 27 0.349 -9.145 8.591 199 HG SER 27 HG SER 27 1.752 -10.532 9.426 200 H LYS 28 HN LYS 28 -1.905 -9.655 7.347 201 HA LYS 28 HA LYS 28 -2.432 -12.338 8.175 202 1HB LYS 28 2HB LYS 28 -4.395 -10.220 7.246 203 2HB LYS 28 1HB LYS 28 -4.798 -11.660 8.180 204 1HG LYS 28 2HG LYS 28 -2.762 -9.651 9.154 205 2HG LYS 28 1HG LYS 28 -4.482 -9.478 9.505 206 1HD LYS 28 2HD LYS 28 -3.143 -12.107 10.049 207 2HD LYS 28 1HD LYS 28 -2.921 -10.779 11.188 208 1HE LYS 28 2HE LYS 28 -4.860 -11.566 12.095 209 2HE LYS 28 1HE LYS 28 -5.614 -10.649 10.791 210 1HZ LYS 28 3HZ LYS 28 -4.714 -13.398 10.280 211 2HZ LYS 28 2HZ LYS 28 -6.172 -13.148 11.117 212 3HZ LYS 28 1HZ LYS 28 -5.970 -12.524 9.550 213 H TYR 29 HN TYR 29 -2.523 -10.803 5.027 214 HA TYR 29 HA TYR 29 -4.042 -13.040 3.846 215 1HB TYR 29 2HB TYR 29 -2.841 -10.524 2.645 216 2HB TYR 29 1HB TYR 29 -3.683 -11.756 1.702 217 HD1 TYR 29 2HD TYR 29 -6.075 -12.309 2.209 218 HD2 TYR 29 1HD TYR 29 -4.061 -8.969 4.010 219 HE1 TYR 29 2HE TYR 29 -8.263 -11.344 2.864 220 HE2 TYR 29 1HE TYR 29 -6.250 -8.004 4.666 221 HH TYR 29 HH TYR 29 -8.757 -9.271 5.104 222 H ASP 30 HN ASP 30 -3.075 -14.808 3.054 223 HA ASP 30 HA ASP 30 -0.218 -15.158 3.129 224 1HB ASP 30 2HB ASP 30 -2.347 -16.829 1.756 225 2HB ASP 30 1HB ASP 30 -0.688 -17.341 2.070 226 H ALA 31 HN ALA 31 -2.439 -14.057 0.666 227 HA ALA 31 HA ALA 31 -0.932 -14.618 -1.672 228 1HB ALA 31 1HB ALA 31 -3.278 -13.698 -1.605 229 2HB ALA 31 3HB ALA 31 -2.592 -12.131 -1.173 230 3HB ALA 31 2HB ALA 31 -2.213 -12.860 -2.734 231 H ASP 32 HN ASP 32 0.706 -13.480 -2.738 232 HA ASP 32 HA ASP 32 2.318 -11.707 -1.015 233 1HB ASP 32 2HB ASP 32 2.837 -12.937 -3.737 234 2HB ASP 32 1HB ASP 32 3.988 -11.907 -2.884 235 H VAL 33 HN VAL 33 1.253 -9.719 -1.024 236 HA VAL 33 HA VAL 33 0.509 -8.496 -3.607 237 HB VAL 33 HB VAL 33 -0.478 -6.710 -2.253 238 1HG1 VAL 33 3HG1 VAL 33 -1.334 -9.338 -2.310 239 2HG1 VAL 33 2HG1 VAL 33 -1.361 -8.975 -0.583 240 3HG1 VAL 33 1HG1 VAL 33 -2.281 -7.977 -1.713 241 1HG2 VAL 33 3HG2 VAL 33 0.758 -8.177 0.098 242 2HG2 VAL 33 2HG2 VAL 33 1.242 -6.591 -0.499 243 3HG2 VAL 33 1HG2 VAL 33 -0.351 -6.813 0.222 244 H ASN 34 HN ASN 34 1.776 -7.014 -4.646 245 HA ASN 34 HA ASN 34 4.162 -5.982 -3.161 246 1HB ASN 34 2HB ASN 34 3.926 -6.793 -6.071 247 2HB ASN 34 1HB ASN 34 5.341 -6.012 -5.361 248 1HD2 ASN 34 2HD2 ASN 34 6.484 -9.338 -4.809 249 2HD2 ASN 34 1HD2 ASN 34 6.676 -7.939 -5.751 250 H LEU 35 HN LEU 35 4.382 -3.813 -3.128 251 HA LEU 35 HA LEU 35 2.445 -2.151 -4.624 252 1HB LEU 35 2HB LEU 35 2.899 -1.723 -2.201 253 2HB LEU 35 1HB LEU 35 4.572 -1.341 -2.611 254 HG LEU 35 HG LEU 35 3.590 0.388 -4.248 255 1HD1 LEU 35 1HD1 LEU 35 1.171 -0.485 -2.701 256 2HD1 LEU 35 3HD1 LEU 35 1.303 1.194 -3.222 257 3HD1 LEU 35 2HD1 LEU 35 1.317 -0.102 -4.417 258 1HD2 LEU 35 2HD2 LEU 35 4.639 0.787 -1.927 259 2HD2 LEU 35 1HD2 LEU 35 3.594 2.061 -2.556 260 3HD2 LEU 35 3HD2 LEU 35 2.984 0.939 -1.338 261 H GLU 36 HN GLU 36 3.114 -0.572 -6.161 262 HA GLU 36 HA GLU 36 5.973 -0.780 -7.030 263 1HB GLU 36 2HB GLU 36 4.192 -1.897 -8.529 264 2HB GLU 36 1HB GLU 36 3.681 -0.255 -8.922 265 1HG GLU 36 2HG GLU 36 5.855 0.296 -9.799 266 2HG GLU 36 1HG GLU 36 6.540 -1.214 -9.196 267 H TYR 37 HN TYR 37 7.014 1.148 -7.053 268 HA TYR 37 HA TYR 37 5.645 3.621 -7.798 269 1HB TYR 37 2HB TYR 37 5.009 3.393 -5.403 270 2HB TYR 37 1HB TYR 37 6.718 3.319 -4.973 271 HD1 TYR 37 1HD TYR 37 4.589 5.463 -7.218 272 HD2 TYR 37 2HD TYR 37 7.556 5.309 -4.115 273 HE1 TYR 37 1HE TYR 37 4.702 7.941 -7.201 274 HE2 TYR 37 2HE TYR 37 7.667 7.785 -4.097 275 HH TYR 37 HH TYR 37 7.116 9.659 -5.981 276 H ASN 38 HN ASN 38 7.117 5.071 -8.614 277 HA ASN 38 HA ASN 38 9.171 5.918 -9.350 278 1HB ASN 38 2HB ASN 38 9.383 5.734 -6.645 279 2HB ASN 38 1HB ASN 38 10.708 4.678 -7.135 280 1HD2 ASN 38 2HD2 ASN 38 12.090 7.556 -9.144 281 2HD2 ASN 38 1HD2 ASN 38 11.448 6.042 -9.566 282 H GLY 39 HN GLY 39 8.347 3.329 -10.312 283 1HA GLY 39 2HA GLY 39 9.227 1.539 -11.549 284 2HA GLY 39 1HA GLY 39 10.729 2.460 -11.603 285 H LYS 40 HN LYS 40 9.259 1.487 -8.574 286 HA LYS 40 HA LYS 40 11.379 -0.597 -8.244 287 1HB LYS 40 2HB LYS 40 10.693 1.740 -6.502 288 2HB LYS 40 1HB LYS 40 11.190 0.237 -5.723 289 1HG LYS 40 2HG LYS 40 13.269 0.211 -6.974 290 2HG LYS 40 1HG LYS 40 12.761 1.609 -7.923 291 1HD LYS 40 2HD LYS 40 13.122 3.091 -6.193 292 2HD LYS 40 1HD LYS 40 12.771 1.889 -4.951 293 1HE LYS 40 2HE LYS 40 14.911 0.912 -5.119 294 2HE LYS 40 1HE LYS 40 15.217 1.644 -6.694 295 1HZ LYS 40 1HZ LYS 40 15.222 3.825 -5.604 296 2HZ LYS 40 3HZ LYS 40 15.026 3.071 -4.097 297 3HZ LYS 40 2HZ LYS 40 16.440 2.806 -5.000 298 H THR 41 HN THR 41 10.295 -2.497 -8.063 299 HA THR 41 HA THR 41 7.576 -2.521 -6.890 300 HB THR 41 HB THR 41 9.140 -4.812 -8.113 301 HG1 THR 41 HG1 THR 41 7.192 -3.113 -9.276 302 1HG2 THR 41 3HG2 THR 41 6.953 -4.989 -6.557 303 2HG2 THR 41 2HG2 THR 41 6.169 -4.651 -8.101 304 3HG2 THR 41 1HG2 THR 41 7.221 -6.057 -7.935 305 H VAL 42 HN VAL 42 8.039 -2.247 -4.665 306 HA VAL 42 HA VAL 42 9.728 -4.354 -3.392 307 HB VAL 42 HB VAL 42 9.179 -2.876 -1.273 308 1HG1 VAL 42 1HG1 VAL 42 11.347 -3.161 -2.899 309 2HG1 VAL 42 3HG1 VAL 42 11.076 -1.420 -2.997 310 3HG1 VAL 42 2HG1 VAL 42 11.320 -2.190 -1.427 311 1HG2 VAL 42 1HG2 VAL 42 7.579 -1.403 -2.538 312 2HG2 VAL 42 3HG2 VAL 42 8.882 -0.516 -1.747 313 3HG2 VAL 42 2HG2 VAL 42 8.945 -0.811 -3.485 314 H ASN 43 HN ASN 43 8.858 -5.697 -1.795 315 HA ASN 43 HA ASN 43 6.041 -6.315 -2.032 316 1HB ASN 43 2HB ASN 43 8.028 -7.870 -1.353 317 2HB ASN 43 1HB ASN 43 7.789 -7.201 0.262 318 1HD2 ASN 43 2HD2 ASN 43 5.601 -10.274 -0.333 319 2HD2 ASN 43 1HD2 ASN 43 7.250 -10.003 -0.631 320 H LEU 44 HN LEU 44 4.370 -5.813 -0.513 321 HA LEU 44 HA LEU 44 4.663 -3.344 0.901 322 1HB LEU 44 2HB LEU 44 2.479 -4.336 0.098 323 2HB LEU 44 1HB LEU 44 2.556 -5.423 1.489 324 HG LEU 44 HG LEU 44 3.014 -3.160 2.796 325 1HD1 LEU 44 2HD1 LEU 44 1.649 -2.297 0.261 326 2HD1 LEU 44 1HD1 LEU 44 1.534 -1.368 1.760 327 3HD1 LEU 44 3HD1 LEU 44 3.109 -1.639 1.006 328 1HD2 LEU 44 3HD2 LEU 44 0.620 -4.668 2.094 329 2HD2 LEU 44 2HD2 LEU 44 1.146 -4.037 3.653 330 3HD2 LEU 44 1HD2 LEU 44 0.269 -2.997 2.533 331 H LYS 45 HN LYS 45 5.667 -6.509 1.777 332 HA LYS 45 HA LYS 45 5.517 -5.975 4.669 333 1HB LYS 45 2HB LYS 45 6.720 -8.258 3.067 334 2HB LYS 45 1HB LYS 45 6.719 -8.181 4.828 335 1HG LYS 45 2HG LYS 45 4.617 -8.984 4.900 336 2HG LYS 45 1HG LYS 45 4.047 -7.662 3.883 337 1HD LYS 45 2HD LYS 45 4.805 -8.941 1.871 338 2HD LYS 45 1HD LYS 45 5.234 -10.285 2.930 339 1HE LYS 45 2HE LYS 45 2.740 -9.964 3.785 340 2HE LYS 45 1HE LYS 45 2.528 -9.245 2.188 341 1HZ LYS 45 2HZ LYS 45 3.659 -11.309 1.314 342 2HZ LYS 45 1HZ LYS 45 3.422 -11.985 2.855 343 3HZ LYS 45 3HZ LYS 45 2.085 -11.515 1.922 344 H SER 46 HN SER 46 6.901 -3.930 3.503 345 HA SER 46 HA SER 46 9.624 -4.347 4.565 346 1HB SER 46 2HB SER 46 9.968 -4.932 2.229 347 2HB SER 46 1HB SER 46 9.085 -3.506 1.688 348 HG SER 46 HG SER 46 11.541 -3.606 3.117 349 H ILE 47 HN ILE 47 8.840 -2.874 6.155 350 HA ILE 47 HA ILE 47 7.684 -0.328 5.559 351 HB ILE 47 HB ILE 47 9.307 -1.089 8.001 352 1HG1 ILE 47 2HG1 ILE 47 6.364 -1.480 7.333 353 2HG1 ILE 47 1HG1 ILE 47 7.551 -2.749 7.610 354 1HG2 ILE 47 3HG2 ILE 47 8.399 1.376 7.306 355 2HG2 ILE 47 2HG2 ILE 47 6.965 0.741 8.112 356 3HG2 ILE 47 1HG2 ILE 47 8.499 0.825 8.978 357 1HD1 ILE 47 2HD1 ILE 47 7.854 -1.429 9.922 358 2HD1 ILE 47 1HD1 ILE 47 6.180 -0.988 9.582 359 3HD1 ILE 47 3HD1 ILE 47 6.634 -2.686 9.715 360 H MET 48 HN MET 48 11.048 -1.345 6.109 361 HA MET 48 HA MET 48 12.133 1.331 5.891 362 1HB MET 48 2HB MET 48 13.291 -0.563 7.045 363 2HB MET 48 1HB MET 48 13.532 -1.326 5.474 364 1HG MET 48 2HG MET 48 15.547 -0.153 5.844 365 2HG MET 48 1HG MET 48 14.627 0.908 4.776 366 1HE MET 48 3HE MET 48 16.977 1.798 6.162 367 2HE MET 48 2HE MET 48 16.817 2.806 7.597 368 3HE MET 48 1HE MET 48 16.888 1.054 7.764 369 H GLY 49 HN GLY 49 11.305 -1.197 3.608 370 1HA GLY 49 2HA GLY 49 12.857 -0.116 1.403 371 2HA GLY 49 1HA GLY 49 11.591 -1.336 1.274 372 H VAL 50 HN VAL 50 9.710 0.549 2.767 373 HA VAL 50 HA VAL 50 8.691 1.892 0.375 374 HB VAL 50 HB VAL 50 7.682 2.017 3.235 375 1HG1 VAL 50 1HG1 VAL 50 6.954 3.711 1.346 376 2HG1 VAL 50 3HG1 VAL 50 6.005 2.342 0.766 377 3HG1 VAL 50 2HG1 VAL 50 5.735 2.978 2.388 378 1HG2 VAL 50 3HG2 VAL 50 7.879 -0.261 1.748 379 2HG2 VAL 50 2HG2 VAL 50 6.593 0.029 2.918 380 3HG2 VAL 50 1HG2 VAL 50 6.313 0.339 1.204 381 H VAL 51 HN VAL 51 10.382 2.804 3.328 382 HA VAL 51 HA VAL 51 9.956 5.662 2.991 383 HB VAL 51 HB VAL 51 12.108 4.248 4.594 384 1HG1 VAL 51 2HG1 VAL 51 11.012 7.045 4.469 385 2HG1 VAL 51 1HG1 VAL 51 11.659 6.429 5.990 386 3HG1 VAL 51 3HG1 VAL 51 12.691 6.512 4.562 387 1HG2 VAL 51 1HG2 VAL 51 9.189 4.642 5.031 388 2HG2 VAL 51 3HG2 VAL 51 10.255 3.374 5.633 389 3HG2 VAL 51 2HG2 VAL 51 10.239 4.954 6.414 390 H SER 52 HN SER 52 12.330 3.333 1.870 391 HA SER 52 HA SER 52 14.423 5.142 1.170 392 1HB SER 52 2HB SER 52 14.978 3.331 -0.563 393 2HB SER 52 1HB SER 52 14.946 2.825 1.124 394 HG SER 52 HG SER 52 13.111 1.766 0.786 395 H LEU 53 HN LEU 53 11.375 4.383 -0.391 396 HA LEU 53 HA LEU 53 12.061 5.521 -2.967 397 1HB LEU 53 2HB LEU 53 9.487 4.749 -1.605 398 2HB LEU 53 1HB LEU 53 9.459 5.633 -3.131 399 HG LEU 53 HG LEU 53 11.148 3.810 -3.936 400 1HD1 LEU 53 2HD1 LEU 53 9.922 2.581 -1.461 401 2HD1 LEU 53 1HD1 LEU 53 10.570 1.596 -2.773 402 3HD1 LEU 53 3HD1 LEU 53 11.630 2.694 -1.887 403 1HD2 LEU 53 3HD2 LEU 53 8.198 3.310 -3.441 404 2HD2 LEU 53 2HD2 LEU 53 8.941 3.981 -4.894 405 3HD2 LEU 53 1HD2 LEU 53 9.195 2.286 -4.476 406 H GLY 54 HN GLY 54 9.504 6.760 -0.804 407 1HA GLY 54 2HA GLY 54 9.818 9.034 0.228 408 2HA GLY 54 1HA GLY 54 10.592 9.508 -1.283 409 H ILE 55 HN ILE 55 7.544 7.820 -0.445 410 HA ILE 55 HA ILE 55 6.125 9.082 -2.645 411 HB ILE 55 HB ILE 55 5.045 7.571 -0.240 412 1HG1 ILE 55 2HG1 ILE 55 5.291 6.400 -2.982 413 2HG1 ILE 55 1HG1 ILE 55 6.754 6.524 -2.005 414 1HG2 ILE 55 3HG2 ILE 55 3.403 9.001 -1.521 415 2HG2 ILE 55 2HG2 ILE 55 3.783 8.050 -2.957 416 3HG2 ILE 55 1HG2 ILE 55 3.037 7.276 -1.558 417 1HD1 ILE 55 1HD1 ILE 55 5.548 5.351 -0.148 418 2HD1 ILE 55 3HD1 ILE 55 4.179 5.121 -1.236 419 3HD1 ILE 55 2HD1 ILE 55 5.729 4.358 -1.595 420 H ALA 56 HN ALA 56 4.477 10.683 -2.470 421 HA ALA 56 HA ALA 56 4.425 12.198 0.102 422 1HB ALA 56 2HB ALA 56 5.760 13.026 -2.188 423 2HB ALA 56 1HB ALA 56 4.220 13.882 -2.288 424 3HB ALA 56 3HB ALA 56 5.245 14.073 -0.865 425 H LYS 57 HN LYS 57 2.690 14.247 -0.918 426 HA LYS 57 HA LYS 57 0.153 12.753 -0.912 427 1HB LYS 57 2HB LYS 57 -0.857 15.047 -0.764 428 2HB LYS 57 1HB LYS 57 0.303 14.710 0.521 429 1HG LYS 57 2HG LYS 57 1.917 16.125 -0.373 430 2HG LYS 57 1HG LYS 57 1.277 15.990 -2.011 431 1HD LYS 57 2HD LYS 57 -0.853 17.124 -0.776 432 2HD LYS 57 1HD LYS 57 0.453 17.793 0.202 433 1HE LYS 57 2HE LYS 57 0.594 19.357 -1.441 434 2HE LYS 57 1HE LYS 57 1.456 18.105 -2.335 435 1HZ LYS 57 2HZ LYS 57 -0.920 17.371 -2.994 436 2HZ LYS 57 1HZ LYS 57 -1.348 18.961 -2.571 437 3HZ LYS 57 3HZ LYS 57 -0.201 18.687 -3.792 438 H GLY 58 HN GLY 58 1.009 11.951 -3.205 439 1HA GLY 58 2HA GLY 58 -0.708 12.592 -5.218 440 2HA GLY 58 1HA GLY 58 0.527 13.840 -5.396 441 H ALA 59 HN ALA 59 0.558 10.326 -4.701 442 HA ALA 59 HA ALA 59 2.440 10.000 -7.000 443 1HB ALA 59 3HB ALA 59 2.863 9.373 -4.143 444 2HB ALA 59 2HB ALA 59 3.294 8.072 -5.252 445 3HB ALA 59 1HB ALA 59 4.045 9.659 -5.418 446 H GLU 60 HN GLU 60 1.816 8.376 -8.349 447 HA GLU 60 HA GLU 60 -0.538 6.765 -7.631 448 1HB GLU 60 2HB GLU 60 1.140 6.755 -10.162 449 2HB GLU 60 1HB GLU 60 -0.436 5.990 -9.957 450 1HG GLU 60 2HG GLU 60 -1.180 7.969 -10.837 451 2HG GLU 60 1HG GLU 60 -1.054 8.496 -9.157 452 H ILE 61 HN ILE 61 -0.440 4.706 -6.900 453 HA ILE 61 HA ILE 61 2.150 3.233 -7.150 454 HB ILE 61 HB ILE 61 1.539 2.160 -4.955 455 1HG1 ILE 61 2HG1 ILE 61 -0.540 4.375 -4.889 456 2HG1 ILE 61 1HG1 ILE 61 -0.903 2.664 -5.103 457 1HG2 ILE 61 2HG2 ILE 61 2.903 4.426 -5.408 458 2HG2 ILE 61 1HG2 ILE 61 1.594 5.097 -4.435 459 3HG2 ILE 61 3HG2 ILE 61 2.617 3.821 -3.777 460 1HD1 ILE 61 2HD1 ILE 61 0.800 3.322 -2.768 461 2HD1 ILE 61 1HD1 ILE 61 -0.869 3.886 -2.679 462 3HD1 ILE 61 3HD1 ILE 61 -0.528 2.170 -2.906 463 H THR 62 HN THR 62 1.984 1.181 -7.981 464 HA THR 62 HA THR 62 -0.764 0.201 -8.604 465 HB THR 62 HB THR 62 1.793 -0.864 -9.802 466 HG1 THR 62 HG1 THR 62 0.236 1.344 -10.664 467 1HG2 THR 62 2HG2 THR 62 -1.137 -0.877 -10.475 468 2HG2 THR 62 1HG2 THR 62 0.066 -1.107 -11.743 469 3HG2 THR 62 3HG2 THR 62 -0.015 -2.233 -10.389 470 H ILE 63 HN ILE 63 -1.484 -1.355 -7.252 471 HA ILE 63 HA ILE 63 0.504 -3.078 -5.856 472 HB ILE 63 HB ILE 63 -2.437 -2.557 -5.297 473 1HG1 ILE 63 2HG1 ILE 63 0.064 -1.756 -3.776 474 2HG1 ILE 63 1HG1 ILE 63 -0.863 -0.678 -4.815 475 1HG2 ILE 63 2HG2 ILE 63 -0.413 -4.408 -4.052 476 2HG2 ILE 63 1HG2 ILE 63 -1.707 -3.723 -3.068 477 3HG2 ILE 63 3HG2 ILE 63 -2.098 -4.725 -4.467 478 1HD1 ILE 63 3HD1 ILE 63 -2.694 -1.936 -3.013 479 2HD1 ILE 63 2HD1 ILE 63 -1.335 -1.321 -2.071 480 3HD1 ILE 63 1HD1 ILE 63 -2.254 -0.231 -3.107 481 H SER 64 HN SER 64 0.156 -5.382 -5.819 482 HA SER 64 HA SER 64 -1.845 -6.503 -7.678 483 1HB SER 64 2HB SER 64 0.121 -7.909 -8.685 484 2HB SER 64 1HB SER 64 -0.167 -6.281 -9.293 485 HG SER 64 HG SER 64 1.992 -6.439 -8.810 486 H ALA 65 HN ALA 65 -2.783 -7.801 -6.146 487 HA ALA 65 HA ALA 65 -1.098 -9.367 -4.285 488 1HB ALA 65 2HB ALA 65 -3.185 -8.308 -3.461 489 2HB ALA 65 1HB ALA 65 -4.116 -9.267 -4.613 490 3HB ALA 65 3HB ALA 65 -3.247 -10.064 -3.302 491 H SER 66 HN SER 66 -0.523 -11.459 -4.726 492 HA SER 66 HA SER 66 -2.131 -12.966 -6.742 493 1HB SER 66 2HB SER 66 0.781 -13.475 -6.696 494 2HB SER 66 1HB SER 66 -0.330 -13.449 -8.056 495 HG SER 66 HG SER 66 0.185 -11.442 -8.373 496 H GLY 67 HN GLY 67 -3.038 -14.533 -5.477 497 1HA GLY 67 2HA GLY 67 -1.502 -16.681 -4.444 498 2HA GLY 67 1HA GLY 67 -1.887 -15.610 -3.097 499 H ALA 68 HN ALA 68 -3.340 -17.012 -2.073 500 HA ALA 68 HA ALA 68 -5.522 -18.296 -3.505 501 1HB ALA 68 1HB ALA 68 -4.663 -18.037 -0.653 502 2HB ALA 68 3HB ALA 68 -6.339 -18.483 -0.972 503 3HB ALA 68 2HB ALA 68 -5.027 -19.489 -1.586 504 H ASP 69 HN ASP 69 -5.751 -15.991 -0.783 505 HA ASP 69 HA ASP 69 -8.219 -14.899 -2.032 506 1HB ASP 69 2HB ASP 69 -8.530 -13.809 0.229 507 2HB ASP 69 1HB ASP 69 -8.522 -15.572 0.267 508 H GLU 70 HN GLU 70 -6.094 -14.075 -3.443 509 HA GLU 70 HA GLU 70 -4.672 -11.786 -2.550 510 1HB GLU 70 2HB GLU 70 -4.384 -11.271 -4.964 511 2HB GLU 70 1HB GLU 70 -4.060 -12.966 -4.603 512 1HG GLU 70 2HG GLU 70 -6.593 -13.306 -5.185 513 2HG GLU 70 1HG GLU 70 -6.431 -11.753 -6.002 514 H ASN 71 HN ASN 71 -7.828 -12.024 -4.188 515 HA ASN 71 HA ASN 71 -8.289 -9.225 -4.468 516 1HB ASN 71 2HB ASN 71 -10.000 -11.673 -4.429 517 2HB ASN 71 1HB ASN 71 -10.797 -10.109 -4.248 518 1HD2 ASN 71 2HD2 ASN 71 -9.278 -11.191 -7.860 519 2HD2 ASN 71 1HD2 ASN 71 -9.124 -12.204 -6.506 520 H ASP 72 HN ASP 72 -8.622 -11.382 -1.723 521 HA ASP 72 HA ASP 72 -10.228 -9.541 -0.138 522 1HB ASP 72 2HB ASP 72 -8.562 -11.898 0.783 523 2HB ASP 72 1HB ASP 72 -9.863 -11.115 1.681 524 H ALA 73 HN ALA 73 -6.813 -9.968 -0.727 525 HA ALA 73 HA ALA 73 -5.991 -8.524 1.680 526 1HB ALA 73 2HB ALA 73 -4.534 -10.234 0.624 527 2HB ALA 73 1HB ALA 73 -4.392 -9.204 -0.802 528 3HB ALA 73 3HB ALA 73 -3.740 -8.662 0.744 529 H LEU 74 HN LEU 74 -6.107 -7.759 -1.826 530 HA LEU 74 HA LEU 74 -5.097 -5.110 -1.551 531 1HB LEU 74 2HB LEU 74 -6.079 -4.687 -3.778 532 2HB LEU 74 1HB LEU 74 -5.207 -6.214 -3.723 533 HG LEU 74 HG LEU 74 -7.641 -7.122 -3.059 534 1HD1 LEU 74 1HD1 LEU 74 -8.275 -4.513 -3.513 535 2HD1 LEU 74 3HD1 LEU 74 -8.491 -5.173 -5.135 536 3HD1 LEU 74 2HD1 LEU 74 -9.403 -5.842 -3.782 537 1HD2 LEU 74 3HD2 LEU 74 -6.303 -6.635 -5.692 538 2HD2 LEU 74 2HD2 LEU 74 -6.631 -8.159 -4.870 539 3HD2 LEU 74 1HD2 LEU 74 -7.936 -7.299 -5.687 540 H ASN 75 HN ASN 75 -8.495 -6.263 -1.575 541 HA ASN 75 HA ASN 75 -9.552 -3.593 -1.233 542 1HB ASN 75 2HB ASN 75 -11.694 -4.703 -0.728 543 2HB ASN 75 1HB ASN 75 -10.950 -5.395 -2.166 544 1HD2 ASN 75 2HD2 ASN 75 -12.065 -8.165 0.131 545 2HD2 ASN 75 1HD2 ASN 75 -12.866 -6.848 -0.579 546 H ALA 76 HN ALA 76 -8.270 -6.013 0.940 547 HA ALA 76 HA ALA 76 -9.454 -5.091 3.377 548 1HB ALA 76 2HB ALA 76 -7.367 -6.923 2.592 549 2HB ALA 76 1HB ALA 76 -6.793 -5.931 3.931 550 3HB ALA 76 3HB ALA 76 -8.273 -6.872 4.103 551 H LEU 77 HN LEU 77 -6.145 -4.431 2.144 552 HA LEU 77 HA LEU 77 -5.672 -2.232 3.912 553 1HB LEU 77 2HB LEU 77 -4.456 -2.641 1.166 554 2HB LEU 77 1HB LEU 77 -3.766 -1.735 2.512 555 HG LEU 77 HG LEU 77 -4.345 -4.327 3.523 556 1HD1 LEU 77 2HD1 LEU 77 -4.164 -4.616 0.808 557 2HD1 LEU 77 1HD1 LEU 77 -2.480 -4.823 1.285 558 3HD1 LEU 77 3HD1 LEU 77 -3.725 -5.868 1.969 559 1HD2 LEU 77 3HD2 LEU 77 -2.367 -2.518 3.756 560 2HD2 LEU 77 2HD2 LEU 77 -2.160 -4.206 4.219 561 3HD2 LEU 77 1HD2 LEU 77 -1.583 -3.645 2.652 562 H GLU 78 HN GLU 78 -7.465 -2.477 0.921 563 HA GLU 78 HA GLU 78 -7.345 0.235 0.057 564 1HB GLU 78 2HB GLU 78 -8.293 -1.601 -1.303 565 2HB GLU 78 1HB GLU 78 -9.643 -1.734 -0.179 566 1HG GLU 78 2HG GLU 78 -9.614 0.975 -0.817 567 2HG GLU 78 1HG GLU 78 -9.203 0.195 -2.343 568 H GLU 79 HN GLU 79 -9.808 -1.358 2.152 569 HA GLU 79 HA GLU 79 -11.218 1.077 2.700 570 1HB GLU 79 2HB GLU 79 -12.384 -0.148 4.419 571 2HB GLU 79 1HB GLU 79 -12.130 -1.247 3.069 572 1HG GLU 79 2HG GLU 79 -9.847 -1.598 4.617 573 2HG GLU 79 1HG GLU 79 -11.118 -1.401 5.816 574 H THR 80 HN THR 80 -8.363 -0.381 4.122 575 HA THR 80 HA THR 80 -8.311 1.175 6.544 576 HB THR 80 HB THR 80 -5.951 0.075 4.984 577 HG1 THR 80 HG1 THR 80 -6.880 -1.745 5.442 578 1HG2 THR 80 2HG2 THR 80 -6.370 0.961 7.843 579 2HG2 THR 80 1HG2 THR 80 -5.032 -0.085 7.368 580 3HG2 THR 80 3HG2 THR 80 -5.164 1.537 6.691 581 H MET 81 HN MET 81 -7.228 1.757 3.249 582 HA MET 81 HA MET 81 -5.743 4.172 3.826 583 1HB MET 81 2HB MET 81 -6.755 2.781 1.381 584 2HB MET 81 1HB MET 81 -6.313 4.480 1.235 585 1HG MET 81 2HG MET 81 -4.405 2.719 2.694 586 2HG MET 81 1HG MET 81 -4.515 2.495 0.948 587 1HE MET 81 2HE MET 81 -1.994 3.274 2.510 588 2HE MET 81 1HE MET 81 -1.928 3.203 0.751 589 3HE MET 81 3HE MET 81 -1.273 4.604 1.608 590 H LYS 82 HN LYS 82 -9.110 3.429 3.192 591 HA LYS 82 HA LYS 82 -9.824 6.252 2.773 592 1HB LYS 82 2HB LYS 82 -11.321 3.646 2.788 593 2HB LYS 82 1HB LYS 82 -12.205 5.169 2.896 594 1HG LYS 82 2HG LYS 82 -11.670 5.791 0.751 595 2HG LYS 82 1HG LYS 82 -10.095 4.998 0.804 596 1HD LYS 82 2HD LYS 82 -10.978 2.908 0.267 597 2HD LYS 82 1HD LYS 82 -12.588 3.325 0.856 598 1HE LYS 82 2HE LYS 82 -13.157 4.457 -1.080 599 2HE LYS 82 1HE LYS 82 -11.485 4.880 -1.448 600 1HZ LYS 82 1HZ LYS 82 -12.529 2.108 -1.571 601 2HZ LYS 82 3HZ LYS 82 -12.485 3.144 -2.913 602 3HZ LYS 82 2HZ LYS 82 -11.038 2.681 -2.152 603 H SER 83 HN SER 83 -9.555 4.060 5.449 604 HA SER 83 HA SER 83 -11.498 5.369 7.162 605 1HB SER 83 2HB SER 83 -10.040 4.136 8.966 606 2HB SER 83 1HB SER 83 -11.027 3.189 7.857 607 HG SER 83 HG SER 83 -8.513 2.899 8.217 608 H GLU 84 HN GLU 84 -7.938 5.207 7.533 609 HA GLU 84 HA GLU 84 -7.804 7.484 9.259 610 1HB GLU 84 2HB GLU 84 -5.787 5.988 7.597 611 2HB GLU 84 1HB GLU 84 -5.325 7.471 8.433 612 1HG GLU 84 2HG GLU 84 -6.539 6.288 10.480 613 2HG GLU 84 1HG GLU 84 -6.138 4.828 9.574 614 H GLY 85 HN GLY 85 -7.823 7.168 5.765 615 1HA GLY 85 2HA GLY 85 -8.443 8.986 4.300 616 2HA GLY 85 1HA GLY 85 -7.949 10.127 5.552 617 H LEU 86 HN LEU 86 -6.050 7.356 4.476 618 HA LEU 86 HA LEU 86 -3.758 9.103 3.958 619 1HB LEU 86 2HB LEU 86 -4.153 6.110 3.711 620 2HB LEU 86 1HB LEU 86 -2.621 6.927 3.401 621 HG LEU 86 HG LEU 86 -4.159 7.110 6.007 622 1HD1 LEU 86 3HD1 LEU 86 -3.087 4.839 5.298 623 2HD1 LEU 86 2HD1 LEU 86 -1.556 5.658 5.603 624 3HD1 LEU 86 1HD1 LEU 86 -2.733 5.477 6.904 625 1HD2 LEU 86 3HD2 LEU 86 -1.578 8.237 4.958 626 2HD2 LEU 86 2HD2 LEU 86 -2.824 9.024 5.928 627 3HD2 LEU 86 1HD2 LEU 86 -1.722 7.869 6.677 628 H GLY 87 HN GLY 87 -5.731 6.835 2.012 629 1HA GLY 87 2HA GLY 87 -5.493 8.560 -0.331 630 2HA GLY 87 1HA GLY 87 -4.575 7.061 -0.480 631 H GLU 88 HN GLU 88 -6.408 7.134 -2.321 632 HA GLU 88 HA GLU 88 -8.468 5.222 -1.407 633 1HB GLU 88 2HB GLU 88 -10.240 6.508 -2.638 634 2HB GLU 88 1HB GLU 88 -9.638 7.340 -1.205 635 1HG GLU 88 2HG GLU 88 -8.050 8.604 -2.689 636 2HG GLU 88 1HG GLU 88 -8.844 7.869 -4.083 No H/Q in entry = 636 Start of MODEL 16 1 1H ALA 2 1HT ALA 2 -5.606 -9.381 -10.820 2 2H ALA 2 3HT ALA 2 -4.775 -10.707 -10.164 3 3H ALA 2 2HT ALA 2 -6.442 -10.818 -10.471 4 HA ALA 2 HA ALA 2 -6.987 -9.349 -8.737 5 1HB ALA 2 2HB ALA 2 -6.292 -11.688 -8.093 6 2HB ALA 2 1HB ALA 2 -4.689 -11.049 -7.728 7 3HB ALA 2 3HB ALA 2 -6.090 -10.498 -6.808 8 H GLN 3 HN GLN 3 -6.418 -7.183 -8.932 9 HA GLN 3 HA GLN 3 -4.237 -6.212 -7.328 10 1HB GLN 3 2HB GLN 3 -2.975 -5.105 -9.214 11 2HB GLN 3 1HB GLN 3 -2.811 -6.859 -9.166 12 1HG GLN 3 2HG GLN 3 -4.741 -6.967 -10.823 13 2HG GLN 3 1HG GLN 3 -4.567 -5.220 -11.006 14 1HE2 GLN 3 2HE2 GLN 3 -1.943 -7.693 -12.850 15 2HE2 GLN 3 1HE2 GLN 3 -3.248 -8.295 -11.947 16 H LYS 4 HN LYS 4 -4.294 -3.891 -7.149 17 HA LYS 4 HA LYS 4 -6.414 -2.489 -8.685 18 1HB LYS 4 2HB LYS 4 -7.180 -3.507 -6.350 19 2HB LYS 4 1HB LYS 4 -6.375 -2.070 -5.722 20 1HG LYS 4 2HG LYS 4 -7.812 -1.000 -7.792 21 2HG LYS 4 1HG LYS 4 -8.884 -2.300 -7.269 22 1HD LYS 4 2HD LYS 4 -8.499 -1.417 -4.879 23 2HD LYS 4 1HD LYS 4 -7.842 0.027 -5.652 24 1HE LYS 4 2HE LYS 4 -10.625 -1.118 -6.021 25 2HE LYS 4 1HE LYS 4 -10.203 0.395 -5.217 26 1HZ LYS 4 3HZ LYS 4 -9.237 1.138 -7.358 27 2HZ LYS 4 2HZ LYS 4 -9.860 -0.263 -8.090 28 3HZ LYS 4 1HZ LYS 4 -10.914 0.889 -7.421 29 H THR 5 HN THR 5 -6.087 -0.229 -8.786 30 HA THR 5 HA THR 5 -3.342 0.627 -8.074 31 HB THR 5 HB THR 5 -5.467 2.125 -9.635 32 HG1 THR 5 HG1 THR 5 -4.939 0.195 -10.669 33 1HG2 THR 5 3HG2 THR 5 -2.531 2.509 -9.102 34 2HG2 THR 5 2HG2 THR 5 -3.262 3.152 -10.573 35 3HG2 THR 5 1HG2 THR 5 -3.839 3.687 -8.995 36 H PHE 6 HN PHE 6 -3.032 2.735 -7.005 37 HA PHE 6 HA PHE 6 -5.348 3.723 -5.434 38 1HB PHE 6 2HB PHE 6 -2.733 2.726 -4.272 39 2HB PHE 6 1HB PHE 6 -3.864 3.740 -3.377 40 HD1 PHE 6 1HD PHE 6 -3.494 0.475 -5.125 41 HD2 PHE 6 2HD PHE 6 -5.852 2.837 -2.418 42 HE1 PHE 6 1HE PHE 6 -4.829 -1.531 -4.538 43 HE2 PHE 6 2HE PHE 6 -7.185 0.828 -1.832 44 HZ PHE 6 HZ PHE 6 -6.677 -1.353 -2.890 45 H LYS 7 HN LYS 7 -4.577 5.766 -4.167 46 HA LYS 7 HA LYS 7 -2.457 7.217 -5.677 47 1HB LYS 7 2HB LYS 7 -5.347 7.822 -5.575 48 2HB LYS 7 1HB LYS 7 -4.304 9.199 -5.222 49 1HG LYS 7 2HG LYS 7 -3.562 7.483 -7.548 50 2HG LYS 7 1HG LYS 7 -4.963 8.539 -7.734 51 1HD LYS 7 2HD LYS 7 -2.496 9.710 -6.525 52 2HD LYS 7 1HD LYS 7 -2.494 9.406 -8.262 53 1HE LYS 7 2HE LYS 7 -4.554 10.721 -8.513 54 2HE LYS 7 1HE LYS 7 -4.602 10.998 -6.772 55 1HZ LYS 7 3HZ LYS 7 -2.372 12.041 -6.998 56 2HZ LYS 7 2HZ LYS 7 -2.540 11.936 -8.686 57 3HZ LYS 7 1HZ LYS 7 -3.616 12.889 -7.780 58 H VAL 8 HN VAL 8 -1.046 8.057 -4.247 59 HA VAL 8 HA VAL 8 -1.621 8.094 -1.396 60 HB VAL 8 HB VAL 8 0.728 9.365 -2.830 61 1HG1 VAL 8 1HG1 VAL 8 0.400 9.949 -0.435 62 2HG1 VAL 8 3HG1 VAL 8 0.420 8.230 -0.035 63 3HG1 VAL 8 2HG1 VAL 8 1.865 9.000 -0.692 64 1HG2 VAL 8 3HG2 VAL 8 0.457 6.988 -3.498 65 2HG2 VAL 8 2HG2 VAL 8 1.887 7.221 -2.494 66 3HG2 VAL 8 1HG2 VAL 8 0.423 6.527 -1.796 67 H THR 9 HN THR 9 -2.947 9.643 -0.594 68 HA THR 9 HA THR 9 -2.725 12.409 -1.708 69 HB THR 9 HB THR 9 -5.037 11.389 -0.062 70 HG1 THR 9 HG1 THR 9 -4.754 11.283 -2.881 71 1HG2 THR 9 1HG2 THR 9 -4.501 13.881 -0.761 72 2HG2 THR 9 3HG2 THR 9 -5.168 13.365 -2.310 73 3HG2 THR 9 2HG2 THR 9 -6.153 13.267 -0.850 74 H ALA 10 HN ALA 10 -2.205 10.478 1.114 75 HA ALA 10 HA ALA 10 -2.613 12.379 3.184 76 1HB ALA 10 1HB ALA 10 -0.776 10.014 2.866 77 2HB ALA 10 3HB ALA 10 -0.676 11.035 4.300 78 3HB ALA 10 2HB ALA 10 -2.178 10.192 3.923 79 H ASP 11 HN ASP 11 -1.355 14.047 3.981 80 HA ASP 11 HA ASP 11 0.537 15.308 2.229 81 1HB ASP 11 2HB ASP 11 -0.931 16.159 4.351 82 2HB ASP 11 1HB ASP 11 0.648 15.984 5.118 83 H SER 12 HN SER 12 0.927 13.370 5.190 84 HA SER 12 HA SER 12 3.768 13.621 5.385 85 1HB SER 12 2HB SER 12 3.644 11.625 6.815 86 2HB SER 12 1HB SER 12 2.342 12.742 7.211 87 HG SER 12 HG SER 12 0.915 11.451 6.162 88 H GLY 13 HN GLY 13 1.703 11.566 3.427 89 1HA GLY 13 2HA GLY 13 2.407 10.505 1.393 90 2HA GLY 13 1HA GLY 13 4.086 10.682 1.909 91 H ILE 14 HN ILE 14 4.379 8.391 1.390 92 HA ILE 14 HA ILE 14 3.067 6.536 3.328 93 HB ILE 14 HB ILE 14 4.567 5.862 0.777 94 1HG1 ILE 14 2HG1 ILE 14 1.578 5.918 1.303 95 2HG1 ILE 14 1HG1 ILE 14 2.455 7.152 0.397 96 1HG2 ILE 14 1HG2 ILE 14 4.300 4.177 2.768 97 2HG2 ILE 14 3HG2 ILE 14 2.620 4.094 2.239 98 3HG2 ILE 14 2HG2 ILE 14 3.917 3.640 1.133 99 1HD1 ILE 14 3HD1 ILE 14 2.876 4.328 -0.446 100 2HD1 ILE 14 2HD1 ILE 14 1.298 5.033 -0.800 101 3HD1 ILE 14 1HD1 ILE 14 2.763 5.788 -1.426 102 1HN HIP 15 HN HIP 15 4.614 7.320 4.994 103 HA HIP 15 HA HIP 15 7.378 6.324 4.579 104 1HB HIP 15 1HB HIP 15 7.168 8.688 5.273 105 2HB HIP 15 2HB HIP 15 8.045 7.733 6.448 106 HD2 HIP 15 2HD HIP 15 4.224 8.794 6.126 107 HE2 HIP 15 2HE HIP 15 3.478 9.410 8.537 108 HE1 HIP 15 1HE HIP 15 5.393 9.093 10.159 109 H ALA 16 HN ALA 16 7.978 6.015 7.381 110 HA ALA 16 HA ALA 16 7.401 3.305 7.751 111 1HB ALA 16 3HB ALA 16 8.983 5.074 9.021 112 2HB ALA 16 2HB ALA 16 7.703 4.911 10.223 113 3HB ALA 16 1HB ALA 16 8.591 3.486 9.683 114 H ARG 17 HN ARG 17 5.548 6.070 9.105 115 HA ARG 17 HA ARG 17 3.867 4.591 10.822 116 1HB ARG 17 2HB ARG 17 3.657 7.196 9.428 117 2HB ARG 17 1HB ARG 17 2.145 6.505 10.005 118 1HG ARG 17 2HG ARG 17 4.244 6.247 12.010 119 2HG ARG 17 1HG ARG 17 4.034 7.929 11.527 120 1HD ARG 17 2HD ARG 17 2.503 7.556 13.330 121 2HD ARG 17 1HD ARG 17 1.533 7.587 11.857 122 HE ARG 17 HE ARG 17 2.208 4.895 12.262 123 1HH1 ARG 17 HH11 ARG 17 1.987 5.562 15.161 124 2HH1 ARG 17 HH12 ARG 17 0.300 5.323 15.469 125 1HH2 ARG 17 HH21 ARG 17 -0.591 5.386 12.120 126 2HH2 ARG 17 HH22 ARG 17 -1.160 5.224 13.748 127 HA PRO 18 HA PRO 18 0.662 3.896 7.343 128 1HB PRO 18 2HB PRO 18 1.382 4.528 4.760 129 2HB PRO 18 1HB PRO 18 0.505 5.625 5.840 130 1HG PRO 18 2HG PRO 18 3.403 5.649 5.078 131 2HG PRO 18 1HG PRO 18 2.331 7.010 5.455 132 1HD PRO 18 2HD PRO 18 4.200 5.975 7.231 133 2HD PRO 18 1HD PRO 18 2.753 6.877 7.715 134 H ALA 19 HN ALA 19 4.042 3.252 6.975 135 HA ALA 19 HA ALA 19 3.705 0.975 5.165 136 1HB ALA 19 3HB ALA 19 5.825 2.485 5.535 137 2HB ALA 19 2HB ALA 19 6.134 1.396 6.887 138 3HB ALA 19 1HB ALA 19 6.030 0.758 5.245 139 H THR 20 HN THR 20 3.631 1.559 8.604 140 HA THR 20 HA THR 20 4.000 -1.262 9.313 141 HB THR 20 HB THR 20 2.843 0.722 11.224 142 HG1 THR 20 HG1 THR 20 4.727 1.786 11.413 143 1HG2 THR 20 1HG2 THR 20 4.774 -1.584 11.276 144 2HG2 THR 20 3HG2 THR 20 4.726 -0.427 12.606 145 3HG2 THR 20 2HG2 THR 20 3.288 -1.364 12.200 146 H VAL 21 HN VAL 21 1.379 0.999 8.736 147 HA VAL 21 HA VAL 21 -0.717 -0.665 9.867 148 HB VAL 21 HB VAL 21 -1.012 1.466 7.759 149 1HG1 VAL 21 3HG1 VAL 21 -2.906 -0.182 8.598 150 2HG1 VAL 21 2HG1 VAL 21 -2.948 0.917 9.976 151 3HG1 VAL 21 1HG1 VAL 21 -3.255 1.529 8.350 152 1HG2 VAL 21 1HG2 VAL 21 -0.461 1.655 10.699 153 2HG2 VAL 21 3HG2 VAL 21 0.096 2.699 9.391 154 3HG2 VAL 21 2HG2 VAL 21 -1.562 2.829 9.977 155 H LEU 22 HN LEU 22 0.702 -0.192 6.691 156 HA LEU 22 HA LEU 22 -1.216 -1.886 5.317 157 1HB LEU 22 2HB LEU 22 1.478 -0.760 4.522 158 2HB LEU 22 1HB LEU 22 0.410 -1.640 3.422 159 HG LEU 22 HG LEU 22 -0.396 0.855 4.949 160 1HD1 LEU 22 3HD1 LEU 22 0.748 0.416 2.188 161 2HD1 LEU 22 2HD1 LEU 22 -0.329 1.778 2.504 162 3HD1 LEU 22 1HD1 LEU 22 1.191 1.634 3.388 163 1HD2 LEU 22 1HD2 LEU 22 -1.690 -0.851 2.803 164 2HD2 LEU 22 3HD2 LEU 22 -2.327 -0.450 4.398 165 3HD2 LEU 22 2HD2 LEU 22 -2.225 0.793 3.151 166 H VAL 23 HN VAL 23 2.159 -2.288 6.436 167 HA VAL 23 HA VAL 23 2.554 -4.906 5.393 168 HB VAL 23 HB VAL 23 4.389 -3.505 6.299 169 1HG1 VAL 23 1HG1 VAL 23 2.985 -2.704 8.273 170 2HG1 VAL 23 3HG1 VAL 23 3.359 -4.243 9.045 171 3HG1 VAL 23 2HG1 VAL 23 4.659 -3.121 8.639 172 1HG2 VAL 23 3HG2 VAL 23 4.218 -6.199 6.375 173 2HG2 VAL 23 2HG2 VAL 23 5.646 -5.322 6.924 174 3HG2 VAL 23 1HG2 VAL 23 4.450 -5.880 8.094 175 H GLN 24 HN GLN 24 0.864 -3.792 8.263 176 HA GLN 24 HA GLN 24 0.681 -6.406 9.518 177 1HB GLN 24 2HB GLN 24 -0.877 -3.837 9.910 178 2HB GLN 24 1HB GLN 24 -1.111 -5.280 10.894 179 1HG GLN 24 2HG GLN 24 1.710 -4.560 10.658 180 2HG GLN 24 1HG GLN 24 0.753 -3.267 11.374 181 1HE2 GLN 24 2HE2 GLN 24 1.338 -5.088 14.396 182 2HE2 GLN 24 1HE2 GLN 24 1.843 -3.754 13.474 183 H THR 25 HN THR 25 -1.504 -4.470 7.465 184 HA THR 25 HA THR 25 -3.710 -6.300 7.570 185 HB THR 25 HB THR 25 -3.117 -4.575 5.173 186 HG1 THR 25 HG1 THR 25 -4.199 -3.699 7.639 187 1HG2 THR 25 3HG2 THR 25 -5.162 -6.121 5.434 188 2HG2 THR 25 2HG2 THR 25 -5.707 -4.982 6.664 189 3HG2 THR 25 1HG2 THR 25 -5.475 -4.440 5.002 190 H ALA 26 HN ALA 26 -1.427 -5.763 4.859 191 HA ALA 26 HA ALA 26 -2.187 -8.045 3.364 192 1HB ALA 26 2HB ALA 26 0.225 -6.281 3.449 193 2HB ALA 26 1HB ALA 26 0.333 -7.796 2.553 194 3HB ALA 26 3HB ALA 26 -0.886 -6.598 2.117 195 H SER 27 HN SER 27 -0.117 -7.769 6.176 196 HA SER 27 HA SER 27 1.378 -10.186 5.893 197 1HB SER 27 2HB SER 27 2.067 -8.708 7.624 198 2HB SER 27 1HB SER 27 0.444 -8.613 8.300 199 HG SER 27 HG SER 27 2.408 -10.324 8.878 200 H LYS 28 HN LYS 28 -1.848 -9.546 7.204 201 HA LYS 28 HA LYS 28 -2.342 -12.212 8.161 202 1HB LYS 28 2HB LYS 28 -4.401 -10.209 7.186 203 2HB LYS 28 1HB LYS 28 -4.663 -11.537 8.314 204 1HG LYS 28 2HG LYS 28 -2.890 -9.121 8.805 205 2HG LYS 28 1HG LYS 28 -4.470 -9.405 9.527 206 1HD LYS 28 2HD LYS 28 -3.159 -11.741 10.135 207 2HD LYS 28 1HD LYS 28 -1.850 -10.566 10.224 208 1HE LYS 28 2HE LYS 28 -3.961 -9.287 11.519 209 2HE LYS 28 1HE LYS 28 -4.103 -10.966 12.041 210 1HZ LYS 28 3HZ LYS 28 -1.566 -9.432 12.097 211 2HZ LYS 28 2HZ LYS 28 -2.607 -9.577 13.430 212 3HZ LYS 28 1HZ LYS 28 -1.859 -10.957 12.779 213 H TYR 29 HN TYR 29 -2.548 -10.693 5.006 214 HA TYR 29 HA TYR 29 -4.024 -12.980 3.862 215 1HB TYR 29 2HB TYR 29 -2.885 -10.471 2.583 216 2HB TYR 29 1HB TYR 29 -3.831 -11.696 1.734 217 HD1 TYR 29 2HD TYR 29 -6.203 -12.126 2.380 218 HD2 TYR 29 1HD TYR 29 -3.936 -8.880 4.047 219 HE1 TYR 29 2HE TYR 29 -8.302 -11.065 3.168 220 HE2 TYR 29 1HE TYR 29 -6.034 -7.820 4.836 221 HH TYR 29 HH TYR 29 -8.918 -9.407 5.071 222 H ASP 30 HN ASP 30 -2.941 -14.755 3.241 223 HA ASP 30 HA ASP 30 -0.081 -14.929 3.158 224 1HB ASP 30 2HB ASP 30 -2.183 -16.771 1.983 225 2HB ASP 30 1HB ASP 30 -0.478 -17.176 2.176 226 H ALA 31 HN ALA 31 -2.351 -13.787 0.824 227 HA ALA 31 HA ALA 31 -1.097 -14.502 -1.613 228 1HB ALA 31 3HB ALA 31 -2.861 -12.253 -0.726 229 2HB ALA 31 2HB ALA 31 -2.076 -12.132 -2.301 230 3HB ALA 31 1HB ALA 31 -3.151 -13.486 -1.952 231 H ASP 32 HN ASP 32 0.013 -12.767 -3.056 232 HA ASP 32 HA ASP 32 2.194 -11.506 -1.448 233 1HB ASP 32 2HB ASP 32 2.142 -12.651 -4.248 234 2HB ASP 32 1HB ASP 32 3.451 -11.616 -3.678 235 H VAL 33 HN VAL 33 1.050 -9.525 -1.140 236 HA VAL 33 HA VAL 33 0.180 -8.014 -3.525 237 HB VAL 33 HB VAL 33 -0.567 -6.327 -1.856 238 1HG1 VAL 33 1HG1 VAL 33 -1.479 -9.091 -2.060 239 2HG1 VAL 33 3HG1 VAL 33 -1.885 -8.396 -0.488 240 3HG1 VAL 33 2HG1 VAL 33 -2.425 -7.606 -1.969 241 1HG2 VAL 33 3HG2 VAL 33 1.261 -7.814 -0.174 242 2HG2 VAL 33 2HG2 VAL 33 0.452 -6.285 0.156 243 3HG2 VAL 33 1HG2 VAL 33 -0.344 -7.806 0.554 244 H ASN 34 HN ASN 34 1.785 -7.018 -4.643 245 HA ASN 34 HA ASN 34 4.043 -5.808 -3.100 246 1HB ASN 34 2HB ASN 34 3.848 -6.812 -5.947 247 2HB ASN 34 1HB ASN 34 5.200 -5.835 -5.373 248 1HD2 ASN 34 2HD2 ASN 34 6.798 -8.745 -4.212 249 2HD2 ASN 34 1HD2 ASN 34 6.915 -7.275 -5.054 250 H LEU 35 HN LEU 35 4.319 -3.628 -3.186 251 HA LEU 35 HA LEU 35 2.338 -2.030 -4.688 252 1HB LEU 35 2HB LEU 35 2.998 -1.612 -2.244 253 2HB LEU 35 1HB LEU 35 4.524 -0.991 -2.874 254 HG LEU 35 HG LEU 35 2.100 0.079 -4.197 255 1HD1 LEU 35 2HD1 LEU 35 1.767 -0.151 -1.549 256 2HD1 LEU 35 1HD1 LEU 35 2.744 1.318 -1.561 257 3HD1 LEU 35 3HD1 LEU 35 1.214 1.269 -2.436 258 1HD2 LEU 35 1HD2 LEU 35 4.655 1.245 -3.048 259 2HD2 LEU 35 3HD2 LEU 35 4.298 0.947 -4.749 260 3HD2 LEU 35 2HD2 LEU 35 3.423 2.201 -3.871 261 H GLU 36 HN GLU 36 2.955 -0.448 -6.242 262 HA GLU 36 HA GLU 36 5.759 -0.707 -7.265 263 1HB GLU 36 2HB GLU 36 4.030 -1.782 -8.733 264 2HB GLU 36 1HB GLU 36 3.259 -0.205 -8.909 265 1HG GLU 36 2HG GLU 36 4.889 0.587 -10.301 266 2HG GLU 36 1HG GLU 36 6.174 -0.273 -9.453 267 H TYR 37 HN TYR 37 6.729 1.193 -6.645 268 HA TYR 37 HA TYR 37 5.158 3.697 -6.696 269 1HB TYR 37 2HB TYR 37 6.611 3.188 -4.737 270 2HB TYR 37 1HB TYR 37 8.017 3.227 -5.797 271 HD1 TYR 37 1HD TYR 37 4.995 5.458 -5.808 272 HD2 TYR 37 2HD TYR 37 9.223 5.128 -5.111 273 HE1 TYR 37 1HE TYR 37 5.144 7.917 -5.538 274 HE2 TYR 37 2HE TYR 37 9.369 7.588 -4.847 275 HH TYR 37 HH TYR 37 7.276 9.679 -5.898 276 H ASN 38 HN ASN 38 5.072 3.440 -9.126 277 HA ASN 38 HA ASN 38 5.790 4.011 -11.288 278 1HB ASN 38 2HB ASN 38 5.678 6.209 -9.946 279 2HB ASN 38 1HB ASN 38 7.440 6.130 -9.922 280 1HD2 ASN 38 2HD2 ASN 38 5.543 7.287 -13.302 281 2HD2 ASN 38 1HD2 ASN 38 4.698 6.965 -11.866 282 H GLY 39 HN GLY 39 7.115 2.103 -11.662 283 1HA GLY 39 2HA GLY 39 9.142 1.408 -12.720 284 2HA GLY 39 1HA GLY 39 9.953 2.798 -12.010 285 H LYS 40 HN LYS 40 9.263 2.416 -9.289 286 HA LYS 40 HA LYS 40 11.045 0.146 -8.664 287 1HB LYS 40 2HB LYS 40 9.762 2.166 -6.800 288 2HB LYS 40 1HB LYS 40 11.081 1.064 -6.404 289 1HG LYS 40 2HG LYS 40 11.248 3.144 -8.601 290 2HG LYS 40 1HG LYS 40 11.819 3.420 -6.955 291 1HD LYS 40 2HD LYS 40 13.139 1.185 -7.319 292 2HD LYS 40 1HD LYS 40 12.889 1.527 -9.031 293 1HE LYS 40 2HE LYS 40 14.035 3.565 -7.112 294 2HE LYS 40 1HE LYS 40 15.046 2.448 -8.030 295 1HZ LYS 40 1HZ LYS 40 14.062 3.298 -10.070 296 2HZ LYS 40 3HZ LYS 40 13.110 4.384 -9.180 297 3HZ LYS 40 2HZ LYS 40 14.800 4.547 -9.187 298 H THR 41 HN THR 41 10.408 -1.411 -6.952 299 HA THR 41 HA THR 41 7.508 -1.691 -6.459 300 HB THR 41 HB THR 41 9.091 -3.917 -7.775 301 HG1 THR 41 HG1 THR 41 8.252 -3.281 -9.628 302 1HG2 THR 41 1HG2 THR 41 6.942 -4.166 -6.170 303 2HG2 THR 41 3HG2 THR 41 6.121 -3.836 -7.696 304 3HG2 THR 41 2HG2 THR 41 7.214 -5.214 -7.563 305 H VAL 42 HN VAL 42 7.652 -1.768 -4.258 306 HA VAL 42 HA VAL 42 9.641 -3.651 -3.058 307 HB VAL 42 HB VAL 42 8.957 -2.337 -0.888 308 1HG1 VAL 42 2HG1 VAL 42 11.144 -2.333 -2.344 309 2HG1 VAL 42 1HG1 VAL 42 10.599 -0.719 -2.800 310 3HG1 VAL 42 3HG1 VAL 42 10.904 -1.102 -1.104 311 1HG2 VAL 42 1HG2 VAL 42 7.180 -1.066 -2.364 312 2HG2 VAL 42 3HG2 VAL 42 8.084 -0.186 -1.131 313 3HG2 VAL 42 2HG2 VAL 42 8.562 -0.072 -2.825 314 H ASN 43 HN ASN 43 8.910 -5.129 -1.481 315 HA ASN 43 HA ASN 43 6.263 -6.181 -1.861 316 1HB ASN 43 2HB ASN 43 8.549 -7.194 -0.841 317 2HB ASN 43 1HB ASN 43 7.738 -6.770 0.665 318 1HD2 ASN 43 2HD2 ASN 43 4.890 -9.005 -0.278 319 2HD2 ASN 43 1HD2 ASN 43 5.051 -7.359 0.086 320 H LEU 44 HN LEU 44 4.368 -5.628 -0.807 321 HA LEU 44 HA LEU 44 4.033 -3.252 0.632 322 1HB LEU 44 2HB LEU 44 2.264 -4.855 -0.379 323 2HB LEU 44 1HB LEU 44 2.335 -5.698 1.162 324 HG LEU 44 HG LEU 44 0.483 -4.004 0.999 325 1HD1 LEU 44 3HD1 LEU 44 2.035 -4.662 3.128 326 2HD1 LEU 44 2HD1 LEU 44 2.207 -2.907 3.130 327 3HD1 LEU 44 1HD1 LEU 44 0.605 -3.635 3.229 328 1HD2 LEU 44 1HD2 LEU 44 1.889 -2.331 -0.318 329 2HD2 LEU 44 3HD2 LEU 44 0.948 -1.651 1.013 330 3HD2 LEU 44 2HD2 LEU 44 2.679 -1.927 1.207 331 H LYS 45 HN LYS 45 5.094 -6.373 1.803 332 HA LYS 45 HA LYS 45 4.907 -5.515 4.627 333 1HB LYS 45 2HB LYS 45 5.993 -8.077 3.411 334 2HB LYS 45 1HB LYS 45 5.734 -7.781 5.131 335 1HG LYS 45 2HG LYS 45 3.447 -7.958 4.960 336 2HG LYS 45 1HG LYS 45 3.416 -7.328 3.313 337 1HD LYS 45 2HD LYS 45 4.609 -9.528 2.657 338 2HD LYS 45 1HD LYS 45 4.092 -10.118 4.237 339 1HE LYS 45 2HE LYS 45 1.753 -9.099 3.412 340 2HE LYS 45 1HE LYS 45 2.457 -9.456 1.835 341 1HZ LYS 45 3HZ LYS 45 2.871 -11.723 2.586 342 2HZ LYS 45 2HZ LYS 45 2.150 -11.372 4.083 343 3HZ LYS 45 1HZ LYS 45 1.219 -11.343 2.662 344 H SER 46 HN SER 46 6.464 -3.707 3.651 345 HA SER 46 HA SER 46 9.174 -4.401 4.586 346 1HB SER 46 2HB SER 46 8.893 -4.707 1.974 347 2HB SER 46 1HB SER 46 8.977 -2.948 1.957 348 HG SER 46 HG SER 46 10.939 -3.202 3.220 349 H ILE 47 HN ILE 47 8.572 -2.958 6.289 350 HA ILE 47 HA ILE 47 7.583 -0.310 5.882 351 HB ILE 47 HB ILE 47 9.267 -1.295 8.199 352 1HG1 ILE 47 2HG1 ILE 47 6.280 -1.481 7.648 353 2HG1 ILE 47 1HG1 ILE 47 7.399 -2.825 7.838 354 1HG2 ILE 47 3HG2 ILE 47 8.494 1.252 7.666 355 2HG2 ILE 47 2HG2 ILE 47 7.055 0.673 8.505 356 3HG2 ILE 47 1HG2 ILE 47 8.625 0.614 9.305 357 1HD1 ILE 47 1HD1 ILE 47 7.854 -1.570 10.178 358 2HD1 ILE 47 3HD1 ILE 47 6.180 -1.083 9.914 359 3HD1 ILE 47 2HD1 ILE 47 6.599 -2.795 9.985 360 H MET 48 HN MET 48 10.909 -1.267 6.837 361 HA MET 48 HA MET 48 12.036 1.308 6.289 362 1HB MET 48 2HB MET 48 12.991 -0.746 7.625 363 2HB MET 48 1HB MET 48 13.662 -1.205 6.060 364 1HG MET 48 2HG MET 48 14.424 1.332 6.009 365 2HG MET 48 1HG MET 48 14.280 1.182 7.760 366 1HE MET 48 3HE MET 48 14.805 -1.186 8.719 367 2HE MET 48 2HE MET 48 16.455 -1.800 8.642 368 3HE MET 48 1HE MET 48 16.151 -0.189 9.287 369 H GLY 49 HN GLY 49 11.194 -1.341 4.193 370 1HA GLY 49 2HA GLY 49 12.997 -0.603 2.033 371 2HA GLY 49 1HA GLY 49 11.652 -1.736 1.916 372 H VAL 50 HN VAL 50 9.760 0.326 3.020 373 HA VAL 50 HA VAL 50 9.127 1.581 0.446 374 HB VAL 50 HB VAL 50 7.735 1.851 3.129 375 1HG1 VAL 50 1HG1 VAL 50 6.878 2.490 0.289 376 2HG1 VAL 50 3HG1 VAL 50 5.789 2.485 1.677 377 3HG1 VAL 50 2HG1 VAL 50 7.117 3.642 1.603 378 1HG2 VAL 50 3HG2 VAL 50 8.020 -0.459 1.666 379 2HG2 VAL 50 2HG2 VAL 50 6.652 -0.112 2.721 380 3HG2 VAL 50 1HG2 VAL 50 6.532 0.202 0.990 381 H VAL 51 HN VAL 51 10.405 2.576 3.576 382 HA VAL 51 HA VAL 51 10.111 5.404 3.231 383 HB VAL 51 HB VAL 51 12.296 3.956 4.755 384 1HG1 VAL 51 2HG1 VAL 51 11.237 6.757 4.662 385 2HG1 VAL 51 1HG1 VAL 51 11.811 6.125 6.206 386 3HG1 VAL 51 3HG1 VAL 51 12.901 6.194 4.821 387 1HG2 VAL 51 1HG2 VAL 51 9.392 4.439 5.320 388 2HG2 VAL 51 3HG2 VAL 51 10.392 3.044 5.725 389 3HG2 VAL 51 2HG2 VAL 51 10.535 4.532 6.660 390 H SER 52 HN SER 52 12.454 3.100 2.006 391 HA SER 52 HA SER 52 14.474 5.019 1.258 392 1HB SER 52 2HB SER 52 15.180 3.134 -0.333 393 2HB SER 52 1HB SER 52 15.172 2.751 1.386 394 HG SER 52 HG SER 52 13.672 1.335 1.011 395 H LEU 53 HN LEU 53 11.475 3.983 -0.214 396 HA LEU 53 HA LEU 53 12.032 4.784 -2.908 397 1HB LEU 53 2HB LEU 53 9.487 4.466 -1.315 398 2HB LEU 53 1HB LEU 53 9.450 5.073 -2.967 399 HG LEU 53 HG LEU 53 9.095 2.637 -2.922 400 1HD1 LEU 53 1HD1 LEU 53 10.774 3.997 -4.591 401 2HD1 LEU 53 3HD1 LEU 53 11.843 2.723 -4.008 402 3HD1 LEU 53 2HD1 LEU 53 10.327 2.305 -4.804 403 1HD2 LEU 53 1HD2 LEU 53 10.492 2.343 -0.799 404 2HD2 LEU 53 3HD2 LEU 53 10.710 1.114 -2.044 405 3HD2 LEU 53 2HD2 LEU 53 11.911 2.389 -1.845 406 H GLY 54 HN GLY 54 10.836 6.557 -0.083 407 1HA GLY 54 2HA GLY 54 10.923 8.888 0.311 408 2HA GLY 54 1HA GLY 54 11.669 9.090 -1.276 409 H ILE 55 HN ILE 55 8.603 7.458 -0.590 410 HA ILE 55 HA ILE 55 7.232 8.907 -2.681 411 HB ILE 55 HB ILE 55 6.033 7.291 -0.408 412 1HG1 ILE 55 2HG1 ILE 55 6.591 6.248 -3.178 413 2HG1 ILE 55 1HG1 ILE 55 7.854 6.207 -1.949 414 1HG2 ILE 55 2HG2 ILE 55 4.677 8.861 -2.099 415 2HG2 ILE 55 1HG2 ILE 55 4.865 7.459 -3.150 416 3HG2 ILE 55 3HG2 ILE 55 4.055 7.293 -1.594 417 1HD1 ILE 55 2HD1 ILE 55 5.965 5.144 -0.457 418 2HD1 ILE 55 1HD1 ILE 55 5.226 4.759 -2.010 419 3HD1 ILE 55 3HD1 ILE 55 6.830 4.139 -1.619 420 H ALA 56 HN ALA 56 5.757 10.600 -2.503 421 HA ALA 56 HA ALA 56 5.489 11.859 0.192 422 1HB ALA 56 1HB ALA 56 7.057 12.841 -1.882 423 2HB ALA 56 3HB ALA 56 5.564 13.769 -2.026 424 3HB ALA 56 2HB ALA 56 6.463 13.777 -0.509 425 H LYS 57 HN LYS 57 3.880 13.996 -0.558 426 HA LYS 57 HA LYS 57 1.315 12.700 -0.895 427 1HB LYS 57 2HB LYS 57 0.429 15.037 -0.914 428 2HB LYS 57 1HB LYS 57 1.491 14.721 0.457 429 1HG LYS 57 2HG LYS 57 2.946 15.675 -1.910 430 2HG LYS 57 1HG LYS 57 1.747 16.831 -1.333 431 1HD LYS 57 2HD LYS 57 2.848 16.078 1.032 432 2HD LYS 57 1HD LYS 57 4.241 15.888 -0.033 433 1HE LYS 57 2HE LYS 57 4.467 18.128 0.494 434 2HE LYS 57 1HE LYS 57 3.431 18.264 -0.927 435 1HZ LYS 57 2HZ LYS 57 2.385 18.066 1.840 436 2HZ LYS 57 1HZ LYS 57 2.677 19.546 1.059 437 3HZ LYS 57 3HZ LYS 57 1.524 18.473 0.433 438 H GLY 58 HN GLY 58 -0.168 13.009 -2.670 439 1HA GLY 58 2HA GLY 58 -0.745 13.119 -4.940 440 2HA GLY 58 1HA GLY 58 0.484 14.375 -5.094 441 H ALA 59 HN ALA 59 0.160 10.826 -4.835 442 HA ALA 59 HA ALA 59 2.270 10.560 -6.907 443 1HB ALA 59 2HB ALA 59 3.020 10.320 -4.318 444 2HB ALA 59 1HB ALA 59 2.488 8.667 -4.625 445 3HB ALA 59 3HB ALA 59 3.757 9.385 -5.619 446 H GLU 60 HN GLU 60 2.402 8.166 -7.598 447 HA GLU 60 HA GLU 60 -0.324 6.939 -7.438 448 1HB GLU 60 2HB GLU 60 1.536 7.365 -9.754 449 2HB GLU 60 1HB GLU 60 0.476 5.954 -9.759 450 1HG GLU 60 2HG GLU 60 -0.669 8.654 -9.110 451 2HG GLU 60 1HG GLU 60 -0.375 8.217 -10.794 452 H ILE 61 HN ILE 61 -0.395 4.697 -7.120 453 HA ILE 61 HA ILE 61 2.161 3.195 -7.060 454 HB ILE 61 HB ILE 61 1.571 2.294 -4.778 455 1HG1 ILE 61 2HG1 ILE 61 -0.407 4.605 -4.859 456 2HG1 ILE 61 1HG1 ILE 61 -0.820 2.894 -4.793 457 1HG2 ILE 61 1HG2 ILE 61 3.216 4.184 -5.261 458 2HG2 ILE 61 3HG2 ILE 61 1.934 5.301 -4.794 459 3HG2 ILE 61 2HG2 ILE 61 2.566 4.145 -3.622 460 1HD1 ILE 61 3HD1 ILE 61 0.933 3.239 -2.646 461 2HD1 ILE 61 2HD1 ILE 61 -0.066 4.692 -2.623 462 3HD1 ILE 61 1HD1 ILE 61 -0.823 3.102 -2.545 463 H THR 62 HN THR 62 1.829 1.238 -7.992 464 HA THR 62 HA THR 62 -0.976 0.296 -8.310 465 HB THR 62 HB THR 62 1.418 -0.881 -9.712 466 HG1 THR 62 HG1 THR 62 -0.086 1.389 -10.504 467 1HG2 THR 62 1HG2 THR 62 -1.121 -1.690 -9.708 468 2HG2 THR 62 3HG2 THR 62 -1.271 -0.427 -10.930 469 3HG2 THR 62 2HG2 THR 62 -0.139 -1.758 -11.171 470 H ILE 63 HN ILE 63 -1.629 -1.247 -6.918 471 HA ILE 63 HA ILE 63 0.417 -3.001 -5.644 472 HB ILE 63 HB ILE 63 -2.472 -2.422 -4.897 473 1HG1 ILE 63 2HG1 ILE 63 0.129 -1.666 -3.528 474 2HG1 ILE 63 1HG1 ILE 63 -0.823 -0.572 -4.532 475 1HG2 ILE 63 2HG2 ILE 63 -0.394 -4.280 -3.745 476 2HG2 ILE 63 1HG2 ILE 63 -1.654 -3.592 -2.720 477 3HG2 ILE 63 3HG2 ILE 63 -2.092 -4.604 -4.097 478 1HD1 ILE 63 2HD1 ILE 63 -2.792 -1.132 -2.973 479 2HD1 ILE 63 1HD1 ILE 63 -1.582 -1.814 -1.887 480 3HD1 ILE 63 3HD1 ILE 63 -1.519 -0.104 -2.313 481 H SER 64 HN SER 64 0.077 -5.303 -5.637 482 HA SER 64 HA SER 64 -2.101 -6.384 -7.313 483 1HB SER 64 2HB SER 64 -0.224 -7.776 -8.521 484 2HB SER 64 1HB SER 64 -0.608 -6.152 -9.086 485 HG SER 64 HG SER 64 1.699 -7.088 -8.148 486 H ALA 65 HN ALA 65 -2.911 -7.859 -5.911 487 HA ALA 65 HA ALA 65 -1.107 -9.388 -4.127 488 1HB ALA 65 3HB ALA 65 -3.438 -8.382 -3.506 489 2HB ALA 65 2HB ALA 65 -4.087 -9.788 -4.349 490 3HB ALA 65 1HB ALA 65 -3.046 -10.007 -2.944 491 H SER 66 HN SER 66 -0.575 -11.534 -4.511 492 HA SER 66 HA SER 66 -2.109 -13.036 -6.563 493 1HB SER 66 2HB SER 66 0.460 -11.860 -7.023 494 2HB SER 66 1HB SER 66 0.652 -13.610 -7.009 495 HG SER 66 HG SER 66 -1.032 -12.002 -8.615 496 H GLY 67 HN GLY 67 -2.762 -14.740 -5.329 497 1HA GLY 67 2HA GLY 67 -1.037 -16.810 -4.531 498 2HA GLY 67 1HA GLY 67 -1.277 -15.802 -3.104 499 H ALA 68 HN ALA 68 -2.794 -16.737 -1.828 500 HA ALA 68 HA ALA 68 -4.989 -18.302 -3.041 501 1HB ALA 68 2HB ALA 68 -3.962 -17.898 -0.237 502 2HB ALA 68 1HB ALA 68 -5.555 -18.604 -0.513 503 3HB ALA 68 3HB ALA 68 -4.116 -19.398 -1.151 504 H ASP 69 HN ASP 69 -4.966 -15.939 -0.359 505 HA ASP 69 HA ASP 69 -7.629 -14.990 -1.246 506 1HB ASP 69 2HB ASP 69 -7.563 -13.705 0.922 507 2HB ASP 69 1HB ASP 69 -7.435 -15.451 1.123 508 H GLU 70 HN GLU 70 -5.750 -14.278 -3.077 509 HA GLU 70 HA GLU 70 -4.421 -11.787 -2.613 510 1HB GLU 70 2HB GLU 70 -4.288 -11.639 -5.081 511 2HB GLU 70 1HB GLU 70 -3.841 -13.243 -4.506 512 1HG GLU 70 2HG GLU 70 -6.384 -13.790 -4.875 513 2HG GLU 70 1HG GLU 70 -6.344 -12.376 -5.927 514 H ASN 71 HN ASN 71 -7.653 -12.542 -3.897 515 HA ASN 71 HA ASN 71 -8.339 -9.817 -4.533 516 1HB ASN 71 2HB ASN 71 -9.959 -12.319 -4.050 517 2HB ASN 71 1HB ASN 71 -10.734 -10.766 -4.370 518 1HD2 ASN 71 2HD2 ASN 71 -10.469 -11.732 -7.788 519 2HD2 ASN 71 1HD2 ASN 71 -11.527 -11.555 -6.473 520 H ASP 72 HN ASP 72 -8.925 -11.856 -1.673 521 HA ASP 72 HA ASP 72 -10.461 -9.903 -0.235 522 1HB ASP 72 2HB ASP 72 -8.745 -12.113 0.917 523 2HB ASP 72 1HB ASP 72 -10.105 -11.315 1.702 524 H ALA 73 HN ALA 73 -7.027 -10.299 -0.735 525 HA ALA 73 HA ALA 73 -6.250 -8.688 1.568 526 1HB ALA 73 2HB ALA 73 -4.821 -10.481 0.503 527 2HB ALA 73 1HB ALA 73 -4.566 -9.373 -0.847 528 3HB ALA 73 3HB ALA 73 -4.007 -8.938 0.768 529 H LEU 74 HN LEU 74 -6.348 -8.082 -1.979 530 HA LEU 74 HA LEU 74 -5.314 -5.445 -1.839 531 1HB LEU 74 2HB LEU 74 -6.236 -5.084 -4.053 532 2HB LEU 74 1HB LEU 74 -5.595 -6.719 -3.956 533 HG LEU 74 HG LEU 74 -8.078 -7.294 -3.245 534 1HD1 LEU 74 2HD1 LEU 74 -8.326 -4.557 -3.770 535 2HD1 LEU 74 1HD1 LEU 74 -8.971 -5.332 -5.217 536 3HD1 LEU 74 3HD1 LEU 74 -9.649 -5.714 -3.636 537 1HD2 LEU 74 2HD2 LEU 74 -7.088 -6.748 -6.052 538 2HD2 LEU 74 1HD2 LEU 74 -7.019 -8.275 -5.173 539 3HD2 LEU 74 3HD2 LEU 74 -8.573 -7.633 -5.704 540 H ASN 75 HN ASN 75 -8.698 -6.557 -1.556 541 HA ASN 75 HA ASN 75 -9.702 -3.838 -1.317 542 1HB ASN 75 2HB ASN 75 -11.833 -4.869 -0.666 543 2HB ASN 75 1HB ASN 75 -11.172 -5.670 -2.088 544 1HD2 ASN 75 2HD2 ASN 75 -11.225 -7.712 1.483 545 2HD2 ASN 75 1HD2 ASN 75 -11.282 -6.016 1.503 546 H ALA 76 HN ALA 76 -8.381 -6.208 0.893 547 HA ALA 76 HA ALA 76 -9.419 -5.193 3.344 548 1HB ALA 76 3HB ALA 76 -7.878 -7.289 2.792 549 2HB ALA 76 2HB ALA 76 -6.589 -6.160 3.209 550 3HB ALA 76 1HB ALA 76 -7.846 -6.539 4.387 551 H LEU 77 HN LEU 77 -6.180 -4.542 1.927 552 HA LEU 77 HA LEU 77 -5.573 -2.359 3.656 553 1HB LEU 77 2HB LEU 77 -4.610 -2.751 0.809 554 2HB LEU 77 1HB LEU 77 -3.814 -1.813 2.073 555 HG LEU 77 HG LEU 77 -4.310 -4.464 3.086 556 1HD1 LEU 77 3HD1 LEU 77 -4.259 -4.817 0.481 557 2HD1 LEU 77 2HD1 LEU 77 -2.522 -4.582 0.679 558 3HD1 LEU 77 1HD1 LEU 77 -3.337 -5.895 1.529 559 1HD2 LEU 77 3HD2 LEU 77 -1.750 -3.042 2.282 560 2HD2 LEU 77 2HD2 LEU 77 -2.546 -2.915 3.851 561 3HD2 LEU 77 1HD2 LEU 77 -1.851 -4.452 3.335 562 H GLU 78 HN GLU 78 -7.456 -2.533 0.690 563 HA GLU 78 HA GLU 78 -7.478 0.249 0.044 564 1HB GLU 78 2HB GLU 78 -8.287 -1.478 -1.511 565 2HB GLU 78 1HB GLU 78 -9.618 -1.852 -0.422 566 1HG GLU 78 2HG GLU 78 -10.438 0.492 -0.670 567 2HG GLU 78 1HG GLU 78 -9.155 0.789 -1.840 568 H GLU 79 HN GLU 79 -9.497 -1.647 2.299 569 HA GLU 79 HA GLU 79 -11.266 0.582 2.858 570 1HB GLU 79 2HB GLU 79 -12.296 -0.803 4.485 571 2HB GLU 79 1HB GLU 79 -11.786 -1.909 3.216 572 1HG GLU 79 2HG GLU 79 -9.578 -1.812 4.910 573 2HG GLU 79 1HG GLU 79 -10.942 -1.768 6.019 574 H THR 80 HN THR 80 -8.190 -0.506 4.117 575 HA THR 80 HA THR 80 -8.229 1.033 6.559 576 HB THR 80 HB THR 80 -5.833 0.183 4.899 577 HG1 THR 80 HG1 THR 80 -6.583 -1.712 5.409 578 1HG2 THR 80 2HG2 THR 80 -5.593 1.908 6.804 579 2HG2 THR 80 1HG2 THR 80 -5.974 0.569 7.886 580 3HG2 THR 80 3HG2 THR 80 -4.544 0.491 6.855 581 H MET 81 HN MET 81 -7.219 1.694 3.239 582 HA MET 81 HA MET 81 -6.079 4.294 3.787 583 1HB MET 81 2HB MET 81 -6.950 2.807 1.324 584 2HB MET 81 1HB MET 81 -6.560 4.520 1.211 585 1HG MET 81 2HG MET 81 -4.555 3.054 2.757 586 2HG MET 81 1HG MET 81 -4.738 2.391 1.136 587 1HE MET 81 1HE MET 81 -2.560 2.693 0.899 588 2HE MET 81 3HE MET 81 -1.955 4.009 -0.115 589 3HE MET 81 2HE MET 81 -1.680 4.037 1.624 590 H LYS 82 HN LYS 82 -9.313 3.104 3.144 591 HA LYS 82 HA LYS 82 -10.390 5.800 2.660 592 1HB LYS 82 2HB LYS 82 -11.746 3.103 2.958 593 2HB LYS 82 1HB LYS 82 -12.573 4.602 2.530 594 1HG LYS 82 2HG LYS 82 -10.200 3.620 0.946 595 2HG LYS 82 1HG LYS 82 -11.833 3.053 0.593 596 1HD LYS 82 2HD LYS 82 -12.574 5.404 0.320 597 2HD LYS 82 1HD LYS 82 -10.924 5.947 0.619 598 1HE LYS 82 2HE LYS 82 -10.969 5.877 -1.712 599 2HE LYS 82 1HE LYS 82 -10.327 4.280 -1.327 600 1HZ LYS 82 1HZ LYS 82 -12.640 3.443 -1.415 601 2HZ LYS 82 3HZ LYS 82 -13.141 4.965 -1.970 602 3HZ LYS 82 2HZ LYS 82 -12.075 4.030 -2.906 603 H SER 83 HN SER 83 -9.822 3.746 5.390 604 HA SER 83 HA SER 83 -11.947 4.800 7.065 605 1HB SER 83 2HB SER 83 -10.729 3.681 8.898 606 2HB SER 83 1HB SER 83 -10.915 2.606 7.514 607 HG SER 83 HG SER 83 -8.695 3.257 8.702 608 H GLU 84 HN GLU 84 -8.408 5.353 6.960 609 HA GLU 84 HA GLU 84 -8.738 7.723 8.698 610 1HB GLU 84 2HB GLU 84 -6.407 6.129 7.680 611 2HB GLU 84 1HB GLU 84 -6.141 7.778 8.248 612 1HG GLU 84 2HG GLU 84 -7.351 7.149 10.375 613 2HG GLU 84 1HG GLU 84 -7.341 5.477 9.811 614 H GLY 85 HN GLY 85 -7.907 6.900 5.363 615 1HA GLY 85 2HA GLY 85 -8.482 8.449 3.554 616 2HA GLY 85 1HA GLY 85 -8.207 9.787 4.670 617 H LEU 86 HN LEU 86 -6.185 6.933 3.999 618 HA LEU 86 HA LEU 86 -3.815 8.640 3.777 619 1HB LEU 86 2HB LEU 86 -4.260 5.657 3.540 620 2HB LEU 86 1HB LEU 86 -2.680 6.413 3.322 621 HG LEU 86 HG LEU 86 -4.395 6.752 5.797 622 1HD1 LEU 86 3HD1 LEU 86 -3.313 4.411 5.176 623 2HD1 LEU 86 2HD1 LEU 86 -1.839 5.195 5.743 624 3HD1 LEU 86 1HD1 LEU 86 -3.224 5.035 6.822 625 1HD2 LEU 86 2HD2 LEU 86 -1.600 7.591 5.002 626 2HD2 LEU 86 1HD2 LEU 86 -2.919 8.611 5.579 627 3HD2 LEU 86 3HD2 LEU 86 -2.105 7.508 6.690 628 H GLY 87 HN GLY 87 -6.004 6.947 1.620 629 1HA GLY 87 2HA GLY 87 -5.158 8.449 -0.673 630 2HA GLY 87 1HA GLY 87 -4.456 6.831 -0.736 631 H GLU 88 HN GLU 88 -6.226 7.506 -2.713 632 HA GLU 88 HA GLU 88 -8.472 5.664 -2.145 633 1HB GLU 88 2HB GLU 88 -10.086 7.283 -3.178 634 2HB GLU 88 1HB GLU 88 -9.443 7.833 -1.632 635 1HG GLU 88 2HG GLU 88 -7.766 9.206 -2.826 636 2HG GLU 88 1HG GLU 88 -8.438 8.673 -4.368 No H/Q in entry = 636 Start of MODEL 17 1 1H ALA 2 3HT ALA 2 -5.147 -9.883 -9.745 2 2H ALA 2 2HT ALA 2 -6.628 -10.695 -9.932 3 3H ALA 2 1HT ALA 2 -6.476 -9.075 -10.421 4 HA ALA 2 HA ALA 2 -7.634 -9.023 -8.385 5 1HB ALA 2 2HB ALA 2 -5.414 -10.834 -7.385 6 2HB ALA 2 1HB ALA 2 -6.690 -10.151 -6.376 7 3HB ALA 2 3HB ALA 2 -7.094 -11.297 -7.653 8 H GLN 3 HN GLN 3 -5.926 -7.262 -9.687 9 HA GLN 3 HA GLN 3 -4.345 -6.109 -7.421 10 1HB GLN 3 2HB GLN 3 -2.951 -5.011 -9.209 11 2HB GLN 3 1HB GLN 3 -2.817 -6.767 -9.176 12 1HG GLN 3 2HG GLN 3 -4.464 -6.936 -11.003 13 2HG GLN 3 1HG GLN 3 -4.612 -5.178 -11.033 14 1HE2 GLN 3 2HE2 GLN 3 -1.372 -6.968 -12.752 15 2HE2 GLN 3 1HE2 GLN 3 -2.485 -7.883 -11.855 16 H LYS 4 HN LYS 4 -4.394 -3.784 -7.249 17 HA LYS 4 HA LYS 4 -6.435 -2.383 -8.895 18 1HB LYS 4 2HB LYS 4 -7.519 -3.281 -6.786 19 2HB LYS 4 1HB LYS 4 -6.440 -2.228 -5.871 20 1HG LYS 4 2HG LYS 4 -7.335 -0.260 -7.007 21 2HG LYS 4 1HG LYS 4 -8.354 -1.280 -8.023 22 1HD LYS 4 2HD LYS 4 -8.620 -1.676 -5.089 23 2HD LYS 4 1HD LYS 4 -9.236 -0.151 -5.728 24 1HE LYS 4 2HE LYS 4 -10.583 -1.396 -7.388 25 2HE LYS 4 1HE LYS 4 -9.984 -2.917 -6.726 26 1HZ LYS 4 3HZ LYS 4 -11.345 -0.905 -5.040 27 2HZ LYS 4 2HZ LYS 4 -12.211 -2.095 -5.887 28 3HZ LYS 4 1HZ LYS 4 -11.074 -2.545 -4.708 29 H THR 5 HN THR 5 -6.020 -0.168 -9.109 30 HA THR 5 HA THR 5 -3.320 0.688 -8.268 31 HB THR 5 HB THR 5 -5.328 2.226 -9.934 32 HG1 THR 5 HG1 THR 5 -3.268 0.491 -10.811 33 1HG2 THR 5 1HG2 THR 5 -3.295 3.382 -8.936 34 2HG2 THR 5 3HG2 THR 5 -2.305 2.320 -9.938 35 3HG2 THR 5 2HG2 THR 5 -3.421 3.458 -10.694 36 H PHE 6 HN PHE 6 -2.948 2.505 -6.943 37 HA PHE 6 HA PHE 6 -5.358 3.632 -5.575 38 1HB PHE 6 2HB PHE 6 -2.724 2.735 -4.378 39 2HB PHE 6 1HB PHE 6 -3.864 3.771 -3.518 40 HD1 PHE 6 1HD PHE 6 -3.684 0.521 -5.370 41 HD2 PHE 6 2HD PHE 6 -5.620 2.815 -2.298 42 HE1 PHE 6 1HE PHE 6 -5.001 -1.475 -4.710 43 HE2 PHE 6 2HE PHE 6 -6.936 0.820 -1.639 44 HZ PHE 6 HZ PHE 6 -6.628 -1.325 -2.843 45 H LYS 7 HN LYS 7 -4.952 5.798 -4.630 46 HA LYS 7 HA LYS 7 -2.876 7.296 -6.181 47 1HB LYS 7 2HB LYS 7 -5.537 7.675 -6.403 48 2HB LYS 7 1HB LYS 7 -5.215 8.737 -5.032 49 1HG LYS 7 2HG LYS 7 -4.936 10.098 -6.973 50 2HG LYS 7 1HG LYS 7 -3.304 9.716 -6.422 51 1HD LYS 7 2HD LYS 7 -2.862 8.368 -8.220 52 2HD LYS 7 1HD LYS 7 -4.526 7.796 -8.333 53 1HE LYS 7 2HE LYS 7 -4.082 10.675 -8.925 54 2HE LYS 7 1HE LYS 7 -3.460 9.526 -10.110 55 1HZ LYS 7 1HZ LYS 7 -5.647 8.497 -10.202 56 2HZ LYS 7 3HZ LYS 7 -6.242 9.615 -9.073 57 3HZ LYS 7 2HZ LYS 7 -5.736 10.145 -10.606 58 H VAL 8 HN VAL 8 -1.425 8.478 -4.995 59 HA VAL 8 HA VAL 8 -1.575 8.282 -2.058 60 HB VAL 8 HB VAL 8 0.552 9.626 -3.747 61 1HG1 VAL 8 1HG1 VAL 8 0.352 10.033 -1.211 62 2HG1 VAL 8 3HG1 VAL 8 0.817 8.341 -1.026 63 3HG1 VAL 8 2HG1 VAL 8 1.915 9.478 -1.810 64 1HG2 VAL 8 2HG2 VAL 8 0.271 6.747 -2.833 65 2HG2 VAL 8 1HG2 VAL 8 0.386 7.328 -4.495 66 3HG2 VAL 8 3HG2 VAL 8 1.782 7.438 -3.423 67 H THR 9 HN THR 9 -2.938 9.769 -1.154 68 HA THR 9 HA THR 9 -2.593 12.619 -1.999 69 HB THR 9 HB THR 9 -5.156 11.459 -0.896 70 HG1 THR 9 HG1 THR 9 -5.676 10.847 -2.839 71 1HG2 THR 9 2HG2 THR 9 -4.288 14.042 -2.165 72 2HG2 THR 9 1HG2 THR 9 -5.972 13.529 -2.267 73 3HG2 THR 9 3HG2 THR 9 -5.223 13.790 -0.691 74 H ALA 10 HN ALA 10 -1.602 10.729 0.351 75 HA ALA 10 HA ALA 10 -2.693 12.025 2.713 76 1HB ALA 10 3HB ALA 10 -1.660 9.651 2.520 77 2HB ALA 10 2HB ALA 10 -0.108 10.480 2.634 78 3HB ALA 10 1HB ALA 10 -1.274 10.607 3.950 79 H ASP 11 HN ASP 11 -1.592 13.544 4.044 80 HA ASP 11 HA ASP 11 0.018 15.482 2.644 81 1HB ASP 11 2HB ASP 11 -0.934 15.106 5.456 82 2HB ASP 11 1HB ASP 11 0.390 16.236 5.172 83 H SER 12 HN SER 12 0.810 13.271 5.350 84 HA SER 12 HA SER 12 3.630 13.814 5.280 85 1HB SER 12 2HB SER 12 3.660 11.456 6.450 86 2HB SER 12 1HB SER 12 2.949 12.834 7.283 87 HG SER 12 HG SER 12 1.796 10.547 6.505 88 H GLY 13 HN GLY 13 1.560 11.601 3.508 89 1HA GLY 13 2HA GLY 13 2.212 10.717 1.344 90 2HA GLY 13 1HA GLY 13 3.903 10.850 1.833 91 H ILE 14 HN ILE 14 4.096 8.570 1.157 92 HA ILE 14 HA ILE 14 2.845 6.652 3.071 93 HB ILE 14 HB ILE 14 4.200 6.084 0.416 94 1HG1 ILE 14 2HG1 ILE 14 1.240 6.013 1.053 95 2HG1 ILE 14 1HG1 ILE 14 2.025 7.429 0.352 96 1HG2 ILE 14 3HG2 ILE 14 4.063 4.288 2.289 97 2HG2 ILE 14 2HG2 ILE 14 2.333 4.277 1.951 98 3HG2 ILE 14 1HG2 ILE 14 3.483 3.851 0.683 99 1HD1 ILE 14 1HD1 ILE 14 2.546 4.799 -0.952 100 2HD1 ILE 14 3HD1 ILE 14 0.948 5.509 -1.177 101 3HD1 ILE 14 2HD1 ILE 14 2.387 6.399 -1.675 102 1HN HIP 15 HN HIP 15 4.486 7.353 4.683 103 HA HIP 15 HA HIP 15 7.195 6.281 4.114 104 1HB HIP 15 1HB HIP 15 7.061 8.675 4.783 105 2HB HIP 15 2HB HIP 15 8.027 7.710 5.879 106 HD2 HIP 15 2HD HIP 15 4.172 8.712 5.932 107 HE2 HIP 15 2HE HIP 15 3.678 9.381 8.392 108 HE1 HIP 15 1HE HIP 15 5.772 9.178 9.796 109 H ALA 16 HN ALA 16 7.896 6.052 6.937 110 HA ALA 16 HA ALA 16 7.327 3.353 7.387 111 1HB ALA 16 3HB ALA 16 8.972 5.116 8.548 112 2HB ALA 16 2HB ALA 16 7.722 5.052 9.790 113 3HB ALA 16 1HB ALA 16 8.554 3.577 9.300 114 H ARG 17 HN ARG 17 5.507 6.154 8.709 115 HA ARG 17 HA ARG 17 3.895 4.688 10.519 116 1HB ARG 17 2HB ARG 17 3.930 7.342 9.460 117 2HB ARG 17 1HB ARG 17 2.275 6.750 9.374 118 1HG ARG 17 2HG ARG 17 2.399 6.099 11.763 119 2HG ARG 17 1HG ARG 17 4.041 6.738 11.840 120 1HD ARG 17 2HD ARG 17 2.047 8.618 10.736 121 2HD ARG 17 1HD ARG 17 1.799 8.193 12.429 122 HE ARG 17 HE ARG 17 4.469 9.157 11.503 123 1HH1 ARG 17 HH21 ARG 17 3.818 8.482 14.395 124 2HH1 ARG 17 HH22 ARG 17 3.523 10.056 15.053 125 1HH2 ARG 17 HH11 ARG 17 3.158 11.573 11.956 126 2HH2 ARG 17 HH12 ARG 17 3.148 11.806 13.672 127 HA PRO 18 HA PRO 18 0.568 4.012 7.160 128 1HB PRO 18 2HB PRO 18 1.190 4.646 4.554 129 2HB PRO 18 1HB PRO 18 0.367 5.749 5.673 130 1HG PRO 18 2HG PRO 18 3.228 5.748 4.788 131 2HG PRO 18 1HG PRO 18 2.189 7.118 5.221 132 1HD PRO 18 2HD PRO 18 4.128 6.034 6.897 133 2HD PRO 18 1HD PRO 18 2.732 6.975 7.454 134 H ALA 19 HN ALA 19 3.920 3.331 6.709 135 HA ALA 19 HA ALA 19 3.539 1.086 4.873 136 1HB ALA 19 3HB ALA 19 5.671 2.484 5.095 137 2HB ALA 19 2HB ALA 19 5.955 1.633 6.613 138 3HB ALA 19 1HB ALA 19 5.896 0.735 5.098 139 H THR 20 HN THR 20 3.648 1.629 8.333 140 HA THR 20 HA THR 20 3.884 -1.208 9.005 141 HB THR 20 HB THR 20 2.864 0.825 10.953 142 HG1 THR 20 HG1 THR 20 5.507 0.680 9.936 143 1HG2 THR 20 2HG2 THR 20 4.420 -1.703 10.937 144 2HG2 THR 20 1HG2 THR 20 4.895 -0.507 12.142 145 3HG2 THR 20 3HG2 THR 20 3.240 -1.112 12.107 146 H VAL 21 HN VAL 21 1.334 1.118 8.423 147 HA VAL 21 HA VAL 21 -0.807 -0.391 9.659 148 HB VAL 21 HB VAL 21 -0.978 1.601 7.400 149 1HG1 VAL 21 1HG1 VAL 21 -2.963 0.052 8.171 150 2HG1 VAL 21 3HG1 VAL 21 -3.049 1.175 9.529 151 3HG1 VAL 21 2HG1 VAL 21 -3.253 1.767 7.880 152 1HG2 VAL 21 3HG2 VAL 21 0.187 2.194 9.750 153 2HG2 VAL 21 2HG2 VAL 21 -0.848 3.345 8.908 154 3HG2 VAL 21 1HG2 VAL 21 -1.498 2.380 10.233 155 H LEU 22 HN LEU 22 0.534 -0.117 6.420 156 HA LEU 22 HA LEU 22 -1.358 -1.847 5.125 157 1HB LEU 22 2HB LEU 22 1.482 -1.095 4.394 158 2HB LEU 22 1HB LEU 22 0.329 -1.874 3.306 159 HG LEU 22 HG LEU 22 -0.256 0.758 4.684 160 1HD1 LEU 22 1HD1 LEU 22 1.345 0.127 2.238 161 2HD1 LEU 22 3HD1 LEU 22 0.244 1.504 2.153 162 3HD1 LEU 22 2HD1 LEU 22 1.514 1.465 3.377 163 1HD2 LEU 22 3HD2 LEU 22 -1.975 -0.916 3.482 164 2HD2 LEU 22 2HD2 LEU 22 -2.131 0.834 3.328 165 3HD2 LEU 22 1HD2 LEU 22 -1.368 -0.101 2.041 166 H VAL 23 HN VAL 23 2.034 -2.418 6.154 167 HA VAL 23 HA VAL 23 2.189 -5.144 5.491 168 HB VAL 23 HB VAL 23 4.117 -3.785 6.250 169 1HG1 VAL 23 1HG1 VAL 23 2.834 -2.660 8.115 170 2HG1 VAL 23 3HG1 VAL 23 2.999 -4.151 9.042 171 3HG1 VAL 23 2HG1 VAL 23 4.435 -3.241 8.573 172 1HG2 VAL 23 2HG2 VAL 23 3.899 -6.397 6.479 173 2HG2 VAL 23 1HG2 VAL 23 5.266 -5.571 7.230 174 3HG2 VAL 23 3HG2 VAL 23 3.881 -6.055 8.209 175 H GLN 24 HN GLN 24 0.548 -3.641 8.199 176 HA GLN 24 HA GLN 24 0.238 -6.047 9.774 177 1HB GLN 24 2HB GLN 24 -1.106 -3.352 9.746 178 2HB GLN 24 1HB GLN 24 -1.719 -4.648 10.768 179 1HG GLN 24 2HG GLN 24 1.132 -4.543 11.076 180 2HG GLN 24 1HG GLN 24 0.496 -2.910 11.265 181 1HE2 GLN 24 2HE2 GLN 24 -0.063 -5.592 14.216 182 2HE2 GLN 24 1HE2 GLN 24 0.929 -5.905 12.875 183 H THR 25 HN THR 25 -1.842 -4.389 7.392 184 HA THR 25 HA THR 25 -4.040 -6.241 7.654 185 HB THR 25 HB THR 25 -3.408 -4.648 5.167 186 HG1 THR 25 HG1 THR 25 -4.573 -3.774 7.600 187 1HG2 THR 25 3HG2 THR 25 -5.951 -5.552 6.542 188 2HG2 THR 25 2HG2 THR 25 -5.913 -4.466 5.152 189 3HG2 THR 25 1HG2 THR 25 -5.322 -6.120 4.996 190 H ALA 26 HN ALA 26 -1.676 -5.871 4.983 191 HA ALA 26 HA ALA 26 -2.351 -8.243 3.607 192 1HB ALA 26 2HB ALA 26 0.172 -6.608 3.773 193 2HB ALA 26 1HB ALA 26 0.127 -8.095 2.827 194 3HB ALA 26 3HB ALA 26 -0.957 -6.763 2.428 195 H SER 27 HN SER 27 -0.572 -7.844 6.576 196 HA SER 27 HA SER 27 1.016 -10.202 6.561 197 1HB SER 27 2HB SER 27 1.371 -8.641 8.332 198 2HB SER 27 1HB SER 27 -0.327 -8.674 8.800 199 HG SER 27 HG SER 27 1.731 -10.436 9.367 200 H LYS 28 HN LYS 28 -2.372 -9.699 7.508 201 HA LYS 28 HA LYS 28 -2.857 -12.386 8.398 202 1HB LYS 28 2HB LYS 28 -4.741 -10.276 7.300 203 2HB LYS 28 1HB LYS 28 -5.268 -11.786 8.044 204 1HG LYS 28 2HG LYS 28 -4.730 -11.091 10.155 205 2HG LYS 28 1HG LYS 28 -3.312 -10.199 9.610 206 1HD LYS 28 2HD LYS 28 -4.474 -8.274 9.676 207 2HD LYS 28 1HD LYS 28 -5.630 -8.917 8.511 208 1HE LYS 28 2HE LYS 28 -5.916 -9.896 11.300 209 2HE LYS 28 1HE LYS 28 -6.318 -8.201 11.030 210 1HZ LYS 28 1HZ LYS 28 -7.756 -8.927 9.182 211 2HZ LYS 28 3HZ LYS 28 -7.443 -10.543 9.593 212 3HZ LYS 28 2HZ LYS 28 -8.260 -9.532 10.688 213 H TYR 29 HN TYR 29 -2.837 -10.860 5.233 214 HA TYR 29 HA TYR 29 -3.989 -13.280 3.967 215 1HB TYR 29 2HB TYR 29 -3.037 -10.699 2.677 216 2HB TYR 29 1HB TYR 29 -3.995 -11.968 1.913 217 HD1 TYR 29 2HD TYR 29 -6.335 -12.379 2.611 218 HD2 TYR 29 1HD TYR 29 -4.041 -9.128 4.223 219 HE1 TYR 29 2HE TYR 29 -8.416 -11.341 3.471 220 HE2 TYR 29 1HE TYR 29 -6.121 -8.088 5.086 221 HH TYR 29 HH TYR 29 -8.589 -9.212 5.765 222 H ASP 30 HN ASP 30 -2.713 -14.832 3.088 223 HA ASP 30 HA ASP 30 0.209 -14.471 3.152 224 1HB ASP 30 2HB ASP 30 -1.542 -16.847 2.472 225 2HB ASP 30 1HB ASP 30 0.221 -16.891 2.478 226 H ALA 31 HN ALA 31 -1.945 -13.442 0.959 227 HA ALA 31 HA ALA 31 -1.003 -14.600 -1.505 228 1HB ALA 31 2HB ALA 31 -2.435 -12.007 -0.877 229 2HB ALA 31 1HB ALA 31 -2.059 -12.525 -2.520 230 3HB ALA 31 3HB ALA 31 -3.137 -13.493 -1.515 231 H ASP 32 HN ASP 32 -0.108 -12.804 -3.195 232 HA ASP 32 HA ASP 32 2.380 -11.739 -1.934 233 1HB ASP 32 2HB ASP 32 1.796 -12.458 -4.825 234 2HB ASP 32 1HB ASP 32 3.329 -11.823 -4.227 235 H VAL 33 HN VAL 33 1.005 -9.862 -1.261 236 HA VAL 33 HA VAL 33 0.135 -8.056 -3.429 237 HB VAL 33 HB VAL 33 -0.664 -6.625 -1.560 238 1HG1 VAL 33 1HG1 VAL 33 -1.518 -9.350 -2.144 239 2HG1 VAL 33 3HG1 VAL 33 -1.945 -8.888 -0.496 240 3HG1 VAL 33 2HG1 VAL 33 -2.495 -7.911 -1.858 241 1HG2 VAL 33 3HG2 VAL 33 1.182 -8.285 -0.070 242 2HG2 VAL 33 2HG2 VAL 33 0.337 -6.830 0.452 243 3HG2 VAL 33 1HG2 VAL 33 -0.429 -8.406 0.638 244 H ASN 34 HN ASN 34 1.475 -6.543 -4.258 245 HA ASN 34 HA ASN 34 3.664 -5.471 -2.537 246 1HB ASN 34 2HB ASN 34 3.974 -6.262 -5.448 247 2HB ASN 34 1HB ASN 34 5.234 -5.627 -4.391 248 1HD2 ASN 34 2HD2 ASN 34 3.988 -9.513 -3.885 249 2HD2 ASN 34 1HD2 ASN 34 2.973 -8.413 -4.685 250 H LEU 35 HN LEU 35 4.090 -3.285 -2.857 251 HA LEU 35 HA LEU 35 2.081 -1.800 -4.437 252 1HB LEU 35 2HB LEU 35 2.758 -1.167 -2.065 253 2HB LEU 35 1HB LEU 35 4.310 -0.661 -2.731 254 HG LEU 35 HG LEU 35 1.884 0.366 -4.113 255 1HD1 LEU 35 3HD1 LEU 35 2.526 0.884 -1.252 256 2HD1 LEU 35 2HD1 LEU 35 2.123 2.289 -2.240 257 3HD1 LEU 35 1HD1 LEU 35 0.976 0.959 -2.087 258 1HD2 LEU 35 2HD2 LEU 35 4.542 0.833 -4.336 259 2HD2 LEU 35 1HD2 LEU 35 3.324 2.039 -4.748 260 3HD2 LEU 35 3HD2 LEU 35 4.121 2.090 -3.175 261 H GLU 36 HN GLU 36 2.794 -0.065 -5.921 262 HA GLU 36 HA GLU 36 5.485 -0.596 -7.124 263 1HB GLU 36 2HB GLU 36 3.615 -1.547 -8.495 264 2HB GLU 36 1HB GLU 36 2.945 0.077 -8.640 265 1HG GLU 36 2HG GLU 36 4.624 0.797 -10.050 266 2HG GLU 36 1HG GLU 36 5.818 -0.302 -9.359 267 H TYR 37 HN TYR 37 6.721 1.221 -7.200 268 HA TYR 37 HA TYR 37 5.551 3.834 -7.798 269 1HB TYR 37 2HB TYR 37 5.123 3.585 -5.346 270 2HB TYR 37 1HB TYR 37 6.858 3.400 -5.094 271 HD1 TYR 37 1HD TYR 37 4.232 5.732 -6.323 272 HD2 TYR 37 2HD TYR 37 8.321 5.287 -5.087 273 HE1 TYR 37 1HE TYR 37 4.495 8.198 -6.302 274 HE2 TYR 37 2HE TYR 37 8.583 7.753 -5.063 275 HH TYR 37 HH TYR 37 6.928 9.789 -6.557 276 H ASN 38 HN ASN 38 7.131 5.300 -8.503 277 HA ASN 38 HA ASN 38 9.200 5.987 -9.357 278 1HB ASN 38 2HB ASN 38 9.693 5.457 -6.784 279 2HB ASN 38 1HB ASN 38 10.684 4.184 -7.496 280 1HD2 ASN 38 2HD2 ASN 38 12.456 7.614 -7.264 281 2HD2 ASN 38 1HD2 ASN 38 11.408 6.878 -6.151 282 H GLY 39 HN GLY 39 7.891 3.654 -10.510 283 1HA GLY 39 2HA GLY 39 8.362 1.993 -12.098 284 2HA GLY 39 1HA GLY 39 9.953 2.739 -12.250 285 H LYS 40 HN LYS 40 8.773 1.493 -9.193 286 HA LYS 40 HA LYS 40 10.533 -0.897 -9.476 287 1HB LYS 40 2HB LYS 40 10.489 1.001 -7.107 288 2HB LYS 40 1HB LYS 40 11.398 -0.509 -7.189 289 1HG LYS 40 2HG LYS 40 11.749 1.681 -9.240 290 2HG LYS 40 1HG LYS 40 12.692 1.637 -7.751 291 1HD LYS 40 2HD LYS 40 12.569 -0.912 -9.265 292 2HD LYS 40 1HD LYS 40 13.459 0.395 -10.044 293 1HE LYS 40 2HE LYS 40 14.398 0.603 -7.492 294 2HE LYS 40 1HE LYS 40 14.112 -1.134 -7.595 295 1HZ LYS 40 1HZ LYS 40 15.691 0.473 -9.530 296 2HZ LYS 40 3HZ LYS 40 16.336 -0.549 -8.340 297 3HZ LYS 40 2HZ LYS 40 15.424 -1.202 -9.616 298 H THR 41 HN THR 41 10.119 -2.291 -7.312 299 HA THR 41 HA THR 41 7.258 -2.128 -6.535 300 HB THR 41 HB THR 41 8.466 -4.723 -7.508 301 HG1 THR 41 HG1 THR 41 8.335 -3.706 -9.366 302 1HG2 THR 41 3HG2 THR 41 5.771 -3.754 -6.624 303 2HG2 THR 41 2HG2 THR 41 5.865 -5.054 -7.814 304 3HG2 THR 41 1HG2 THR 41 6.604 -5.257 -6.224 305 H VAL 42 HN VAL 42 7.346 -2.108 -4.357 306 HA VAL 42 HA VAL 42 9.412 -3.784 -2.994 307 HB VAL 42 HB VAL 42 8.579 -2.381 -0.932 308 1HG1 VAL 42 3HG1 VAL 42 10.757 -2.254 -2.554 309 2HG1 VAL 42 2HG1 VAL 42 10.119 -0.620 -2.736 310 3HG1 VAL 42 1HG1 VAL 42 10.522 -1.237 -1.132 311 1HG2 VAL 42 1HG2 VAL 42 6.775 -1.340 -2.585 312 2HG2 VAL 42 3HG2 VAL 42 7.516 -0.358 -1.323 313 3HG2 VAL 42 2HG2 VAL 42 8.101 -0.248 -2.982 314 H ASN 43 HN ASN 43 8.753 -5.209 -1.339 315 HA ASN 43 HA ASN 43 6.155 -6.407 -1.693 316 1HB ASN 43 2HB ASN 43 8.289 -7.552 -0.856 317 2HB ASN 43 1HB ASN 43 7.968 -6.786 0.700 318 1HD2 ASN 43 2HD2 ASN 43 6.321 -10.182 0.594 319 2HD2 ASN 43 1HD2 ASN 43 7.914 -9.655 0.338 320 H LEU 44 HN LEU 44 4.268 -6.012 -0.592 321 HA LEU 44 HA LEU 44 3.811 -3.615 0.816 322 1HB LEU 44 2HB LEU 44 2.150 -5.354 -0.202 323 2HB LEU 44 1HB LEU 44 2.230 -6.125 1.377 324 HG LEU 44 HG LEU 44 0.308 -4.550 1.151 325 1HD1 LEU 44 1HD1 LEU 44 1.917 -4.950 3.297 326 2HD1 LEU 44 3HD1 LEU 44 2.002 -3.193 3.157 327 3HD1 LEU 44 2HD1 LEU 44 0.439 -3.988 3.342 328 1HD2 LEU 44 1HD2 LEU 44 2.200 -2.873 -0.064 329 2HD2 LEU 44 3HD2 LEU 44 0.542 -2.452 0.357 330 3HD2 LEU 44 2HD2 LEU 44 1.853 -2.098 1.483 331 H LYS 45 HN LYS 45 5.070 -6.672 1.951 332 HA LYS 45 HA LYS 45 4.845 -5.865 4.790 333 1HB LYS 45 2HB LYS 45 6.009 -8.337 3.462 334 2HB LYS 45 1HB LYS 45 5.941 -8.080 5.206 335 1HG LYS 45 2HG LYS 45 3.982 -9.287 4.865 336 2HG LYS 45 1HG LYS 45 3.383 -7.634 4.737 337 1HD LYS 45 2HD LYS 45 2.846 -7.889 2.555 338 2HD LYS 45 1HD LYS 45 4.396 -8.642 2.180 339 1HE LYS 45 2HE LYS 45 2.423 -10.157 1.811 340 2HE LYS 45 1HE LYS 45 3.602 -10.798 2.953 341 1HZ LYS 45 1HZ LYS 45 1.365 -9.175 3.951 342 2HZ LYS 45 3HZ LYS 45 1.090 -10.797 3.540 343 3HZ LYS 45 2HZ LYS 45 2.237 -10.408 4.731 344 H SER 46 HN SER 46 6.281 -3.963 3.680 345 HA SER 46 HA SER 46 9.037 -4.460 4.634 346 1HB SER 46 2HB SER 46 8.682 -4.720 1.993 347 2HB SER 46 1HB SER 46 8.766 -2.960 2.051 348 HG SER 46 HG SER 46 10.707 -4.880 2.556 349 H ILE 47 HN ILE 47 8.417 -3.075 6.355 350 HA ILE 47 HA ILE 47 7.230 -0.487 5.944 351 HB ILE 47 HB ILE 47 8.879 -1.414 8.310 352 1HG1 ILE 47 2HG1 ILE 47 5.921 -1.750 7.673 353 2HG1 ILE 47 1HG1 ILE 47 7.108 -3.042 7.818 354 1HG2 ILE 47 3HG2 ILE 47 8.287 1.054 8.047 355 2HG2 ILE 47 2HG2 ILE 47 6.595 0.574 8.182 356 3HG2 ILE 47 1HG2 ILE 47 7.701 0.290 9.525 357 1HD1 ILE 47 2HD1 ILE 47 7.508 -2.299 10.200 358 2HD1 ILE 47 1HD1 ILE 47 6.131 -1.213 10.023 359 3HD1 ILE 47 3HD1 ILE 47 5.900 -2.956 9.899 360 H MET 48 HN MET 48 10.589 -1.591 6.306 361 HA MET 48 HA MET 48 11.634 1.146 6.174 362 1HB MET 48 2HB MET 48 12.714 -0.825 7.420 363 2HB MET 48 1HB MET 48 13.231 -1.396 5.832 364 1HG MET 48 2HG MET 48 14.659 0.410 5.496 365 2HG MET 48 1HG MET 48 13.758 1.458 6.593 366 1HE MET 48 2HE MET 48 13.779 1.697 8.636 367 2HE MET 48 1HE MET 48 14.619 0.852 9.935 368 3HE MET 48 3HE MET 48 15.464 2.079 8.980 369 H GLY 49 HN GLY 49 11.059 -1.524 3.969 370 1HA GLY 49 2HA GLY 49 12.710 -0.618 1.806 371 2HA GLY 49 1HA GLY 49 11.320 -1.693 1.643 372 H VAL 50 HN VAL 50 9.294 -0.005 2.620 373 HA VAL 50 HA VAL 50 8.743 1.598 0.292 374 HB VAL 50 HB VAL 50 7.395 1.705 3.010 375 1HG1 VAL 50 2HG1 VAL 50 6.523 2.521 0.223 376 2HG1 VAL 50 1HG1 VAL 50 5.438 2.432 1.609 377 3HG1 VAL 50 3HG1 VAL 50 6.772 3.585 1.607 378 1HG2 VAL 50 2HG2 VAL 50 7.623 -0.560 1.610 379 2HG2 VAL 50 1HG2 VAL 50 6.116 -0.132 2.417 380 3HG2 VAL 50 3HG2 VAL 50 6.305 0.164 0.689 381 H VAL 51 HN VAL 51 10.030 2.312 3.500 382 HA VAL 51 HA VAL 51 9.835 5.175 3.325 383 HB VAL 51 HB VAL 51 11.859 3.523 4.869 384 1HG1 VAL 51 3HG1 VAL 51 10.887 6.380 5.044 385 2HG1 VAL 51 2HG1 VAL 51 11.659 5.573 6.410 386 3HG1 VAL 51 1HG1 VAL 51 12.547 5.800 4.902 387 1HG2 VAL 51 3HG2 VAL 51 9.179 3.253 5.112 388 2HG2 VAL 51 2HG2 VAL 51 10.275 3.139 6.489 389 3HG2 VAL 51 1HG2 VAL 51 9.423 4.649 6.160 390 H SER 52 HN SER 52 12.141 2.840 2.081 391 HA SER 52 HA SER 52 14.326 4.604 1.571 392 1HB SER 52 2HB SER 52 15.155 2.905 0.111 393 2HB SER 52 1HB SER 52 14.299 2.055 1.394 394 HG SER 52 HG SER 52 13.402 1.183 -0.343 395 H LEU 53 HN LEU 53 11.359 3.941 -0.227 396 HA LEU 53 HA LEU 53 12.148 5.359 -2.623 397 1HB LEU 53 2HB LEU 53 9.461 4.538 -1.497 398 2HB LEU 53 1HB LEU 53 9.629 5.388 -3.035 399 HG LEU 53 HG LEU 53 11.456 3.444 -3.419 400 1HD1 LEU 53 1HD1 LEU 53 9.611 2.514 -1.268 401 2HD1 LEU 53 3HD1 LEU 53 10.008 1.362 -2.543 402 3HD1 LEU 53 2HD1 LEU 53 11.293 2.079 -1.572 403 1HD2 LEU 53 2HD2 LEU 53 8.462 3.398 -3.852 404 2HD2 LEU 53 1HD2 LEU 53 9.723 3.822 -5.010 405 3HD2 LEU 53 3HD2 LEU 53 9.518 2.145 -4.504 406 H GLY 54 HN GLY 54 10.166 6.256 0.212 407 1HA GLY 54 2HA GLY 54 9.789 8.380 1.152 408 2HA GLY 54 1HA GLY 54 11.044 9.014 0.085 409 H ILE 55 HN ILE 55 7.721 7.702 -0.165 410 HA ILE 55 HA ILE 55 7.183 9.229 -2.590 411 HB ILE 55 HB ILE 55 5.229 7.810 -0.750 412 1HG1 ILE 55 2HG1 ILE 55 6.216 6.633 -3.317 413 2HG1 ILE 55 1HG1 ILE 55 7.278 6.545 -1.913 414 1HG2 ILE 55 3HG2 ILE 55 5.084 8.820 -3.601 415 2HG2 ILE 55 2HG2 ILE 55 3.939 7.651 -2.942 416 3HG2 ILE 55 1HG2 ILE 55 4.050 9.266 -2.243 417 1HD1 ILE 55 2HD1 ILE 55 4.386 5.742 -1.684 418 2HD1 ILE 55 1HD1 ILE 55 5.585 4.606 -2.303 419 3HD1 ILE 55 3HD1 ILE 55 5.749 5.262 -0.675 420 H ALA 56 HN ALA 56 5.385 10.833 -2.686 421 HA ALA 56 HA ALA 56 5.027 12.336 -0.132 422 1HB ALA 56 1HB ALA 56 6.761 13.167 -2.069 423 2HB ALA 56 3HB ALA 56 5.277 13.968 -2.588 424 3HB ALA 56 2HB ALA 56 5.918 14.260 -0.969 425 H LYS 57 HN LYS 57 3.378 14.302 -0.852 426 HA LYS 57 HA LYS 57 0.896 12.942 -1.463 427 1HB LYS 57 2HB LYS 57 -0.071 15.256 -1.380 428 2HB LYS 57 1HB LYS 57 0.883 14.849 0.047 429 1HG LYS 57 2HG LYS 57 2.699 16.185 -0.633 430 2HG LYS 57 1HG LYS 57 2.152 16.234 -2.310 431 1HD LYS 57 2HD LYS 57 0.640 17.490 -0.002 432 2HD LYS 57 1HD LYS 57 1.748 18.376 -1.048 433 1HE LYS 57 2HE LYS 57 0.120 18.635 -2.578 434 2HE LYS 57 1HE LYS 57 -0.063 16.887 -2.707 435 1HZ LYS 57 3HZ LYS 57 -1.242 18.321 -0.424 436 2HZ LYS 57 2HZ LYS 57 -2.043 18.318 -1.922 437 3HZ LYS 57 1HZ LYS 57 -1.716 16.853 -1.128 438 H GLY 58 HN GLY 58 -0.470 13.330 -3.311 439 1HA GLY 58 2HA GLY 58 -0.923 13.712 -5.586 440 2HA GLY 58 1HA GLY 58 0.396 14.885 -5.584 441 H ALA 59 HN ALA 59 0.183 11.341 -5.101 442 HA ALA 59 HA ALA 59 2.198 11.029 -7.284 443 1HB ALA 59 1HB ALA 59 2.412 10.269 -4.443 444 2HB ALA 59 3HB ALA 59 2.810 8.969 -5.567 445 3HB ALA 59 2HB ALA 59 3.682 10.499 -5.644 446 H GLU 60 HN GLU 60 2.348 8.467 -7.700 447 HA GLU 60 HA GLU 60 -0.418 7.341 -7.644 448 1HB GLU 60 2HB GLU 60 1.463 7.518 -10.013 449 2HB GLU 60 1HB GLU 60 0.037 6.480 -9.980 450 1HG GLU 60 2HG GLU 60 -1.408 8.422 -9.618 451 2HG GLU 60 1HG GLU 60 0.001 9.483 -9.552 452 H ILE 61 HN ILE 61 -0.491 5.125 -7.285 453 HA ILE 61 HA ILE 61 2.082 3.624 -7.283 454 HB ILE 61 HB ILE 61 1.417 2.603 -5.084 455 1HG1 ILE 61 2HG1 ILE 61 -0.587 4.885 -5.044 456 2HG1 ILE 61 1HG1 ILE 61 -1.009 3.189 -5.282 457 1HG2 ILE 61 1HG2 ILE 61 1.769 5.617 -5.114 458 2HG2 ILE 61 3HG2 ILE 61 2.089 4.566 -3.736 459 3HG2 ILE 61 2HG2 ILE 61 3.069 4.429 -5.195 460 1HD1 ILE 61 2HD1 ILE 61 0.371 2.858 -3.051 461 2HD1 ILE 61 1HD1 ILE 61 -0.004 4.564 -2.814 462 3HD1 ILE 61 3HD1 ILE 61 -1.309 3.389 -2.985 463 H THR 62 HN THR 62 1.706 1.244 -7.244 464 HA THR 62 HA THR 62 -1.028 0.471 -8.161 465 HB THR 62 HB THR 62 1.335 -0.833 -9.443 466 HG1 THR 62 HG1 THR 62 1.339 0.852 -10.998 467 1HG2 THR 62 2HG2 THR 62 -1.547 -0.340 -9.970 468 2HG2 THR 62 1HG2 THR 62 -0.487 -0.368 -11.379 469 3HG2 THR 62 3HG2 THR 62 -0.568 -1.767 -10.309 470 H ILE 63 HN ILE 63 -1.755 -1.148 -6.896 471 HA ILE 63 HA ILE 63 0.230 -2.867 -5.481 472 HB ILE 63 HB ILE 63 -2.703 -2.323 -4.907 473 1HG1 ILE 63 2HG1 ILE 63 -0.197 -1.530 -3.389 474 2HG1 ILE 63 1HG1 ILE 63 -1.109 -0.451 -4.445 475 1HG2 ILE 63 1HG2 ILE 63 -0.672 -4.153 -3.631 476 2HG2 ILE 63 3HG2 ILE 63 -2.004 -3.486 -2.685 477 3HG2 ILE 63 2HG2 ILE 63 -2.340 -4.503 -4.088 478 1HD1 ILE 63 1HD1 ILE 63 -3.132 -1.316 -2.904 479 2HD1 ILE 63 3HD1 ILE 63 -1.813 -1.505 -1.749 480 3HD1 ILE 63 2HD1 ILE 63 -2.143 0.075 -2.460 481 H SER 64 HN SER 64 -0.041 -5.165 -5.547 482 HA SER 64 HA SER 64 -2.136 -6.272 -7.309 483 1HB SER 64 2HB SER 64 -0.235 -7.586 -8.515 484 2HB SER 64 1HB SER 64 -0.559 -5.927 -9.011 485 HG SER 64 HG SER 64 1.600 -7.014 -7.648 486 H ALA 65 HN ALA 65 -2.946 -7.850 -6.031 487 HA ALA 65 HA ALA 65 -1.158 -9.342 -4.192 488 1HB ALA 65 3HB ALA 65 -3.465 -8.426 -3.524 489 2HB ALA 65 2HB ALA 65 -4.143 -9.707 -4.530 490 3HB ALA 65 1HB ALA 65 -3.150 -10.116 -3.132 491 H SER 66 HN SER 66 -0.553 -11.455 -4.597 492 HA SER 66 HA SER 66 -1.996 -12.989 -6.687 493 1HB SER 66 2HB SER 66 0.521 -11.695 -7.121 494 2HB SER 66 1HB SER 66 0.790 -13.436 -7.122 495 HG SER 66 HG SER 66 0.176 -12.629 -9.184 496 H GLY 67 HN GLY 67 -2.621 -14.648 -5.340 497 1HA GLY 67 2HA GLY 67 -0.798 -16.684 -4.603 498 2HA GLY 67 1HA GLY 67 -1.072 -15.690 -3.172 499 H ALA 68 HN ALA 68 -2.576 -16.621 -1.890 500 HA ALA 68 HA ALA 68 -4.645 -18.373 -3.045 501 1HB ALA 68 1HB ALA 68 -3.692 -17.715 -0.274 502 2HB ALA 68 3HB ALA 68 -5.282 -18.448 -0.489 503 3HB ALA 68 2HB ALA 68 -3.840 -19.289 -1.056 504 H ASP 69 HN ASP 69 -4.930 -15.871 -0.513 505 HA ASP 69 HA ASP 69 -7.561 -15.114 -1.665 506 1HB ASP 69 2HB ASP 69 -7.789 -13.804 0.488 507 2HB ASP 69 1HB ASP 69 -7.620 -15.545 0.709 508 H GLU 70 HN GLU 70 -5.744 -14.258 -3.376 509 HA GLU 70 HA GLU 70 -4.459 -11.763 -2.841 510 1HB GLU 70 2HB GLU 70 -4.371 -11.527 -5.315 511 2HB GLU 70 1HB GLU 70 -3.864 -13.131 -4.786 512 1HG GLU 70 2HG GLU 70 -6.097 -14.026 -5.299 513 2HG GLU 70 1HG GLU 70 -6.640 -12.420 -5.785 514 H ASN 71 HN ASN 71 -7.766 -12.558 -3.698 515 HA ASN 71 HA ASN 71 -8.513 -9.860 -4.482 516 1HB ASN 71 2HB ASN 71 -10.002 -12.392 -3.843 517 2HB ASN 71 1HB ASN 71 -10.883 -10.870 -3.973 518 1HD2 ASN 71 2HD2 ASN 71 -11.051 -11.470 -7.453 519 2HD2 ASN 71 1HD2 ASN 71 -11.914 -11.265 -6.005 520 H ASP 72 HN ASP 72 -8.887 -11.787 -1.505 521 HA ASP 72 HA ASP 72 -10.232 -9.676 -0.051 522 1HB ASP 72 2HB ASP 72 -8.749 -12.117 0.967 523 2HB ASP 72 1HB ASP 72 -9.827 -11.101 1.925 524 H ALA 73 HN ALA 73 -6.907 -10.260 -0.822 525 HA ALA 73 HA ALA 73 -5.851 -8.810 1.487 526 1HB ALA 73 2HB ALA 73 -4.569 -10.605 0.301 527 2HB ALA 73 1HB ALA 73 -4.444 -9.532 -1.094 528 3HB ALA 73 3HB ALA 73 -3.691 -9.081 0.435 529 H LEU 74 HN LEU 74 -6.244 -8.096 -2.007 530 HA LEU 74 HA LEU 74 -5.123 -5.473 -1.846 531 1HB LEU 74 2HB LEU 74 -6.107 -5.075 -4.035 532 2HB LEU 74 1HB LEU 74 -5.446 -6.705 -3.976 533 HG LEU 74 HG LEU 74 -7.915 -7.316 -3.216 534 1HD1 LEU 74 1HD1 LEU 74 -8.202 -4.581 -3.684 535 2HD1 LEU 74 3HD1 LEU 74 -8.831 -5.317 -5.158 536 3HD1 LEU 74 2HD1 LEU 74 -9.516 -5.753 -3.593 537 1HD2 LEU 74 2HD2 LEU 74 -7.016 -6.715 -6.048 538 2HD2 LEU 74 1HD2 LEU 74 -6.847 -8.244 -5.185 539 3HD2 LEU 74 3HD2 LEU 74 -8.447 -7.666 -5.652 540 H ASN 75 HN ASN 75 -8.511 -6.570 -1.542 541 HA ASN 75 HA ASN 75 -9.488 -3.849 -1.205 542 1HB ASN 75 2HB ASN 75 -11.632 -4.916 -0.594 543 2HB ASN 75 1HB ASN 75 -10.980 -5.592 -2.084 544 1HD2 ASN 75 2HD2 ASN 75 -12.011 -8.474 0.017 545 2HD2 ASN 75 1HD2 ASN 75 -12.793 -7.187 -0.764 546 H ALA 76 HN ALA 76 -8.109 -6.261 0.891 547 HA ALA 76 HA ALA 76 -9.211 -5.314 3.376 548 1HB ALA 76 1HB ALA 76 -6.628 -6.770 2.735 549 2HB ALA 76 3HB ALA 76 -7.191 -6.451 4.376 550 3HB ALA 76 2HB ALA 76 -8.136 -7.484 3.305 551 H LEU 77 HN LEU 77 -5.958 -4.793 1.939 552 HA LEU 77 HA LEU 77 -5.203 -2.715 3.741 553 1HB LEU 77 2HB LEU 77 -4.293 -3.038 0.871 554 2HB LEU 77 1HB LEU 77 -3.431 -2.212 2.168 555 HG LEU 77 HG LEU 77 -4.074 -4.879 3.050 556 1HD1 LEU 77 3HD1 LEU 77 -3.958 -4.967 0.358 557 2HD1 LEU 77 2HD1 LEU 77 -2.235 -5.093 0.725 558 3HD1 LEU 77 1HD1 LEU 77 -3.367 -6.276 1.382 559 1HD2 LEU 77 2HD2 LEU 77 -1.482 -3.471 2.343 560 2HD2 LEU 77 1HD2 LEU 77 -2.228 -3.569 3.937 561 3HD2 LEU 77 3HD2 LEU 77 -1.570 -5.019 3.180 562 H GLU 78 HN GLU 78 -7.148 -2.684 0.814 563 HA GLU 78 HA GLU 78 -6.998 0.103 0.217 564 1HB GLU 78 2HB GLU 78 -8.012 -1.601 -1.284 565 2HB GLU 78 1HB GLU 78 -9.357 -1.769 -0.158 566 1HG GLU 78 2HG GLU 78 -10.330 0.174 -0.830 567 2HG GLU 78 1HG GLU 78 -8.787 1.016 -0.954 568 H GLU 79 HN GLU 79 -9.537 -1.626 2.087 569 HA GLU 79 HA GLU 79 -10.898 0.723 2.943 570 1HB GLU 79 2HB GLU 79 -11.833 -0.749 4.738 571 2HB GLU 79 1HB GLU 79 -11.937 -1.466 3.131 572 1HG GLU 79 2HG GLU 79 -10.057 -2.891 3.543 573 2HG GLU 79 1HG GLU 79 -9.645 -2.026 5.024 574 H THR 80 HN THR 80 -8.039 -0.894 4.217 575 HA THR 80 HA THR 80 -8.001 0.473 6.762 576 HB THR 80 HB THR 80 -5.676 -0.666 5.173 577 HG1 THR 80 HG1 THR 80 -7.460 -2.110 5.693 578 1HG2 THR 80 2HG2 THR 80 -6.032 0.265 8.013 579 2HG2 THR 80 1HG2 THR 80 -4.844 -0.980 7.624 580 3HG2 THR 80 3HG2 THR 80 -4.720 0.619 6.888 581 H MET 81 HN MET 81 -6.856 1.244 3.533 582 HA MET 81 HA MET 81 -5.268 3.539 4.295 583 1HB MET 81 2HB MET 81 -6.475 2.598 1.686 584 2HB MET 81 1HB MET 81 -5.560 4.100 1.804 585 1HG MET 81 2HG MET 81 -4.478 1.428 2.730 586 2HG MET 81 1HG MET 81 -4.195 2.077 1.114 587 1HE MET 81 2HE MET 81 -2.146 2.956 0.595 588 2HE MET 81 1HE MET 81 -3.048 4.468 0.671 589 3HE MET 81 3HE MET 81 -1.417 4.371 1.350 590 H LYS 82 HN LYS 82 -8.622 3.010 3.338 591 HA LYS 82 HA LYS 82 -9.290 5.836 3.204 592 1HB LYS 82 2HB LYS 82 -10.924 3.292 3.275 593 2HB LYS 82 1HB LYS 82 -11.674 4.891 3.252 594 1HG LYS 82 2HG LYS 82 -9.612 4.030 1.214 595 2HG LYS 82 1HG LYS 82 -11.342 3.793 0.972 596 1HD LYS 82 2HD LYS 82 -10.610 6.520 1.835 597 2HD LYS 82 1HD LYS 82 -9.966 6.064 0.258 598 1HE LYS 82 2HE LYS 82 -12.833 5.443 0.861 599 2HE LYS 82 1HE LYS 82 -12.393 7.106 0.470 600 1HZ LYS 82 2HZ LYS 82 -11.127 5.982 -1.472 601 2HZ LYS 82 1HZ LYS 82 -12.197 4.692 -1.195 602 3HZ LYS 82 3HZ LYS 82 -12.804 6.224 -1.593 603 H SER 83 HN SER 83 -9.094 3.462 5.747 604 HA SER 83 HA SER 83 -10.912 4.671 7.608 605 1HB SER 83 2HB SER 83 -9.863 3.280 9.268 606 2HB SER 83 1HB SER 83 -9.909 2.350 7.774 607 HG SER 83 HG SER 83 -7.850 2.255 8.717 608 H GLU 84 HN GLU 84 -7.360 4.957 7.261 609 HA GLU 84 HA GLU 84 -7.416 7.283 9.108 610 1HB GLU 84 2HB GLU 84 -5.206 5.559 7.992 611 2HB GLU 84 1HB GLU 84 -4.867 7.080 8.820 612 1HG GLU 84 2HG GLU 84 -6.737 5.190 10.169 613 2HG GLU 84 1HG GLU 84 -5.029 4.747 10.141 614 H GLY 85 HN GLY 85 -8.057 7.017 5.954 615 1HA GLY 85 2HA GLY 85 -7.893 8.476 4.130 616 2HA GLY 85 1HA GLY 85 -7.480 9.722 5.308 617 H LEU 86 HN LEU 86 -6.175 7.306 3.121 618 HA LEU 86 HA LEU 86 -3.520 8.657 3.338 619 1HB LEU 86 2HB LEU 86 -4.148 5.708 3.365 620 2HB LEU 86 1HB LEU 86 -2.580 6.298 2.811 621 HG LEU 86 HG LEU 86 -3.804 6.996 5.495 622 1HD1 LEU 86 3HD1 LEU 86 -3.203 4.551 5.174 623 2HD1 LEU 86 2HD1 LEU 86 -1.537 5.072 4.921 624 3HD1 LEU 86 1HD1 LEU 86 -2.328 5.368 6.469 625 1HD2 LEU 86 2HD2 LEU 86 -1.147 7.518 4.150 626 2HD2 LEU 86 1HD2 LEU 86 -2.250 8.685 4.879 627 3HD2 LEU 86 3HD2 LEU 86 -1.324 7.588 5.903 628 H GLY 87 HN GLY 87 -5.189 6.174 1.363 629 1HA GLY 87 2HA GLY 87 -4.672 7.836 -1.048 630 2HA GLY 87 1HA GLY 87 -4.079 6.175 -1.038 631 H GLU 88 HN GLU 88 -6.151 7.397 -2.768 632 HA GLU 88 HA GLU 88 -8.344 5.472 -2.141 633 1HB GLU 88 2HB GLU 88 -9.974 7.184 -2.982 634 2HB GLU 88 1HB GLU 88 -9.178 7.660 -1.482 635 1HG GLU 88 2HG GLU 88 -7.820 9.239 -2.547 636 2HG GLU 88 1HG GLU 88 -7.990 8.464 -4.124 No H/Q in entry = 636 Start of MODEL 18 1 1H ALA 2 3HT ALA 2 -6.996 -8.478 -10.114 2 2H ALA 2 2HT ALA 2 -6.077 -9.876 -9.810 3 3H ALA 2 1HT ALA 2 -7.775 -9.947 -9.774 4 HA ALA 2 HA ALA 2 -7.936 -8.856 -7.766 5 1HB ALA 2 3HB ALA 2 -6.375 -11.097 -7.927 6 2HB ALA 2 2HB ALA 2 -5.290 -9.986 -7.092 7 3HB ALA 2 1HB ALA 2 -6.877 -10.348 -6.411 8 H GLN 3 HN GLN 3 -5.010 -8.073 -9.517 9 HA GLN 3 HA GLN 3 -3.839 -6.297 -7.597 10 1HB GLN 3 2HB GLN 3 -2.710 -5.283 -9.615 11 2HB GLN 3 1HB GLN 3 -2.513 -7.028 -9.476 12 1HG GLN 3 2HG GLN 3 -4.018 -7.469 -11.217 13 2HG GLN 3 1HG GLN 3 -4.802 -5.896 -11.064 14 1HE2 GLN 3 2HE2 GLN 3 -1.309 -6.197 -13.199 15 2HE2 GLN 3 1HE2 GLN 3 -1.749 -7.444 -12.134 16 H LYS 4 HN LYS 4 -3.936 -3.981 -7.524 17 HA LYS 4 HA LYS 4 -6.076 -2.635 -9.053 18 1HB LYS 4 2HB LYS 4 -6.221 -3.276 -6.147 19 2HB LYS 4 1HB LYS 4 -6.741 -1.662 -6.635 20 1HG LYS 4 2HG LYS 4 -7.981 -3.122 -8.542 21 2HG LYS 4 1HG LYS 4 -7.960 -4.306 -7.234 22 1HD LYS 4 2HD LYS 4 -8.902 -2.486 -5.727 23 2HD LYS 4 1HD LYS 4 -9.150 -1.524 -7.183 24 1HE LYS 4 2HE LYS 4 -10.206 -4.110 -7.723 25 2HE LYS 4 1HE LYS 4 -10.798 -3.633 -6.132 26 1HZ LYS 4 2HZ LYS 4 -10.861 -1.729 -8.379 27 2HZ LYS 4 1HZ LYS 4 -12.087 -2.891 -8.209 28 3HZ LYS 4 3HZ LYS 4 -11.817 -1.759 -6.975 29 H THR 5 HN THR 5 -5.582 -0.490 -9.392 30 HA THR 5 HA THR 5 -2.984 0.459 -8.348 31 HB THR 5 HB THR 5 -4.870 1.814 -10.299 32 HG1 THR 5 HG1 THR 5 -3.566 0.870 -11.872 33 1HG2 THR 5 2HG2 THR 5 -2.893 3.011 -9.011 34 2HG2 THR 5 1HG2 THR 5 -1.899 2.175 -10.204 35 3HG2 THR 5 3HG2 THR 5 -3.147 3.305 -10.731 36 H PHE 6 HN PHE 6 -2.773 2.182 -6.926 37 HA PHE 6 HA PHE 6 -5.316 3.409 -5.935 38 1HB PHE 6 2HB PHE 6 -2.869 2.505 -4.399 39 2HB PHE 6 1HB PHE 6 -4.090 3.577 -3.710 40 HD1 PHE 6 1HD PHE 6 -3.874 0.346 -5.615 41 HD2 PHE 6 2HD PHE 6 -5.868 2.613 -2.560 42 HE1 PHE 6 1HE PHE 6 -5.305 -1.613 -5.096 43 HE2 PHE 6 2HE PHE 6 -7.299 0.657 -2.043 44 HZ PHE 6 HZ PHE 6 -7.019 -1.456 -3.309 45 H LYS 7 HN LYS 7 -4.844 5.542 -4.763 46 HA LYS 7 HA LYS 7 -2.725 7.046 -6.254 47 1HB LYS 7 2HB LYS 7 -5.286 7.506 -6.644 48 2HB LYS 7 1HB LYS 7 -5.172 8.362 -5.107 49 1HG LYS 7 2HG LYS 7 -4.685 10.057 -6.644 50 2HG LYS 7 1HG LYS 7 -3.075 9.496 -6.188 51 1HD LYS 7 2HD LYS 7 -3.100 9.638 -8.584 52 2HD LYS 7 1HD LYS 7 -3.175 7.924 -8.177 53 1HE LYS 7 2HE LYS 7 -4.948 7.918 -9.614 54 2HE LYS 7 1HE LYS 7 -5.832 8.551 -8.226 55 1HZ LYS 7 3HZ LYS 7 -4.389 10.372 -10.038 56 2HZ LYS 7 2HZ LYS 7 -5.944 9.815 -10.437 57 3HZ LYS 7 1HZ LYS 7 -5.697 10.703 -9.010 58 H VAL 8 HN VAL 8 -1.340 8.294 -5.028 59 HA VAL 8 HA VAL 8 -1.517 7.981 -2.093 60 HB VAL 8 HB VAL 8 0.649 9.342 -3.720 61 1HG1 VAL 8 3HG1 VAL 8 0.402 9.697 -1.172 62 2HG1 VAL 8 2HG1 VAL 8 0.871 8.003 -1.024 63 3HG1 VAL 8 1HG1 VAL 8 1.975 9.163 -1.765 64 1HG2 VAL 8 2HG2 VAL 8 0.384 6.457 -2.812 65 2HG2 VAL 8 1HG2 VAL 8 0.406 7.029 -4.480 66 3HG2 VAL 8 3HG2 VAL 8 1.853 7.163 -3.483 67 H THR 9 HN THR 9 -2.842 9.463 -1.134 68 HA THR 9 HA THR 9 -2.440 12.333 -1.871 69 HB THR 9 HB THR 9 -5.099 11.263 -0.937 70 HG1 THR 9 HG1 THR 9 -5.646 10.857 -3.003 71 1HG2 THR 9 2HG2 THR 9 -4.090 13.729 -2.351 72 2HG2 THR 9 1HG2 THR 9 -5.798 13.290 -2.368 73 3HG2 THR 9 3HG2 THR 9 -4.988 13.625 -0.837 74 H ALA 10 HN ALA 10 -1.442 10.475 0.375 75 HA ALA 10 HA ALA 10 -2.732 11.479 2.782 76 1HB ALA 10 3HB ALA 10 -1.623 9.256 2.705 77 2HB ALA 10 2HB ALA 10 -0.073 10.057 2.456 78 3HB ALA 10 1HB ALA 10 -0.948 10.282 3.970 79 H ASP 11 HN ASP 11 -1.581 12.808 4.397 80 HA ASP 11 HA ASP 11 -0.401 15.158 3.227 81 1HB ASP 11 2HB ASP 11 -1.503 14.465 5.710 82 2HB ASP 11 1HB ASP 11 0.183 14.830 6.073 83 H SER 12 HN SER 12 1.046 12.809 5.518 84 HA SER 12 HA SER 12 3.745 13.687 4.951 85 1HB SER 12 2HB SER 12 4.261 11.402 6.118 86 2HB SER 12 1HB SER 12 3.517 12.690 7.061 87 HG SER 12 HG SER 12 1.776 11.523 7.230 88 H GLY 13 HN GLY 13 1.609 11.239 3.622 89 1HA GLY 13 2HA GLY 13 1.984 10.484 1.311 90 2HA GLY 13 1HA GLY 13 3.720 10.589 1.612 91 H ILE 14 HN ILE 14 4.320 8.455 1.306 92 HA ILE 14 HA ILE 14 3.021 6.451 3.107 93 HB ILE 14 HB ILE 14 4.302 5.893 0.417 94 1HG1 ILE 14 2HG1 ILE 14 1.358 5.995 1.149 95 2HG1 ILE 14 1HG1 ILE 14 2.205 7.257 0.256 96 1HG2 ILE 14 1HG2 ILE 14 3.112 4.258 2.596 97 2HG2 ILE 14 3HG2 ILE 14 2.669 3.801 0.950 98 3HG2 ILE 14 2HG2 ILE 14 4.367 3.838 1.428 99 1HD1 ILE 14 1HD1 ILE 14 2.433 4.448 -0.740 100 2HD1 ILE 14 3HD1 ILE 14 0.914 5.302 -1.014 101 3HD1 ILE 14 2HD1 ILE 14 2.422 5.961 -1.646 102 1HN HIP 15 HN HIP 15 4.767 7.330 4.588 103 HA HIP 15 HA HIP 15 7.448 6.262 3.919 104 1HB HIP 15 1HB HIP 15 7.223 8.670 4.626 105 2HB HIP 15 2HB HIP 15 8.352 7.732 5.580 106 HD2 HIP 15 2HD HIP 15 4.462 8.383 6.121 107 HE2 HIP 15 2HE HIP 15 4.229 9.034 8.623 108 HE1 HIP 15 1HE HIP 15 6.498 9.058 9.741 109 H ALA 16 HN ALA 16 7.955 6.217 7.004 110 HA ALA 16 HA ALA 16 7.516 3.395 7.276 111 1HB ALA 16 1HB ALA 16 9.215 5.159 8.429 112 2HB ALA 16 3HB ALA 16 8.048 4.950 9.735 113 3HB ALA 16 2HB ALA 16 8.892 3.549 9.073 114 H ARG 17 HN ARG 17 5.872 6.184 8.843 115 HA ARG 17 HA ARG 17 4.286 4.728 10.654 116 1HB ARG 17 2HB ARG 17 4.434 7.378 9.860 117 2HB ARG 17 1HB ARG 17 2.793 6.920 9.408 118 1HG ARG 17 2HG ARG 17 2.549 7.614 11.639 119 2HG ARG 17 1HG ARG 17 2.685 5.862 11.785 120 1HD ARG 17 2HD ARG 17 5.333 6.718 11.833 121 2HD ARG 17 1HD ARG 17 4.483 7.950 12.767 122 HE ARG 17 HE ARG 17 4.976 5.247 13.627 123 1HH1 ARG 17 HH11 ARG 17 2.380 4.553 13.938 124 2HH1 ARG 17 HH12 ARG 17 1.736 5.465 15.262 125 1HH2 ARG 17 HH21 ARG 17 4.271 7.831 15.210 126 2HH2 ARG 17 HH22 ARG 17 2.808 7.320 15.984 127 HA PRO 18 HA PRO 18 0.873 4.124 7.380 128 1HB PRO 18 2HB PRO 18 1.473 4.644 4.744 129 2HB PRO 18 1HB PRO 18 0.730 5.823 5.838 130 1HG PRO 18 2HG PRO 18 3.547 5.677 4.864 131 2HG PRO 18 1HG PRO 18 2.597 7.093 5.343 132 1HD PRO 18 2HD PRO 18 4.554 5.850 6.920 133 2HD PRO 18 1HD PRO 18 3.309 6.960 7.523 134 H ALA 19 HN ALA 19 4.214 3.398 6.662 135 HA ALA 19 HA ALA 19 3.680 1.032 5.052 136 1HB ALA 19 1HB ALA 19 6.173 1.862 6.573 137 2HB ALA 19 3HB ALA 19 6.086 0.571 5.375 138 3HB ALA 19 2HB ALA 19 5.826 2.245 4.887 139 H THR 20 HN THR 20 3.758 1.760 8.454 140 HA THR 20 HA THR 20 4.152 -1.027 9.279 141 HB THR 20 HB THR 20 3.085 1.058 11.138 142 HG1 THR 20 HG1 THR 20 5.110 1.985 11.288 143 1HG2 THR 20 1HG2 THR 20 5.033 -1.240 11.242 144 2HG2 THR 20 3HG2 THR 20 4.958 -0.043 12.533 145 3HG2 THR 20 2HG2 THR 20 3.542 -1.023 12.157 146 H VAL 21 HN VAL 21 1.514 1.242 8.768 147 HA VAL 21 HA VAL 21 -0.533 -0.376 10.039 148 HB VAL 21 HB VAL 21 -0.931 1.646 7.841 149 1HG1 VAL 21 1HG1 VAL 21 -2.641 0.502 10.048 150 2HG1 VAL 21 3HG1 VAL 21 -3.064 2.005 9.229 151 3HG1 VAL 21 2HG1 VAL 21 -2.958 0.502 8.313 152 1HG2 VAL 21 2HG2 VAL 21 -0.316 2.008 10.764 153 2HG2 VAL 21 1HG2 VAL 21 0.316 2.904 9.383 154 3HG2 VAL 21 3HG2 VAL 21 -1.338 3.179 9.931 155 H LEU 22 HN LEU 22 0.536 0.129 6.714 156 HA LEU 22 HA LEU 22 -1.329 -1.682 5.505 157 1HB LEU 22 2HB LEU 22 1.344 -0.600 4.589 158 2HB LEU 22 1HB LEU 22 0.244 -1.519 3.556 159 HG LEU 22 HG LEU 22 -0.516 1.034 5.008 160 1HD1 LEU 22 1HD1 LEU 22 0.497 0.501 2.208 161 2HD1 LEU 22 3HD1 LEU 22 -0.504 1.909 2.571 162 3HD1 LEU 22 2HD1 LEU 22 1.059 1.710 3.366 163 1HD2 LEU 22 2HD2 LEU 22 -1.874 -0.756 2.977 164 2HD2 LEU 22 1HD2 LEU 22 -2.469 -0.269 4.565 165 3HD2 LEU 22 3HD2 LEU 22 -2.390 0.908 3.254 166 H VAL 23 HN VAL 23 2.145 -2.071 6.348 167 HA VAL 23 HA VAL 23 2.429 -4.737 5.451 168 HB VAL 23 HB VAL 23 4.331 -3.325 6.183 169 1HG1 VAL 23 2HG1 VAL 23 3.001 -2.489 8.236 170 2HG1 VAL 23 1HG1 VAL 23 3.561 -3.961 9.029 171 3HG1 VAL 23 3HG1 VAL 23 4.727 -2.776 8.442 172 1HG2 VAL 23 3HG2 VAL 23 4.120 -6.020 6.395 173 2HG2 VAL 23 2HG2 VAL 23 5.601 -5.141 6.775 174 3HG2 VAL 23 1HG2 VAL 23 4.502 -5.619 8.070 175 H GLN 24 HN GLN 24 0.923 -3.502 8.372 176 HA GLN 24 HA GLN 24 0.821 -6.035 9.771 177 1HB GLN 24 2HB GLN 24 -0.724 -3.449 10.055 178 2HB GLN 24 1HB GLN 24 -1.009 -4.843 11.095 179 1HG GLN 24 2HG GLN 24 1.834 -4.192 10.845 180 2HG GLN 24 1HG GLN 24 0.895 -2.869 11.530 181 1HE2 GLN 24 2HE2 GLN 24 1.228 -4.521 14.642 182 2HE2 GLN 24 1HE2 GLN 24 1.597 -3.140 13.726 183 H THR 25 HN THR 25 -1.348 -4.356 7.526 184 HA THR 25 HA THR 25 -3.552 -6.208 7.864 185 HB THR 25 HB THR 25 -3.083 -4.584 5.370 186 HG1 THR 25 HG1 THR 25 -4.065 -3.635 7.854 187 1HG2 THR 25 3HG2 THR 25 -5.096 -6.195 5.915 188 2HG2 THR 25 2HG2 THR 25 -5.645 -4.844 6.907 189 3HG2 THR 25 1HG2 THR 25 -5.402 -4.623 5.175 190 H ALA 26 HN ALA 26 -1.308 -5.751 5.104 191 HA ALA 26 HA ALA 26 -2.054 -8.051 3.656 192 1HB ALA 26 1HB ALA 26 0.626 -6.652 3.832 193 2HB ALA 26 3HB ALA 26 0.239 -7.890 2.638 194 3HB ALA 26 2HB ALA 26 -0.645 -6.364 2.645 195 H SER 27 HN SER 27 -0.120 -7.809 6.553 196 HA SER 27 HA SER 27 1.382 -10.221 6.349 197 1HB SER 27 2HB SER 27 1.689 -10.061 8.712 198 2HB SER 27 1HB SER 27 1.578 -8.402 8.134 199 HG SER 27 HG SER 27 0.175 -8.479 9.794 200 H LYS 28 HN LYS 28 -1.906 -9.630 7.575 201 HA LYS 28 HA LYS 28 -2.433 -12.304 8.440 202 1HB LYS 28 2HB LYS 28 -4.180 -9.999 7.584 203 2HB LYS 28 1HB LYS 28 -4.884 -11.567 7.980 204 1HG LYS 28 2HG LYS 28 -4.924 -10.606 10.078 205 2HG LYS 28 1HG LYS 28 -3.309 -11.316 10.122 206 1HD LYS 28 2HD LYS 28 -2.252 -9.259 9.731 207 2HD LYS 28 1HD LYS 28 -3.708 -8.534 9.047 208 1HE LYS 28 2HE LYS 28 -3.669 -9.438 11.917 209 2HE LYS 28 1HE LYS 28 -3.007 -7.866 11.469 210 1HZ LYS 28 2HZ LYS 28 -5.225 -7.594 10.226 211 2HZ LYS 28 1HZ LYS 28 -5.776 -8.843 11.237 212 3HZ LYS 28 3HZ LYS 28 -5.208 -7.395 11.912 213 H TYR 29 HN TYR 29 -2.475 -10.795 5.273 214 HA TYR 29 HA TYR 29 -3.777 -13.173 4.078 215 1HB TYR 29 2HB TYR 29 -2.819 -10.617 2.746 216 2HB TYR 29 1HB TYR 29 -3.822 -11.870 2.012 217 HD1 TYR 29 2HD TYR 29 -6.096 -12.380 3.022 218 HD2 TYR 29 1HD TYR 29 -3.791 -8.921 4.105 219 HE1 TYR 29 2HE TYR 29 -8.128 -11.321 3.968 220 HE2 TYR 29 1HE TYR 29 -5.825 -7.863 5.051 221 HH TYR 29 HH TYR 29 -8.364 -9.272 5.986 222 H ASP 30 HN ASP 30 -2.638 -14.734 3.054 223 HA ASP 30 HA ASP 30 0.290 -14.602 3.085 224 1HB ASP 30 2HB ASP 30 -1.535 -16.776 2.021 225 2HB ASP 30 1HB ASP 30 0.188 -16.931 2.365 226 H ALA 31 HN ALA 31 -2.145 -13.754 0.832 227 HA ALA 31 HA ALA 31 -1.013 -14.518 -1.645 228 1HB ALA 31 3HB ALA 31 -2.793 -12.287 -0.742 229 2HB ALA 31 2HB ALA 31 -2.115 -12.216 -2.368 230 3HB ALA 31 1HB ALA 31 -3.121 -13.584 -1.890 231 H ASP 32 HN ASP 32 0.301 -13.265 -3.139 232 HA ASP 32 HA ASP 32 2.430 -11.770 -1.745 233 1HB ASP 32 2HB ASP 32 2.118 -13.021 -4.455 234 2HB ASP 32 1HB ASP 32 3.342 -11.773 -4.221 235 H VAL 33 HN VAL 33 1.090 -9.878 -1.281 236 HA VAL 33 HA VAL 33 0.180 -8.277 -3.589 237 HB VAL 33 HB VAL 33 -0.704 -6.738 -1.868 238 1HG1 VAL 33 2HG1 VAL 33 -1.415 -9.544 -2.162 239 2HG1 VAL 33 1HG1 VAL 33 -1.836 -8.959 -0.552 240 3HG1 VAL 33 3HG1 VAL 33 -2.466 -8.142 -1.982 241 1HG2 VAL 33 2HG2 VAL 33 1.187 -8.222 -0.201 242 2HG2 VAL 33 1HG2 VAL 33 0.420 -6.665 0.097 243 3HG2 VAL 33 3HG2 VAL 33 -0.416 -8.155 0.527 244 H ASN 34 HN ASN 34 1.537 -6.854 -4.557 245 HA ASN 34 HA ASN 34 3.778 -5.718 -2.929 246 1HB ASN 34 2HB ASN 34 3.852 -6.375 -5.886 247 2HB ASN 34 1HB ASN 34 5.195 -5.799 -4.899 248 1HD2 ASN 34 2HD2 ASN 34 5.391 -9.547 -5.169 249 2HD2 ASN 34 1HD2 ASN 34 5.354 -8.287 -6.306 250 H LEU 35 HN LEU 35 3.748 -3.538 -2.823 251 HA LEU 35 HA LEU 35 1.908 -2.025 -4.577 252 1HB LEU 35 2HB LEU 35 2.004 -1.609 -2.100 253 2HB LEU 35 1HB LEU 35 3.656 -1.028 -2.305 254 HG LEU 35 HG LEU 35 1.664 0.186 -4.133 255 1HD1 LEU 35 3HD1 LEU 35 0.652 -0.119 -1.691 256 2HD1 LEU 35 2HD1 LEU 35 1.689 1.264 -1.342 257 3HD1 LEU 35 1HD1 LEU 35 0.441 1.389 -2.581 258 1HD2 LEU 35 3HD2 LEU 35 4.104 0.828 -3.881 259 2HD2 LEU 35 2HD2 LEU 35 2.972 2.168 -3.694 260 3HD2 LEU 35 1HD2 LEU 35 3.708 1.430 -2.271 261 H GLU 36 HN GLU 36 2.700 -0.154 -5.805 262 HA GLU 36 HA GLU 36 5.614 -0.360 -6.462 263 1HB GLU 36 2HB GLU 36 4.093 -1.211 -8.270 264 2HB GLU 36 1HB GLU 36 3.387 0.402 -8.372 265 1HG GLU 36 2HG GLU 36 5.496 1.369 -9.030 266 2HG GLU 36 1HG GLU 36 6.351 -0.136 -8.693 267 H TYR 37 HN TYR 37 6.591 1.641 -7.208 268 HA TYR 37 HA TYR 37 5.123 4.147 -6.624 269 1HB TYR 37 2HB TYR 37 6.266 3.458 -4.499 270 2HB TYR 37 1HB TYR 37 7.805 3.494 -5.360 271 HD1 TYR 37 1HD TYR 37 4.784 5.728 -5.221 272 HD2 TYR 37 2HD TYR 37 9.055 5.399 -4.889 273 HE1 TYR 37 1HE TYR 37 4.943 8.172 -4.840 274 HE2 TYR 37 2HE TYR 37 9.214 7.845 -4.508 275 HH TYR 37 HH TYR 37 6.475 9.780 -3.832 276 H ASN 38 HN ASN 38 5.307 4.800 -8.764 277 HA ASN 38 HA ASN 38 6.333 5.859 -10.581 278 1HB ASN 38 2HB ASN 38 8.285 6.143 -8.497 279 2HB ASN 38 1HB ASN 38 9.132 5.696 -9.975 280 1HD2 ASN 38 2HD2 ASN 38 8.341 9.468 -9.697 281 2HD2 ASN 38 1HD2 ASN 38 8.842 8.388 -8.487 282 H GLY 39 HN GLY 39 9.079 3.737 -9.732 283 1HA GLY 39 2HA GLY 39 8.247 1.823 -11.826 284 2HA GLY 39 1HA GLY 39 9.784 2.653 -12.067 285 H LYS 40 HN LYS 40 8.689 1.843 -8.842 286 HA LYS 40 HA LYS 40 10.704 -0.368 -8.750 287 1HB LYS 40 2HB LYS 40 10.099 1.627 -6.545 288 2HB LYS 40 1HB LYS 40 11.312 0.347 -6.495 289 1HG LYS 40 2HG LYS 40 12.234 1.487 -8.662 290 2HG LYS 40 1HG LYS 40 11.315 2.887 -8.106 291 1HD LYS 40 2HD LYS 40 12.506 2.898 -5.990 292 2HD LYS 40 1HD LYS 40 13.339 1.401 -6.410 293 1HE LYS 40 2HE LYS 40 14.954 2.959 -7.004 294 2HE LYS 40 1HE LYS 40 14.090 2.794 -8.533 295 1HZ LYS 40 1HZ LYS 40 13.556 4.871 -6.479 296 2HZ LYS 40 3HZ LYS 40 14.424 5.117 -7.915 297 3HZ LYS 40 2HZ LYS 40 12.772 4.723 -7.979 298 H THR 41 HN THR 41 9.723 -2.259 -8.237 299 HA THR 41 HA THR 41 7.038 -2.183 -6.986 300 HB THR 41 HB THR 41 8.571 -4.566 -8.064 301 HG1 THR 41 HG1 THR 41 7.938 -3.954 -9.957 302 1HG2 THR 41 2HG2 THR 41 6.520 -4.730 -6.408 303 2HG2 THR 41 1HG2 THR 41 5.589 -4.340 -7.854 304 3HG2 THR 41 3HG2 THR 41 6.604 -5.782 -7.823 305 H VAL 42 HN VAL 42 7.307 -1.911 -4.797 306 HA VAL 42 HA VAL 42 9.205 -3.732 -3.387 307 HB VAL 42 HB VAL 42 8.451 -2.222 -1.358 308 1HG1 VAL 42 3HG1 VAL 42 10.499 -1.887 -3.448 309 2HG1 VAL 42 2HG1 VAL 42 10.199 -0.442 -2.482 310 3HG1 VAL 42 1HG1 VAL 42 10.668 -1.949 -1.693 311 1HG2 VAL 42 3HG2 VAL 42 6.747 -1.049 -2.940 312 2HG2 VAL 42 2HG2 VAL 42 7.712 -0.040 -1.861 313 3HG2 VAL 42 1HG2 VAL 42 8.152 -0.183 -3.563 314 H ASN 43 HN ASN 43 8.434 -5.071 -1.705 315 HA ASN 43 HA ASN 43 5.726 -6.035 -2.053 316 1HB ASN 43 2HB ASN 43 7.925 -7.251 -1.183 317 2HB ASN 43 1HB ASN 43 7.331 -6.707 0.386 318 1HD2 ASN 43 2HD2 ASN 43 5.426 -9.735 -1.548 319 2HD2 ASN 43 1HD2 ASN 43 6.748 -8.942 -2.258 320 H LEU 44 HN LEU 44 3.938 -5.695 -0.722 321 HA LEU 44 HA LEU 44 3.693 -3.233 0.669 322 1HB LEU 44 2HB LEU 44 1.859 -4.837 -0.251 323 2HB LEU 44 1HB LEU 44 2.006 -5.662 1.296 324 HG LEU 44 HG LEU 44 0.166 -3.966 1.241 325 1HD1 LEU 44 3HD1 LEU 44 1.870 -4.559 3.265 326 2HD1 LEU 44 2HD1 LEU 44 2.061 -2.806 3.191 327 3HD1 LEU 44 1HD1 LEU 44 0.464 -3.510 3.439 328 1HD2 LEU 44 3HD2 LEU 44 1.497 -2.347 -0.236 329 2HD2 LEU 44 2HD2 LEU 44 0.615 -1.624 1.111 330 3HD2 LEU 44 1HD2 LEU 44 2.355 -1.876 1.231 331 H LYS 45 HN LYS 45 4.720 -6.411 1.739 332 HA LYS 45 HA LYS 45 4.770 -5.563 4.571 333 1HB LYS 45 2HB LYS 45 5.686 -8.167 3.302 334 2HB LYS 45 1HB LYS 45 5.479 -7.862 5.028 335 1HG LYS 45 2HG LYS 45 3.412 -8.766 4.662 336 2HG LYS 45 1HG LYS 45 3.026 -7.130 4.125 337 1HD LYS 45 2HD LYS 45 3.042 -7.709 1.892 338 2HD LYS 45 1HD LYS 45 4.232 -8.990 2.124 339 1HE LYS 45 2HE LYS 45 1.541 -9.305 3.397 340 2HE LYS 45 1HE LYS 45 1.683 -9.574 1.660 341 1HZ LYS 45 3HZ LYS 45 3.337 -10.893 3.742 342 2HZ LYS 45 2HZ LYS 45 2.033 -11.610 2.923 343 3HZ LYS 45 1HZ LYS 45 3.436 -11.170 2.072 344 H SER 46 HN SER 46 6.348 -3.824 3.486 345 HA SER 46 HA SER 46 9.077 -4.671 4.237 346 1HB SER 46 2HB SER 46 8.541 -4.877 1.623 347 2HB SER 46 1HB SER 46 8.853 -3.143 1.670 348 HG SER 46 HG SER 46 10.552 -5.263 2.494 349 H ILE 47 HN ILE 47 8.491 -3.203 6.000 350 HA ILE 47 HA ILE 47 7.788 -0.459 5.580 351 HB ILE 47 HB ILE 47 9.271 -1.647 7.939 352 1HG1 ILE 47 2HG1 ILE 47 6.296 -1.420 7.347 353 2HG1 ILE 47 1HG1 ILE 47 7.218 -2.914 7.462 354 1HG2 ILE 47 2HG2 ILE 47 9.029 0.933 7.552 355 2HG2 ILE 47 1HG2 ILE 47 7.338 0.666 7.974 356 3HG2 ILE 47 3HG2 ILE 47 8.608 0.270 9.131 357 1HD1 ILE 47 2HD1 ILE 47 7.853 -1.941 9.853 358 2HD1 ILE 47 1HD1 ILE 47 6.336 -1.068 9.641 359 3HD1 ILE 47 3HD1 ILE 47 6.350 -2.831 9.604 360 H MET 48 HN MET 48 10.919 -2.102 5.907 361 HA MET 48 HA MET 48 12.471 0.349 5.888 362 1HB MET 48 2HB MET 48 13.239 -1.886 6.807 363 2HB MET 48 1HB MET 48 13.409 -2.429 5.138 364 1HG MET 48 2HG MET 48 15.539 -1.625 5.428 365 2HG MET 48 1HG MET 48 14.762 -0.114 4.957 366 1HE MET 48 3HE MET 48 16.106 1.544 5.890 367 2HE MET 48 2HE MET 48 16.790 1.629 7.510 368 3HE MET 48 1HE MET 48 17.359 0.398 6.386 369 H GLY 49 HN GLY 49 11.081 -1.701 3.423 370 1HA GLY 49 2HA GLY 49 12.804 -0.737 1.276 371 2HA GLY 49 1HA GLY 49 11.342 -1.701 1.076 372 H VAL 50 HN VAL 50 9.696 0.186 2.658 373 HA VAL 50 HA VAL 50 9.050 2.023 0.474 374 HB VAL 50 HB VAL 50 7.850 1.832 3.257 375 1HG1 VAL 50 1HG1 VAL 50 7.435 3.955 1.968 376 2HG1 VAL 50 3HG1 VAL 50 6.693 2.980 0.699 377 3HG1 VAL 50 2HG1 VAL 50 5.971 3.032 2.308 378 1HG2 VAL 50 3HG2 VAL 50 7.572 0.179 0.824 379 2HG2 VAL 50 2HG2 VAL 50 7.152 -0.197 2.494 380 3HG2 VAL 50 1HG2 VAL 50 6.039 0.735 1.497 381 H VAL 51 HN VAL 51 10.425 2.268 3.738 382 HA VAL 51 HA VAL 51 10.469 5.123 3.895 383 HB VAL 51 HB VAL 51 12.432 3.165 5.129 384 1HG1 VAL 51 1HG1 VAL 51 11.654 6.027 5.724 385 2HG1 VAL 51 3HG1 VAL 51 12.470 5.005 6.906 386 3HG1 VAL 51 2HG1 VAL 51 13.263 5.392 5.379 387 1HG2 VAL 51 3HG2 VAL 51 9.766 3.014 5.471 388 2HG2 VAL 51 2HG2 VAL 51 10.898 2.713 6.788 389 3HG2 VAL 51 1HG2 VAL 51 10.117 4.287 6.639 390 H SER 52 HN SER 52 12.580 2.807 2.310 391 HA SER 52 HA SER 52 14.801 4.583 1.861 392 1HB SER 52 2HB SER 52 15.482 2.944 0.153 393 2HB SER 52 1HB SER 52 14.979 2.126 1.630 394 HG SER 52 HG SER 52 14.000 1.876 -0.832 395 H LEU 53 HN LEU 53 11.778 3.985 0.149 396 HA LEU 53 HA LEU 53 12.520 5.480 -2.228 397 1HB LEU 53 2HB LEU 53 9.763 4.786 -1.164 398 2HB LEU 53 1HB LEU 53 10.138 5.325 -2.802 399 HG LEU 53 HG LEU 53 11.517 2.908 -1.660 400 1HD1 LEU 53 2HD1 LEU 53 8.865 2.895 -1.564 401 2HD1 LEU 53 1HD1 LEU 53 9.025 2.609 -3.298 402 3HD1 LEU 53 3HD1 LEU 53 9.748 1.484 -2.149 403 1HD2 LEU 53 1HD2 LEU 53 12.099 4.142 -3.874 404 2HD2 LEU 53 3HD2 LEU 53 11.922 2.389 -3.929 405 3HD2 LEU 53 2HD2 LEU 53 10.611 3.426 -4.492 406 H GLY 54 HN GLY 54 10.286 6.213 0.478 407 1HA GLY 54 2HA GLY 54 9.995 8.296 1.582 408 2HA GLY 54 1HA GLY 54 11.158 9.018 0.468 409 H ILE 55 HN ILE 55 7.919 7.495 0.308 410 HA ILE 55 HA ILE 55 7.175 9.063 -2.030 411 HB ILE 55 HB ILE 55 5.400 7.465 -0.158 412 1HG1 ILE 55 2HG1 ILE 55 6.764 6.608 -2.731 413 2HG1 ILE 55 1HG1 ILE 55 7.308 6.154 -1.117 414 1HG2 ILE 55 3HG2 ILE 55 5.054 8.789 -2.822 415 2HG2 ILE 55 2HG2 ILE 55 4.212 7.266 -2.532 416 3HG2 ILE 55 1HG2 ILE 55 3.913 8.652 -1.484 417 1HD1 ILE 55 1HD1 ILE 55 4.445 5.654 -1.810 418 2HD1 ILE 55 3HD1 ILE 55 5.661 4.589 -2.515 419 3HD1 ILE 55 2HD1 ILE 55 5.524 4.732 -0.762 420 H ALA 56 HN ALA 56 5.359 10.597 -2.034 421 HA ALA 56 HA ALA 56 4.813 11.905 0.579 422 1HB ALA 56 2HB ALA 56 6.772 12.911 -0.981 423 2HB ALA 56 1HB ALA 56 5.383 13.713 -1.714 424 3HB ALA 56 3HB ALA 56 5.723 13.933 0.002 425 H LYS 57 HN LYS 57 3.258 13.951 -0.124 426 HA LYS 57 HA LYS 57 0.854 12.705 -1.128 427 1HB LYS 57 2HB LYS 57 1.152 14.713 0.524 428 2HB LYS 57 1HB LYS 57 1.195 15.668 -0.954 429 1HG LYS 57 2HG LYS 57 -0.984 15.002 -1.594 430 2HG LYS 57 1HG LYS 57 -0.995 13.661 -0.448 431 1HD LYS 57 2HD LYS 57 -1.566 14.997 1.315 432 2HD LYS 57 1HD LYS 57 -0.589 16.347 0.740 433 1HE LYS 57 2HE LYS 57 -2.415 17.330 -0.131 434 2HE LYS 57 1HE LYS 57 -2.745 15.905 -1.116 435 1HZ LYS 57 1HZ LYS 57 -3.417 15.877 1.745 436 2HZ LYS 57 3HZ LYS 57 -4.447 16.673 0.659 437 3HZ LYS 57 2HZ LYS 57 -4.126 15.017 0.464 438 H GLY 58 HN GLY 58 -0.203 13.060 -3.116 439 1HA GLY 58 2HA GLY 58 -0.436 13.747 -5.367 440 2HA GLY 58 1HA GLY 58 0.944 14.823 -5.145 441 H ALA 59 HN ALA 59 0.335 11.293 -5.122 442 HA ALA 59 HA ALA 59 2.500 10.953 -7.115 443 1HB ALA 59 1HB ALA 59 2.531 9.916 -4.297 444 2HB ALA 59 3HB ALA 59 3.270 8.956 -5.577 445 3HB ALA 59 2HB ALA 59 3.854 10.588 -5.250 446 H GLU 60 HN GLU 60 2.629 8.357 -7.474 447 HA GLU 60 HA GLU 60 -0.185 7.338 -7.564 448 1HB GLU 60 2HB GLU 60 1.860 6.875 -9.752 449 2HB GLU 60 1HB GLU 60 0.131 6.534 -9.800 450 1HG GLU 60 2HG GLU 60 1.326 9.311 -9.547 451 2HG GLU 60 1HG GLU 60 0.738 8.608 -11.054 452 H ILE 61 HN ILE 61 -0.381 5.059 -7.330 453 HA ILE 61 HA ILE 61 2.122 3.537 -6.801 454 HB ILE 61 HB ILE 61 0.991 2.533 -4.767 455 1HG1 ILE 61 2HG1 ILE 61 -0.837 4.939 -5.091 456 2HG1 ILE 61 1HG1 ILE 61 -1.318 3.270 -5.397 457 1HG2 ILE 61 3HG2 ILE 61 1.783 5.438 -4.930 458 2HG2 ILE 61 2HG2 ILE 61 1.332 4.708 -3.389 459 3HG2 ILE 61 1HG2 ILE 61 2.708 4.078 -4.295 460 1HD1 ILE 61 1HD1 ILE 61 -0.118 4.065 -2.748 461 2HD1 ILE 61 3HD1 ILE 61 -1.839 4.284 -3.060 462 3HD1 ILE 61 2HD1 ILE 61 -1.130 2.671 -3.126 463 H THR 62 HN THR 62 1.824 1.216 -6.994 464 HA THR 62 HA THR 62 -0.766 0.385 -8.225 465 HB THR 62 HB THR 62 1.801 -0.711 -9.314 466 HG1 THR 62 HG1 THR 62 2.220 1.049 -10.394 467 1HG2 THR 62 3HG2 THR 62 -0.582 -1.510 -9.864 468 2HG2 THR 62 2HG2 THR 62 -0.759 0.011 -10.738 469 3HG2 THR 62 1HG2 THR 62 0.475 -1.149 -11.228 470 H ILE 63 HN ILE 63 -1.529 -1.159 -6.884 471 HA ILE 63 HA ILE 63 0.386 -2.952 -5.481 472 HB ILE 63 HB ILE 63 -2.600 -2.562 -5.082 473 1HG1 ILE 63 2HG1 ILE 63 -0.257 -1.580 -3.419 474 2HG1 ILE 63 1HG1 ILE 63 -1.181 -0.572 -4.532 475 1HG2 ILE 63 2HG2 ILE 63 -0.508 -4.265 -3.748 476 2HG2 ILE 63 1HG2 ILE 63 -1.870 -3.658 -2.806 477 3HG2 ILE 63 3HG2 ILE 63 -2.159 -4.686 -4.209 478 1HD1 ILE 63 1HD1 ILE 63 -2.755 -2.129 -2.547 479 2HD1 ILE 63 3HD1 ILE 63 -1.799 -0.788 -1.914 480 3HD1 ILE 63 2HD1 ILE 63 -3.013 -0.494 -3.157 481 H SER 64 HN SER 64 0.011 -5.274 -5.532 482 HA SER 64 HA SER 64 -1.855 -6.303 -7.573 483 1HB SER 64 2HB SER 64 0.168 -7.696 -8.480 484 2HB SER 64 1HB SER 64 -0.077 -6.053 -9.062 485 HG SER 64 HG SER 64 1.875 -7.103 -7.388 486 H ALA 65 HN ALA 65 -2.909 -7.602 -6.110 487 HA ALA 65 HA ALA 65 -1.364 -9.310 -4.251 488 1HB ALA 65 3HB ALA 65 -3.635 -8.068 -3.781 489 2HB ALA 65 2HB ALA 65 -4.348 -9.453 -4.609 490 3HB ALA 65 1HB ALA 65 -3.392 -9.696 -3.148 491 H SER 66 HN SER 66 -0.735 -11.327 -4.886 492 HA SER 66 HA SER 66 -2.482 -12.856 -6.739 493 1HB SER 66 2HB SER 66 -0.025 -11.616 -7.518 494 2HB SER 66 1HB SER 66 0.220 -13.359 -7.522 495 HG SER 66 HG SER 66 -0.676 -12.993 -9.453 496 H GLY 67 HN GLY 67 -2.953 -14.522 -5.356 497 1HA GLY 67 2HA GLY 67 -1.003 -16.523 -4.776 498 2HA GLY 67 1HA GLY 67 -1.264 -15.559 -3.323 499 H ALA 68 HN ALA 68 -2.675 -16.574 -1.998 500 HA ALA 68 HA ALA 68 -4.749 -18.353 -3.128 501 1HB ALA 68 2HB ALA 68 -3.886 -17.755 -0.284 502 2HB ALA 68 1HB ALA 68 -5.191 -18.867 -0.700 503 3HB ALA 68 3HB ALA 68 -3.539 -19.213 -1.214 504 H ASP 69 HN ASP 69 -4.864 -15.954 -0.477 505 HA ASP 69 HA ASP 69 -7.606 -15.227 -1.369 506 1HB ASP 69 2HB ASP 69 -7.716 -14.063 0.862 507 2HB ASP 69 1HB ASP 69 -7.437 -15.800 0.983 508 H GLU 70 HN GLU 70 -5.714 -14.277 -3.092 509 HA GLU 70 HA GLU 70 -4.553 -11.751 -2.494 510 1HB GLU 70 2HB GLU 70 -4.548 -11.408 -4.963 511 2HB GLU 70 1HB GLU 70 -3.938 -12.997 -4.503 512 1HG GLU 70 2HG GLU 70 -6.556 -13.598 -4.765 513 2HG GLU 70 1HG GLU 70 -6.451 -12.269 -5.919 514 H ASN 71 HN ASN 71 -7.829 -12.620 -3.468 515 HA ASN 71 HA ASN 71 -8.705 -9.942 -4.078 516 1HB ASN 71 2HB ASN 71 -10.047 -12.559 -3.515 517 2HB ASN 71 1HB ASN 71 -11.017 -11.086 -3.465 518 1HD2 ASN 71 2HD2 ASN 71 -11.390 -11.521 -6.964 519 2HD2 ASN 71 1HD2 ASN 71 -12.164 -11.550 -5.454 520 H ASP 72 HN ASP 72 -8.539 -11.843 -1.117 521 HA ASP 72 HA ASP 72 -10.091 -9.944 0.455 522 1HB ASP 72 2HB ASP 72 -8.232 -12.177 1.320 523 2HB ASP 72 1HB ASP 72 -9.326 -11.292 2.384 524 H ALA 73 HN ALA 73 -6.746 -10.256 -0.482 525 HA ALA 73 HA ALA 73 -5.740 -8.548 1.665 526 1HB ALA 73 3HB ALA 73 -4.508 -9.647 -0.867 527 2HB ALA 73 2HB ALA 73 -3.640 -8.566 0.223 528 3HB ALA 73 1HB ALA 73 -4.189 -10.141 0.797 529 H LEU 74 HN LEU 74 -6.610 -8.124 -1.766 530 HA LEU 74 HA LEU 74 -5.605 -5.434 -1.927 531 1HB LEU 74 2HB LEU 74 -6.799 -5.261 -4.028 532 2HB LEU 74 1HB LEU 74 -6.079 -6.862 -3.921 533 HG LEU 74 HG LEU 74 -8.421 -7.516 -2.897 534 1HD1 LEU 74 1HD1 LEU 74 -8.864 -4.801 -3.493 535 2HD1 LEU 74 3HD1 LEU 74 -9.690 -5.684 -4.778 536 3HD1 LEU 74 2HD1 LEU 74 -10.090 -6.000 -3.090 537 1HD2 LEU 74 3HD2 LEU 74 -7.320 -8.234 -5.093 538 2HD2 LEU 74 2HD2 LEU 74 -9.083 -8.273 -5.064 539 3HD2 LEU 74 1HD2 LEU 74 -8.245 -6.944 -5.860 540 H ASN 75 HN ASN 75 -8.842 -6.735 -1.162 541 HA ASN 75 HA ASN 75 -9.948 -4.048 -0.865 542 1HB ASN 75 2HB ASN 75 -11.952 -5.227 0.035 543 2HB ASN 75 1HB ASN 75 -11.444 -5.844 -1.535 544 1HD2 ASN 75 2HD2 ASN 75 -11.806 -9.000 0.106 545 2HD2 ASN 75 1HD2 ASN 75 -12.581 -7.894 -0.920 546 H ALA 76 HN ALA 76 -8.169 -6.211 1.167 547 HA ALA 76 HA ALA 76 -9.152 -5.273 3.713 548 1HB ALA 76 2HB ALA 76 -6.477 -6.494 2.960 549 2HB ALA 76 1HB ALA 76 -7.060 -6.270 4.609 550 3HB ALA 76 3HB ALA 76 -7.898 -7.375 3.521 551 H LEU 77 HN LEU 77 -6.078 -4.552 1.991 552 HA LEU 77 HA LEU 77 -5.482 -2.293 3.691 553 1HB LEU 77 2HB LEU 77 -4.388 -2.823 0.921 554 2HB LEU 77 1HB LEU 77 -3.635 -1.879 2.206 555 HG LEU 77 HG LEU 77 -4.225 -4.481 3.263 556 1HD1 LEU 77 1HD1 LEU 77 -3.987 -4.756 0.562 557 2HD1 LEU 77 3HD1 LEU 77 -2.300 -4.907 1.057 558 3HD1 LEU 77 2HD1 LEU 77 -3.515 -5.998 1.723 559 1HD2 LEU 77 3HD2 LEU 77 -1.614 -3.147 2.480 560 2HD2 LEU 77 2HD2 LEU 77 -2.431 -2.992 4.035 561 3HD2 LEU 77 1HD2 LEU 77 -1.762 -4.547 3.541 562 H GLU 78 HN GLU 78 -7.359 -2.698 0.762 563 HA GLU 78 HA GLU 78 -7.295 0.014 -0.160 564 1HB GLU 78 2HB GLU 78 -8.152 -1.861 -1.526 565 2HB GLU 78 1HB GLU 78 -9.516 -2.039 -0.425 566 1HG GLU 78 2HG GLU 78 -10.630 -0.292 -1.347 567 2HG GLU 78 1HG GLU 78 -9.182 0.713 -1.398 568 H GLU 79 HN GLU 79 -9.881 -1.631 1.725 569 HA GLU 79 HA GLU 79 -11.329 0.747 2.323 570 1HB GLU 79 2HB GLU 79 -12.355 -0.576 4.162 571 2HB GLU 79 1HB GLU 79 -12.308 -1.477 2.647 572 1HG GLU 79 2HG GLU 79 -9.985 -2.323 3.581 573 2HG GLU 79 1HG GLU 79 -10.684 -1.873 5.135 574 H THR 80 HN THR 80 -8.470 -0.648 3.802 575 HA THR 80 HA THR 80 -8.553 0.858 6.259 576 HB THR 80 HB THR 80 -6.110 -0.159 4.775 577 HG1 THR 80 HG1 THR 80 -7.723 -1.427 6.732 578 1HG2 THR 80 2HG2 THR 80 -6.661 0.668 7.627 579 2HG2 THR 80 1HG2 THR 80 -5.279 -0.338 7.190 580 3HG2 THR 80 3HG2 THR 80 -5.426 1.292 6.533 581 H MET 81 HN MET 81 -7.293 1.489 3.031 582 HA MET 81 HA MET 81 -5.936 3.954 3.700 583 1HB MET 81 2HB MET 81 -6.764 2.551 1.186 584 2HB MET 81 1HB MET 81 -6.337 4.257 1.084 585 1HG MET 81 2HG MET 81 -4.454 2.650 2.690 586 2HG MET 81 1HG MET 81 -4.533 2.171 0.996 587 1HE MET 81 2HE MET 81 -2.770 2.694 -0.150 588 2HE MET 81 1HE MET 81 -1.791 4.158 -0.181 589 3HE MET 81 3HE MET 81 -1.716 3.068 1.211 590 H LYS 82 HN LYS 82 -9.221 3.080 2.849 591 HA LYS 82 HA LYS 82 -10.047 5.845 2.341 592 1HB LYS 82 2HB LYS 82 -11.651 3.292 2.687 593 2HB LYS 82 1HB LYS 82 -12.321 4.847 2.186 594 1HG LYS 82 2HG LYS 82 -10.034 3.543 0.703 595 2HG LYS 82 1HG LYS 82 -11.717 3.195 0.310 596 1HD LYS 82 2HD LYS 82 -10.668 6.025 0.456 597 2HD LYS 82 1HD LYS 82 -10.593 5.077 -1.030 598 1HE LYS 82 2HE LYS 82 -12.889 5.060 -1.302 599 2HE LYS 82 1HE LYS 82 -13.201 5.202 0.428 600 1HZ LYS 82 3HZ LYS 82 -12.275 7.501 0.261 601 2HZ LYS 82 2HZ LYS 82 -12.297 7.328 -1.429 602 3HZ LYS 82 1HZ LYS 82 -13.748 7.267 -0.546 603 H SER 83 HN SER 83 -9.804 3.733 5.099 604 HA SER 83 HA SER 83 -11.783 5.103 6.726 605 1HB SER 83 2HB SER 83 -10.685 3.851 8.603 606 2HB SER 83 1HB SER 83 -11.186 2.814 7.271 607 HG SER 83 HG SER 83 -8.685 3.394 8.224 608 H GLU 84 HN GLU 84 -8.199 5.081 6.747 609 HA GLU 84 HA GLU 84 -8.115 7.380 8.554 610 1HB GLU 84 2HB GLU 84 -5.946 5.942 6.996 611 2HB GLU 84 1HB GLU 84 -5.645 7.243 8.150 612 1HG GLU 84 2HG GLU 84 -7.235 4.806 8.940 613 2HG GLU 84 1HG GLU 84 -5.472 4.809 9.017 614 H GLY 85 HN GLY 85 -7.936 6.822 5.095 615 1HA GLY 85 2HA GLY 85 -8.349 8.489 3.428 616 2HA GLY 85 1HA GLY 85 -8.086 9.738 4.647 617 H LEU 86 HN LEU 86 -5.937 7.011 3.971 618 HA LEU 86 HA LEU 86 -3.674 8.847 3.667 619 1HB LEU 86 2HB LEU 86 -3.893 5.833 3.493 620 2HB LEU 86 1HB LEU 86 -2.374 6.724 3.378 621 HG LEU 86 HG LEU 86 -4.272 6.996 5.719 622 1HD1 LEU 86 1HD1 LEU 86 -3.238 4.652 5.280 623 2HD1 LEU 86 3HD1 LEU 86 -1.714 5.408 5.741 624 3HD1 LEU 86 2HD1 LEU 86 -3.054 5.357 6.887 625 1HD2 LEU 86 2HD2 LEU 86 -1.364 7.738 5.262 626 2HD2 LEU 86 1HD2 LEU 86 -2.717 8.859 5.419 627 3HD2 LEU 86 3HD2 LEU 86 -2.206 7.894 6.804 628 H GLY 87 HN GLY 87 -5.592 6.697 1.604 629 1HA GLY 87 2HA GLY 87 -4.826 8.214 -0.769 630 2HA GLY 87 1HA GLY 87 -4.155 6.583 -0.746 631 H GLU 88 HN GLU 88 -6.004 7.366 -2.713 632 HA GLU 88 HA GLU 88 -8.270 5.552 -2.045 633 1HB GLU 88 2HB GLU 88 -9.817 7.124 -3.248 634 2HB GLU 88 1HB GLU 88 -9.182 7.783 -1.741 635 1HG GLU 88 2HG GLU 88 -7.327 8.835 -3.182 636 2HG GLU 88 1HG GLU 88 -8.351 8.450 -4.566 No H/Q in entry = 636 Start of MODEL 19 1 1H ALA 2 3HT ALA 2 -5.421 -9.534 -10.131 2 2H ALA 2 2HT ALA 2 -4.890 -10.707 -9.022 3 3H ALA 2 1HT ALA 2 -6.382 -10.893 -9.811 4 HA ALA 2 HA ALA 2 -7.340 -9.077 -8.646 5 1HB ALA 2 1HB ALA 2 -6.854 -11.412 -7.500 6 2HB ALA 2 3HB ALA 2 -5.773 -10.451 -6.489 7 3HB ALA 2 2HB ALA 2 -7.494 -10.072 -6.549 8 H GLN 3 HN GLN 3 -6.056 -7.185 -9.374 9 HA GLN 3 HA GLN 3 -4.202 -6.246 -7.221 10 1HB GLN 3 2HB GLN 3 -3.050 -4.914 -9.028 11 2HB GLN 3 1HB GLN 3 -2.863 -6.659 -9.192 12 1HG GLN 3 2HG GLN 3 -4.169 -6.762 -11.076 13 2HG GLN 3 1HG GLN 3 -5.219 -5.449 -10.545 14 1HE2 GLN 3 2HE2 GLN 3 -1.596 -4.166 -11.998 15 2HE2 GLN 3 1HE2 GLN 3 -1.639 -5.412 -10.846 16 H LYS 4 HN LYS 4 -4.265 -3.925 -6.840 17 HA LYS 4 HA LYS 4 -6.594 -2.498 -8.028 18 1HB LYS 4 2HB LYS 4 -7.094 -3.627 -5.734 19 2HB LYS 4 1HB LYS 4 -6.077 -2.352 -5.064 20 1HG LYS 4 2HG LYS 4 -7.550 -0.660 -5.680 21 2HG LYS 4 1HG LYS 4 -8.256 -1.612 -6.986 22 1HD LYS 4 2HD LYS 4 -9.018 -3.182 -4.992 23 2HD LYS 4 1HD LYS 4 -8.838 -1.703 -4.049 24 1HE LYS 4 2HE LYS 4 -10.260 -0.560 -5.849 25 2HE LYS 4 1HE LYS 4 -10.641 -2.183 -6.427 26 1HZ LYS 4 1HZ LYS 4 -10.967 -1.500 -3.580 27 2HZ LYS 4 3HZ LYS 4 -12.172 -1.085 -4.698 28 3HZ LYS 4 2HZ LYS 4 -11.738 -2.714 -4.485 29 H THR 5 HN THR 5 -6.243 -0.294 -8.270 30 HA THR 5 HA THR 5 -3.500 0.655 -7.616 31 HB THR 5 HB THR 5 -5.554 2.049 -9.346 32 HG1 THR 5 HG1 THR 5 -3.557 0.180 -10.097 33 1HG2 THR 5 3HG2 THR 5 -2.532 2.165 -9.143 34 2HG2 THR 5 2HG2 THR 5 -3.486 3.014 -10.360 35 3HG2 THR 5 1HG2 THR 5 -3.667 3.423 -8.654 36 H PHE 6 HN PHE 6 -3.273 2.858 -6.731 37 HA PHE 6 HA PHE 6 -5.670 3.939 -5.356 38 1HB PHE 6 2HB PHE 6 -3.082 3.174 -3.971 39 2HB PHE 6 1HB PHE 6 -4.372 4.117 -3.230 40 HD1 PHE 6 1HD PHE 6 -3.500 0.809 -4.669 41 HD2 PHE 6 2HD PHE 6 -6.393 3.084 -2.455 42 HE1 PHE 6 1HE PHE 6 -4.689 -1.284 -4.074 43 HE2 PHE 6 2HE PHE 6 -7.582 0.990 -1.862 44 HZ PHE 6 HZ PHE 6 -6.732 -1.192 -2.669 45 H LYS 7 HN LYS 7 -5.242 6.148 -4.504 46 HA LYS 7 HA LYS 7 -3.013 7.500 -5.981 47 1HB LYS 7 2HB LYS 7 -5.910 8.087 -5.828 48 2HB LYS 7 1HB LYS 7 -4.860 9.487 -5.614 49 1HG LYS 7 2HG LYS 7 -4.261 7.582 -7.846 50 2HG LYS 7 1HG LYS 7 -5.601 8.712 -8.041 51 1HD LYS 7 2HD LYS 7 -3.501 10.255 -6.972 52 2HD LYS 7 1HD LYS 7 -2.738 9.218 -8.177 53 1HE LYS 7 2HE LYS 7 -5.238 10.840 -8.720 54 2HE LYS 7 1HE LYS 7 -3.610 11.414 -9.082 55 1HZ LYS 7 3HZ LYS 7 -3.398 9.178 -10.309 56 2HZ LYS 7 2HZ LYS 7 -5.097 9.174 -10.284 57 3HZ LYS 7 1HZ LYS 7 -4.258 10.437 -11.050 58 H VAL 8 HN VAL 8 -1.564 8.306 -4.564 59 HA VAL 8 HA VAL 8 -2.210 8.615 -1.734 60 HB VAL 8 HB VAL 8 0.302 9.534 -3.156 61 1HG1 VAL 8 2HG1 VAL 8 -0.428 10.025 -0.623 62 2HG1 VAL 8 1HG1 VAL 8 0.221 8.401 -0.396 63 3HG1 VAL 8 3HG1 VAL 8 1.245 9.675 -1.056 64 1HG2 VAL 8 3HG2 VAL 8 -0.561 6.798 -2.202 65 2HG2 VAL 8 2HG2 VAL 8 0.130 7.244 -3.763 66 3HG2 VAL 8 1HG2 VAL 8 1.143 7.235 -2.320 67 H THR 9 HN THR 9 -3.254 10.379 -0.994 68 HA THR 9 HA THR 9 -2.753 12.997 -2.356 69 HB THR 9 HB THR 9 -5.218 12.297 -0.752 70 HG1 THR 9 HG1 THR 9 -5.398 10.919 -2.389 71 1HG2 THR 9 2HG2 THR 9 -4.276 14.551 -2.450 72 2HG2 THR 9 1HG2 THR 9 -5.979 14.113 -2.581 73 3HG2 THR 9 3HG2 THR 9 -5.305 14.574 -1.017 74 H ALA 10 HN ALA 10 -2.516 11.253 0.618 75 HA ALA 10 HA ALA 10 -2.778 13.383 2.496 76 1HB ALA 10 3HB ALA 10 -2.463 10.768 2.804 77 2HB ALA 10 2HB ALA 10 -0.760 11.212 2.927 78 3HB ALA 10 1HB ALA 10 -1.933 11.889 4.057 79 H ASP 11 HN ASP 11 -1.135 14.672 3.500 80 HA ASP 11 HA ASP 11 0.878 15.675 1.688 81 1HB ASP 11 2HB ASP 11 1.610 17.022 3.679 82 2HB ASP 11 1HB ASP 11 -0.111 17.172 3.323 83 H SER 12 HN SER 12 1.009 13.645 4.617 84 HA SER 12 HA SER 12 3.865 13.393 4.690 85 1HB SER 12 2HB SER 12 3.157 11.117 5.866 86 2HB SER 12 1HB SER 12 2.910 12.662 6.672 87 HG SER 12 HG SER 12 0.881 12.137 6.679 88 H GLY 13 HN GLY 13 1.345 11.691 2.921 89 1HA GLY 13 2HA GLY 13 1.636 10.447 0.914 90 2HA GLY 13 1HA GLY 13 3.382 10.516 1.155 91 H ILE 14 HN ILE 14 4.134 8.473 1.365 92 HA ILE 14 HA ILE 14 2.715 6.647 3.254 93 HB ILE 14 HB ILE 14 4.019 5.768 0.663 94 1HG1 ILE 14 2HG1 ILE 14 1.069 6.082 1.306 95 2HG1 ILE 14 1HG1 ILE 14 1.989 7.170 0.269 96 1HG2 ILE 14 1HG2 ILE 14 3.614 4.285 2.858 97 2HG2 ILE 14 3HG2 ILE 14 1.995 4.173 2.169 98 3HG2 ILE 14 2HG2 ILE 14 3.389 3.627 1.238 99 1HD1 ILE 14 1HD1 ILE 14 2.205 4.291 -0.402 100 2HD1 ILE 14 3HD1 ILE 14 0.621 5.017 -0.670 101 3HD1 ILE 14 2HD1 ILE 14 2.045 5.686 -1.466 102 1HN HIP 15 HN HIP 15 4.312 7.213 4.841 103 HA HIP 15 HA HIP 15 7.083 6.377 4.187 104 1HB HIP 15 1HB HIP 15 6.740 8.706 5.049 105 2HB HIP 15 2HB HIP 15 7.842 7.748 6.015 106 HD2 HIP 15 2HD HIP 15 3.905 8.263 6.335 107 HE2 HIP 15 2HE HIP 15 3.490 8.721 8.855 108 HE1 HIP 15 1HE HIP 15 5.678 8.720 10.122 109 H ALA 16 HN ALA 16 7.435 6.139 7.309 110 HA ALA 16 HA ALA 16 7.091 3.274 7.327 111 1HB ALA 16 3HB ALA 16 8.191 5.324 9.174 112 2HB ALA 16 2HB ALA 16 7.683 3.794 9.893 113 3HB ALA 16 1HB ALA 16 8.899 3.808 8.616 114 H ARG 17 HN ARG 17 5.359 5.924 9.016 115 HA ARG 17 HA ARG 17 3.791 4.346 10.737 116 1HB ARG 17 2HB ARG 17 3.880 7.022 10.111 117 2HB ARG 17 1HB ARG 17 2.283 6.561 9.524 118 1HG ARG 17 2HG ARG 17 1.634 5.732 11.670 119 2HG ARG 17 1HG ARG 17 3.289 5.821 12.277 120 1HD ARG 17 2HD ARG 17 3.229 8.129 12.506 121 2HD ARG 17 1HD ARG 17 2.004 8.324 11.252 122 HE ARG 17 HE ARG 17 0.507 7.101 13.081 123 1HH1 ARG 17 HH11 ARG 17 1.214 7.184 15.544 124 2HH1 ARG 17 HH12 ARG 17 1.330 8.818 16.107 125 1HH2 ARG 17 HH21 ARG 17 1.427 10.190 12.925 126 2HH2 ARG 17 HH22 ARG 17 1.451 10.520 14.625 127 HA PRO 18 HA PRO 18 0.468 3.755 7.371 128 1HB PRO 18 2HB PRO 18 1.095 4.400 4.770 129 2HB PRO 18 1HB PRO 18 0.296 5.511 5.896 130 1HG PRO 18 2HG PRO 18 3.128 5.503 4.957 131 2HG PRO 18 1HG PRO 18 2.128 6.862 5.496 132 1HD PRO 18 2HD PRO 18 4.107 5.587 7.031 133 2HD PRO 18 1HD PRO 18 2.843 6.654 7.666 134 H ALA 19 HN ALA 19 3.845 3.223 6.587 135 HA ALA 19 HA ALA 19 3.428 0.904 4.900 136 1HB ALA 19 2HB ALA 19 5.524 2.234 4.857 137 2HB ALA 19 1HB ALA 19 5.874 1.712 6.505 138 3HB ALA 19 3HB ALA 19 5.836 0.532 5.194 139 H THR 20 HN THR 20 3.407 1.448 8.337 140 HA THR 20 HA THR 20 3.897 -1.373 9.003 141 HB THR 20 HB THR 20 2.755 0.571 10.969 142 HG1 THR 20 HG1 THR 20 4.811 1.471 11.231 143 1HG2 THR 20 3HG2 THR 20 3.647 -1.956 11.200 144 2HG2 THR 20 2HG2 THR 20 5.167 -1.098 11.454 145 3HG2 THR 20 1HG2 THR 20 3.787 -0.780 12.506 146 H VAL 21 HN VAL 21 1.204 0.872 8.677 147 HA VAL 21 HA VAL 21 -0.819 -0.871 9.789 148 HB VAL 21 HB VAL 21 -1.210 1.277 7.712 149 1HG1 VAL 21 2HG1 VAL 21 -3.084 -0.357 8.428 150 2HG1 VAL 21 1HG1 VAL 21 -3.056 0.502 9.969 151 3HG1 VAL 21 3HG1 VAL 21 -3.445 1.369 8.483 152 1HG2 VAL 21 2HG2 VAL 21 -0.552 1.443 10.621 153 2HG2 VAL 21 1HG2 VAL 21 -0.137 2.553 9.316 154 3HG2 VAL 21 3HG2 VAL 21 -1.762 2.565 10.002 155 H LEU 22 HN LEU 22 0.552 -0.347 6.615 156 HA LEU 22 HA LEU 22 -1.351 -2.014 5.200 157 1HB LEU 22 2HB LEU 22 1.377 -0.926 4.473 158 2HB LEU 22 1HB LEU 22 0.307 -1.762 3.343 159 HG LEU 22 HG LEU 22 -0.475 0.719 4.901 160 1HD1 LEU 22 3HD1 LEU 22 0.897 0.304 2.277 161 2HD1 LEU 22 2HD1 LEU 22 -0.361 1.543 2.339 162 3HD1 LEU 22 1HD1 LEU 22 1.032 1.646 3.417 163 1HD2 LEU 22 1HD2 LEU 22 -1.790 -1.091 2.908 164 2HD2 LEU 22 3HD2 LEU 22 -2.488 -0.261 4.299 165 3HD2 LEU 22 2HD2 LEU 22 -2.150 0.634 2.818 166 H VAL 23 HN VAL 23 2.092 -2.454 6.126 167 HA VAL 23 HA VAL 23 2.412 -5.085 5.162 168 HB VAL 23 HB VAL 23 4.279 -3.715 6.021 169 1HG1 VAL 23 3HG1 VAL 23 2.976 -2.783 7.958 170 2HG1 VAL 23 2HG1 VAL 23 3.182 -4.331 8.776 171 3HG1 VAL 23 1HG1 VAL 23 4.591 -3.345 8.387 172 1HG2 VAL 23 2HG2 VAL 23 4.130 -6.379 6.124 173 2HG2 VAL 23 1HG2 VAL 23 5.526 -5.517 6.770 174 3HG2 VAL 23 3HG2 VAL 23 4.256 -6.079 7.857 175 H GLN 24 HN GLN 24 0.711 -3.950 8.003 176 HA GLN 24 HA GLN 24 0.551 -6.530 9.323 177 1HB GLN 24 2HB GLN 24 -0.982 -3.940 9.617 178 2HB GLN 24 1HB GLN 24 -1.361 -5.371 10.574 179 1HG GLN 24 2HG GLN 24 1.484 -4.941 10.643 180 2HG GLN 24 1HG GLN 24 0.672 -3.434 11.061 181 1HE2 GLN 24 2HE2 GLN 24 -0.120 -4.570 14.285 182 2HE2 GLN 24 1HE2 GLN 24 0.142 -3.262 13.236 183 H THR 25 HN THR 25 -1.676 -4.645 7.260 184 HA THR 25 HA THR 25 -3.843 -6.500 7.309 185 HB THR 25 HB THR 25 -3.071 -4.739 4.969 186 HG1 THR 25 HG1 THR 25 -3.605 -3.092 6.141 187 1HG2 THR 25 3HG2 THR 25 -5.603 -6.042 5.948 188 2HG2 THR 25 2HG2 THR 25 -5.662 -4.611 4.918 189 3HG2 THR 25 1HG2 THR 25 -4.892 -6.087 4.335 190 H ALA 26 HN ALA 26 -1.409 -6.061 4.714 191 HA ALA 26 HA ALA 26 -2.116 -8.411 3.273 192 1HB ALA 26 2HB ALA 26 0.517 -6.915 3.424 193 2HB ALA 26 1HB ALA 26 0.155 -8.173 2.241 194 3HB ALA 26 3HB ALA 26 -0.768 -6.670 2.240 195 H SER 27 HN SER 27 -0.119 -7.954 6.118 196 HA SER 27 HA SER 27 1.421 -10.347 6.014 197 1HB SER 27 2HB SER 27 2.035 -8.794 7.692 198 2HB SER 27 1HB SER 27 0.387 -8.655 8.290 199 HG SER 27 HG SER 27 2.087 -10.928 8.455 200 H LYS 28 HN LYS 28 -1.903 -9.753 6.998 201 HA LYS 28 HA LYS 28 -2.307 -12.417 8.103 202 1HB LYS 28 2HB LYS 28 -4.519 -10.597 7.145 203 2HB LYS 28 1HB LYS 28 -4.566 -11.785 8.444 204 1HG LYS 28 2HG LYS 28 -3.065 -9.147 8.460 205 2HG LYS 28 1HG LYS 28 -4.490 -9.549 9.410 206 1HD LYS 28 2HD LYS 28 -2.974 -11.536 10.272 207 2HD LYS 28 1HD LYS 28 -1.661 -10.478 9.756 208 1HE LYS 28 2HE LYS 28 -2.289 -8.764 11.254 209 2HE LYS 28 1HE LYS 28 -3.903 -9.436 11.483 210 1HZ LYS 28 2HZ LYS 28 -1.588 -11.074 12.230 211 2HZ LYS 28 1HZ LYS 28 -2.032 -9.793 13.253 212 3HZ LYS 28 3HZ LYS 28 -3.145 -11.024 12.908 213 H TYR 29 HN TYR 29 -2.564 -10.933 4.940 214 HA TYR 29 HA TYR 29 -4.074 -13.223 3.851 215 1HB TYR 29 2HB TYR 29 -2.944 -10.745 2.502 216 2HB TYR 29 1HB TYR 29 -3.944 -11.966 1.710 217 HD1 TYR 29 2HD TYR 29 -6.269 -12.438 2.628 218 HD2 TYR 29 1HD TYR 29 -3.936 -9.037 3.821 219 HE1 TYR 29 2HE TYR 29 -8.314 -11.346 3.506 220 HE2 TYR 29 1HE TYR 29 -5.980 -7.944 4.707 221 HH TYR 29 HH TYR 29 -8.528 -9.247 5.571 222 H ASP 30 HN ASP 30 -3.080 -14.986 3.088 223 HA ASP 30 HA ASP 30 -0.244 -15.316 3.068 224 1HB ASP 30 2HB ASP 30 -2.407 -16.916 1.668 225 2HB ASP 30 1HB ASP 30 -0.733 -17.438 1.854 226 H ALA 31 HN ALA 31 -2.455 -14.091 0.660 227 HA ALA 31 HA ALA 31 -0.945 -14.549 -1.701 228 1HB ALA 31 1HB ALA 31 -2.896 -12.401 -0.880 229 2HB ALA 31 3HB ALA 31 -2.101 -12.351 -2.453 230 3HB ALA 31 2HB ALA 31 -3.129 -13.719 -2.028 231 H ASP 32 HN ASP 32 0.750 -13.428 -2.658 232 HA ASP 32 HA ASP 32 2.299 -11.658 -0.874 233 1HB ASP 32 2HB ASP 32 2.913 -12.860 -3.590 234 2HB ASP 32 1HB ASP 32 4.031 -11.842 -2.681 235 H VAL 33 HN VAL 33 1.299 -9.652 -0.903 236 HA VAL 33 HA VAL 33 0.536 -8.443 -3.486 237 HB VAL 33 HB VAL 33 -0.370 -6.614 -2.093 238 1HG1 VAL 33 3HG1 VAL 33 -1.235 -9.318 -2.109 239 2HG1 VAL 33 2HG1 VAL 33 -1.467 -8.742 -0.459 240 3HG1 VAL 33 1HG1 VAL 33 -2.212 -7.884 -1.808 241 1HG2 VAL 33 2HG2 VAL 33 1.463 -6.816 -0.342 242 2HG2 VAL 33 1HG2 VAL 33 -0.166 -6.627 0.306 243 3HG2 VAL 33 3HG2 VAL 33 0.596 -8.216 0.290 244 H ASN 34 HN ASN 34 1.616 -6.681 -4.414 245 HA ASN 34 HA ASN 34 4.094 -5.749 -3.023 246 1HB ASN 34 2HB ASN 34 3.818 -6.516 -5.944 247 2HB ASN 34 1HB ASN 34 5.244 -5.762 -5.229 248 1HD2 ASN 34 2HD2 ASN 34 5.001 -9.708 -5.069 249 2HD2 ASN 34 1HD2 ASN 34 4.191 -8.722 -6.189 250 H LEU 35 HN LEU 35 4.338 -3.562 -3.037 251 HA LEU 35 HA LEU 35 2.302 -1.937 -4.440 252 1HB LEU 35 2HB LEU 35 2.941 -1.514 -2.037 253 2HB LEU 35 1HB LEU 35 4.537 -1.026 -2.603 254 HG LEU 35 HG LEU 35 2.516 0.342 -4.154 255 1HD1 LEU 35 2HD1 LEU 35 1.450 -0.189 -1.721 256 2HD1 LEU 35 1HD1 LEU 35 2.334 1.292 -1.348 257 3HD1 LEU 35 3HD1 LEU 35 1.114 1.289 -2.622 258 1HD2 LEU 35 2HD2 LEU 35 5.022 0.864 -3.402 259 2HD2 LEU 35 1HD2 LEU 35 3.891 2.165 -3.769 260 3HD2 LEU 35 3HD2 LEU 35 4.200 1.711 -2.093 261 H GLU 36 HN GLU 36 2.867 -0.330 -5.995 262 HA GLU 36 HA GLU 36 5.636 -0.584 -7.110 263 1HB GLU 36 2HB GLU 36 3.800 -1.597 -8.520 264 2HB GLU 36 1HB GLU 36 3.111 0.019 -8.675 265 1HG GLU 36 2HG GLU 36 4.794 0.757 -10.054 266 2HG GLU 36 1HG GLU 36 6.009 -0.271 -9.295 267 H TYR 37 HN TYR 37 6.755 1.310 -7.213 268 HA TYR 37 HA TYR 37 5.406 3.859 -7.687 269 1HB TYR 37 2HB TYR 37 5.114 3.460 -5.209 270 2HB TYR 37 1HB TYR 37 6.872 3.503 -5.061 271 HD1 TYR 37 1HD TYR 37 4.067 5.491 -6.570 272 HD2 TYR 37 2HD TYR 37 7.903 5.552 -4.636 273 HE1 TYR 37 1HE TYR 37 4.005 7.969 -6.527 274 HE2 TYR 37 2HE TYR 37 7.840 8.031 -4.592 275 HH TYR 37 HH TYR 37 6.766 9.862 -5.736 276 H ASN 38 HN ASN 38 6.826 5.313 -8.597 277 HA ASN 38 HA ASN 38 8.813 6.131 -9.526 278 1HB ASN 38 2HB ASN 38 9.404 5.434 -6.843 279 2HB ASN 38 1HB ASN 38 10.744 4.819 -7.808 280 1HD2 ASN 38 2HD2 ASN 38 11.792 8.092 -8.876 281 2HD2 ASN 38 1HD2 ASN 38 11.773 6.461 -9.347 282 H GLY 39 HN GLY 39 7.726 3.663 -10.535 283 1HA GLY 39 2HA GLY 39 8.329 1.928 -11.994 284 2HA GLY 39 1HA GLY 39 9.860 2.778 -12.195 285 H LYS 40 HN LYS 40 8.793 1.692 -9.043 286 HA LYS 40 HA LYS 40 10.864 -0.467 -9.134 287 1HB LYS 40 2HB LYS 40 10.143 1.245 -6.735 288 2HB LYS 40 1HB LYS 40 11.432 0.044 -6.826 289 1HG LYS 40 2HG LYS 40 12.126 1.582 -8.930 290 2HG LYS 40 1HG LYS 40 11.331 2.803 -7.934 291 1HD LYS 40 2HD LYS 40 12.767 2.195 -6.026 292 2HD LYS 40 1HD LYS 40 13.561 0.965 -7.012 293 1HE LYS 40 2HE LYS 40 13.977 2.985 -8.658 294 2HE LYS 40 1HE LYS 40 13.744 3.954 -7.203 295 1HZ LYS 40 1HZ LYS 40 15.583 1.643 -7.236 296 2HZ LYS 40 3HZ LYS 40 16.092 3.179 -7.745 297 3HZ LYS 40 2HZ LYS 40 15.542 2.951 -6.153 298 H THR 41 HN THR 41 10.430 -2.136 -7.329 299 HA THR 41 HA THR 41 7.538 -2.383 -6.694 300 HB THR 41 HB THR 41 9.142 -4.614 -7.975 301 HG1 THR 41 HG1 THR 41 7.149 -2.882 -9.006 302 1HG2 THR 41 2HG2 THR 41 6.469 -4.386 -6.710 303 2HG2 THR 41 1HG2 THR 41 6.525 -5.274 -8.233 304 3HG2 THR 41 3HG2 THR 41 7.524 -5.791 -6.874 305 H VAL 42 HN VAL 42 7.759 -2.329 -4.491 306 HA VAL 42 HA VAL 42 9.743 -4.193 -3.253 307 HB VAL 42 HB VAL 42 9.062 -2.823 -1.118 308 1HG1 VAL 42 3HG1 VAL 42 11.207 -2.779 -2.801 309 2HG1 VAL 42 2HG1 VAL 42 10.698 -1.091 -2.849 310 3HG1 VAL 42 1HG1 VAL 42 11.089 -1.853 -1.305 311 1HG2 VAL 42 1HG2 VAL 42 7.247 -1.570 -2.356 312 2HG2 VAL 42 3HG2 VAL 42 8.406 -0.535 -1.521 313 3HG2 VAL 42 2HG2 VAL 42 8.518 -0.755 -3.268 314 H ASN 43 HN ASN 43 9.025 -5.652 -1.678 315 HA ASN 43 HA ASN 43 6.287 -6.566 -1.922 316 1HB ASN 43 2HB ASN 43 8.367 -7.960 -1.293 317 2HB ASN 43 1HB ASN 43 8.194 -7.270 0.323 318 1HD2 ASN 43 2HD2 ASN 43 6.177 -10.499 -0.106 319 2HD2 ASN 43 1HD2 ASN 43 7.769 -10.125 -0.560 320 H LEU 44 HN LEU 44 4.562 -6.197 -0.443 321 HA LEU 44 HA LEU 44 4.658 -3.745 1.028 322 1HB LEU 44 2HB LEU 44 2.566 -4.882 0.148 323 2HB LEU 44 1HB LEU 44 2.671 -5.950 1.553 324 HG LEU 44 HG LEU 44 2.969 -3.655 2.849 325 1HD1 LEU 44 2HD1 LEU 44 1.539 -2.882 0.311 326 2HD1 LEU 44 1HD1 LEU 44 1.512 -1.913 1.787 327 3HD1 LEU 44 3HD1 LEU 44 3.040 -2.208 0.955 328 1HD2 LEU 44 1HD2 LEU 44 0.615 -5.214 2.016 329 2HD2 LEU 44 3HD2 LEU 44 1.161 -4.748 3.626 330 3HD2 LEU 44 2HD2 LEU 44 0.265 -3.599 2.630 331 H LYS 45 HN LYS 45 5.838 -6.854 1.863 332 HA LYS 45 HA LYS 45 5.596 -6.374 4.762 333 1HB LYS 45 2HB LYS 45 6.947 -8.576 3.162 334 2HB LYS 45 1HB LYS 45 6.886 -8.523 4.925 335 1HG LYS 45 2HG LYS 45 4.652 -9.047 5.002 336 2HG LYS 45 1HG LYS 45 4.296 -8.209 3.492 337 1HD LYS 45 2HD LYS 45 5.787 -10.139 2.452 338 2HD LYS 45 1HD LYS 45 5.309 -10.994 3.920 339 1HE LYS 45 2HE LYS 45 2.932 -10.550 3.401 340 2HE LYS 45 1HE LYS 45 3.415 -9.716 1.924 341 1HZ LYS 45 2HZ LYS 45 4.579 -11.837 1.302 342 2HZ LYS 45 1HZ LYS 45 3.758 -12.581 2.591 343 3HZ LYS 45 3HZ LYS 45 2.881 -11.907 1.305 344 H SER 46 HN SER 46 6.906 -4.257 3.582 345 HA SER 46 HA SER 46 9.620 -4.540 4.723 346 1HB SER 46 2HB SER 46 9.816 -5.162 2.286 347 2HB SER 46 1HB SER 46 9.234 -3.551 1.871 348 HG SER 46 HG SER 46 11.608 -3.927 2.033 349 H ILE 47 HN ILE 47 8.610 -3.071 6.257 350 HA ILE 47 HA ILE 47 7.482 -0.547 5.528 351 HB ILE 47 HB ILE 47 8.931 -1.233 8.099 352 1HG1 ILE 47 2HG1 ILE 47 6.045 -1.667 7.242 353 2HG1 ILE 47 1HG1 ILE 47 7.221 -2.920 7.617 354 1HG2 ILE 47 3HG2 ILE 47 8.055 1.204 7.284 355 2HG2 ILE 47 2HG2 ILE 47 6.567 0.572 7.989 356 3HG2 ILE 47 1HG2 ILE 47 8.027 0.691 8.971 357 1HD1 ILE 47 1HD1 ILE 47 7.392 -1.675 9.929 358 2HD1 ILE 47 3HD1 ILE 47 5.807 -1.045 9.484 359 3HD1 ILE 47 2HD1 ILE 47 6.055 -2.785 9.629 360 H MET 48 HN MET 48 10.808 -1.516 6.341 361 HA MET 48 HA MET 48 11.892 1.156 6.178 362 1HB MET 48 2HB MET 48 12.977 -0.797 7.355 363 2HB MET 48 1HB MET 48 13.358 -1.465 5.766 364 1HG MET 48 2HG MET 48 15.303 -0.273 6.241 365 2HG MET 48 1HG MET 48 14.378 0.917 5.327 366 1HE MET 48 1HE MET 48 16.445 0.148 7.845 367 2HE MET 48 3HE MET 48 16.808 1.873 7.701 368 3HE MET 48 2HE MET 48 16.240 1.214 9.232 369 H GLY 49 HN GLY 49 11.261 -1.397 3.850 370 1HA GLY 49 2HA GLY 49 12.884 -0.312 1.719 371 2HA GLY 49 1HA GLY 49 11.582 -1.486 1.522 372 H VAL 50 HN VAL 50 9.618 0.285 2.876 373 HA VAL 50 HA VAL 50 8.859 1.848 0.514 374 HB VAL 50 HB VAL 50 7.516 1.696 3.231 375 1HG1 VAL 50 1HG1 VAL 50 6.841 2.912 0.588 376 2HG1 VAL 50 3HG1 VAL 50 5.529 2.163 1.498 377 3HG1 VAL 50 2HG1 VAL 50 6.461 3.479 2.214 378 1HG2 VAL 50 3HG2 VAL 50 7.680 -0.211 0.995 379 2HG2 VAL 50 2HG2 VAL 50 7.124 -0.465 2.648 380 3HG2 VAL 50 1HG2 VAL 50 6.022 0.193 1.441 381 H VAL 51 HN VAL 51 10.186 2.445 3.715 382 HA VAL 51 HA VAL 51 9.759 5.303 3.713 383 HB VAL 51 HB VAL 51 11.869 3.700 5.195 384 1HG1 VAL 51 1HG1 VAL 51 10.762 6.494 5.451 385 2HG1 VAL 51 3HG1 VAL 51 11.475 5.670 6.839 386 3HG1 VAL 51 2HG1 VAL 51 12.448 5.977 5.400 387 1HG2 VAL 51 3HG2 VAL 51 9.194 3.279 5.390 388 2HG2 VAL 51 2HG2 VAL 51 10.294 3.122 6.759 389 3HG2 VAL 51 1HG2 VAL 51 9.375 4.610 6.533 390 H SER 52 HN SER 52 12.276 3.181 2.469 391 HA SER 52 HA SER 52 14.283 5.171 2.006 392 1HB SER 52 2HB SER 52 14.893 3.456 0.087 393 2HB SER 52 1HB SER 52 15.116 3.014 1.777 394 HG SER 52 HG SER 52 13.978 1.389 0.724 395 H LEU 53 HN LEU 53 11.512 4.072 0.087 396 HA LEU 53 HA LEU 53 12.142 5.471 -2.325 397 1HB LEU 53 2HB LEU 53 9.415 4.816 -1.165 398 2HB LEU 53 1HB LEU 53 9.740 5.254 -2.841 399 HG LEU 53 HG LEU 53 11.073 2.899 -1.490 400 1HD1 LEU 53 2HD1 LEU 53 8.454 3.082 -2.984 401 2HD1 LEU 53 1HD1 LEU 53 9.370 1.578 -2.901 402 3HD1 LEU 53 3HD1 LEU 53 8.769 2.328 -1.422 403 1HD2 LEU 53 2HD2 LEU 53 10.732 3.848 -4.346 404 2HD2 LEU 53 1HD2 LEU 53 12.239 3.619 -3.459 405 3HD2 LEU 53 3HD2 LEU 53 11.279 2.220 -3.942 406 H GLY 54 HN GLY 54 10.185 6.440 0.502 407 1HA GLY 54 2HA GLY 54 9.771 8.599 1.346 408 2HA GLY 54 1HA GLY 54 10.933 9.226 0.176 409 H ILE 55 HN ILE 55 7.626 7.883 0.331 410 HA ILE 55 HA ILE 55 6.901 9.208 -2.192 411 HB ILE 55 HB ILE 55 5.119 7.761 -0.208 412 1HG1 ILE 55 2HG1 ILE 55 6.475 6.688 -2.700 413 2HG1 ILE 55 1HG1 ILE 55 7.023 6.367 -1.056 414 1HG2 ILE 55 2HG2 ILE 55 4.807 8.776 -3.024 415 2HG2 ILE 55 1HG2 ILE 55 3.868 7.388 -2.476 416 3HG2 ILE 55 3HG2 ILE 55 3.704 8.941 -1.658 417 1HD1 ILE 55 1HD1 ILE 55 4.151 5.844 -1.584 418 2HD1 ILE 55 3HD1 ILE 55 5.291 4.755 -2.374 419 3HD1 ILE 55 2HD1 ILE 55 5.304 4.923 -0.618 420 H ALA 56 HN ALA 56 5.005 10.697 -2.253 421 HA ALA 56 HA ALA 56 4.447 12.159 0.257 422 1HB ALA 56 1HB ALA 56 6.152 13.150 -1.947 423 2HB ALA 56 3HB ALA 56 4.909 14.278 -1.401 424 3HB ALA 56 2HB ALA 56 6.094 13.650 -0.257 425 H LYS 57 HN LYS 57 3.009 14.237 -0.613 426 HA LYS 57 HA LYS 57 0.571 13.080 -1.555 427 1HB LYS 57 2HB LYS 57 -0.220 15.427 -1.748 428 2HB LYS 57 1HB LYS 57 0.599 15.136 -0.214 429 1HG LYS 57 2HG LYS 57 2.663 16.129 -1.101 430 2HG LYS 57 1HG LYS 57 1.887 16.376 -2.665 431 1HD LYS 57 2HD LYS 57 0.930 17.593 -0.057 432 2HD LYS 57 1HD LYS 57 1.899 18.441 -1.262 433 1HE LYS 57 2HE LYS 57 -0.004 18.998 -2.329 434 2HE LYS 57 1HE LYS 57 -0.272 17.290 -2.674 435 1HZ LYS 57 1HZ LYS 57 -1.019 18.499 -0.080 436 2HZ LYS 57 3HZ LYS 57 -2.075 18.508 -1.407 437 3HZ LYS 57 2HZ LYS 57 -1.549 17.032 -0.751 438 H GLY 58 HN GLY 58 -0.474 13.300 -3.596 439 1HA GLY 58 2HA GLY 58 -0.613 13.533 -5.932 440 2HA GLY 58 1HA GLY 58 0.807 14.579 -5.859 441 H ALA 59 HN ALA 59 0.042 11.120 -5.304 442 HA ALA 59 HA ALA 59 2.270 10.412 -7.137 443 1HB ALA 59 1HB ALA 59 2.194 9.951 -4.212 444 2HB ALA 59 3HB ALA 59 2.650 8.549 -5.181 445 3HB ALA 59 2HB ALA 59 3.577 10.043 -5.302 446 H GLU 60 HN GLU 60 2.194 8.036 -7.673 447 HA GLU 60 HA GLU 60 -0.582 6.946 -7.418 448 1HB GLU 60 2HB GLU 60 1.149 7.327 -9.828 449 2HB GLU 60 1HB GLU 60 0.131 5.888 -9.764 450 1HG GLU 60 2HG GLU 60 -1.413 7.324 -10.673 451 2HG GLU 60 1HG GLU 60 -1.677 7.725 -8.975 452 H ILE 61 HN ILE 61 -0.561 4.997 -6.428 453 HA ILE 61 HA ILE 61 1.942 3.363 -6.580 454 HB ILE 61 HB ILE 61 1.195 2.411 -4.364 455 1HG1 ILE 61 2HG1 ILE 61 -0.764 4.734 -4.475 456 2HG1 ILE 61 1HG1 ILE 61 -1.205 3.034 -4.605 457 1HG2 ILE 61 1HG2 ILE 61 2.079 5.197 -4.884 458 2HG2 ILE 61 3HG2 ILE 61 1.519 4.868 -3.245 459 3HG2 ILE 61 2HG2 ILE 61 2.847 3.931 -3.926 460 1HD1 ILE 61 2HD1 ILE 61 0.334 3.097 -2.298 461 2HD1 ILE 61 1HD1 ILE 61 -0.565 4.614 -2.221 462 3HD1 ILE 61 3HD1 ILE 61 -1.429 3.082 -2.353 463 H THR 62 HN THR 62 1.715 1.353 -7.450 464 HA THR 62 HA THR 62 -1.062 0.396 -7.992 465 HB THR 62 HB THR 62 1.308 -0.777 -9.383 466 HG1 THR 62 HG1 THR 62 1.838 1.279 -9.736 467 1HG2 THR 62 2HG2 THR 62 -1.356 -1.167 -9.595 468 2HG2 THR 62 1HG2 THR 62 -1.155 0.134 -10.769 469 3HG2 THR 62 3HG2 THR 62 -0.249 -1.368 -10.953 470 H ILE 63 HN ILE 63 -1.683 -1.173 -6.609 471 HA ILE 63 HA ILE 63 0.385 -2.967 -5.434 472 HB ILE 63 HB ILE 63 -2.507 -2.505 -4.630 473 1HG1 ILE 63 2HG1 ILE 63 0.072 -1.615 -3.300 474 2HG1 ILE 63 1HG1 ILE 63 -0.956 -0.566 -4.277 475 1HG2 ILE 63 3HG2 ILE 63 -0.321 -4.300 -3.616 476 2HG2 ILE 63 2HG2 ILE 63 -1.487 -3.633 -2.474 477 3HG2 ILE 63 1HG2 ILE 63 -2.041 -4.639 -3.813 478 1HD1 ILE 63 2HD1 ILE 63 -2.856 -1.370 -2.659 479 2HD1 ILE 63 1HD1 ILE 63 -1.518 -1.796 -1.592 480 3HD1 ILE 63 3HD1 ILE 63 -1.731 -0.125 -2.115 481 H SER 64 HN SER 64 0.101 -5.254 -5.546 482 HA SER 64 HA SER 64 -2.091 -6.295 -7.243 483 1HB SER 64 2HB SER 64 -0.346 -7.606 -8.572 484 2HB SER 64 1HB SER 64 -0.449 -5.884 -8.927 485 HG SER 64 HG SER 64 1.337 -5.549 -7.609 486 H ALA 65 HN ALA 65 -2.911 -7.782 -5.843 487 HA ALA 65 HA ALA 65 -1.109 -9.343 -4.094 488 1HB ALA 65 1HB ALA 65 -3.371 -8.358 -3.365 489 2HB ALA 65 3HB ALA 65 -4.111 -9.635 -4.331 490 3HB ALA 65 2HB ALA 65 -3.082 -10.051 -2.961 491 H SER 66 HN SER 66 -0.499 -11.422 -4.572 492 HA SER 66 HA SER 66 -2.022 -12.885 -6.681 493 1HB SER 66 2HB SER 66 0.907 -13.294 -6.608 494 2HB SER 66 1HB SER 66 -0.186 -13.267 -7.983 495 HG SER 66 HG SER 66 -0.317 -10.964 -7.641 496 H GLY 67 HN GLY 67 -2.890 -14.539 -5.506 497 1HA GLY 67 2HA GLY 67 -1.338 -16.695 -4.557 498 2HA GLY 67 1HA GLY 67 -1.690 -15.678 -3.161 499 H ALA 68 HN ALA 68 -3.118 -17.127 -2.158 500 HA ALA 68 HA ALA 68 -5.370 -18.283 -3.624 501 1HB ALA 68 3HB ALA 68 -4.233 -19.403 -1.671 502 2HB ALA 68 2HB ALA 68 -4.933 -18.166 -0.627 503 3HB ALA 68 1HB ALA 68 -5.984 -19.277 -1.505 504 H ASP 69 HN ASP 69 -5.271 -16.166 -0.732 505 HA ASP 69 HA ASP 69 -7.924 -15.086 -1.508 506 1HB ASP 69 2HB ASP 69 -7.838 -14.020 0.761 507 2HB ASP 69 1HB ASP 69 -7.698 -15.776 0.816 508 H GLU 70 HN GLU 70 -5.860 -14.300 -3.213 509 HA GLU 70 HA GLU 70 -4.568 -11.855 -2.516 510 1HB GLU 70 2HB GLU 70 -4.357 -11.518 -4.973 511 2HB GLU 70 1HB GLU 70 -3.892 -13.145 -4.481 512 1HG GLU 70 2HG GLU 70 -6.087 -14.008 -5.150 513 2HG GLU 70 1HG GLU 70 -6.618 -12.378 -5.570 514 H ASN 71 HN ASN 71 -7.812 -12.543 -3.709 515 HA ASN 71 HA ASN 71 -8.485 -9.803 -4.349 516 1HB ASN 71 2HB ASN 71 -10.045 -12.338 -3.919 517 2HB ASN 71 1HB ASN 71 -10.893 -10.795 -4.030 518 1HD2 ASN 71 2HD2 ASN 71 -9.281 -12.457 -7.376 519 2HD2 ASN 71 1HD2 ASN 71 -9.074 -13.186 -5.858 520 H ASP 72 HN ASP 72 -8.676 -11.789 -1.444 521 HA ASP 72 HA ASP 72 -10.266 -9.871 0.057 522 1HB ASP 72 2HB ASP 72 -8.541 -12.171 1.023 523 2HB ASP 72 1HB ASP 72 -9.727 -11.298 1.994 524 H ALA 73 HN ALA 73 -6.864 -10.297 -0.605 525 HA ALA 73 HA ALA 73 -5.985 -8.666 1.652 526 1HB ALA 73 3HB ALA 73 -4.606 -10.487 0.534 527 2HB ALA 73 2HB ALA 73 -4.392 -9.373 -0.818 528 3HB ALA 73 1HB ALA 73 -3.777 -8.949 0.780 529 H LEU 74 HN LEU 74 -6.419 -8.150 -1.862 530 HA LEU 74 HA LEU 74 -5.349 -5.498 -1.869 531 1HB LEU 74 2HB LEU 74 -6.392 -5.230 -4.045 532 2HB LEU 74 1HB LEU 74 -5.713 -6.848 -3.927 533 HG LEU 74 HG LEU 74 -8.143 -7.458 -3.078 534 1HD1 LEU 74 2HD1 LEU 74 -8.476 -4.735 -3.668 535 2HD1 LEU 74 1HD1 LEU 74 -9.193 -5.571 -5.045 536 3HD1 LEU 74 3HD1 LEU 74 -9.763 -5.912 -3.412 537 1HD2 LEU 74 3HD2 LEU 74 -7.448 -6.909 -5.980 538 2HD2 LEU 74 2HD2 LEU 74 -7.050 -8.375 -5.082 539 3HD2 LEU 74 1HD2 LEU 74 -8.735 -7.982 -5.428 540 H ASN 75 HN ASN 75 -8.697 -6.663 -1.387 541 HA ASN 75 HA ASN 75 -9.706 -3.938 -1.150 542 1HB ASN 75 2HB ASN 75 -11.820 -4.995 -0.416 543 2HB ASN 75 1HB ASN 75 -11.218 -5.699 -1.912 544 1HD2 ASN 75 2HD2 ASN 75 -11.881 -8.776 -0.240 545 2HD2 ASN 75 1HD2 ASN 75 -12.466 -7.677 -1.393 546 H ALA 76 HN ALA 76 -8.198 -6.193 1.014 547 HA ALA 76 HA ALA 76 -9.264 -5.154 3.483 548 1HB ALA 76 2HB ALA 76 -7.998 -7.335 3.201 549 2HB ALA 76 1HB ALA 76 -6.524 -6.378 3.056 550 3HB ALA 76 3HB ALA 76 -7.459 -6.340 4.552 551 H LEU 77 HN LEU 77 -6.115 -4.592 1.857 552 HA LEU 77 HA LEU 77 -5.350 -2.416 3.556 553 1HB LEU 77 2HB LEU 77 -4.505 -2.870 0.684 554 2HB LEU 77 1HB LEU 77 -3.627 -1.967 1.917 555 HG LEU 77 HG LEU 77 -4.204 -4.601 2.941 556 1HD1 LEU 77 1HD1 LEU 77 -4.148 -4.831 0.264 557 2HD1 LEU 77 3HD1 LEU 77 -2.412 -4.875 0.581 558 3HD1 LEU 77 2HD1 LEU 77 -3.476 -6.063 1.335 559 1HD2 LEU 77 1HD2 LEU 77 -1.625 -3.248 2.090 560 2HD2 LEU 77 3HD2 LEU 77 -2.366 -3.154 3.688 561 3HD2 LEU 77 2HD2 LEU 77 -1.729 -4.690 3.100 562 H GLU 78 HN GLU 78 -7.378 -2.606 0.692 563 HA GLU 78 HA GLU 78 -7.356 0.132 -0.083 564 1HB GLU 78 2HB GLU 78 -8.388 -1.658 -1.439 565 2HB GLU 78 1HB GLU 78 -9.641 -1.862 -0.220 566 1HG GLU 78 2HG GLU 78 -9.390 0.929 -1.047 567 2HG GLU 78 1HG GLU 78 -9.735 -0.128 -2.415 568 H GLU 79 HN GLU 79 -9.689 -1.555 2.070 569 HA GLU 79 HA GLU 79 -11.091 0.806 2.851 570 1HB GLU 79 2HB GLU 79 -11.855 -0.570 4.795 571 2HB GLU 79 1HB GLU 79 -12.029 -1.407 3.253 572 1HG GLU 79 2HG GLU 79 -10.150 -2.784 3.652 573 2HG GLU 79 1HG GLU 79 -9.557 -1.744 4.948 574 H THR 80 HN THR 80 -8.056 -0.575 3.928 575 HA THR 80 HA THR 80 -7.850 0.874 6.413 576 HB THR 80 HB THR 80 -5.440 0.153 4.769 577 HG1 THR 80 HG1 THR 80 -7.075 -1.679 6.187 578 1HG2 THR 80 1HG2 THR 80 -6.213 0.340 7.656 579 2HG2 THR 80 3HG2 THR 80 -4.915 -0.761 7.194 580 3HG2 THR 80 2HG2 THR 80 -4.778 0.961 6.840 581 H MET 81 HN MET 81 -7.070 1.599 3.062 582 HA MET 81 HA MET 81 -5.618 4.044 3.593 583 1HB MET 81 2HB MET 81 -6.769 2.673 1.211 584 2HB MET 81 1HB MET 81 -6.502 4.409 1.073 585 1HG MET 81 2HG MET 81 -4.200 3.208 2.331 586 2HG MET 81 1HG MET 81 -4.574 2.314 0.861 587 1HE MET 81 2HE MET 81 -2.006 3.232 0.546 588 2HE MET 81 1HE MET 81 -1.607 4.918 0.225 589 3HE MET 81 3HE MET 81 -2.090 4.412 1.851 590 H LYS 82 HN LYS 82 -8.999 3.195 3.226 591 HA LYS 82 HA LYS 82 -9.893 5.964 2.929 592 1HB LYS 82 2HB LYS 82 -11.322 3.332 3.359 593 2HB LYS 82 1HB LYS 82 -12.175 4.875 3.293 594 1HG LYS 82 2HG LYS 82 -10.260 4.040 1.115 595 2HG LYS 82 1HG LYS 82 -11.955 3.555 1.085 596 1HD LYS 82 2HD LYS 82 -11.584 6.417 1.652 597 2HD LYS 82 1HD LYS 82 -10.951 5.933 0.079 598 1HE LYS 82 2HE LYS 82 -13.292 6.569 -0.166 599 2HE LYS 82 1HE LYS 82 -13.135 4.831 -0.419 600 1HZ LYS 82 1HZ LYS 82 -13.671 4.612 2.021 601 2HZ LYS 82 3HZ LYS 82 -14.135 6.242 1.983 602 3HZ LYS 82 2HZ LYS 82 -14.948 5.105 1.016 603 H SER 83 HN SER 83 -9.308 3.739 5.566 604 HA SER 83 HA SER 83 -10.940 5.117 7.522 605 1HB SER 83 2HB SER 83 -9.443 3.834 9.157 606 2HB SER 83 1HB SER 83 -10.378 2.860 8.026 607 HG SER 83 HG SER 83 -7.717 3.031 8.330 608 H GLU 84 HN GLU 84 -7.374 4.972 7.130 609 HA GLU 84 HA GLU 84 -6.982 7.255 8.889 610 1HB GLU 84 2HB GLU 84 -5.240 5.506 7.201 611 2HB GLU 84 1HB GLU 84 -4.607 7.079 7.689 612 1HG GLU 84 2HG GLU 84 -4.886 6.568 10.014 613 2HG GLU 84 1HG GLU 84 -5.825 5.121 9.648 614 H GLY 85 HN GLY 85 -6.933 6.737 5.372 615 1HA GLY 85 2HA GLY 85 -7.720 8.461 3.839 616 2HA GLY 85 1HA GLY 85 -7.254 9.679 5.026 617 H LEU 86 HN LEU 86 -5.397 6.907 3.780 618 HA LEU 86 HA LEU 86 -3.072 8.637 3.352 619 1HB LEU 86 2HB LEU 86 -3.534 5.693 2.797 620 2HB LEU 86 1HB LEU 86 -1.987 6.518 2.599 621 HG LEU 86 HG LEU 86 -3.550 6.385 5.196 622 1HD1 LEU 86 2HD1 LEU 86 -1.124 4.860 4.211 623 2HD1 LEU 86 1HD1 LEU 86 -1.663 4.878 5.890 624 3HD1 LEU 86 3HD1 LEU 86 -2.696 4.186 4.640 625 1HD2 LEU 86 3HD2 LEU 86 -0.901 7.582 4.370 626 2HD2 LEU 86 2HD2 LEU 86 -2.216 8.342 5.267 627 3HD2 LEU 86 1HD2 LEU 86 -1.207 7.121 6.044 628 H GLY 87 HN GLY 87 -5.420 6.878 1.356 629 1HA GLY 87 2HA GLY 87 -5.074 8.699 -0.859 630 2HA GLY 87 1HA GLY 87 -4.275 7.160 -1.182 631 H GLU 88 HN GLU 88 -6.663 8.326 -2.489 632 HA GLU 88 HA GLU 88 -8.452 5.982 -2.117 633 1HB GLU 88 2HB GLU 88 -10.434 7.588 -2.347 634 2HB GLU 88 1HB GLU 88 -9.598 7.605 -0.796 635 1HG GLU 88 2HG GLU 88 -8.753 9.712 -1.120 636 2HG GLU 88 1HG GLU 88 -8.567 9.484 -2.858 No H/Q in entry = 636 Start of MODEL 20 1 1H ALA 2 1HT ALA 2 -4.672 -10.129 -10.175 2 2H ALA 2 3HT ALA 2 -6.030 -11.145 -10.174 3 3H ALA 2 2HT ALA 2 -6.141 -9.581 -10.830 4 HA ALA 2 HA ALA 2 -7.125 -9.277 -8.789 5 1HB ALA 2 1HB ALA 2 -6.379 -11.656 -8.105 6 2HB ALA 2 3HB ALA 2 -4.947 -10.871 -7.437 7 3HB ALA 2 2HB ALA 2 -6.548 -10.459 -6.821 8 H GLN 3 HN GLN 3 -6.459 -7.128 -9.090 9 HA GLN 3 HA GLN 3 -4.299 -6.221 -7.341 10 1HB GLN 3 2HB GLN 3 -3.138 -4.966 -9.201 11 2HB GLN 3 1HB GLN 3 -2.943 -6.716 -9.279 12 1HG GLN 3 2HG GLN 3 -4.907 -6.775 -10.868 13 2HG GLN 3 1HG GLN 3 -4.844 -5.012 -10.907 14 1HE2 GLN 3 2HE2 GLN 3 -2.329 -5.031 -13.355 15 2HE2 GLN 3 1HE2 GLN 3 -3.660 -4.246 -12.654 16 H LYS 4 HN LYS 4 -4.365 -3.886 -7.056 17 HA LYS 4 HA LYS 4 -6.684 -2.512 -8.325 18 1HB LYS 4 2HB LYS 4 -6.332 -3.170 -5.446 19 2HB LYS 4 1HB LYS 4 -6.905 -1.542 -5.812 20 1HG LYS 4 2HG LYS 4 -8.476 -2.955 -7.496 21 2HG LYS 4 1HG LYS 4 -8.249 -4.160 -6.229 22 1HD LYS 4 2HD LYS 4 -10.064 -3.044 -5.347 23 2HD LYS 4 1HD LYS 4 -8.771 -2.059 -4.662 24 1HE LYS 4 2HE LYS 4 -9.027 -0.793 -7.009 25 2HE LYS 4 1HE LYS 4 -10.667 -1.426 -6.874 26 1HZ LYS 4 2HZ LYS 4 -10.681 -0.483 -4.570 27 2HZ LYS 4 1HZ LYS 4 -9.236 0.323 -4.959 28 3HZ LYS 4 3HZ LYS 4 -10.656 0.667 -5.821 29 H THR 5 HN THR 5 -6.431 -0.249 -8.464 30 HA THR 5 HA THR 5 -3.646 0.697 -8.016 31 HB THR 5 HB THR 5 -5.851 2.088 -9.555 32 HG1 THR 5 HG1 THR 5 -5.573 0.205 -10.612 33 1HG2 THR 5 2HG2 THR 5 -3.517 3.110 -8.720 34 2HG2 THR 5 1HG2 THR 5 -2.951 2.315 -10.189 35 3HG2 THR 5 3HG2 THR 5 -4.221 3.535 -10.280 36 H PHE 6 HN PHE 6 -3.238 2.591 -6.808 37 HA PHE 6 HA PHE 6 -5.554 3.836 -5.410 38 1HB PHE 6 2HB PHE 6 -3.046 2.756 -4.090 39 2HB PHE 6 1HB PHE 6 -4.236 3.775 -3.280 40 HD1 PHE 6 1HD PHE 6 -3.750 0.511 -4.998 41 HD2 PHE 6 2HD PHE 6 -6.300 2.885 -2.485 42 HE1 PHE 6 1HE PHE 6 -5.145 -1.485 -4.528 43 HE2 PHE 6 2HE PHE 6 -7.692 0.890 -2.017 44 HZ PHE 6 HZ PHE 6 -7.117 -1.296 -3.036 45 H LYS 7 HN LYS 7 -4.933 5.934 -4.398 46 HA LYS 7 HA LYS 7 -2.595 7.184 -5.785 47 1HB LYS 7 2HB LYS 7 -5.242 7.797 -6.253 48 2HB LYS 7 1HB LYS 7 -4.805 8.992 -5.031 49 1HG LYS 7 2HG LYS 7 -4.328 9.916 -7.231 50 2HG LYS 7 1HG LYS 7 -2.800 9.589 -6.413 51 1HD LYS 7 2HD LYS 7 -2.237 7.895 -7.844 52 2HD LYS 7 1HD LYS 7 -3.908 7.359 -8.032 53 1HE LYS 7 2HE LYS 7 -4.174 9.675 -9.284 54 2HE LYS 7 1HE LYS 7 -2.432 9.515 -9.502 55 1HZ LYS 7 2HZ LYS 7 -3.040 7.137 -10.252 56 2HZ LYS 7 1HZ LYS 7 -4.593 7.782 -10.496 57 3HZ LYS 7 3HZ LYS 7 -3.266 8.427 -11.333 58 H VAL 8 HN VAL 8 -1.260 8.418 -4.485 59 HA VAL 8 HA VAL 8 -1.728 8.251 -1.579 60 HB VAL 8 HB VAL 8 0.616 9.527 -3.013 61 1HG1 VAL 8 3HG1 VAL 8 0.191 8.392 -0.235 62 2HG1 VAL 8 2HG1 VAL 8 1.762 8.882 -0.868 63 3HG1 VAL 8 1HG1 VAL 8 0.483 10.079 -0.656 64 1HG2 VAL 8 2HG2 VAL 8 0.075 6.640 -2.273 65 2HG2 VAL 8 1HG2 VAL 8 0.545 7.285 -3.847 66 3HG2 VAL 8 3HG2 VAL 8 1.709 7.257 -2.521 67 H THR 9 HN THR 9 -2.798 9.851 -0.549 68 HA THR 9 HA THR 9 -2.481 12.643 -1.569 69 HB THR 9 HB THR 9 -5.026 11.616 -0.309 70 HG1 THR 9 HG1 THR 9 -4.454 11.836 -3.075 71 1HG2 THR 9 1HG2 THR 9 -4.173 14.156 -0.825 72 2HG2 THR 9 3HG2 THR 9 -4.999 13.771 -2.334 73 3HG2 THR 9 2HG2 THR 9 -5.869 13.673 -0.803 74 H ALA 10 HN ALA 10 -1.576 10.753 0.894 75 HA ALA 10 HA ALA 10 -2.494 12.302 3.176 76 1HB ALA 10 3HB ALA 10 -1.655 9.812 3.065 77 2HB ALA 10 2HB ALA 10 -0.061 10.544 3.245 78 3HB ALA 10 1HB ALA 10 -1.290 10.791 4.486 79 H ASP 11 HN ASP 11 -1.316 13.877 4.309 80 HA ASP 11 HA ASP 11 0.563 15.446 2.778 81 1HB ASP 11 2HB ASP 11 -0.657 15.570 5.490 82 2HB ASP 11 1HB ASP 11 0.875 16.420 5.280 83 H SER 12 HN SER 12 0.875 13.036 5.340 84 HA SER 12 HA SER 12 3.693 13.484 5.819 85 1HB SER 12 2HB SER 12 3.524 11.118 6.817 86 2HB SER 12 1HB SER 12 2.513 12.361 7.548 87 HG SER 12 HG SER 12 1.260 10.551 7.133 88 H GLY 13 HN GLY 13 1.856 11.557 3.529 89 1HA GLY 13 2HA GLY 13 2.771 10.819 1.421 90 2HA GLY 13 1HA GLY 13 4.389 10.920 2.117 91 H ILE 14 HN ILE 14 4.895 8.750 1.500 92 HA ILE 14 HA ILE 14 3.369 6.644 2.981 93 HB ILE 14 HB ILE 14 5.185 6.138 0.619 94 1HG1 ILE 14 2HG1 ILE 14 3.463 7.744 -0.122 95 2HG1 ILE 14 1HG1 ILE 14 3.164 6.155 -0.817 96 1HG2 ILE 14 2HG2 ILE 14 4.429 4.279 2.169 97 2HG2 ILE 14 1HG2 ILE 14 2.783 4.595 1.622 98 3HG2 ILE 14 3HG2 ILE 14 4.007 4.055 0.472 99 1HD1 ILE 14 2HD1 ILE 14 1.753 6.017 1.546 100 2HD1 ILE 14 1HD1 ILE 14 1.539 7.706 1.086 101 3HD1 ILE 14 3HD1 ILE 14 1.053 6.421 -0.021 102 1HN HIP 15 HN HIP 15 5.082 7.849 4.601 103 HA HIP 15 HA HIP 15 7.743 6.633 4.398 104 1HB HIP 15 1HB HIP 15 7.424 8.997 5.184 105 2HB HIP 15 2HB HIP 15 8.373 7.996 6.266 106 HD2 HIP 15 2HD HIP 15 4.447 8.652 6.193 107 HE2 HIP 15 2HE HIP 15 3.809 9.196 8.651 108 HE1 HIP 15 1HE HIP 15 5.867 9.149 10.124 109 H ALA 16 HN ALA 16 7.805 6.426 7.507 110 HA ALA 16 HA ALA 16 7.286 3.591 7.551 111 1HB ALA 16 1HB ALA 16 8.938 5.175 8.951 112 2HB ALA 16 3HB ALA 16 7.623 5.037 10.119 113 3HB ALA 16 2HB ALA 16 8.428 3.586 9.521 114 H ARG 17 HN ARG 17 5.511 6.364 8.972 115 HA ARG 17 HA ARG 17 3.736 4.881 10.592 116 1HB ARG 17 2HB ARG 17 4.005 7.534 9.991 117 2HB ARG 17 1HB ARG 17 2.479 7.155 9.193 118 1HG ARG 17 2HG ARG 17 1.423 6.583 11.182 119 2HG ARG 17 1HG ARG 17 2.938 6.170 11.986 120 1HD ARG 17 2HD ARG 17 3.467 8.401 12.428 121 2HD ARG 17 1HD ARG 17 2.445 9.005 11.123 122 HE ARG 17 HE ARG 17 0.674 9.077 12.668 123 1HH1 ARG 17 HH11 ARG 17 3.285 8.273 14.472 124 2HH1 ARG 17 HH12 ARG 17 2.456 7.274 15.620 125 1HH2 ARG 17 HH21 ARG 17 -0.492 7.170 13.798 126 2HH2 ARG 17 HH22 ARG 17 0.318 6.651 15.238 127 HA PRO 18 HA PRO 18 0.698 4.423 6.930 128 1HB PRO 18 2HB PRO 18 1.651 4.903 4.388 129 2HB PRO 18 1HB PRO 18 0.810 6.111 5.376 130 1HG PRO 18 2HG PRO 18 3.726 5.864 4.777 131 2HG PRO 18 1HG PRO 18 2.769 7.314 5.123 132 1HD PRO 18 2HD PRO 18 4.457 6.036 6.944 133 2HD PRO 18 1HD PRO 18 3.168 7.172 7.376 134 H ALA 19 HN ALA 19 4.084 3.598 6.526 135 HA ALA 19 HA ALA 19 3.655 1.233 4.909 136 1HB ALA 19 1HB ALA 19 5.858 2.528 5.271 137 2HB ALA 19 3HB ALA 19 5.975 1.652 6.796 138 3HB ALA 19 2HB ALA 19 5.950 0.768 5.271 139 H THR 20 HN THR 20 3.464 1.971 8.319 140 HA THR 20 HA THR 20 3.536 -0.806 9.211 141 HB THR 20 HB THR 20 2.323 1.386 10.850 142 HG1 THR 20 HG1 THR 20 4.116 2.475 10.935 143 1HG2 THR 20 2HG2 THR 20 3.869 -1.133 11.242 144 2HG2 THR 20 1HG2 THR 20 4.084 0.148 12.435 145 3HG2 THR 20 3HG2 THR 20 2.478 -0.516 12.135 146 H VAL 21 HN VAL 21 1.107 1.538 8.244 147 HA VAL 21 HA VAL 21 -1.186 0.118 9.282 148 HB VAL 21 HB VAL 21 -1.069 1.977 6.909 149 1HG1 VAL 21 3HG1 VAL 21 -3.163 0.585 7.351 150 2HG1 VAL 21 2HG1 VAL 21 -3.337 1.494 8.852 151 3HG1 VAL 21 1HG1 VAL 21 -3.402 2.332 7.301 152 1HG2 VAL 21 3HG2 VAL 21 -0.100 2.759 9.238 153 2HG2 VAL 21 2HG2 VAL 21 -1.198 3.815 8.353 154 3HG2 VAL 21 1HG2 VAL 21 -1.800 2.841 9.694 155 H LEU 22 HN LEU 22 0.299 0.329 6.080 156 HA LEU 22 HA LEU 22 -1.440 -1.529 4.787 157 1HB LEU 22 2HB LEU 22 1.374 -0.602 4.192 158 2HB LEU 22 1HB LEU 22 0.426 -1.608 3.089 159 HG LEU 22 HG LEU 22 -0.476 1.088 4.156 160 1HD1 LEU 22 2HD1 LEU 22 0.913 0.248 1.602 161 2HD1 LEU 22 1HD1 LEU 22 -0.077 1.707 1.673 162 3HD1 LEU 22 3HD1 LEU 22 1.346 1.557 2.705 163 1HD2 LEU 22 1HD2 LEU 22 -1.587 -0.924 2.188 164 2HD2 LEU 22 3HD2 LEU 22 -2.400 -0.161 3.556 165 3HD2 LEU 22 2HD2 LEU 22 -2.044 0.778 2.106 166 H VAL 23 HN VAL 23 1.917 -1.991 5.974 167 HA VAL 23 HA VAL 23 2.197 -4.714 5.401 168 HB VAL 23 HB VAL 23 4.010 -3.255 6.297 169 1HG1 VAL 23 1HG1 VAL 23 2.647 -2.171 8.074 170 2HG1 VAL 23 3HG1 VAL 23 2.622 -3.694 8.961 171 3HG1 VAL 23 2HG1 VAL 23 4.147 -2.849 8.707 172 1HG2 VAL 23 3HG2 VAL 23 3.831 -5.900 6.497 173 2HG2 VAL 23 2HG2 VAL 23 5.164 -5.029 7.255 174 3HG2 VAL 23 1HG2 VAL 23 3.784 -5.543 8.223 175 H GLN 24 HN GLN 24 0.363 -3.237 8.013 176 HA GLN 24 HA GLN 24 0.011 -5.631 9.580 177 1HB GLN 24 2HB GLN 24 -1.423 -2.988 9.416 178 2HB GLN 24 1HB GLN 24 -2.057 -4.290 10.418 179 1HG GLN 24 2HG GLN 24 0.789 -4.008 10.860 180 2HG GLN 24 1HG GLN 24 -0.011 -2.457 11.093 181 1HE2 GLN 24 2HE2 GLN 24 -0.579 -3.707 14.392 182 2HE2 GLN 24 1HE2 GLN 24 0.393 -2.676 13.456 183 H THR 25 HN THR 25 -2.078 -4.041 7.143 184 HA THR 25 HA THR 25 -4.171 -6.001 7.280 185 HB THR 25 HB THR 25 -3.534 -4.440 4.784 186 HG1 THR 25 HG1 THR 25 -4.721 -3.478 7.172 187 1HG2 THR 25 3HG2 THR 25 -5.645 -6.085 5.559 188 2HG2 THR 25 2HG2 THR 25 -6.258 -4.454 5.836 189 3HG2 THR 25 1HG2 THR 25 -5.671 -4.916 4.240 190 H ALA 26 HN ALA 26 -1.635 -5.580 4.779 191 HA ALA 26 HA ALA 26 -2.213 -8.000 3.396 192 1HB ALA 26 3HB ALA 26 0.322 -6.359 3.603 193 2HB ALA 26 2HB ALA 26 0.152 -7.743 2.523 194 3HB ALA 26 1HB ALA 26 -0.877 -6.327 2.309 195 H SER 27 HN SER 27 -0.619 -7.488 6.432 196 HA SER 27 HA SER 27 1.123 -9.761 6.443 197 1HB SER 27 2HB SER 27 1.453 -8.146 8.159 198 2HB SER 27 1HB SER 27 -0.238 -8.201 8.645 199 HG SER 27 HG SER 27 1.702 -10.264 8.894 200 H LYS 28 HN LYS 28 -2.328 -9.420 7.001 201 HA LYS 28 HA LYS 28 -2.543 -12.208 7.966 202 1HB LYS 28 2HB LYS 28 -4.526 -9.952 7.635 203 2HB LYS 28 1HB LYS 28 -5.031 -11.594 8.038 204 1HG LYS 28 2HG LYS 28 -4.779 -10.529 10.139 205 2HG LYS 28 1HG LYS 28 -3.296 -11.462 9.943 206 1HD LYS 28 2HD LYS 28 -1.994 -9.586 9.579 207 2HD LYS 28 1HD LYS 28 -3.335 -8.659 8.904 208 1HE LYS 28 2HE LYS 28 -4.103 -7.996 10.970 209 2HE LYS 28 1HE LYS 28 -3.550 -9.471 11.764 210 1HZ LYS 28 2HZ LYS 28 -1.220 -8.552 11.213 211 2HZ LYS 28 1HZ LYS 28 -2.016 -7.059 11.058 212 3HZ LYS 28 3HZ LYS 28 -2.072 -7.898 12.530 213 H TYR 29 HN TYR 29 -1.783 -11.433 5.094 214 HA TYR 29 HA TYR 29 -3.856 -13.131 3.784 215 1HB TYR 29 2HB TYR 29 -2.617 -10.573 2.731 216 2HB TYR 29 1HB TYR 29 -3.443 -11.736 1.694 217 HD1 TYR 29 2HD TYR 29 -5.843 -12.433 2.347 218 HD2 TYR 29 1HD TYR 29 -3.858 -8.973 3.934 219 HE1 TYR 29 2HE TYR 29 -8.034 -11.482 3.009 220 HE2 TYR 29 1HE TYR 29 -6.048 -8.022 4.600 221 HH TYR 29 HH TYR 29 -8.439 -9.138 5.175 222 H ASP 30 HN ASP 30 -2.902 -14.933 3.038 223 HA ASP 30 HA ASP 30 -0.052 -15.285 2.935 224 1HB ASP 30 2HB ASP 30 -2.443 -16.890 2.142 225 2HB ASP 30 1HB ASP 30 -0.882 -17.355 1.464 226 H ALA 31 HN ALA 31 -2.359 -14.073 0.624 227 HA ALA 31 HA ALA 31 -1.019 -14.648 -1.810 228 1HB ALA 31 3HB ALA 31 -2.960 -12.577 -0.888 229 2HB ALA 31 2HB ALA 31 -2.106 -12.272 -2.401 230 3HB ALA 31 1HB ALA 31 -3.090 -13.724 -2.222 231 H ASP 32 HN ASP 32 0.542 -13.475 -2.995 232 HA ASP 32 HA ASP 32 2.370 -11.861 -1.332 233 1HB ASP 32 2HB ASP 32 2.542 -13.293 -3.950 234 2HB ASP 32 1HB ASP 32 3.629 -11.929 -3.685 235 H VAL 33 HN VAL 33 1.166 -9.905 -1.143 236 HA VAL 33 HA VAL 33 0.413 -8.481 -3.620 237 HB VAL 33 HB VAL 33 -0.567 -6.810 -2.104 238 1HG1 VAL 33 1HG1 VAL 33 -1.360 -9.515 -2.336 239 2HG1 VAL 33 3HG1 VAL 33 -1.596 -9.093 -0.638 240 3HG1 VAL 33 2HG1 VAL 33 -2.374 -8.141 -1.902 241 1HG2 VAL 33 3HG2 VAL 33 1.189 -8.181 -0.171 242 2HG2 VAL 33 2HG2 VAL 33 0.561 -6.535 -0.147 243 3HG2 VAL 33 1HG2 VAL 33 -0.434 -7.866 0.440 244 H ASN 34 HN ASN 34 1.532 -6.713 -4.428 245 HA ASN 34 HA ASN 34 3.891 -5.760 -2.862 246 1HB ASN 34 2HB ASN 34 3.868 -6.425 -5.822 247 2HB ASN 34 1HB ASN 34 5.232 -5.753 -4.927 248 1HD2 ASN 34 2HD2 ASN 34 4.981 -9.673 -5.048 249 2HD2 ASN 34 1HD2 ASN 34 4.390 -8.591 -6.216 250 H LEU 35 HN LEU 35 4.155 -3.571 -2.889 251 HA LEU 35 HA LEU 35 2.186 -1.966 -4.435 252 1HB LEU 35 2HB LEU 35 2.463 -1.571 -1.977 253 2HB LEU 35 1HB LEU 35 4.135 -1.096 -2.275 254 HG LEU 35 HG LEU 35 2.924 0.502 -4.068 255 1HD1 LEU 35 1HD1 LEU 35 0.836 -0.370 -2.149 256 2HD1 LEU 35 3HD1 LEU 35 0.921 1.366 -2.444 257 3HD1 LEU 35 2HD1 LEU 35 0.670 0.254 -3.790 258 1HD2 LEU 35 1HD2 LEU 35 3.158 1.052 -1.090 259 2HD2 LEU 35 3HD2 LEU 35 4.455 1.221 -2.273 260 3HD2 LEU 35 2HD2 LEU 35 3.050 2.283 -2.348 261 H GLU 36 HN GLU 36 2.846 -0.767 -6.197 262 HA GLU 36 HA GLU 36 5.781 -0.700 -6.754 263 1HB GLU 36 2HB GLU 36 4.291 -1.872 -8.409 264 2HB GLU 36 1HB GLU 36 3.512 -0.320 -8.723 265 1HG GLU 36 2HG GLU 36 5.806 0.615 -9.263 266 2HG GLU 36 1HG GLU 36 6.418 -1.039 -9.185 267 H TYR 37 HN TYR 37 6.726 1.226 -6.445 268 HA TYR 37 HA TYR 37 5.069 3.700 -6.607 269 1HB TYR 37 2HB TYR 37 6.271 3.374 -4.478 270 2HB TYR 37 1HB TYR 37 7.794 3.214 -5.349 271 HD1 TYR 37 1HD TYR 37 4.907 5.605 -5.636 272 HD2 TYR 37 2HD TYR 37 9.125 5.096 -5.006 273 HE1 TYR 37 1HE TYR 37 5.199 8.067 -5.599 274 HE2 TYR 37 2HE TYR 37 9.417 7.559 -4.969 275 HH TYR 37 HH TYR 37 8.294 9.552 -5.737 276 H ASN 38 HN ASN 38 5.115 4.141 -8.811 277 HA ASN 38 HA ASN 38 5.970 5.072 -10.769 278 1HB ASN 38 2HB ASN 38 7.434 6.408 -9.205 279 2HB ASN 38 1HB ASN 38 8.677 5.179 -9.405 280 1HD2 ASN 38 2HD2 ASN 38 7.727 7.553 -12.626 281 2HD2 ASN 38 1HD2 ASN 38 6.575 7.320 -11.402 282 H GLY 39 HN GLY 39 8.976 3.349 -9.841 283 1HA GLY 39 2HA GLY 39 8.294 1.210 -11.775 284 2HA GLY 39 1HA GLY 39 9.761 2.146 -12.066 285 H LYS 40 HN LYS 40 8.716 1.461 -8.797 286 HA LYS 40 HA LYS 40 10.910 -0.563 -8.561 287 1HB LYS 40 2HB LYS 40 10.104 1.439 -6.430 288 2HB LYS 40 1HB LYS 40 11.481 0.337 -6.389 289 1HG LYS 40 2HG LYS 40 11.141 2.463 -8.517 290 2HG LYS 40 1HG LYS 40 12.037 2.737 -7.022 291 1HD LYS 40 2HD LYS 40 12.706 0.296 -8.605 292 2HD LYS 40 1HD LYS 40 13.251 1.851 -9.233 293 1HE LYS 40 2HE LYS 40 14.590 2.286 -7.361 294 2HE LYS 40 1HE LYS 40 13.700 1.155 -6.341 295 1HZ LYS 40 3HZ LYS 40 14.564 -0.648 -7.792 296 2HZ LYS 40 2HZ LYS 40 15.558 0.498 -8.558 297 3HZ LYS 40 1HZ LYS 40 15.764 0.159 -6.906 298 H THR 41 HN THR 41 9.990 -2.501 -8.086 299 HA THR 41 HA THR 41 7.337 -2.566 -6.784 300 HB THR 41 HB THR 41 8.960 -4.951 -7.682 301 HG1 THR 41 HG1 THR 41 7.758 -4.682 -9.653 302 1HG2 THR 41 2HG2 THR 41 6.734 -4.979 -6.260 303 2HG2 THR 41 1HG2 THR 41 5.981 -4.651 -7.821 304 3HG2 THR 41 3HG2 THR 41 6.948 -6.109 -7.599 305 H VAL 42 HN VAL 42 7.510 -2.291 -4.604 306 HA VAL 42 HA VAL 42 9.554 -3.901 -3.135 307 HB VAL 42 HB VAL 42 8.709 -2.387 -1.159 308 1HG1 VAL 42 2HG1 VAL 42 10.899 -2.349 -2.772 309 2HG1 VAL 42 1HG1 VAL 42 10.269 -0.721 -3.033 310 3HG1 VAL 42 3HG1 VAL 42 10.660 -1.265 -1.400 311 1HG2 VAL 42 1HG2 VAL 42 6.882 -1.427 -2.753 312 2HG2 VAL 42 3HG2 VAL 42 7.754 -0.309 -1.704 313 3HG2 VAL 42 2HG2 VAL 42 8.193 -0.446 -3.407 314 H ASN 43 HN ASN 43 8.868 -5.232 -1.408 315 HA ASN 43 HA ASN 43 6.272 -6.444 -1.726 316 1HB ASN 43 2HB ASN 43 8.517 -7.399 -0.720 317 2HB ASN 43 1HB ASN 43 7.885 -6.739 0.790 318 1HD2 ASN 43 2HD2 ASN 43 6.506 -10.262 -0.391 319 2HD2 ASN 43 1HD2 ASN 43 7.977 -9.576 -0.887 320 H LEU 44 HN LEU 44 4.393 -6.126 -0.523 321 HA LEU 44 HA LEU 44 3.916 -3.607 0.700 322 1HB LEU 44 2HB LEU 44 2.227 -5.357 -0.200 323 2HB LEU 44 1HB LEU 44 2.368 -6.118 1.378 324 HG LEU 44 HG LEU 44 0.418 -4.544 1.163 325 1HD1 LEU 44 2HD1 LEU 44 2.060 -4.992 3.295 326 2HD1 LEU 44 1HD1 LEU 44 2.076 -3.231 3.215 327 3HD1 LEU 44 3HD1 LEU 44 0.546 -4.093 3.373 328 1HD2 LEU 44 2HD2 LEU 44 1.720 -2.862 -0.255 329 2HD2 LEU 44 1HD2 LEU 44 0.743 -2.173 1.043 330 3HD2 LEU 44 3HD2 LEU 44 2.488 -2.333 1.241 331 H LYS 45 HN LYS 45 5.196 -6.595 1.990 332 HA LYS 45 HA LYS 45 4.977 -5.653 4.783 333 1HB LYS 45 2HB LYS 45 6.323 -8.141 3.681 334 2HB LYS 45 1HB LYS 45 5.933 -7.820 5.370 335 1HG LYS 45 2HG LYS 45 3.718 -8.311 5.093 336 2HG LYS 45 1HG LYS 45 3.661 -7.622 3.471 337 1HD LYS 45 2HD LYS 45 5.200 -9.687 2.876 338 2HD LYS 45 1HD LYS 45 4.482 -10.374 4.333 339 1HE LYS 45 2HE LYS 45 2.801 -9.146 2.141 340 2HE LYS 45 1HE LYS 45 3.256 -10.850 2.131 341 1HZ LYS 45 1HZ LYS 45 2.299 -10.987 4.410 342 2HZ LYS 45 3HZ LYS 45 1.691 -9.417 4.202 343 3HZ LYS 45 2HZ LYS 45 1.161 -10.673 3.189 344 H SER 46 HN SER 46 6.441 -3.833 3.415 345 HA SER 46 HA SER 46 9.197 -4.296 4.434 346 1HB SER 46 2HB SER 46 8.814 -4.571 1.813 347 2HB SER 46 1HB SER 46 8.855 -2.811 1.847 348 HG SER 46 HG SER 46 10.860 -3.042 3.033 349 H ILE 47 HN ILE 47 8.736 -2.897 6.162 350 HA ILE 47 HA ILE 47 7.493 -0.321 5.857 351 HB ILE 47 HB ILE 47 9.388 -1.213 8.045 352 1HG1 ILE 47 2HG1 ILE 47 7.554 -2.852 7.710 353 2HG1 ILE 47 1HG1 ILE 47 7.372 -1.987 9.232 354 1HG2 ILE 47 3HG2 ILE 47 8.733 1.244 7.848 355 2HG2 ILE 47 2HG2 ILE 47 7.076 0.740 8.186 356 3HG2 ILE 47 1HG2 ILE 47 8.343 0.471 9.384 357 1HD1 ILE 47 1HD1 ILE 47 6.025 -0.507 7.167 358 2HD1 ILE 47 3HD1 ILE 47 5.493 -2.188 7.108 359 3HD1 ILE 47 2HD1 ILE 47 5.343 -1.265 8.602 360 H MET 48 HN MET 48 10.907 -1.080 6.642 361 HA MET 48 HA MET 48 11.846 1.563 6.019 362 1HB MET 48 2HB MET 48 13.041 -0.121 7.466 363 2HB MET 48 1HB MET 48 13.459 -1.002 5.996 364 1HG MET 48 2HG MET 48 14.932 0.620 5.272 365 2HG MET 48 1HG MET 48 14.058 1.923 6.077 366 1HE MET 48 3HE MET 48 14.367 2.814 8.122 367 2HE MET 48 2HE MET 48 15.809 2.626 9.115 368 3HE MET 48 1HE MET 48 15.964 3.161 7.444 369 H GLY 49 HN GLY 49 11.248 -1.272 4.057 370 1HA GLY 49 2HA GLY 49 12.912 -0.570 1.823 371 2HA GLY 49 1HA GLY 49 11.518 -1.649 1.756 372 H VAL 50 HN VAL 50 9.700 0.431 2.841 373 HA VAL 50 HA VAL 50 9.184 1.809 0.282 374 HB VAL 50 HB VAL 50 7.573 1.839 2.854 375 1HG1 VAL 50 1HG1 VAL 50 6.912 2.608 -0.006 376 2HG1 VAL 50 3HG1 VAL 50 5.734 2.516 1.303 377 3HG1 VAL 50 2HG1 VAL 50 7.036 3.703 1.370 378 1HG2 VAL 50 3HG2 VAL 50 8.034 -0.408 1.507 379 2HG2 VAL 50 2HG2 VAL 50 6.421 -0.037 2.114 380 3HG2 VAL 50 1HG2 VAL 50 6.815 0.260 0.421 381 H VAL 51 HN VAL 51 10.231 2.545 3.555 382 HA VAL 51 HA VAL 51 9.882 5.404 3.389 383 HB VAL 51 HB VAL 51 11.850 3.835 5.086 384 1HG1 VAL 51 1HG1 VAL 51 12.180 6.334 4.887 385 2HG1 VAL 51 3HG1 VAL 51 10.570 6.539 5.574 386 3HG1 VAL 51 2HG1 VAL 51 11.843 5.776 6.525 387 1HG2 VAL 51 3HG2 VAL 51 9.235 3.349 5.143 388 2HG2 VAL 51 2HG2 VAL 51 10.164 3.463 6.637 389 3HG2 VAL 51 1HG2 VAL 51 9.208 4.839 6.084 390 H SER 52 HN SER 52 12.397 3.186 2.348 391 HA SER 52 HA SER 52 14.486 5.124 1.979 392 1HB SER 52 2HB SER 52 15.239 3.328 0.216 393 2HB SER 52 1HB SER 52 15.261 2.922 1.929 394 HG SER 52 HG SER 52 14.061 1.580 0.131 395 H LEU 53 HN LEU 53 11.730 4.140 0.033 396 HA LEU 53 HA LEU 53 12.555 5.264 -2.464 397 1HB LEU 53 2HB LEU 53 9.769 4.936 -1.305 398 2HB LEU 53 1HB LEU 53 10.125 5.296 -2.996 399 HG LEU 53 HG LEU 53 11.357 2.902 -1.644 400 1HD1 LEU 53 1HD1 LEU 53 8.720 3.073 -1.556 401 2HD1 LEU 53 3HD1 LEU 53 8.845 2.659 -3.266 402 3HD1 LEU 53 2HD1 LEU 53 9.496 1.565 -2.044 403 1HD2 LEU 53 3HD2 LEU 53 10.915 3.916 -4.431 404 2HD2 LEU 53 2HD2 LEU 53 12.359 3.192 -3.721 405 3HD2 LEU 53 1HD2 LEU 53 10.992 2.173 -4.171 406 H GLY 54 HN GLY 54 10.136 6.654 -0.212 407 1HA GLY 54 2HA GLY 54 10.333 8.936 0.657 408 2HA GLY 54 1HA GLY 54 11.316 9.342 -0.750 409 H ILE 55 HN ILE 55 8.110 7.782 -0.368 410 HA ILE 55 HA ILE 55 7.075 9.257 -2.671 411 HB ILE 55 HB ILE 55 5.493 7.624 -0.664 412 1HG1 ILE 55 2HG1 ILE 55 6.858 6.678 -3.209 413 2HG1 ILE 55 1HG1 ILE 55 7.437 6.337 -1.580 414 1HG2 ILE 55 1HG2 ILE 55 5.052 8.624 -3.475 415 2HG2 ILE 55 3HG2 ILE 55 4.169 7.226 -2.863 416 3HG2 ILE 55 2HG2 ILE 55 4.000 8.791 -2.069 417 1HD1 ILE 55 1HD1 ILE 55 4.977 5.442 -1.225 418 2HD1 ILE 55 3HD1 ILE 55 5.000 5.293 -2.981 419 3HD1 ILE 55 2HD1 ILE 55 6.186 4.424 -2.007 420 H ALA 56 HN ALA 56 5.420 10.860 -2.586 421 HA ALA 56 HA ALA 56 4.903 12.044 0.102 422 1HB ALA 56 2HB ALA 56 6.585 13.140 -1.920 423 2HB ALA 56 1HB ALA 56 5.138 14.146 -1.841 424 3HB ALA 56 3HB ALA 56 6.107 13.879 -0.391 425 H LYS 57 HN LYS 57 3.396 14.226 -0.774 426 HA LYS 57 HA LYS 57 0.856 12.998 -1.323 427 1HB LYS 57 2HB LYS 57 1.661 15.913 -1.578 428 2HB LYS 57 1HB LYS 57 0.012 15.301 -1.465 429 1HG LYS 57 2HG LYS 57 0.141 15.028 0.781 430 2HG LYS 57 1HG LYS 57 1.762 14.340 0.696 431 1HD LYS 57 2HD LYS 57 2.069 16.383 1.849 432 2HD LYS 57 1HD LYS 57 2.551 16.750 0.192 433 1HE LYS 57 2HE LYS 57 0.362 17.724 -0.271 434 2HE LYS 57 1HE LYS 57 -0.210 17.269 1.334 435 1HZ LYS 57 3HZ LYS 57 2.135 19.027 0.900 436 2HZ LYS 57 2HZ LYS 57 0.556 19.626 1.081 437 3HZ LYS 57 1HZ LYS 57 1.289 18.760 2.345 438 H GLY 58 HN GLY 58 -0.457 13.243 -3.229 439 1HA GLY 58 2HA GLY 58 -0.840 13.236 -5.546 440 2HA GLY 58 1HA GLY 58 0.454 14.431 -5.668 441 H ALA 59 HN ALA 59 0.250 10.964 -4.797 442 HA ALA 59 HA ALA 59 2.455 10.468 -6.757 443 1HB ALA 59 3HB ALA 59 2.788 10.286 -4.070 444 2HB ALA 59 2HB ALA 59 2.221 8.653 -4.418 445 3HB ALA 59 1HB ALA 59 3.663 9.277 -5.220 446 H GLU 60 HN GLU 60 2.537 7.980 -7.225 447 HA GLU 60 HA GLU 60 -0.253 6.916 -7.410 448 1HB GLU 60 2HB GLU 60 1.891 7.014 -9.548 449 2HB GLU 60 1HB GLU 60 0.487 5.952 -9.654 450 1HG GLU 60 2HG GLU 60 -1.009 7.725 -9.870 451 2HG GLU 60 1HG GLU 60 0.077 8.870 -9.083 452 H ILE 61 HN ILE 61 -0.441 4.710 -7.017 453 HA ILE 61 HA ILE 61 2.042 3.107 -6.725 454 HB ILE 61 HB ILE 61 1.161 2.232 -4.521 455 1HG1 ILE 61 2HG1 ILE 61 -0.658 4.653 -4.796 456 2HG1 ILE 61 1HG1 ILE 61 -1.178 2.971 -4.789 457 1HG2 ILE 61 2HG2 ILE 61 2.896 4.154 -4.943 458 2HG2 ILE 61 1HG2 ILE 61 1.619 5.198 -4.319 459 3HG2 ILE 61 3HG2 ILE 61 2.270 3.904 -3.314 460 1HD1 ILE 61 3HD1 ILE 61 0.394 3.288 -2.463 461 2HD1 ILE 61 2HD1 ILE 61 -0.645 4.710 -2.541 462 3HD1 ILE 61 1HD1 ILE 61 -1.358 3.097 -2.547 463 H THR 62 HN THR 62 1.738 1.168 -7.699 464 HA THR 62 HA THR 62 -1.066 0.289 -8.220 465 HB THR 62 HB THR 62 1.418 -0.739 -9.600 466 HG1 THR 62 HG1 THR 62 1.447 1.394 -10.050 467 1HG2 THR 62 3HG2 THR 62 -1.530 -0.957 -9.936 468 2HG2 THR 62 2HG2 THR 62 -0.567 -0.841 -11.409 469 3HG2 THR 62 1HG2 THR 62 -0.269 -2.147 -10.261 470 H ILE 63 HN ILE 63 -1.697 -1.166 -6.700 471 HA ILE 63 HA ILE 63 0.290 -3.042 -5.545 472 HB ILE 63 HB ILE 63 -2.629 -2.576 -4.849 473 1HG1 ILE 63 2HG1 ILE 63 -0.104 -1.683 -3.424 474 2HG1 ILE 63 1HG1 ILE 63 -1.101 -0.634 -4.433 475 1HG2 ILE 63 1HG2 ILE 63 -0.470 -4.348 -3.732 476 2HG2 ILE 63 3HG2 ILE 63 -1.722 -3.714 -2.664 477 3HG2 ILE 63 2HG2 ILE 63 -2.165 -4.724 -4.041 478 1HD1 ILE 63 1HD1 ILE 63 -2.042 -2.101 -1.950 479 2HD1 ILE 63 3HD1 ILE 63 -1.681 -0.378 -2.047 480 3HD1 ILE 63 2HD1 ILE 63 -3.035 -1.047 -2.958 481 H SER 64 HN SER 64 -0.017 -5.329 -5.666 482 HA SER 64 HA SER 64 -2.166 -6.366 -7.409 483 1HB SER 64 2HB SER 64 -0.247 -7.683 -8.644 484 2HB SER 64 1HB SER 64 -0.659 -6.050 -9.158 485 HG SER 64 HG SER 64 1.458 -6.885 -7.464 486 H ALA 65 HN ALA 65 -2.964 -7.903 -6.057 487 HA ALA 65 HA ALA 65 -1.150 -9.457 -4.313 488 1HB ALA 65 2HB ALA 65 -3.411 -8.545 -3.556 489 2HB ALA 65 1HB ALA 65 -4.151 -9.754 -4.605 490 3HB ALA 65 3HB ALA 65 -3.144 -10.261 -3.249 491 H SER 66 HN SER 66 -0.522 -11.541 -4.795 492 HA SER 66 HA SER 66 -2.014 -13.013 -6.913 493 1HB SER 66 2HB SER 66 0.582 -11.845 -7.221 494 2HB SER 66 1HB SER 66 0.766 -13.596 -7.228 495 HG SER 66 HG SER 66 -0.929 -11.996 -8.848 496 H GLY 67 HN GLY 67 -2.784 -14.644 -5.608 497 1HA GLY 67 2HA GLY 67 -1.116 -16.792 -4.829 498 2HA GLY 67 1HA GLY 67 -1.382 -15.797 -3.397 499 H ALA 68 HN ALA 68 -2.858 -16.940 -2.206 500 HA ALA 68 HA ALA 68 -5.136 -18.260 -3.552 501 1HB ALA 68 3HB ALA 68 -3.922 -19.416 -1.708 502 2HB ALA 68 2HB ALA 68 -4.421 -18.132 -0.607 503 3HB ALA 68 1HB ALA 68 -5.632 -19.185 -1.340 504 H ASP 69 HN ASP 69 -4.758 -16.001 -0.796 505 HA ASP 69 HA ASP 69 -7.514 -15.009 -1.310 506 1HB ASP 69 2HB ASP 69 -7.182 -13.818 0.885 507 2HB ASP 69 1HB ASP 69 -7.052 -15.573 1.005 508 H GLU 70 HN GLU 70 -5.782 -14.272 -3.297 509 HA GLU 70 HA GLU 70 -4.418 -11.784 -2.849 510 1HB GLU 70 2HB GLU 70 -4.383 -11.604 -5.312 511 2HB GLU 70 1HB GLU 70 -3.928 -13.223 -4.790 512 1HG GLU 70 2HG GLU 70 -6.344 -13.911 -5.144 513 2HG GLU 70 1HG GLU 70 -6.609 -12.336 -5.888 514 H ASN 71 HN ASN 71 -7.705 -12.550 -3.971 515 HA ASN 71 HA ASN 71 -8.438 -9.811 -4.522 516 1HB ASN 71 2HB ASN 71 -9.886 -12.410 -4.233 517 2HB ASN 71 1HB ASN 71 -10.828 -10.921 -4.130 518 1HD2 ASN 71 2HD2 ASN 71 -9.642 -12.216 -7.735 519 2HD2 ASN 71 1HD2 ASN 71 -9.538 -13.163 -6.331 520 H ASP 72 HN ASP 72 -8.660 -11.887 -1.668 521 HA ASP 72 HA ASP 72 -10.264 -10.025 -0.133 522 1HB ASP 72 2HB ASP 72 -8.526 -12.352 0.726 523 2HB ASP 72 1HB ASP 72 -9.618 -11.473 1.795 524 H ALA 73 HN ALA 73 -6.846 -10.355 -0.782 525 HA ALA 73 HA ALA 73 -6.015 -8.752 1.514 526 1HB ALA 73 1HB ALA 73 -4.518 -9.627 -0.971 527 2HB ALA 73 3HB ALA 73 -3.784 -8.805 0.408 528 3HB ALA 73 2HB ALA 73 -4.480 -10.414 0.609 529 H LEU 74 HN LEU 74 -6.355 -8.158 -2.006 530 HA LEU 74 HA LEU 74 -5.359 -5.492 -1.936 531 1HB LEU 74 2HB LEU 74 -6.414 -5.182 -4.111 532 2HB LEU 74 1HB LEU 74 -5.669 -6.774 -4.029 533 HG LEU 74 HG LEU 74 -8.085 -7.490 -3.202 534 1HD1 LEU 74 1HD1 LEU 74 -8.528 -4.788 -3.732 535 2HD1 LEU 74 3HD1 LEU 74 -9.142 -5.595 -5.176 536 3HD1 LEU 74 2HD1 LEU 74 -9.776 -6.026 -3.588 537 1HD2 LEU 74 3HD2 LEU 74 -7.205 -6.941 -6.044 538 2HD2 LEU 74 2HD2 LEU 74 -7.067 -8.454 -5.149 539 3HD2 LEU 74 1HD2 LEU 74 -8.653 -7.868 -5.653 540 H ASN 75 HN ASN 75 -8.705 -6.694 -1.539 541 HA ASN 75 HA ASN 75 -9.782 -4.011 -1.288 542 1HB ASN 75 2HB ASN 75 -11.858 -5.085 -0.594 543 2HB ASN 75 1HB ASN 75 -11.184 -5.962 -1.965 544 1HD2 ASN 75 2HD2 ASN 75 -11.977 -8.026 1.314 545 2HD2 ASN 75 1HD2 ASN 75 -12.686 -6.541 0.900 546 H ALA 76 HN ALA 76 -8.331 -6.311 0.912 547 HA ALA 76 HA ALA 76 -9.279 -5.249 3.386 548 1HB ALA 76 2HB ALA 76 -7.884 -7.386 2.940 549 2HB ALA 76 1HB ALA 76 -6.484 -6.315 2.988 550 3HB ALA 76 3HB ALA 76 -7.526 -6.470 4.403 551 H LEU 77 HN LEU 77 -6.151 -4.603 1.740 552 HA LEU 77 HA LEU 77 -5.470 -2.387 3.432 553 1HB LEU 77 2HB LEU 77 -4.542 -2.855 0.586 554 2HB LEU 77 1HB LEU 77 -3.712 -1.934 1.839 555 HG LEU 77 HG LEU 77 -4.228 -4.525 2.920 556 1HD1 LEU 77 3HD1 LEU 77 -4.286 -4.854 0.239 557 2HD1 LEU 77 2HD1 LEU 77 -2.546 -4.952 0.511 558 3HD1 LEU 77 1HD1 LEU 77 -3.632 -6.065 1.342 559 1HD2 LEU 77 1HD2 LEU 77 -2.338 -3.006 3.461 560 2HD2 LEU 77 3HD2 LEU 77 -1.779 -4.623 3.033 561 3HD2 LEU 77 2HD2 LEU 77 -1.656 -3.311 1.863 562 H GLU 78 HN GLU 78 -7.562 -2.661 0.648 563 HA GLU 78 HA GLU 78 -7.486 0.061 -0.232 564 1HB GLU 78 2HB GLU 78 -8.514 -1.768 -1.543 565 2HB GLU 78 1HB GLU 78 -9.785 -1.918 -0.334 566 1HG GLU 78 2HG GLU 78 -9.520 0.843 -1.214 567 2HG GLU 78 1HG GLU 78 -9.793 -0.229 -2.586 568 H GLU 79 HN GLU 79 -10.055 -1.499 1.749 569 HA GLU 79 HA GLU 79 -11.293 0.945 2.520 570 1HB GLU 79 2HB GLU 79 -12.331 -0.399 4.344 571 2HB GLU 79 1HB GLU 79 -12.431 -1.202 2.778 572 1HG GLU 79 2HG GLU 79 -11.595 -2.981 3.942 573 2HG GLU 79 1HG GLU 79 -10.055 -2.174 3.648 574 H THR 80 HN THR 80 -8.594 -0.842 3.955 575 HA THR 80 HA THR 80 -8.450 0.616 6.418 576 HB THR 80 HB THR 80 -6.155 -0.596 4.843 577 HG1 THR 80 HG1 THR 80 -7.751 -1.763 6.871 578 1HG2 THR 80 1HG2 THR 80 -6.490 0.519 7.580 579 2HG2 THR 80 3HG2 THR 80 -5.537 -0.957 7.437 580 3HG2 THR 80 2HG2 THR 80 -5.064 0.488 6.544 581 H MET 81 HN MET 81 -7.291 1.271 3.171 582 HA MET 81 HA MET 81 -5.624 3.533 3.857 583 1HB MET 81 2HB MET 81 -6.880 2.530 1.297 584 2HB MET 81 1HB MET 81 -5.973 4.039 1.343 585 1HG MET 81 2HG MET 81 -4.677 1.682 2.612 586 2HG MET 81 1HG MET 81 -4.812 1.649 0.854 587 1HE MET 81 2HE MET 81 -2.506 1.621 0.301 588 2HE MET 81 1HE MET 81 -3.245 2.849 -0.723 589 3HE MET 81 3HE MET 81 -1.647 3.125 -0.018 590 H LYS 82 HN LYS 82 -9.026 3.070 3.115 591 HA LYS 82 HA LYS 82 -9.574 5.934 2.856 592 1HB LYS 82 2HB LYS 82 -11.359 3.489 3.029 593 2HB LYS 82 1HB LYS 82 -11.977 5.133 2.842 594 1HG LYS 82 2HG LYS 82 -9.911 3.981 0.961 595 2HG LYS 82 1HG LYS 82 -11.641 3.779 0.685 596 1HD LYS 82 2HD LYS 82 -10.308 6.470 1.087 597 2HD LYS 82 1HD LYS 82 -10.646 5.769 -0.496 598 1HE LYS 82 2HE LYS 82 -13.078 5.545 0.298 599 2HE LYS 82 1HE LYS 82 -12.624 6.616 1.624 600 1HZ LYS 82 3HZ LYS 82 -11.719 8.123 -0.189 601 2HZ LYS 82 2HZ LYS 82 -12.618 7.178 -1.277 602 3HZ LYS 82 1HZ LYS 82 -13.405 8.029 -0.034 603 H SER 83 HN SER 83 -9.375 3.654 5.465 604 HA SER 83 HA SER 83 -11.136 5.142 7.263 605 1HB SER 83 2HB SER 83 -10.489 3.530 8.927 606 2HB SER 83 1HB SER 83 -10.688 2.651 7.413 607 HG SER 83 HG SER 83 -8.744 1.997 8.071 608 H GLU 84 HN GLU 84 -7.610 4.711 6.903 609 HA GLU 84 HA GLU 84 -7.047 6.648 9.026 610 1HB GLU 84 2HB GLU 84 -5.433 4.948 7.168 611 2HB GLU 84 1HB GLU 84 -4.657 6.361 7.885 612 1HG GLU 84 2HG GLU 84 -6.240 4.583 9.689 613 2HG GLU 84 1HG GLU 84 -4.670 4.001 9.134 614 H GLY 85 HN GLY 85 -7.330 6.661 5.528 615 1HA GLY 85 2HA GLY 85 -7.751 8.649 4.243 616 2HA GLY 85 1HA GLY 85 -7.095 9.615 5.566 617 H LEU 86 HN LEU 86 -5.498 6.761 4.275 618 HA LEU 86 HA LEU 86 -3.084 8.330 3.736 619 1HB LEU 86 2HB LEU 86 -3.745 5.393 3.402 620 2HB LEU 86 1HB LEU 86 -2.164 6.086 3.040 621 HG LEU 86 HG LEU 86 -3.552 6.302 5.729 622 1HD1 LEU 86 3HD1 LEU 86 -1.511 4.380 4.623 623 2HD1 LEU 86 2HD1 LEU 86 -1.574 4.738 6.349 624 3HD1 LEU 86 1HD1 LEU 86 -2.972 4.026 5.544 625 1HD2 LEU 86 2HD2 LEU 86 -0.988 7.304 4.552 626 2HD2 LEU 86 1HD2 LEU 86 -2.058 8.073 5.725 627 3HD2 LEU 86 3HD2 LEU 86 -0.970 6.781 6.237 628 H GLY 87 HN GLY 87 -5.033 6.079 1.736 629 1HA GLY 87 2HA GLY 87 -4.692 7.934 -0.563 630 2HA GLY 87 1HA GLY 87 -4.167 6.261 -0.756 631 H GLU 88 HN GLU 88 -5.942 6.582 -2.524 632 HA GLU 88 HA GLU 88 -8.574 5.780 -1.343 633 1HB GLU 88 2HB GLU 88 -9.599 6.783 -3.413 634 2HB GLU 88 1HB GLU 88 -8.826 7.966 -2.358 635 1HG GLU 88 2HG GLU 88 -7.224 8.472 -3.891 636 2HG GLU 88 1HG GLU 88 -7.014 6.786 -4.367 No H/Q in entry = 636 Start of MODEL 21 1 1H ALA 2 3HT ALA 2 -5.344 -9.595 -9.673 2 2H ALA 2 2HT ALA 2 -6.676 -10.644 -9.563 3 3H ALA 2 1HT ALA 2 -6.895 -9.037 -10.069 4 HA ALA 2 HA ALA 2 -7.604 -8.985 -7.877 5 1HB ALA 2 2HB ALA 2 -5.376 -10.958 -7.520 6 2HB ALA 2 1HB ALA 2 -5.891 -10.000 -6.132 7 3HB ALA 2 3HB ALA 2 -7.045 -11.046 -6.960 8 H GLN 3 HN GLN 3 -5.845 -7.354 -9.572 9 HA GLN 3 HA GLN 3 -4.098 -6.078 -7.512 10 1HB GLN 3 2HB GLN 3 -3.105 -4.878 -9.524 11 2HB GLN 3 1HB GLN 3 -2.826 -6.616 -9.474 12 1HG GLN 3 2HG GLN 3 -4.539 -7.030 -11.097 13 2HG GLN 3 1HG GLN 3 -5.147 -5.379 -10.970 14 1HE2 GLN 3 2HE2 GLN 3 -1.973 -6.181 -13.386 15 2HE2 GLN 3 1HE2 GLN 3 -2.669 -7.400 -12.431 16 H LYS 4 HN LYS 4 -4.255 -3.808 -7.189 17 HA LYS 4 HA LYS 4 -6.525 -2.408 -8.499 18 1HB LYS 4 2HB LYS 4 -6.513 -3.373 -5.763 19 2HB LYS 4 1HB LYS 4 -6.620 -1.613 -5.783 20 1HG LYS 4 2HG LYS 4 -8.494 -1.809 -7.446 21 2HG LYS 4 1HG LYS 4 -8.442 -3.559 -7.231 22 1HD LYS 4 2HD LYS 4 -10.041 -3.044 -5.649 23 2HD LYS 4 1HD LYS 4 -8.595 -2.866 -4.653 24 1HE LYS 4 2HE LYS 4 -10.005 -0.909 -4.337 25 2HE LYS 4 1HE LYS 4 -8.562 -0.428 -5.230 26 1HZ LYS 4 1HZ LYS 4 -10.986 -1.261 -6.678 27 2HZ LYS 4 3HZ LYS 4 -10.868 0.317 -6.066 28 3HZ LYS 4 2HZ LYS 4 -9.726 -0.243 -7.191 29 H THR 5 HN THR 5 -6.295 -0.110 -8.469 30 HA THR 5 HA THR 5 -3.518 0.795 -7.852 31 HB THR 5 HB THR 5 -5.572 2.213 -9.568 32 HG1 THR 5 HG1 THR 5 -3.496 0.477 -10.407 33 1HG2 THR 5 3HG2 THR 5 -3.467 3.370 -8.609 34 2HG2 THR 5 2HG2 THR 5 -2.564 2.351 -9.731 35 3HG2 THR 5 1HG2 THR 5 -3.754 3.500 -10.344 36 H PHE 6 HN PHE 6 -3.229 2.794 -6.712 37 HA PHE 6 HA PHE 6 -5.665 3.918 -5.412 38 1HB PHE 6 2HB PHE 6 -3.113 3.068 -4.012 39 2HB PHE 6 1HB PHE 6 -4.395 4.016 -3.257 40 HD1 PHE 6 1HD PHE 6 -3.706 0.776 -4.980 41 HD2 PHE 6 2HD PHE 6 -6.318 2.967 -2.367 42 HE1 PHE 6 1HE PHE 6 -4.955 -1.308 -4.482 43 HE2 PHE 6 2HE PHE 6 -7.569 0.884 -1.872 44 HZ PHE 6 HZ PHE 6 -6.887 -1.254 -2.927 45 H LYS 7 HN LYS 7 -5.145 6.067 -4.360 46 HA LYS 7 HA LYS 7 -3.067 7.501 -5.969 47 1HB LYS 7 2HB LYS 7 -5.641 8.053 -6.135 48 2HB LYS 7 1HB LYS 7 -5.349 8.910 -4.621 49 1HG LYS 7 2HG LYS 7 -4.954 10.560 -6.252 50 2HG LYS 7 1HG LYS 7 -3.334 9.975 -5.871 51 1HD LYS 7 2HD LYS 7 -3.096 8.898 -7.892 52 2HD LYS 7 1HD LYS 7 -4.821 8.561 -8.035 53 1HE LYS 7 2HE LYS 7 -4.025 10.265 -9.684 54 2HE LYS 7 1HE LYS 7 -5.274 10.884 -8.606 55 1HZ LYS 7 1HZ LYS 7 -2.429 11.189 -7.910 56 2HZ LYS 7 3HZ LYS 7 -3.158 12.271 -8.993 57 3HZ LYS 7 2HZ LYS 7 -3.760 12.120 -7.412 58 H VAL 8 HN VAL 8 -1.499 8.593 -4.858 59 HA VAL 8 HA VAL 8 -1.462 8.320 -1.919 60 HB VAL 8 HB VAL 8 0.632 9.517 -3.757 61 1HG1 VAL 8 2HG1 VAL 8 0.552 9.878 -1.144 62 2HG1 VAL 8 1HG1 VAL 8 1.140 8.215 -1.100 63 3HG1 VAL 8 3HG1 VAL 8 2.076 9.460 -1.928 64 1HG2 VAL 8 1HG2 VAL 8 0.251 6.683 -2.744 65 2HG2 VAL 8 3HG2 VAL 8 0.218 7.214 -4.424 66 3HG2 VAL 8 2HG2 VAL 8 1.726 7.268 -3.514 67 H THR 9 HN THR 9 -2.843 9.868 -1.064 68 HA THR 9 HA THR 9 -2.201 12.713 -1.734 69 HB THR 9 HB THR 9 -4.898 11.866 -0.707 70 HG1 THR 9 HG1 THR 9 -5.540 11.677 -2.883 71 1HG2 THR 9 1HG2 THR 9 -3.909 14.299 -1.020 72 2HG2 THR 9 3HG2 THR 9 -4.340 14.023 -2.708 73 3HG2 THR 9 2HG2 THR 9 -5.582 13.951 -1.456 74 H ALA 10 HN ALA 10 -1.154 10.875 0.409 75 HA ALA 10 HA ALA 10 -2.339 11.789 2.903 76 1HB ALA 10 3HB ALA 10 -0.078 10.031 2.094 77 2HB ALA 10 2HB ALA 10 0.041 10.788 3.682 78 3HB ALA 10 1HB ALA 10 -1.338 9.759 3.297 79 H ASP 11 HN ASP 11 -1.232 13.157 4.463 80 HA ASP 11 HA ASP 11 -0.063 15.515 3.311 81 1HB ASP 11 2HB ASP 11 -1.316 15.344 5.529 82 2HB ASP 11 1HB ASP 11 0.163 14.659 6.207 83 H SER 12 HN SER 12 1.332 12.756 5.085 84 HA SER 12 HA SER 12 4.057 13.779 4.452 85 1HB SER 12 2HB SER 12 4.864 12.278 6.141 86 2HB SER 12 1HB SER 12 3.432 13.054 6.810 87 HG SER 12 HG SER 12 3.094 10.936 7.161 88 H GLY 13 HN GLY 13 2.079 12.342 2.566 89 1HA GLY 13 2HA GLY 13 2.255 10.785 0.824 90 2HA GLY 13 1HA GLY 13 3.997 10.828 1.097 91 H ILE 14 HN ILE 14 4.533 8.674 1.141 92 HA ILE 14 HA ILE 14 3.064 6.953 3.101 93 HB ILE 14 HB ILE 14 4.539 6.054 0.609 94 1HG1 ILE 14 2HG1 ILE 14 1.552 6.229 1.102 95 2HG1 ILE 14 1HG1 ILE 14 2.466 7.401 0.152 96 1HG2 ILE 14 3HG2 ILE 14 4.104 4.569 2.784 97 2HG2 ILE 14 2HG2 ILE 14 2.499 4.424 2.065 98 3HG2 ILE 14 1HG2 ILE 14 3.922 3.897 1.165 99 1HD1 ILE 14 2HD1 ILE 14 2.300 4.429 -0.432 100 2HD1 ILE 14 1HD1 ILE 14 1.413 5.686 -1.295 101 3HD1 ILE 14 3HD1 ILE 14 3.173 5.624 -1.392 102 1HN HIP 15 HN HIP 15 4.526 7.535 4.797 103 HA HIP 15 HA HIP 15 7.347 6.710 4.387 104 1HB HIP 15 1HB HIP 15 6.918 9.042 5.200 105 2HB HIP 15 2HB HIP 15 7.931 8.095 6.271 106 HD2 HIP 15 2HD HIP 15 3.979 8.609 6.225 107 HE2 HIP 15 2HE HIP 15 3.334 9.051 8.701 108 HE1 HIP 15 1HE HIP 15 5.401 9.048 10.162 109 H ALA 16 HN ALA 16 7.435 6.503 7.526 110 HA ALA 16 HA ALA 16 7.122 3.638 7.565 111 1HB ALA 16 2HB ALA 16 8.733 5.166 8.930 112 2HB ALA 16 1HB ALA 16 7.379 5.298 10.053 113 3HB ALA 16 3HB ALA 16 8.076 3.719 9.693 114 H ARG 17 HN ARG 17 5.192 6.285 9.027 115 HA ARG 17 HA ARG 17 3.485 4.713 10.611 116 1HB ARG 17 2HB ARG 17 3.614 7.370 10.015 117 2HB ARG 17 1HB ARG 17 2.122 6.917 9.197 118 1HG ARG 17 2HG ARG 17 1.033 6.429 11.151 119 2HG ARG 17 1HG ARG 17 2.497 5.846 11.943 120 1HD ARG 17 2HD ARG 17 3.079 7.928 12.701 121 2HD ARG 17 1HD ARG 17 2.433 8.742 11.276 122 HE ARG 17 HE ARG 17 0.457 7.584 13.148 123 1HH1 ARG 17 HH21 ARG 17 -0.232 9.671 11.119 124 2HH1 ARG 17 HH22 ARG 17 -0.290 11.111 12.080 125 1HH2 ARG 17 HH11 ARG 17 1.426 9.716 14.750 126 2HH2 ARG 17 HH12 ARG 17 0.650 11.136 14.135 127 HA PRO 18 HA PRO 18 0.470 4.078 6.964 128 1HB PRO 18 2HB PRO 18 1.365 4.607 4.416 129 2HB PRO 18 1HB PRO 18 0.478 5.772 5.414 130 1HG PRO 18 2HG PRO 18 3.395 5.675 4.778 131 2HG PRO 18 1HG PRO 18 2.370 7.075 5.139 132 1HD PRO 18 2HD PRO 18 4.145 5.871 6.940 133 2HD PRO 18 1HD PRO 18 2.816 6.952 7.387 134 H ALA 19 HN ALA 19 3.888 3.414 6.548 135 HA ALA 19 HA ALA 19 3.519 1.030 4.918 136 1HB ALA 19 3HB ALA 19 5.655 2.503 5.208 137 2HB ALA 19 2HB ALA 19 5.931 1.525 6.649 138 3HB ALA 19 1HB ALA 19 5.844 0.756 5.063 139 H THR 20 HN THR 20 3.359 1.756 8.321 140 HA THR 20 HA THR 20 3.735 -1.028 9.166 141 HB THR 20 HB THR 20 2.501 1.041 10.942 142 HG1 THR 20 HG1 THR 20 4.660 1.811 11.318 143 1HG2 THR 20 1HG2 THR 20 3.288 -1.464 11.411 144 2HG2 THR 20 3HG2 THR 20 4.846 -0.669 11.635 145 3HG2 THR 20 2HG2 THR 20 3.466 -0.199 12.627 146 H VAL 21 HN VAL 21 1.097 1.181 8.449 147 HA VAL 21 HA VAL 21 -1.013 -0.446 9.583 148 HB VAL 21 HB VAL 21 -1.257 1.516 7.311 149 1HG1 VAL 21 1HG1 VAL 21 -3.143 -0.121 8.292 150 2HG1 VAL 21 3HG1 VAL 21 -3.292 1.189 9.461 151 3HG1 VAL 21 2HG1 VAL 21 -3.516 1.511 7.744 152 1HG2 VAL 21 2HG2 VAL 21 -0.715 1.931 10.207 153 2HG2 VAL 21 1HG2 VAL 21 -0.308 2.957 8.833 154 3HG2 VAL 21 3HG2 VAL 21 -1.945 2.967 9.487 155 H LEU 22 HN LEU 22 0.362 -0.041 6.364 156 HA LEU 22 HA LEU 22 -1.406 -1.893 5.052 157 1HB LEU 22 2HB LEU 22 1.312 -0.779 4.327 158 2HB LEU 22 1HB LEU 22 0.337 -1.771 3.236 159 HG LEU 22 HG LEU 22 -0.625 0.808 4.521 160 1HD1 LEU 22 1HD1 LEU 22 0.631 0.208 1.832 161 2HD1 LEU 22 3HD1 LEU 22 -0.417 1.608 2.072 162 3HD1 LEU 22 2HD1 LEU 22 1.079 1.459 2.993 163 1HD2 LEU 22 2HD2 LEU 22 -1.743 -1.081 2.428 164 2HD2 LEU 22 1HD2 LEU 22 -2.485 -0.596 3.954 165 3HD2 LEU 22 3HD2 LEU 22 -2.342 0.566 2.634 166 H VAL 23 HN VAL 23 2.001 -2.217 6.153 167 HA VAL 23 HA VAL 23 2.376 -4.906 5.377 168 HB VAL 23 HB VAL 23 4.197 -3.447 6.206 169 1HG1 VAL 23 1HG1 VAL 23 2.835 -2.446 8.074 170 2HG1 VAL 23 3HG1 VAL 23 3.044 -3.956 8.962 171 3HG1 VAL 23 2HG1 VAL 23 4.449 -2.966 8.560 172 1HG2 VAL 23 2HG2 VAL 23 4.032 -6.123 6.464 173 2HG2 VAL 23 1HG2 VAL 23 5.444 -5.210 6.999 174 3HG2 VAL 23 3HG2 VAL 23 4.212 -5.694 8.166 175 H GLN 24 HN GLN 24 0.614 -3.599 8.111 176 HA GLN 24 HA GLN 24 0.428 -6.091 9.581 177 1HB GLN 24 2HB GLN 24 -1.026 -3.454 9.686 178 2HB GLN 24 1HB GLN 24 -1.581 -4.823 10.646 179 1HG GLN 24 2HG GLN 24 1.265 -4.608 10.952 180 2HG GLN 24 1HG GLN 24 0.557 -3.019 11.227 181 1HE2 GLN 24 2HE2 GLN 24 -1.176 -4.007 14.191 182 2HE2 GLN 24 1HE2 GLN 24 -1.128 -2.855 12.944 183 H THR 25 HN THR 25 -1.581 -4.474 7.149 184 HA THR 25 HA THR 25 -3.778 -6.356 7.360 185 HB THR 25 HB THR 25 -3.251 -4.799 4.859 186 HG1 THR 25 HG1 THR 25 -4.110 -2.966 5.967 187 1HG2 THR 25 2HG2 THR 25 -5.320 -6.302 5.559 188 2HG2 THR 25 1HG2 THR 25 -5.801 -4.839 6.417 189 3HG2 THR 25 3HG2 THR 25 -5.556 -4.796 4.672 190 H ALA 26 HN ALA 26 -1.500 -5.824 4.640 191 HA ALA 26 HA ALA 26 -2.093 -8.206 3.248 192 1HB ALA 26 3HB ALA 26 0.462 -6.588 3.379 193 2HB ALA 26 2HB ALA 26 0.209 -7.912 2.243 194 3HB ALA 26 1HB ALA 26 -0.814 -6.478 2.167 195 H SER 27 HN SER 27 -0.118 -7.738 6.099 196 HA SER 27 HA SER 27 1.491 -10.091 5.938 197 1HB SER 27 2HB SER 27 2.096 -8.541 7.621 198 2HB SER 27 1HB SER 27 0.453 -8.448 8.248 199 HG SER 27 HG SER 27 1.781 -9.747 9.567 200 H LYS 28 HN LYS 28 -1.776 -9.567 7.232 201 HA LYS 28 HA LYS 28 -2.120 -12.244 8.235 202 1HB LYS 28 2HB LYS 28 -4.239 -10.272 7.324 203 2HB LYS 28 1HB LYS 28 -4.496 -11.670 8.369 204 1HG LYS 28 2HG LYS 28 -2.559 -9.452 9.064 205 2HG LYS 28 1HG LYS 28 -4.250 -9.428 9.564 206 1HD LYS 28 2HD LYS 28 -2.753 -11.942 10.100 207 2HD LYS 28 1HD LYS 28 -2.304 -10.540 11.070 208 1HE LYS 28 2HE LYS 28 -4.950 -10.297 11.288 209 2HE LYS 28 1HE LYS 28 -4.890 -12.032 10.979 210 1HZ LYS 28 2HZ LYS 28 -3.044 -11.978 12.769 211 2HZ LYS 28 1HZ LYS 28 -3.762 -10.507 13.226 212 3HZ LYS 28 3HZ LYS 28 -4.673 -11.937 13.251 213 H TYR 29 HN TYR 29 -2.447 -10.799 5.058 214 HA TYR 29 HA TYR 29 -3.884 -13.155 4.007 215 1HB TYR 29 2HB TYR 29 -2.887 -10.621 2.660 216 2HB TYR 29 1HB TYR 29 -3.776 -11.906 1.838 217 HD1 TYR 29 2HD TYR 29 -6.098 -12.499 2.585 218 HD2 TYR 29 1HD TYR 29 -4.019 -9.051 4.082 219 HE1 TYR 29 2HE TYR 29 -8.240 -11.569 3.415 220 HE2 TYR 29 1HE TYR 29 -6.163 -8.122 4.916 221 HH TYR 29 HH TYR 29 -8.972 -9.957 5.194 222 H ASP 30 HN ASP 30 -2.871 -14.857 3.102 223 HA ASP 30 HA ASP 30 0.008 -15.050 3.094 224 1HB ASP 30 2HB ASP 30 -2.016 -16.859 1.742 225 2HB ASP 30 1HB ASP 30 -0.346 -17.269 2.140 226 H ALA 31 HN ALA 31 -2.336 -14.051 0.708 227 HA ALA 31 HA ALA 31 -0.934 -14.580 -1.692 228 1HB ALA 31 2HB ALA 31 -2.988 -12.610 -0.823 229 2HB ALA 31 1HB ALA 31 -2.109 -12.233 -2.303 230 3HB ALA 31 3HB ALA 31 -3.015 -13.740 -2.176 231 H ASP 32 HN ASP 32 0.626 -13.398 -2.856 232 HA ASP 32 HA ASP 32 2.341 -11.654 -1.204 233 1HB ASP 32 2HB ASP 32 2.653 -12.995 -3.890 234 2HB ASP 32 1HB ASP 32 3.780 -11.748 -3.359 235 H VAL 33 HN VAL 33 1.098 -9.741 -1.101 236 HA VAL 33 HA VAL 33 0.295 -8.433 -3.623 237 HB VAL 33 HB VAL 33 -0.748 -6.750 -2.158 238 1HG1 VAL 33 1HG1 VAL 33 -1.406 -9.523 -2.266 239 2HG1 VAL 33 3HG1 VAL 33 -1.737 -8.980 -0.619 240 3HG1 VAL 33 2HG1 VAL 33 -2.492 -8.164 -1.990 241 1HG2 VAL 33 2HG2 VAL 33 1.051 -7.998 -0.183 242 2HG2 VAL 33 1HG2 VAL 33 0.360 -6.379 -0.206 243 3HG2 VAL 33 3HG2 VAL 33 -0.585 -7.732 0.414 244 H ASN 34 HN ASN 34 1.836 -7.313 -4.698 245 HA ASN 34 HA ASN 34 4.008 -6.004 -3.124 246 1HB ASN 34 2HB ASN 34 3.893 -6.619 -6.093 247 2HB ASN 34 1HB ASN 34 5.288 -6.005 -5.205 248 1HD2 ASN 34 2HD2 ASN 34 5.367 -9.812 -5.512 249 2HD2 ASN 34 1HD2 ASN 34 5.071 -8.605 -6.669 250 H LEU 35 HN LEU 35 4.265 -3.800 -3.208 251 HA LEU 35 HA LEU 35 2.192 -2.264 -4.695 252 1HB LEU 35 2HB LEU 35 2.430 -1.888 -2.237 253 2HB LEU 35 1HB LEU 35 4.083 -1.341 -2.508 254 HG LEU 35 HG LEU 35 2.183 0.014 -4.278 255 1HD1 LEU 35 2HD1 LEU 35 1.630 -0.117 -1.348 256 2HD1 LEU 35 1HD1 LEU 35 1.482 1.455 -2.133 257 3HD1 LEU 35 3HD1 LEU 35 0.512 0.094 -2.695 258 1HD2 LEU 35 2HD2 LEU 35 4.428 0.676 -2.410 259 2HD2 LEU 35 1HD2 LEU 35 4.226 1.093 -4.111 260 3HD2 LEU 35 3HD2 LEU 35 3.329 1.974 -2.875 261 H GLU 36 HN GLU 36 2.860 -1.485 -6.640 262 HA GLU 36 HA GLU 36 5.738 -1.131 -7.182 263 1HB GLU 36 2HB GLU 36 4.172 -2.211 -8.836 264 2HB GLU 36 1HB GLU 36 3.392 -0.641 -9.034 265 1HG GLU 36 2HG GLU 36 5.223 0.292 -10.103 266 2HG GLU 36 1HG GLU 36 6.369 -0.791 -9.310 267 H TYR 37 HN TYR 37 6.710 0.860 -7.606 268 HA TYR 37 HA TYR 37 4.995 3.287 -7.331 269 1HB TYR 37 2HB TYR 37 6.119 2.869 -5.166 270 2HB TYR 37 1HB TYR 37 7.680 2.848 -5.980 271 HD1 TYR 37 1HD TYR 37 4.762 5.125 -6.583 272 HD2 TYR 37 2HD TYR 37 8.795 4.750 -5.143 273 HE1 TYR 37 1HE TYR 37 4.918 7.592 -6.370 274 HE2 TYR 37 2HE TYR 37 8.950 7.216 -4.936 275 HH TYR 37 HH TYR 37 7.852 9.215 -5.934 276 H ASN 38 HN ASN 38 5.334 2.935 -9.767 277 HA ASN 38 HA ASN 38 6.361 3.559 -11.783 278 1HB ASN 38 2HB ASN 38 6.132 5.747 -10.261 279 2HB ASN 38 1HB ASN 38 7.892 5.695 -10.371 280 1HD2 ASN 38 2HD2 ASN 38 7.918 6.912 -13.668 281 2HD2 ASN 38 1HD2 ASN 38 8.779 6.601 -12.239 282 H GLY 39 HN GLY 39 7.691 1.427 -11.153 283 1HA GLY 39 2HA GLY 39 9.799 0.562 -11.942 284 2HA GLY 39 1HA GLY 39 10.527 2.128 -11.604 285 H LYS 40 HN LYS 40 9.527 2.443 -8.933 286 HA LYS 40 HA LYS 40 11.375 0.600 -7.547 287 1HB LYS 40 2HB LYS 40 9.789 2.997 -6.579 288 2HB LYS 40 1HB LYS 40 10.888 2.061 -5.567 289 1HG LYS 40 2HG LYS 40 12.039 2.955 -8.142 290 2HG LYS 40 1HG LYS 40 11.635 4.257 -7.023 291 1HD LYS 40 2HD LYS 40 13.919 3.544 -6.593 292 2HD LYS 40 1HD LYS 40 12.907 3.049 -5.235 293 1HE LYS 40 2HE LYS 40 12.972 0.799 -5.831 294 2HE LYS 40 1HE LYS 40 13.310 1.153 -7.526 295 1HZ LYS 40 3HZ LYS 40 15.261 1.894 -5.450 296 2HZ LYS 40 2HZ LYS 40 15.195 0.293 -6.014 297 3HZ LYS 40 1HZ LYS 40 15.519 1.563 -7.094 298 H THR 41 HN THR 41 10.199 -1.367 -7.600 299 HA THR 41 HA THR 41 7.509 -1.393 -6.357 300 HB THR 41 HB THR 41 9.061 -3.687 -7.583 301 HG1 THR 41 HG1 THR 41 8.430 -2.964 -9.437 302 1HG2 THR 41 3HG2 THR 41 6.931 -3.865 -5.954 303 2HG2 THR 41 2HG2 THR 41 6.089 -3.567 -7.474 304 3HG2 THR 41 1HG2 THR 41 7.166 -4.956 -7.319 305 H VAL 42 HN VAL 42 7.501 -1.541 -4.185 306 HA VAL 42 HA VAL 42 9.568 -3.259 -2.872 307 HB VAL 42 HB VAL 42 8.724 -1.977 -0.755 308 1HG1 VAL 42 2HG1 VAL 42 10.648 -1.216 -2.861 309 2HG1 VAL 42 1HG1 VAL 42 10.227 0.075 -1.737 310 3HG1 VAL 42 3HG1 VAL 42 10.893 -1.440 -1.128 311 1HG2 VAL 42 1HG2 VAL 42 6.817 -0.869 -1.916 312 2HG2 VAL 42 3HG2 VAL 42 7.929 0.299 -1.203 313 3HG2 VAL 42 2HG2 VAL 42 7.965 -0.006 -2.939 314 H ASN 43 HN ASN 43 8.855 -4.792 -1.339 315 HA ASN 43 HA ASN 43 6.281 -5.967 -1.838 316 1HB ASN 43 2HB ASN 43 8.474 -7.031 -0.862 317 2HB ASN 43 1HB ASN 43 7.834 -6.483 0.688 318 1HD2 ASN 43 2HD2 ASN 43 6.145 -9.617 0.715 319 2HD2 ASN 43 1HD2 ASN 43 7.429 -8.723 1.373 320 H LEU 44 HN LEU 44 4.364 -5.808 -0.651 321 HA LEU 44 HA LEU 44 3.779 -3.397 0.718 322 1HB LEU 44 2HB LEU 44 2.190 -5.199 -0.310 323 2HB LEU 44 1HB LEU 44 2.301 -5.976 1.264 324 HG LEU 44 HG LEU 44 0.314 -4.472 1.035 325 1HD1 LEU 44 2HD1 LEU 44 1.920 -4.854 3.188 326 2HD1 LEU 44 1HD1 LEU 44 1.937 -3.093 3.083 327 3HD1 LEU 44 3HD1 LEU 44 0.406 -3.952 3.236 328 1HD2 LEU 44 2HD2 LEU 44 1.604 -2.758 -0.383 329 2HD2 LEU 44 1HD2 LEU 44 0.534 -2.105 0.859 330 3HD2 LEU 44 3HD2 LEU 44 2.275 -2.169 1.137 331 H LYS 45 HN LYS 45 5.076 -6.438 1.879 332 HA LYS 45 HA LYS 45 4.834 -5.595 4.705 333 1HB LYS 45 2HB LYS 45 6.140 -8.072 3.532 334 2HB LYS 45 1HB LYS 45 5.744 -7.799 5.229 335 1HG LYS 45 2HG LYS 45 3.865 -8.985 4.631 336 2HG LYS 45 1HG LYS 45 3.312 -7.374 4.171 337 1HD LYS 45 2HD LYS 45 3.557 -7.782 1.912 338 2HD LYS 45 1HD LYS 45 4.871 -8.933 2.157 339 1HE LYS 45 2HE LYS 45 2.094 -9.584 3.114 340 2HE LYS 45 1HE LYS 45 2.535 -9.839 1.425 341 1HZ LYS 45 1HZ LYS 45 4.575 -11.018 2.451 342 2HZ LYS 45 3HZ LYS 45 3.609 -11.133 3.839 343 3HZ LYS 45 2HZ LYS 45 3.089 -11.838 2.384 344 H SER 46 HN SER 46 6.271 -3.687 3.719 345 HA SER 46 HA SER 46 9.033 -4.225 4.631 346 1HB SER 46 2HB SER 46 8.674 -4.441 1.990 347 2HB SER 46 1HB SER 46 8.767 -2.684 2.073 348 HG SER 46 HG SER 46 10.699 -4.620 2.552 349 H ILE 47 HN ILE 47 8.437 -2.848 6.383 350 HA ILE 47 HA ILE 47 7.332 -0.210 5.970 351 HB ILE 47 HB ILE 47 8.850 -1.236 8.380 352 1HG1 ILE 47 2HG1 ILE 47 5.901 -1.424 7.655 353 2HG1 ILE 47 1HG1 ILE 47 7.024 -2.775 7.777 354 1HG2 ILE 47 3HG2 ILE 47 8.164 1.300 7.926 355 2HG2 ILE 47 2HG2 ILE 47 6.582 0.723 8.449 356 3HG2 ILE 47 1HG2 ILE 47 7.971 0.583 9.526 357 1HD1 ILE 47 3HD1 ILE 47 7.409 -1.759 10.215 358 2HD1 ILE 47 2HD1 ILE 47 5.778 -1.147 9.947 359 3HD1 ILE 47 1HD1 ILE 47 6.090 -2.882 9.884 360 H MET 48 HN MET 48 10.625 -1.450 6.482 361 HA MET 48 HA MET 48 11.806 1.223 6.451 362 1HB MET 48 2HB MET 48 12.745 -0.902 7.589 363 2HB MET 48 1HB MET 48 13.297 -1.358 5.977 364 1HG MET 48 2HG MET 48 13.903 1.405 6.956 365 2HG MET 48 1HG MET 48 14.855 0.061 7.589 366 1HE MET 48 1HE MET 48 15.858 2.553 5.980 367 2HE MET 48 3HE MET 48 16.084 2.363 4.236 368 3HE MET 48 2HE MET 48 14.471 2.619 4.896 369 H GLY 49 HN GLY 49 11.152 -1.312 4.109 370 1HA GLY 49 2HA GLY 49 12.868 -0.335 2.018 371 2HA GLY 49 1HA GLY 49 11.477 -1.395 1.785 372 H VAL 50 HN VAL 50 9.472 0.314 2.861 373 HA VAL 50 HA VAL 50 8.854 1.923 0.580 374 HB VAL 50 HB VAL 50 7.725 2.133 3.390 375 1HG1 VAL 50 2HG1 VAL 50 6.988 3.282 0.732 376 2HG1 VAL 50 1HG1 VAL 50 5.677 2.765 1.791 377 3HG1 VAL 50 3HG1 VAL 50 6.827 3.985 2.340 378 1HG2 VAL 50 1HG2 VAL 50 7.723 -0.117 1.876 379 2HG2 VAL 50 3HG2 VAL 50 6.390 0.320 2.944 380 3HG2 VAL 50 2HG2 VAL 50 6.295 0.683 1.222 381 H VAL 51 HN VAL 51 10.568 2.615 3.564 382 HA VAL 51 HA VAL 51 10.442 5.496 3.362 383 HB VAL 51 HB VAL 51 12.577 3.822 4.715 384 1HG1 VAL 51 1HG1 VAL 51 11.705 6.693 4.820 385 2HG1 VAL 51 3HG1 VAL 51 12.384 5.945 6.266 386 3HG1 VAL 51 2HG1 VAL 51 13.337 6.026 4.783 387 1HG2 VAL 51 3HG2 VAL 51 9.733 4.338 5.378 388 2HG2 VAL 51 2HG2 VAL 51 10.788 3.024 5.894 389 3HG2 VAL 51 1HG2 VAL 51 10.872 4.589 6.701 390 H SER 52 HN SER 52 12.550 3.020 2.024 391 HA SER 52 HA SER 52 14.702 4.710 1.193 392 1HB SER 52 2HB SER 52 15.363 2.897 -0.229 393 2HB SER 52 1HB SER 52 14.662 2.164 1.211 394 HG SER 52 HG SER 52 13.552 1.161 -0.312 395 H LEU 53 HN LEU 53 11.662 3.783 -0.404 396 HA LEU 53 HA LEU 53 12.184 5.059 -2.910 397 1HB LEU 53 2HB LEU 53 9.718 4.179 -1.445 398 2HB LEU 53 1HB LEU 53 9.541 5.204 -2.870 399 HG LEU 53 HG LEU 53 10.931 3.586 -4.164 400 1HD1 LEU 53 1HD1 LEU 53 10.846 2.115 -1.524 401 2HD1 LEU 53 3HD1 LEU 53 11.147 1.279 -3.047 402 3HD1 LEU 53 2HD1 LEU 53 12.258 2.533 -2.494 403 1HD2 LEU 53 2HD2 LEU 53 8.305 3.471 -3.689 404 2HD2 LEU 53 1HD2 LEU 53 9.119 2.224 -4.633 405 3HD2 LEU 53 3HD2 LEU 53 8.757 1.945 -2.928 406 H GLY 54 HN GLY 54 10.949 6.261 0.166 407 1HA GLY 54 2HA GLY 54 10.625 8.456 0.926 408 2HA GLY 54 1HA GLY 54 11.659 8.972 -0.406 409 H ILE 55 HN ILE 55 8.412 7.476 -0.173 410 HA ILE 55 HA ILE 55 7.451 9.008 -2.457 411 HB ILE 55 HB ILE 55 5.835 7.436 -0.427 412 1HG1 ILE 55 2HG1 ILE 55 6.954 6.466 -3.071 413 2HG1 ILE 55 1HG1 ILE 55 7.735 6.152 -1.522 414 1HG2 ILE 55 3HG2 ILE 55 4.691 9.044 -2.067 415 2HG2 ILE 55 2HG2 ILE 55 5.241 7.961 -3.345 416 3HG2 ILE 55 1HG2 ILE 55 4.140 7.370 -2.100 417 1HD1 ILE 55 2HD1 ILE 55 5.641 5.070 -0.719 418 2HD1 ILE 55 1HD1 ILE 55 4.929 5.317 -2.314 419 3HD1 ILE 55 3HD1 ILE 55 6.321 4.250 -2.124 420 H ALA 56 HN ALA 56 5.967 10.728 -2.416 421 HA ALA 56 HA ALA 56 5.500 11.983 0.254 422 1HB ALA 56 1HB ALA 56 7.284 12.936 -1.614 423 2HB ALA 56 3HB ALA 56 5.828 13.855 -1.994 424 3HB ALA 56 2HB ALA 56 6.510 13.918 -0.368 425 H LYS 57 HN LYS 57 3.989 14.138 -0.563 426 HA LYS 57 HA LYS 57 1.472 12.843 -1.278 427 1HB LYS 57 2HB LYS 57 0.539 15.152 -1.043 428 2HB LYS 57 1HB LYS 57 1.454 14.637 0.373 429 1HG LYS 57 2HG LYS 57 3.320 15.979 -0.202 430 2HG LYS 57 1HG LYS 57 2.756 16.197 -1.860 431 1HD LYS 57 2HD LYS 57 1.056 17.159 0.422 432 2HD LYS 57 1HD LYS 57 2.420 18.136 -0.121 433 1HE LYS 57 2HE LYS 57 1.279 17.519 -2.513 434 2HE LYS 57 1HE LYS 57 -0.148 17.560 -1.479 435 1HZ LYS 57 3HZ LYS 57 0.915 19.742 -0.626 436 2HZ LYS 57 2HZ LYS 57 1.759 19.708 -2.099 437 3HZ LYS 57 1HZ LYS 57 0.061 19.747 -2.091 438 H GLY 58 HN GLY 58 0.219 13.308 -3.159 439 1HA GLY 58 2HA GLY 58 -0.170 14.037 -5.377 440 2HA GLY 58 1HA GLY 58 1.315 14.988 -5.289 441 H ALA 59 HN ALA 59 0.561 11.495 -5.016 442 HA ALA 59 HA ALA 59 2.377 10.982 -7.310 443 1HB ALA 59 1HB ALA 59 2.720 9.963 -4.495 444 2HB ALA 59 3HB ALA 59 3.299 9.015 -5.864 445 3HB ALA 59 2HB ALA 59 3.935 10.635 -5.583 446 H GLU 60 HN GLU 60 2.311 8.398 -7.632 447 HA GLU 60 HA GLU 60 -0.500 7.478 -7.213 448 1HB GLU 60 2HB GLU 60 1.114 7.388 -9.779 449 2HB GLU 60 1HB GLU 60 -0.391 6.500 -9.534 450 1HG GLU 60 2HG GLU 60 -1.248 8.915 -8.771 451 2HG GLU 60 1HG GLU 60 0.049 9.436 -9.848 452 H ILE 61 HN ILE 61 -0.645 5.344 -6.592 453 HA ILE 61 HA ILE 61 1.868 3.721 -6.698 454 HB ILE 61 HB ILE 61 1.104 2.686 -4.548 455 1HG1 ILE 61 2HG1 ILE 61 -0.889 4.976 -4.542 456 2HG1 ILE 61 1HG1 ILE 61 -1.312 3.294 -4.865 457 1HG2 ILE 61 2HG2 ILE 61 1.804 5.579 -4.841 458 2HG2 ILE 61 1HG2 ILE 61 1.390 4.982 -3.235 459 3HG2 ILE 61 3HG2 ILE 61 2.737 4.268 -4.120 460 1HD1 ILE 61 3HD1 ILE 61 -0.024 2.881 -2.583 461 2HD1 ILE 61 2HD1 ILE 61 -0.442 4.571 -2.300 462 3HD1 ILE 61 1HD1 ILE 61 -1.715 3.383 -2.584 463 H THR 62 HN THR 62 1.438 1.349 -6.654 464 HA THR 62 HA THR 62 -1.258 0.604 -7.687 465 HB THR 62 HB THR 62 1.331 -0.400 -8.902 466 HG1 THR 62 HG1 THR 62 1.326 1.542 -9.730 467 1HG2 THR 62 2HG2 THR 62 -1.595 -0.796 -9.399 468 2HG2 THR 62 1HG2 THR 62 -0.490 -0.844 -10.771 469 3HG2 THR 62 3HG2 THR 62 -0.284 -1.975 -9.434 470 H ILE 63 HN ILE 63 -1.635 -1.774 -7.492 471 HA ILE 63 HA ILE 63 0.200 -3.198 -5.658 472 HB ILE 63 HB ILE 63 -2.745 -2.802 -5.053 473 1HG1 ILE 63 2HG1 ILE 63 -0.236 -1.607 -3.830 474 2HG1 ILE 63 1HG1 ILE 63 -1.506 -0.735 -4.676 475 1HG2 ILE 63 1HG2 ILE 63 -0.491 -4.253 -3.630 476 2HG2 ILE 63 3HG2 ILE 63 -2.040 -3.884 -2.869 477 3HG2 ILE 63 2HG2 ILE 63 -1.978 -4.954 -4.270 478 1HD1 ILE 63 1HD1 ILE 63 -2.883 -2.103 -2.681 479 2HD1 ILE 63 3HD1 ILE 63 -1.396 -1.588 -1.886 480 3HD1 ILE 63 2HD1 ILE 63 -2.444 -0.395 -2.651 481 H SER 64 HN SER 64 -0.093 -5.486 -5.710 482 HA SER 64 HA SER 64 -2.167 -6.600 -7.492 483 1HB SER 64 2HB SER 64 -0.244 -7.921 -8.661 484 2HB SER 64 1HB SER 64 -0.569 -6.269 -9.180 485 HG SER 64 HG SER 64 1.622 -7.332 -7.944 486 H ALA 65 HN ALA 65 -2.989 -8.074 -6.067 487 HA ALA 65 HA ALA 65 -1.189 -9.562 -4.251 488 1HB ALA 65 2HB ALA 65 -3.519 -8.595 -3.640 489 2HB ALA 65 1HB ALA 65 -4.166 -9.978 -4.522 490 3HB ALA 65 3HB ALA 65 -3.145 -10.234 -3.108 491 H SER 66 HN SER 66 -0.507 -11.626 -4.688 492 HA SER 66 HA SER 66 -1.968 -13.183 -6.777 493 1HB SER 66 2HB SER 66 0.658 -12.068 -7.006 494 2HB SER 66 1HB SER 66 0.816 -13.820 -6.929 495 HG SER 66 HG SER 66 0.262 -13.694 -8.958 496 H GLY 67 HN GLY 67 -2.832 -14.742 -5.439 497 1HA GLY 67 2HA GLY 67 -1.248 -16.891 -4.511 498 2HA GLY 67 1HA GLY 67 -1.541 -15.836 -3.129 499 H ALA 68 HN ALA 68 -2.987 -17.141 -2.003 500 HA ALA 68 HA ALA 68 -5.288 -18.346 -3.377 501 1HB ALA 68 2HB ALA 68 -4.281 -18.314 -0.538 502 2HB ALA 68 1HB ALA 68 -5.899 -18.907 -0.910 503 3HB ALA 68 3HB ALA 68 -4.488 -19.691 -1.618 504 H ASP 69 HN ASP 69 -4.931 -16.033 -0.661 505 HA ASP 69 HA ASP 69 -7.660 -15.017 -1.246 506 1HB ASP 69 2HB ASP 69 -7.343 -13.763 0.916 507 2HB ASP 69 1HB ASP 69 -7.246 -15.515 1.089 508 H GLU 70 HN GLU 70 -5.903 -14.352 -3.237 509 HA GLU 70 HA GLU 70 -4.514 -11.866 -2.842 510 1HB GLU 70 2HB GLU 70 -4.599 -11.730 -5.355 511 2HB GLU 70 1HB GLU 70 -3.953 -13.251 -4.745 512 1HG GLU 70 2HG GLU 70 -5.963 -14.422 -5.218 513 2HG GLU 70 1HG GLU 70 -6.880 -12.928 -5.413 514 H ASN 71 HN ASN 71 -7.851 -12.668 -3.575 515 HA ASN 71 HA ASN 71 -8.583 -9.962 -4.382 516 1HB ASN 71 2HB ASN 71 -10.241 -12.372 -3.581 517 2HB ASN 71 1HB ASN 71 -10.927 -10.854 -4.161 518 1HD2 ASN 71 2HD2 ASN 71 -9.753 -11.340 -7.535 519 2HD2 ASN 71 1HD2 ASN 71 -10.099 -10.129 -6.396 520 H ASP 72 HN ASP 72 -8.693 -11.861 -1.398 521 HA ASP 72 HA ASP 72 -10.175 -9.846 0.090 522 1HB ASP 72 2HB ASP 72 -8.482 -12.139 1.120 523 2HB ASP 72 1HB ASP 72 -9.677 -11.230 2.044 524 H ALA 73 HN ALA 73 -6.832 -10.312 -0.738 525 HA ALA 73 HA ALA 73 -5.805 -8.705 1.478 526 1HB ALA 73 2HB ALA 73 -4.550 -9.796 -1.047 527 2HB ALA 73 1HB ALA 73 -3.669 -8.787 0.100 528 3HB ALA 73 3HB ALA 73 -4.305 -10.351 0.610 529 H LEU 74 HN LEU 74 -6.347 -8.191 -2.024 530 HA LEU 74 HA LEU 74 -5.313 -5.524 -2.049 531 1HB LEU 74 2HB LEU 74 -6.426 -5.281 -4.210 532 2HB LEU 74 1HB LEU 74 -5.655 -6.859 -4.103 533 HG LEU 74 HG LEU 74 -8.046 -7.584 -3.195 534 1HD1 LEU 74 3HD1 LEU 74 -8.540 -4.910 -3.782 535 2HD1 LEU 74 2HD1 LEU 74 -9.145 -5.748 -5.212 536 3HD1 LEU 74 1HD1 LEU 74 -9.770 -6.163 -3.616 537 1HD2 LEU 74 2HD2 LEU 74 -6.899 -8.473 -5.196 538 2HD2 LEU 74 1HD2 LEU 74 -8.618 -8.225 -5.505 539 3HD2 LEU 74 3HD2 LEU 74 -7.435 -7.071 -6.122 540 H ASN 75 HN ASN 75 -8.626 -6.748 -1.560 541 HA ASN 75 HA ASN 75 -9.693 -4.045 -1.273 542 1HB ASN 75 2HB ASN 75 -11.770 -5.259 -0.482 543 2HB ASN 75 1HB ASN 75 -11.228 -5.690 -2.101 544 1HD2 ASN 75 2HD2 ASN 75 -11.719 -8.999 -0.801 545 2HD2 ASN 75 1HD2 ASN 75 -12.488 -7.755 -1.659 546 H ALA 76 HN ALA 76 -8.151 -6.339 0.812 547 HA ALA 76 HA ALA 76 -9.277 -5.456 3.311 548 1HB ALA 76 2HB ALA 76 -6.701 -6.845 2.552 549 2HB ALA 76 1HB ALA 76 -7.058 -6.403 4.222 550 3HB ALA 76 3HB ALA 76 -8.110 -7.529 3.362 551 H LEU 77 HN LEU 77 -6.175 -4.691 1.687 552 HA LEU 77 HA LEU 77 -5.479 -2.577 3.502 553 1HB LEU 77 2HB LEU 77 -4.606 -2.886 0.620 554 2HB LEU 77 1HB LEU 77 -3.767 -1.998 1.891 555 HG LEU 77 HG LEU 77 -4.271 -4.712 2.774 556 1HD1 LEU 77 1HD1 LEU 77 -4.111 -4.808 0.114 557 2HD1 LEU 77 3HD1 LEU 77 -2.386 -4.713 0.464 558 3HD1 LEU 77 2HD1 LEU 77 -3.350 -6.031 1.131 559 1HD2 LEU 77 3HD2 LEU 77 -1.751 -3.141 2.148 560 2HD2 LEU 77 2HD2 LEU 77 -2.550 -3.263 3.715 561 3HD2 LEU 77 1HD2 LEU 77 -1.783 -4.683 3.003 562 H GLU 78 HN GLU 78 -7.413 -2.701 0.554 563 HA GLU 78 HA GLU 78 -7.487 0.076 -0.057 564 1HB GLU 78 2HB GLU 78 -8.389 -1.705 -1.532 565 2HB GLU 78 1HB GLU 78 -9.703 -1.971 -0.390 566 1HG GLU 78 2HG GLU 78 -9.482 0.851 -1.071 567 2HG GLU 78 1HG GLU 78 -9.672 -0.133 -2.520 568 H GLU 79 HN GLU 79 -9.783 -1.818 1.962 569 HA GLU 79 HA GLU 79 -11.356 0.425 2.763 570 1HB GLU 79 2HB GLU 79 -12.071 -1.054 4.656 571 2HB GLU 79 1HB GLU 79 -12.175 -1.839 3.080 572 1HG GLU 79 2HG GLU 79 -10.201 -3.102 3.455 573 2HG GLU 79 1HG GLU 79 -9.733 -2.108 4.836 574 H THR 80 HN THR 80 -8.292 -0.834 3.940 575 HA THR 80 HA THR 80 -8.261 0.618 6.436 576 HB THR 80 HB THR 80 -5.916 -0.290 4.730 577 HG1 THR 80 HG1 THR 80 -7.480 -1.917 5.412 578 1HG2 THR 80 1HG2 THR 80 -6.209 0.831 7.483 579 2HG2 THR 80 3HG2 THR 80 -5.015 -0.442 7.237 580 3HG2 THR 80 2HG2 THR 80 -4.910 1.055 6.312 581 H MET 81 HN MET 81 -7.397 1.388 3.117 582 HA MET 81 HA MET 81 -6.040 3.870 3.659 583 1HB MET 81 2HB MET 81 -7.456 2.781 1.211 584 2HB MET 81 1HB MET 81 -6.636 4.340 1.220 585 1HG MET 81 2HG MET 81 -4.722 2.697 2.323 586 2HG MET 81 1HG MET 81 -5.502 1.617 1.170 587 1HE MET 81 3HE MET 81 -3.051 1.631 0.793 588 2HE MET 81 2HE MET 81 -2.464 2.325 -0.717 589 3HE MET 81 1HE MET 81 -2.166 3.164 0.804 590 H LYS 82 HN LYS 82 -9.406 2.937 3.329 591 HA LYS 82 HA LYS 82 -10.355 5.710 3.172 592 1HB LYS 82 2HB LYS 82 -11.584 2.989 3.123 593 2HB LYS 82 1HB LYS 82 -12.602 4.337 3.641 594 1HG LYS 82 2HG LYS 82 -12.372 5.464 1.586 595 2HG LYS 82 1HG LYS 82 -10.935 4.545 1.139 596 1HD LYS 82 2HD LYS 82 -13.198 2.768 1.586 597 2HD LYS 82 1HD LYS 82 -13.590 3.993 0.382 598 1HE LYS 82 2HE LYS 82 -11.006 2.433 0.271 599 2HE LYS 82 1HE LYS 82 -12.487 1.834 -0.478 600 1HZ LYS 82 3HZ LYS 82 -12.559 4.182 -1.516 601 2HZ LYS 82 2HZ LYS 82 -10.900 4.219 -1.150 602 3HZ LYS 82 1HZ LYS 82 -11.519 3.017 -2.178 603 H SER 83 HN SER 83 -9.708 3.347 5.659 604 HA SER 83 HA SER 83 -11.424 4.526 7.679 605 1HB SER 83 2HB SER 83 -10.004 3.151 9.252 606 2HB SER 83 1HB SER 83 -10.747 2.225 7.951 607 HG SER 83 HG SER 83 -8.334 2.053 8.470 608 H GLU 84 HN GLU 84 -7.866 4.570 7.225 609 HA GLU 84 HA GLU 84 -7.618 6.792 9.135 610 1HB GLU 84 2HB GLU 84 -5.517 5.504 7.365 611 2HB GLU 84 1HB GLU 84 -5.214 6.582 8.730 612 1HG GLU 84 2HG GLU 84 -6.643 4.820 10.065 613 2HG GLU 84 1HG GLU 84 -6.195 3.744 8.741 614 H GLY 85 HN GLY 85 -7.708 6.319 5.662 615 1HA GLY 85 2HA GLY 85 -8.101 7.993 4.021 616 2HA GLY 85 1HA GLY 85 -7.892 9.224 5.267 617 H LEU 86 HN LEU 86 -5.959 6.734 3.572 618 HA LEU 86 HA LEU 86 -3.617 8.577 3.738 619 1HB LEU 86 2HB LEU 86 -3.793 5.590 3.265 620 2HB LEU 86 1HB LEU 86 -2.294 6.516 3.173 621 HG LEU 86 HG LEU 86 -4.101 6.450 5.606 622 1HD1 LEU 86 1HD1 LEU 86 -2.929 4.258 4.955 623 2HD1 LEU 86 3HD1 LEU 86 -1.419 5.097 5.301 624 3HD1 LEU 86 2HD1 LEU 86 -2.615 4.872 6.577 625 1HD2 LEU 86 1HD2 LEU 86 -1.562 7.826 4.849 626 2HD2 LEU 86 3HD2 LEU 86 -2.870 8.380 5.896 627 3HD2 LEU 86 2HD2 LEU 86 -1.685 7.221 6.502 628 H GLY 87 HN GLY 87 -5.546 6.611 1.504 629 1HA GLY 87 2HA GLY 87 -4.901 8.397 -0.707 630 2HA GLY 87 1HA GLY 87 -4.151 6.808 -0.873 631 H GLU 88 HN GLU 88 -6.166 7.832 -2.642 632 HA GLU 88 HA GLU 88 -8.191 5.696 -2.297 633 1HB GLU 88 2HB GLU 88 -10.013 7.320 -2.879 634 2HB GLU 88 1HB GLU 88 -9.285 7.626 -1.302 635 1HG GLU 88 2HG GLU 88 -7.736 9.273 -2.492 636 2HG GLU 88 1HG GLU 88 -8.798 9.113 -3.890 No H/Q in entry = 636 Start of MODEL 22 1 1H ALA 2 1HT ALA 2 -5.133 -10.309 -9.173 2 2H ALA 2 3HT ALA 2 -6.666 -10.806 -9.702 3 3H ALA 2 2HT ALA 2 -6.032 -9.318 -10.220 4 HA ALA 2 HA ALA 2 -7.697 -8.961 -8.521 5 1HB ALA 2 1HB ALA 2 -5.850 -10.691 -6.848 6 2HB ALA 2 3HB ALA 2 -7.255 -9.819 -6.236 7 3HB ALA 2 2HB ALA 2 -7.468 -11.132 -7.393 8 H GLN 3 HN GLN 3 -5.754 -7.430 -9.683 9 HA GLN 3 HA GLN 3 -4.142 -6.266 -7.466 10 1HB GLN 3 2HB GLN 3 -3.063 -4.949 -9.317 11 2HB GLN 3 1HB GLN 3 -2.878 -6.693 -9.493 12 1HG GLN 3 2HG GLN 3 -4.494 -6.814 -11.207 13 2HG GLN 3 1HG GLN 3 -5.180 -5.242 -10.792 14 1HE2 GLN 3 2HE2 GLN 3 -3.198 -3.730 -13.273 15 2HE2 GLN 3 1HE2 GLN 3 -4.723 -3.883 -12.541 16 H LYS 4 HN LYS 4 -4.210 -3.921 -7.148 17 HA LYS 4 HA LYS 4 -6.545 -2.515 -8.314 18 1HB LYS 4 2HB LYS 4 -6.280 -3.369 -5.475 19 2HB LYS 4 1HB LYS 4 -6.874 -1.732 -5.754 20 1HG LYS 4 2HG LYS 4 -8.362 -3.042 -7.579 21 2HG LYS 4 1HG LYS 4 -8.142 -4.344 -6.408 22 1HD LYS 4 2HD LYS 4 -10.047 -3.308 -5.562 23 2HD LYS 4 1HD LYS 4 -8.783 -2.467 -4.663 24 1HE LYS 4 2HE LYS 4 -9.947 -0.637 -5.453 25 2HE LYS 4 1HE LYS 4 -8.843 -0.873 -6.805 26 1HZ LYS 4 2HZ LYS 4 -10.698 -2.456 -7.636 27 2HZ LYS 4 1HZ LYS 4 -11.693 -1.554 -6.594 28 3HZ LYS 4 3HZ LYS 4 -10.863 -0.779 -7.855 29 H THR 5 HN THR 5 -6.145 -0.342 -8.566 30 HA THR 5 HA THR 5 -3.442 0.605 -7.843 31 HB THR 5 HB THR 5 -5.581 2.132 -9.344 32 HG1 THR 5 HG1 THR 5 -5.335 0.313 -10.516 33 1HG2 THR 5 2HG2 THR 5 -2.652 2.393 -8.847 34 2HG2 THR 5 1HG2 THR 5 -3.255 2.874 -10.433 35 3HG2 THR 5 3HG2 THR 5 -3.885 3.647 -8.978 36 H PHE 6 HN PHE 6 -3.188 2.734 -6.787 37 HA PHE 6 HA PHE 6 -5.520 3.667 -5.213 38 1HB PHE 6 2HB PHE 6 -2.916 2.661 -4.040 39 2HB PHE 6 1HB PHE 6 -4.054 3.665 -3.141 40 HD1 PHE 6 2HD PHE 6 -6.267 2.820 -2.512 41 HD2 PHE 6 1HD PHE 6 -3.464 0.359 -4.642 42 HE1 PHE 6 2HE PHE 6 -7.618 0.814 -1.974 43 HE2 PHE 6 1HE PHE 6 -4.818 -1.648 -4.103 44 HZ PHE 6 HZ PHE 6 -6.897 -1.420 -2.768 45 H LYS 7 HN LYS 7 -5.387 5.860 -4.697 46 HA LYS 7 HA LYS 7 -3.115 7.324 -5.950 47 1HB LYS 7 2HB LYS 7 -5.989 7.879 -5.499 48 2HB LYS 7 1HB LYS 7 -4.918 9.255 -5.232 49 1HG LYS 7 2HG LYS 7 -4.394 7.639 -7.671 50 2HG LYS 7 1HG LYS 7 -5.873 8.599 -7.674 51 1HD LYS 7 2HD LYS 7 -4.162 10.439 -6.690 52 2HD LYS 7 1HD LYS 7 -3.036 9.491 -7.662 53 1HE LYS 7 2HE LYS 7 -3.982 10.144 -9.634 54 2HE LYS 7 1HE LYS 7 -5.617 10.127 -8.972 55 1HZ LYS 7 2HZ LYS 7 -3.610 12.186 -8.255 56 2HZ LYS 7 1HZ LYS 7 -4.699 12.371 -9.546 57 3HZ LYS 7 3HZ LYS 7 -5.283 12.213 -7.961 58 H VAL 8 HN VAL 8 -1.625 8.289 -4.657 59 HA VAL 8 HA VAL 8 -1.982 8.172 -1.737 60 HB VAL 8 HB VAL 8 0.355 9.301 -3.302 61 1HG1 VAL 8 2HG1 VAL 8 -0.155 9.544 -0.663 62 2HG1 VAL 8 1HG1 VAL 8 0.629 7.964 -0.658 63 3HG1 VAL 8 3HG1 VAL 8 1.479 9.369 -1.302 64 1HG2 VAL 8 1HG2 VAL 8 -0.446 6.489 -2.633 65 2HG2 VAL 8 3HG2 VAL 8 0.354 7.108 -4.079 66 3HG2 VAL 8 2HG2 VAL 8 1.265 6.910 -2.582 67 H THR 9 HN THR 9 -2.455 9.913 -0.456 68 HA THR 9 HA THR 9 -2.142 12.657 -1.512 69 HB THR 9 HB THR 9 -4.819 11.789 -0.410 70 HG1 THR 9 HG1 THR 9 -4.668 10.652 -2.264 71 1HG2 THR 9 3HG2 THR 9 -3.662 14.223 -1.725 72 2HG2 THR 9 2HG2 THR 9 -5.379 13.872 -1.926 73 3HG2 THR 9 1HG2 THR 9 -4.710 14.110 -0.311 74 H ALA 10 HN ALA 10 -1.047 10.946 0.713 75 HA ALA 10 HA ALA 10 -2.155 12.023 3.176 76 1HB ALA 10 1HB ALA 10 -1.059 9.811 3.122 77 2HB ALA 10 3HB ALA 10 0.462 10.578 2.661 78 3HB ALA 10 2HB ALA 10 -0.239 10.893 4.248 79 H ASP 11 HN ASP 11 -1.214 13.635 4.495 80 HA ASP 11 HA ASP 11 0.100 15.794 3.140 81 1HB ASP 11 2HB ASP 11 -0.684 15.168 5.942 82 2HB ASP 11 1HB ASP 11 0.588 16.372 5.732 83 H SER 12 HN SER 12 1.352 13.663 5.740 84 HA SER 12 HA SER 12 4.089 14.495 5.342 85 1HB SER 12 2HB SER 12 4.652 12.813 6.945 86 2HB SER 12 1HB SER 12 3.086 13.441 7.447 87 HG SER 12 HG SER 12 2.824 11.280 7.449 88 H GLY 13 HN GLY 13 2.077 11.933 4.025 89 1HA GLY 13 2HA GLY 13 2.641 11.083 1.770 90 2HA GLY 13 1HA GLY 13 4.343 11.180 2.226 91 H ILE 14 HN ILE 14 4.597 8.911 1.725 92 HA ILE 14 HA ILE 14 3.195 7.043 3.583 93 HB ILE 14 HB ILE 14 4.866 6.364 1.149 94 1HG1 ILE 14 2HG1 ILE 14 2.914 7.726 0.491 95 2HG1 ILE 14 1HG1 ILE 14 2.710 6.055 -0.027 96 1HG2 ILE 14 3HG2 ILE 14 4.512 4.602 2.917 97 2HG2 ILE 14 2HG2 ILE 14 2.778 4.737 2.622 98 3HG2 ILE 14 1HG2 ILE 14 3.850 4.180 1.337 99 1HD1 ILE 14 3HD1 ILE 14 1.608 6.086 2.533 100 2HD1 ILE 14 2HD1 ILE 14 1.099 7.625 1.838 101 3HD1 ILE 14 1HD1 ILE 14 0.707 6.115 1.018 102 1HN HIP 15 HN HIP 15 4.567 7.598 5.393 103 HA HIP 15 HA HIP 15 7.413 6.843 5.100 104 1HB HIP 15 1HB HIP 15 7.043 9.037 6.074 105 2HB HIP 15 2HB HIP 15 7.756 7.979 7.269 106 HD2 HIP 15 2HD HIP 15 4.049 9.151 6.446 107 HE2 HIP 15 2HE HIP 15 2.891 9.426 8.757 108 HE1 HIP 15 1HE HIP 15 4.478 8.774 10.617 109 H ALA 16 HN ALA 16 7.948 6.097 7.768 110 HA ALA 16 HA ALA 16 7.355 3.337 7.673 111 1HB ALA 16 2HB ALA 16 9.084 4.854 9.090 112 2HB ALA 16 1HB ALA 16 7.917 4.453 10.350 113 3HB ALA 16 3HB ALA 16 8.732 3.166 9.461 114 H ARG 17 HN ARG 17 5.660 5.866 9.589 115 HA ARG 17 HA ARG 17 4.115 4.076 11.157 116 1HB ARG 17 2HB ARG 17 4.292 6.801 10.990 117 2HB ARG 17 1HB ARG 17 2.676 6.515 10.348 118 1HG ARG 17 2HG ARG 17 2.191 5.095 12.353 119 2HG ARG 17 1HG ARG 17 3.758 5.567 13.012 120 1HD ARG 17 2HD ARG 17 2.415 7.180 13.990 121 2HD ARG 17 1HD ARG 17 2.852 8.012 12.498 122 HE ARG 17 HE ARG 17 0.638 7.271 11.584 123 1HH1 ARG 17 HH11 ARG 17 -0.031 5.239 13.668 124 2HH1 ARG 17 HH12 ARG 17 -1.137 6.102 14.683 125 1HH2 ARG 17 HH21 ARG 17 -0.244 9.219 13.455 126 2HH2 ARG 17 HH22 ARG 17 -1.258 8.356 14.562 127 HA PRO 18 HA PRO 18 0.648 4.154 7.871 128 1HB PRO 18 2HB PRO 18 1.271 5.091 5.355 129 2HB PRO 18 1HB PRO 18 0.531 6.081 6.625 130 1HG PRO 18 2HG PRO 18 3.370 6.042 5.679 131 2HG PRO 18 1HG PRO 18 2.423 7.391 6.331 132 1HD PRO 18 2HD PRO 18 4.321 5.963 7.778 133 2HD PRO 18 1HD PRO 18 3.013 6.909 8.501 134 H ALA 19 HN ALA 19 3.973 3.493 7.048 135 HA ALA 19 HA ALA 19 3.380 1.408 5.093 136 1HB ALA 19 3HB ALA 19 5.891 2.173 6.606 137 2HB ALA 19 2HB ALA 19 5.831 0.851 5.441 138 3HB ALA 19 1HB ALA 19 5.518 2.504 4.915 139 H THR 20 HN THR 20 3.600 1.632 8.563 140 HA THR 20 HA THR 20 4.012 -1.227 8.990 141 HB THR 20 HB THR 20 2.990 0.761 11.021 142 HG1 THR 20 HG1 THR 20 4.877 1.664 11.053 143 1HG2 THR 20 1HG2 THR 20 3.032 -1.649 11.609 144 2HG2 THR 20 3HG2 THR 20 4.756 -1.691 11.239 145 3HG2 THR 20 2HG2 THR 20 4.165 -0.712 12.583 146 H VAL 21 HN VAL 21 1.327 1.012 8.716 147 HA VAL 21 HA VAL 21 -0.705 -0.727 9.815 148 HB VAL 21 HB VAL 21 -1.096 1.412 7.729 149 1HG1 VAL 21 1HG1 VAL 21 -2.995 -0.141 8.361 150 2HG1 VAL 21 3HG1 VAL 21 -2.900 0.526 9.991 151 3HG1 VAL 21 2HG1 VAL 21 -3.319 1.571 8.634 152 1HG2 VAL 21 1HG2 VAL 21 -0.509 1.611 10.668 153 2HG2 VAL 21 3HG2 VAL 21 0.050 2.642 9.350 154 3HG2 VAL 21 2HG2 VAL 21 -1.607 2.780 9.936 155 H LEU 22 HN LEU 22 0.534 -0.068 6.591 156 HA LEU 22 HA LEU 22 -1.302 -1.767 5.179 157 1HB LEU 22 2HB LEU 22 1.441 -0.703 4.474 158 2HB LEU 22 1HB LEU 22 0.372 -1.521 3.333 159 HG LEU 22 HG LEU 22 -0.368 0.974 4.895 160 1HD1 LEU 22 3HD1 LEU 22 0.947 0.520 2.251 161 2HD1 LEU 22 2HD1 LEU 22 -0.295 1.773 2.323 162 3HD1 LEU 22 1HD1 LEU 22 1.117 1.871 3.375 163 1HD2 LEU 22 1HD2 LEU 22 -1.722 -0.672 2.740 164 2HD2 LEU 22 3HD2 LEU 22 -2.355 -0.221 4.324 165 3HD2 LEU 22 2HD2 LEU 22 -2.181 1.001 3.064 166 H VAL 23 HN VAL 23 2.129 -2.252 6.126 167 HA VAL 23 HA VAL 23 2.363 -4.912 5.172 168 HB VAL 23 HB VAL 23 4.294 -3.548 5.918 169 1HG1 VAL 23 1HG1 VAL 23 3.027 -2.652 7.955 170 2HG1 VAL 23 3HG1 VAL 23 3.439 -4.172 8.749 171 3HG1 VAL 23 2HG1 VAL 23 4.718 -3.084 8.212 172 1HG2 VAL 23 2HG2 VAL 23 4.072 -6.217 6.060 173 2HG2 VAL 23 1HG2 VAL 23 5.536 -5.378 6.571 174 3HG2 VAL 23 3HG2 VAL 23 4.348 -5.890 7.770 175 H GLN 24 HN GLN 24 0.849 -3.662 8.070 176 HA GLN 24 HA GLN 24 0.694 -6.162 9.507 177 1HB GLN 24 2HB GLN 24 -0.668 -3.494 9.690 178 2HB GLN 24 1HB GLN 24 -1.341 -4.857 10.581 179 1HG GLN 24 2HG GLN 24 1.506 -4.838 10.966 180 2HG GLN 24 1HG GLN 24 0.888 -3.221 11.295 181 1HE2 GLN 24 2HE2 GLN 24 -0.644 -4.162 14.327 182 2HE2 GLN 24 1HE2 GLN 24 -0.245 -2.909 13.254 183 H THR 25 HN THR 25 -1.399 -4.531 7.162 184 HA THR 25 HA THR 25 -3.597 -6.400 7.433 185 HB THR 25 HB THR 25 -3.161 -4.863 4.908 186 HG1 THR 25 HG1 THR 25 -3.776 -3.716 7.426 187 1HG2 THR 25 1HG2 THR 25 -5.231 -6.265 5.654 188 2HG2 THR 25 3HG2 THR 25 -5.587 -4.881 6.686 189 3HG2 THR 25 2HG2 THR 25 -5.497 -4.677 4.937 190 H ALA 26 HN ALA 26 -1.302 -5.886 4.726 191 HA ALA 26 HA ALA 26 -1.972 -8.242 3.301 192 1HB ALA 26 3HB ALA 26 0.486 -6.505 3.393 193 2HB ALA 26 2HB ALA 26 0.460 -7.969 2.410 194 3HB ALA 26 1HB ALA 26 -0.699 -6.677 2.099 195 H SER 27 HN SER 27 0.028 -7.808 6.136 196 HA SER 27 HA SER 27 1.620 -10.166 5.964 197 1HB SER 27 2HB SER 27 2.179 -8.573 7.654 198 2HB SER 27 1HB SER 27 0.548 -8.597 8.318 199 HG SER 27 HG SER 27 2.466 -10.693 8.334 200 H LYS 28 HN LYS 28 -1.661 -9.628 7.193 201 HA LYS 28 HA LYS 28 -2.017 -12.329 8.171 202 1HB LYS 28 2HB LYS 28 -3.772 -9.957 7.690 203 2HB LYS 28 1HB LYS 28 -4.544 -11.537 7.840 204 1HG LYS 28 2HG LYS 28 -4.480 -10.948 10.071 205 2HG LYS 28 1HG LYS 28 -2.903 -11.725 9.939 206 1HD LYS 28 2HD LYS 28 -2.114 -9.305 9.227 207 2HD LYS 28 1HD LYS 28 -3.567 -8.806 10.095 208 1HE LYS 28 2HE LYS 28 -1.295 -10.479 11.206 209 2HE LYS 28 1HE LYS 28 -1.677 -8.812 11.638 210 1HZ LYS 28 3HZ LYS 28 -3.845 -9.584 12.437 211 2HZ LYS 28 2HZ LYS 28 -3.405 -11.187 12.085 212 3HZ LYS 28 1HZ LYS 28 -2.564 -10.314 13.277 213 H TYR 29 HN TYR 29 -2.272 -10.824 5.029 214 HA TYR 29 HA TYR 29 -3.854 -13.060 3.928 215 1HB TYR 29 2HB TYR 29 -2.657 -10.583 2.644 216 2HB TYR 29 1HB TYR 29 -3.582 -11.804 1.766 217 HD1 TYR 29 2HD TYR 29 -5.947 -12.346 2.556 218 HD2 TYR 29 1HD TYR 29 -3.770 -8.890 3.884 219 HE1 TYR 29 2HE TYR 29 -8.066 -11.296 3.296 220 HE2 TYR 29 1HE TYR 29 -5.892 -7.841 4.625 221 HH TYR 29 HH TYR 29 -8.672 -9.466 5.114 222 H ASP 30 HN ASP 30 -2.941 -14.826 3.038 223 HA ASP 30 HA ASP 30 -0.073 -15.189 3.033 224 1HB ASP 30 2HB ASP 30 -2.364 -16.836 1.934 225 2HB ASP 30 1HB ASP 30 -0.679 -17.347 1.822 226 H ALA 31 HN ALA 31 -2.368 -14.037 0.673 227 HA ALA 31 HA ALA 31 -0.976 -14.638 -1.731 228 1HB ALA 31 3HB ALA 31 -3.321 -13.446 -1.224 229 2HB ALA 31 2HB ALA 31 -2.347 -11.999 -1.486 230 3HB ALA 31 1HB ALA 31 -2.476 -13.216 -2.755 231 H ASP 32 HN ASP 32 0.626 -13.508 -2.872 232 HA ASP 32 HA ASP 32 2.343 -11.769 -1.217 233 1HB ASP 32 2HB ASP 32 2.733 -12.929 -3.994 234 2HB ASP 32 1HB ASP 32 3.943 -11.997 -3.111 235 H VAL 33 HN VAL 33 1.229 -9.789 -1.168 236 HA VAL 33 HA VAL 33 0.446 -8.533 -3.726 237 HB VAL 33 HB VAL 33 -0.537 -6.775 -2.340 238 1HG1 VAL 33 2HG1 VAL 33 -1.344 -9.434 -2.367 239 2HG1 VAL 33 1HG1 VAL 33 -1.381 -9.030 -0.650 240 3HG1 VAL 33 3HG1 VAL 33 -2.314 -8.074 -1.804 241 1HG2 VAL 33 3HG2 VAL 33 0.797 -8.227 -0.031 242 2HG2 VAL 33 2HG2 VAL 33 1.185 -6.608 -0.610 243 3HG2 VAL 33 1HG2 VAL 33 -0.374 -6.923 0.147 244 H ASN 34 HN ASN 34 1.771 -7.138 -4.797 245 HA ASN 34 HA ASN 34 4.148 -6.082 -3.311 246 1HB ASN 34 2HB ASN 34 3.905 -6.826 -6.240 247 2HB ASN 34 1HB ASN 34 5.339 -6.136 -5.481 248 1HD2 ASN 34 2HD2 ASN 34 6.468 -9.356 -4.642 249 2HD2 ASN 34 1HD2 ASN 34 6.832 -7.810 -5.238 250 H LEU 35 HN LEU 35 4.272 -3.915 -3.184 251 HA LEU 35 HA LEU 35 2.402 -2.248 -4.759 252 1HB LEU 35 2HB LEU 35 3.023 -2.028 -2.200 253 2HB LEU 35 1HB LEU 35 4.417 -1.145 -2.821 254 HG LEU 35 HG LEU 35 1.770 -0.418 -3.968 255 1HD1 LEU 35 1HD1 LEU 35 2.484 -0.165 -1.082 256 2HD1 LEU 35 3HD1 LEU 35 1.736 1.234 -1.853 257 3HD1 LEU 35 2HD1 LEU 35 0.897 -0.317 -1.838 258 1HD2 LEU 35 3HD2 LEU 35 4.320 0.974 -3.133 259 2HD2 LEU 35 2HD2 LEU 35 3.632 0.830 -4.751 260 3HD2 LEU 35 1HD2 LEU 35 2.870 1.885 -3.560 261 H GLU 36 HN GLU 36 3.085 -0.999 -6.484 262 HA GLU 36 HA GLU 36 6.017 -1.027 -7.078 263 1HB GLU 36 2HB GLU 36 4.387 -2.204 -8.672 264 2HB GLU 36 1HB GLU 36 3.818 -0.590 -9.102 265 1HG GLU 36 2HG GLU 36 5.907 0.042 -9.992 266 2HG GLU 36 1HG GLU 36 6.756 -1.263 -9.162 267 H TYR 37 HN TYR 37 7.042 0.905 -7.180 268 HA TYR 37 HA TYR 37 5.657 3.348 -7.981 269 1HB TYR 37 2HB TYR 37 5.029 3.121 -5.564 270 2HB TYR 37 1HB TYR 37 6.745 3.165 -5.155 271 HD1 TYR 37 1HD TYR 37 4.489 5.082 -7.471 272 HD2 TYR 37 2HD TYR 37 7.454 5.233 -4.369 273 HE1 TYR 37 1HE TYR 37 4.449 7.562 -7.553 274 HE2 TYR 37 2HE TYR 37 7.416 7.711 -4.451 275 HH TYR 37 HH TYR 37 6.591 9.463 -6.662 276 H ASN 38 HN ASN 38 7.127 4.784 -8.830 277 HA ASN 38 HA ASN 38 9.185 5.629 -9.558 278 1HB ASN 38 2HB ASN 38 9.420 5.200 -6.762 279 2HB ASN 38 1HB ASN 38 10.918 4.604 -7.476 280 1HD2 ASN 38 2HD2 ASN 38 10.349 8.564 -7.178 281 2HD2 ASN 38 1HD2 ASN 38 9.358 7.424 -6.403 282 H GLY 39 HN GLY 39 8.376 3.023 -10.469 283 1HA GLY 39 2HA GLY 39 9.267 1.210 -11.661 284 2HA GLY 39 1HA GLY 39 10.772 2.126 -11.716 285 H LYS 40 HN LYS 40 9.279 1.233 -8.674 286 HA LYS 40 HA LYS 40 11.403 -0.836 -8.277 287 1HB LYS 40 2HB LYS 40 10.438 1.253 -6.297 288 2HB LYS 40 1HB LYS 40 11.532 -0.074 -5.903 289 1HG LYS 40 2HG LYS 40 12.918 0.862 -7.944 290 2HG LYS 40 1HG LYS 40 12.028 2.347 -7.604 291 1HD LYS 40 2HD LYS 40 12.747 1.884 -5.121 292 2HD LYS 40 1HD LYS 40 13.993 0.882 -5.866 293 1HE LYS 40 2HE LYS 40 13.495 3.827 -6.378 294 2HE LYS 40 1HE LYS 40 14.886 3.120 -5.555 295 1HZ LYS 40 1HZ LYS 40 15.344 1.889 -7.651 296 2HZ LYS 40 3HZ LYS 40 14.134 2.805 -8.407 297 3HZ LYS 40 2HZ LYS 40 15.515 3.574 -7.783 298 H THR 41 HN THR 41 10.313 -2.742 -8.160 299 HA THR 41 HA THR 41 7.570 -2.807 -7.069 300 HB THR 41 HB THR 41 9.220 -5.124 -8.106 301 HG1 THR 41 HG1 THR 41 9.082 -3.641 -9.742 302 1HG2 THR 41 3HG2 THR 41 6.929 -5.255 -6.736 303 2HG2 THR 41 2HG2 THR 41 6.252 -4.906 -8.327 304 3HG2 THR 41 1HG2 THR 41 7.259 -6.334 -8.091 305 H VAL 42 HN VAL 42 8.028 -2.388 -4.841 306 HA VAL 42 HA VAL 42 9.666 -4.433 -3.425 307 HB VAL 42 HB VAL 42 8.928 -2.888 -1.379 308 1HG1 VAL 42 3HG1 VAL 42 11.155 -2.812 -3.298 309 2HG1 VAL 42 2HG1 VAL 42 10.969 -1.342 -2.342 310 3HG1 VAL 42 1HG1 VAL 42 11.173 -2.897 -1.536 311 1HG2 VAL 42 3HG2 VAL 42 7.539 -1.489 -3.123 312 2HG2 VAL 42 2HG2 VAL 42 8.453 -0.655 -1.868 313 3HG2 VAL 42 1HG2 VAL 42 9.102 -0.767 -3.504 314 H ASN 43 HN ASN 43 8.774 -5.737 -1.809 315 HA ASN 43 HA ASN 43 5.971 -6.430 -2.153 316 1HB ASN 43 2HB ASN 43 8.051 -7.905 -1.407 317 2HB ASN 43 1HB ASN 43 7.592 -7.346 0.201 318 1HD2 ASN 43 2HD2 ASN 43 5.687 -10.480 -0.418 319 2HD2 ASN 43 1HD2 ASN 43 7.323 -10.059 -0.247 320 H LEU 44 HN LEU 44 4.314 -6.175 -0.486 321 HA LEU 44 HA LEU 44 4.501 -3.653 0.906 322 1HB LEU 44 2HB LEU 44 2.360 -4.750 0.066 323 2HB LEU 44 1HB LEU 44 2.454 -5.786 1.495 324 HG LEU 44 HG LEU 44 2.830 -3.472 2.732 325 1HD1 LEU 44 2HD1 LEU 44 1.355 -2.706 0.214 326 2HD1 LEU 44 1HD1 LEU 44 1.443 -1.701 1.664 327 3HD1 LEU 44 3HD1 LEU 44 2.914 -2.091 0.772 328 1HD2 LEU 44 1HD2 LEU 44 0.395 -4.941 1.916 329 2HD2 LEU 44 3HD2 LEU 44 1.007 -4.557 3.525 330 3HD2 LEU 44 2HD2 LEU 44 0.144 -3.332 2.592 331 H LYS 45 HN LYS 45 5.726 -6.719 1.709 332 HA LYS 45 HA LYS 45 5.469 -6.311 4.618 333 1HB LYS 45 2HB LYS 45 6.769 -8.453 2.910 334 2HB LYS 45 1HB LYS 45 6.918 -8.417 4.666 335 1HG LYS 45 2HG LYS 45 4.741 -9.038 5.002 336 2HG LYS 45 1HG LYS 45 4.163 -8.145 3.596 337 1HD LYS 45 2HD LYS 45 5.644 -10.038 2.350 338 2HD LYS 45 1HD LYS 45 5.151 -10.939 3.785 339 1HE LYS 45 2HE LYS 45 2.783 -9.840 3.169 340 2HE LYS 45 1HE LYS 45 3.489 -9.868 1.553 341 1HZ LYS 45 1HZ LYS 45 4.035 -12.250 1.980 342 2HZ LYS 45 3HZ LYS 45 3.095 -12.162 3.389 343 3HZ LYS 45 2HZ LYS 45 2.373 -11.914 1.872 344 H SER 46 HN SER 46 6.723 -4.136 3.480 345 HA SER 46 HA SER 46 9.445 -4.387 4.606 346 1HB SER 46 2HB SER 46 9.965 -4.921 2.333 347 2HB SER 46 1HB SER 46 8.892 -3.670 1.709 348 HG SER 46 HG SER 46 11.318 -3.299 1.923 349 H ILE 47 HN ILE 47 8.862 -2.897 6.185 350 HA ILE 47 HA ILE 47 7.530 -0.390 5.534 351 HB ILE 47 HB ILE 47 9.012 -1.136 8.066 352 1HG1 ILE 47 2HG1 ILE 47 6.122 -1.598 7.233 353 2HG1 ILE 47 1HG1 ILE 47 7.333 -2.842 7.531 354 1HG2 ILE 47 3HG2 ILE 47 8.304 1.301 7.520 355 2HG2 ILE 47 2HG2 ILE 47 6.654 0.724 7.753 356 3HG2 ILE 47 1HG2 ILE 47 7.815 0.635 9.078 357 1HD1 ILE 47 2HD1 ILE 47 7.531 -1.734 9.892 358 2HD1 ILE 47 1HD1 ILE 47 5.951 -1.051 9.511 359 3HD1 ILE 47 3HD1 ILE 47 6.167 -2.801 9.561 360 H MET 48 HN MET 48 10.859 -1.405 6.218 361 HA MET 48 HA MET 48 11.942 1.289 6.131 362 1HB MET 48 2HB MET 48 13.040 -0.625 7.324 363 2HB MET 48 1HB MET 48 13.383 -1.353 5.754 364 1HG MET 48 2HG MET 48 15.351 -0.192 6.028 365 2HG MET 48 1HG MET 48 14.389 1.084 5.283 366 1HE MET 48 2HE MET 48 16.916 1.673 6.780 367 2HE MET 48 1HE MET 48 15.892 3.006 6.252 368 3HE MET 48 3HE MET 48 16.525 2.973 7.903 369 H GLY 49 HN GLY 49 11.468 -1.323 3.799 370 1HA GLY 49 2HA GLY 49 13.080 -0.278 1.686 371 2HA GLY 49 1HA GLY 49 11.706 -1.361 1.464 372 H VAL 50 HN VAL 50 9.684 0.300 2.573 373 HA VAL 50 HA VAL 50 8.996 1.910 0.315 374 HB VAL 50 HB VAL 50 7.928 2.133 3.147 375 1HG1 VAL 50 1HG1 VAL 50 6.830 2.943 0.439 376 2HG1 VAL 50 3HG1 VAL 50 5.866 2.900 1.915 377 3HG1 VAL 50 2HG1 VAL 50 7.231 4.010 1.785 378 1HG2 VAL 50 1HG2 VAL 50 7.929 -0.158 1.741 379 2HG2 VAL 50 3HG2 VAL 50 6.558 0.321 2.742 380 3HG2 VAL 50 2HG2 VAL 50 6.523 0.606 1.002 381 H VAL 51 HN VAL 51 10.781 2.613 3.251 382 HA VAL 51 HA VAL 51 10.605 5.468 3.189 383 HB VAL 51 HB VAL 51 12.943 3.789 4.145 384 1HG1 VAL 51 2HG1 VAL 51 12.093 6.638 4.438 385 2HG1 VAL 51 1HG1 VAL 51 12.836 5.858 5.834 386 3HG1 VAL 51 3HG1 VAL 51 13.715 5.959 4.308 387 1HG2 VAL 51 3HG2 VAL 51 10.295 4.500 5.417 388 2HG2 VAL 51 2HG2 VAL 51 11.049 2.911 5.275 389 3HG2 VAL 51 1HG2 VAL 51 11.710 4.104 6.393 390 H SER 52 HN SER 52 12.697 3.164 1.517 391 HA SER 52 HA SER 52 14.582 5.045 0.468 392 1HB SER 52 2HB SER 52 15.234 3.303 -1.041 393 2HB SER 52 1HB SER 52 14.762 2.500 0.455 394 HG SER 52 HG SER 52 13.874 1.775 -1.725 395 H LEU 53 HN LEU 53 11.390 3.996 -0.621 396 HA LEU 53 HA LEU 53 11.486 5.217 -3.219 397 1HB LEU 53 2HB LEU 53 9.072 4.708 -1.451 398 2HB LEU 53 1HB LEU 53 9.044 4.998 -3.190 399 HG LEU 53 HG LEU 53 10.631 2.733 -1.976 400 1HD1 LEU 53 1HD1 LEU 53 8.166 2.602 -1.397 401 2HD1 LEU 53 3HD1 LEU 53 7.836 2.547 -3.129 402 3HD1 LEU 53 2HD1 LEU 53 8.769 1.258 -2.367 403 1HD2 LEU 53 3HD2 LEU 53 9.610 3.444 -4.736 404 2HD2 LEU 53 2HD2 LEU 53 11.284 3.240 -4.224 405 3HD2 LEU 53 1HD2 LEU 53 10.219 1.838 -4.335 406 H GLY 54 HN GLY 54 9.836 6.341 -0.239 407 1HA GLY 54 2HA GLY 54 9.707 8.549 0.611 408 2HA GLY 54 1HA GLY 54 10.701 9.094 -0.741 409 H ILE 55 HN ILE 55 7.434 7.757 -0.148 410 HA ILE 55 HA ILE 55 6.384 9.053 -2.557 411 HB ILE 55 HB ILE 55 4.840 7.729 -0.307 412 1HG1 ILE 55 2HG1 ILE 55 5.884 6.488 -2.871 413 2HG1 ILE 55 1HG1 ILE 55 6.623 6.252 -1.288 414 1HG2 ILE 55 3HG2 ILE 55 4.227 8.393 -3.199 415 2HG2 ILE 55 2HG2 ILE 55 3.234 7.309 -2.223 416 3HG2 ILE 55 1HG2 ILE 55 3.406 9.003 -1.762 417 1HD1 ILE 55 3HD1 ILE 55 3.717 5.628 -1.860 418 2HD1 ILE 55 2HD1 ILE 55 5.004 4.430 -1.997 419 3HD1 ILE 55 1HD1 ILE 55 4.654 5.173 -0.437 420 H ALA 56 HN ALA 56 4.506 10.566 -2.399 421 HA ALA 56 HA ALA 56 4.253 12.084 0.112 422 1HB ALA 56 2HB ALA 56 5.861 12.986 -2.179 423 2HB ALA 56 1HB ALA 56 4.649 14.160 -1.665 424 3HB ALA 56 3HB ALA 56 5.850 13.571 -0.516 425 H LYS 57 HN LYS 57 2.710 14.089 -0.458 426 HA LYS 57 HA LYS 57 0.238 12.985 -1.363 427 1HB LYS 57 2HB LYS 57 -0.595 15.323 -1.286 428 2HB LYS 57 1HB LYS 57 0.319 14.907 0.163 429 1HG LYS 57 2HG LYS 57 2.349 15.863 -1.277 430 2HG LYS 57 1HG LYS 57 1.050 16.748 -2.076 431 1HD LYS 57 2HD LYS 57 1.048 16.695 0.909 432 2HD LYS 57 1HD LYS 57 2.250 17.709 0.110 433 1HE LYS 57 2HE LYS 57 0.624 19.048 -0.922 434 2HE LYS 57 1HE LYS 57 -0.633 17.822 -0.747 435 1HZ LYS 57 1HZ LYS 57 0.634 19.191 1.556 436 2HZ LYS 57 3HZ LYS 57 -0.793 19.740 0.822 437 3HZ LYS 57 2HZ LYS 57 -0.756 18.213 1.566 438 H GLY 58 HN GLY 58 -0.750 12.999 -3.359 439 1HA GLY 58 2HA GLY 58 -1.096 13.560 -5.641 440 2HA GLY 58 1HA GLY 58 0.288 14.652 -5.553 441 H ALA 59 HN ALA 59 0.201 11.213 -4.672 442 HA ALA 59 HA ALA 59 2.170 10.706 -6.870 443 1HB ALA 59 3HB ALA 59 2.818 10.579 -4.275 444 2HB ALA 59 2HB ALA 59 2.126 8.966 -4.443 445 3HB ALA 59 1HB ALA 59 3.489 9.451 -5.451 446 H GLU 60 HN GLU 60 2.262 8.122 -7.150 447 HA GLU 60 HA GLU 60 -0.509 7.027 -7.092 448 1HB GLU 60 2HB GLU 60 1.320 7.026 -9.516 449 2HB GLU 60 1HB GLU 60 -0.255 6.237 -9.418 450 1HG GLU 60 2HG GLU 60 -0.949 8.732 -8.631 451 2HG GLU 60 1HG GLU 60 0.404 9.121 -9.693 452 H ILE 61 HN ILE 61 -0.561 4.694 -7.136 453 HA ILE 61 HA ILE 61 2.014 3.250 -7.039 454 HB ILE 61 HB ILE 61 1.363 2.175 -4.844 455 1HG1 ILE 61 2HG1 ILE 61 -0.552 4.530 -4.711 456 2HG1 ILE 61 1HG1 ILE 61 -1.043 2.853 -4.953 457 1HG2 ILE 61 1HG2 ILE 61 3.068 3.974 -5.020 458 2HG2 ILE 61 3HG2 ILE 61 1.800 5.177 -4.784 459 3HG2 ILE 61 2HG2 ILE 61 2.193 4.044 -3.491 460 1HD1 ILE 61 1HD1 ILE 61 0.455 2.501 -2.763 461 2HD1 ILE 61 3HD1 ILE 61 0.005 4.186 -2.496 462 3HD1 ILE 61 2HD1 ILE 61 -1.246 2.953 -2.659 463 H THR 62 HN THR 62 1.772 1.247 -7.932 464 HA THR 62 HA THR 62 -1.019 0.309 -8.442 465 HB THR 62 HB THR 62 1.341 -0.844 -9.877 466 HG1 THR 62 HG1 THR 62 0.134 1.628 -10.552 467 1HG2 THR 62 1HG2 THR 62 -1.579 -0.417 -10.303 468 2HG2 THR 62 3HG2 THR 62 -0.542 -0.428 -11.730 469 3HG2 THR 62 2HG2 THR 62 -0.586 -1.830 -10.660 470 H ILE 63 HN ILE 63 -1.561 -1.126 -6.859 471 HA ILE 63 HA ILE 63 0.490 -2.990 -5.804 472 HB ILE 63 HB ILE 63 -2.392 -2.519 -4.967 473 1HG1 ILE 63 2HG1 ILE 63 0.205 -1.646 -3.661 474 2HG1 ILE 63 1HG1 ILE 63 -0.830 -0.590 -4.623 475 1HG2 ILE 63 3HG2 ILE 63 -0.194 -4.309 -3.955 476 2HG2 ILE 63 2HG2 ILE 63 -1.392 -3.666 -2.830 477 3HG2 ILE 63 1HG2 ILE 63 -1.905 -4.672 -4.185 478 1HD1 ILE 63 3HD1 ILE 63 -2.703 -1.470 -2.962 479 2HD1 ILE 63 2HD1 ILE 63 -1.316 -1.766 -1.914 480 3HD1 ILE 63 1HD1 ILE 63 -1.646 -0.136 -2.501 481 H SER 64 HN SER 64 0.107 -5.300 -5.820 482 HA SER 64 HA SER 64 -2.057 -6.301 -7.575 483 1HB SER 64 2HB SER 64 -0.170 -7.741 -8.711 484 2HB SER 64 1HB SER 64 -0.482 -6.105 -9.283 485 HG SER 64 HG SER 64 1.658 -6.125 -8.929 486 H ALA 65 HN ALA 65 -2.964 -7.718 -6.153 487 HA ALA 65 HA ALA 65 -1.254 -9.315 -4.344 488 1HB ALA 65 3HB ALA 65 -3.428 -8.252 -3.591 489 2HB ALA 65 2HB ALA 65 -4.271 -9.391 -4.641 490 3HB ALA 65 1HB ALA 65 -3.317 -9.985 -3.283 491 H SER 66 HN SER 66 -0.610 -11.352 -4.887 492 HA SER 66 HA SER 66 -2.238 -12.865 -6.882 493 1HB SER 66 2HB SER 66 0.405 -11.832 -7.254 494 2HB SER 66 1HB SER 66 0.508 -13.589 -7.192 495 HG SER 66 HG SER 66 -1.287 -12.072 -8.793 496 H GLY 67 HN GLY 67 -3.039 -14.498 -5.630 497 1HA GLY 67 2HA GLY 67 -1.444 -16.632 -4.710 498 2HA GLY 67 1HA GLY 67 -1.718 -15.580 -3.322 499 H ALA 68 HN ALA 68 -3.088 -17.019 -2.216 500 HA ALA 68 HA ALA 68 -5.447 -18.146 -3.548 501 1HB ALA 68 1HB ALA 68 -4.294 -18.257 -0.772 502 2HB ALA 68 3HB ALA 68 -5.959 -18.770 -1.051 503 3HB ALA 68 2HB ALA 68 -4.634 -19.582 -1.887 504 H ASP 69 HN ASP 69 -4.986 -15.956 -0.747 505 HA ASP 69 HA ASP 69 -7.733 -14.913 -1.180 506 1HB ASP 69 2HB ASP 69 -7.339 -13.765 1.018 507 2HB ASP 69 1HB ASP 69 -7.201 -15.520 1.113 508 H GLU 70 HN GLU 70 -5.874 -14.209 -3.160 509 HA GLU 70 HA GLU 70 -4.557 -11.710 -2.704 510 1HB GLU 70 2HB GLU 70 -4.631 -11.502 -5.209 511 2HB GLU 70 1HB GLU 70 -3.978 -13.039 -4.644 512 1HG GLU 70 2HG GLU 70 -6.005 -14.196 -5.134 513 2HG GLU 70 1HG GLU 70 -6.899 -12.690 -5.339 514 H ASN 71 HN ASN 71 -7.882 -12.527 -3.475 515 HA ASN 71 HA ASN 71 -8.638 -9.801 -4.192 516 1HB ASN 71 2HB ASN 71 -10.367 -12.167 -3.408 517 2HB ASN 71 1HB ASN 71 -10.937 -10.676 -4.158 518 1HD2 ASN 71 2HD2 ASN 71 -9.610 -11.498 -7.392 519 2HD2 ASN 71 1HD2 ASN 71 -10.042 -10.195 -6.392 520 H ASP 72 HN ASP 72 -8.659 -11.784 -1.280 521 HA ASP 72 HA ASP 72 -10.228 -9.899 0.286 522 1HB ASP 72 2HB ASP 72 -8.389 -12.088 1.288 523 2HB ASP 72 1HB ASP 72 -9.712 -11.327 2.169 524 H ALA 73 HN ALA 73 -6.861 -10.205 -0.555 525 HA ALA 73 HA ALA 73 -5.912 -8.588 1.689 526 1HB ALA 73 1HB ALA 73 -4.543 -9.459 -0.869 527 2HB ALA 73 3HB ALA 73 -3.746 -8.632 0.470 528 3HB ALA 73 2HB ALA 73 -4.417 -10.246 0.704 529 H LEU 74 HN LEU 74 -6.509 -8.048 -1.794 530 HA LEU 74 HA LEU 74 -5.542 -5.356 -1.809 531 1HB LEU 74 2HB LEU 74 -6.679 -5.121 -3.953 532 2HB LEU 74 1HB LEU 74 -5.886 -6.688 -3.865 533 HG LEU 74 HG LEU 74 -8.253 -7.455 -2.936 534 1HD1 LEU 74 3HD1 LEU 74 -8.790 -4.782 -3.510 535 2HD1 LEU 74 2HD1 LEU 74 -9.418 -5.632 -4.921 536 3HD1 LEU 74 1HD1 LEU 74 -9.998 -6.051 -3.309 537 1HD2 LEU 74 1HD2 LEU 74 -7.100 -8.291 -4.966 538 2HD2 LEU 74 3HD2 LEU 74 -8.833 -8.104 -5.234 539 3HD2 LEU 74 2HD2 LEU 74 -7.707 -6.903 -5.868 540 H ASN 75 HN ASN 75 -8.834 -6.651 -1.273 541 HA ASN 75 HA ASN 75 -9.958 -3.979 -1.018 542 1HB ASN 75 2HB ASN 75 -11.962 -5.214 -0.063 543 2HB ASN 75 1HB ASN 75 -11.495 -5.676 -1.697 544 1HD2 ASN 75 2HD2 ASN 75 -11.892 -8.933 -0.187 545 2HD2 ASN 75 1HD2 ASN 75 -12.778 -7.714 -0.967 546 H ALA 76 HN ALA 76 -8.319 -6.170 1.146 547 HA ALA 76 HA ALA 76 -9.362 -5.098 3.615 548 1HB ALA 76 2HB ALA 76 -7.500 -7.089 2.876 549 2HB ALA 76 1HB ALA 76 -6.598 -5.940 3.857 550 3HB ALA 76 3HB ALA 76 -8.050 -6.702 4.504 551 H LEU 77 HN LEU 77 -6.213 -4.521 1.993 552 HA LEU 77 HA LEU 77 -5.507 -2.270 3.604 553 1HB LEU 77 2HB LEU 77 -4.654 -2.780 0.745 554 2HB LEU 77 1HB LEU 77 -3.795 -1.829 1.955 555 HG LEU 77 HG LEU 77 -4.319 -4.458 3.030 556 1HD1 LEU 77 3HD1 LEU 77 -4.222 -4.718 0.353 557 2HD1 LEU 77 2HD1 LEU 77 -2.493 -4.728 0.699 558 3HD1 LEU 77 1HD1 LEU 77 -3.549 -5.925 1.449 559 1HD2 LEU 77 2HD2 LEU 77 -1.819 -2.938 2.234 560 2HD2 LEU 77 1HD2 LEU 77 -2.527 -3.060 3.844 561 3HD2 LEU 77 3HD2 LEU 77 -1.787 -4.476 3.097 562 H GLU 78 HN GLU 78 -7.512 -2.575 0.736 563 HA GLU 78 HA GLU 78 -7.532 0.157 -0.089 564 1HB GLU 78 2HB GLU 78 -8.477 -1.715 -1.421 565 2HB GLU 78 1HB GLU 78 -9.784 -1.872 -0.250 566 1HG GLU 78 2HG GLU 78 -10.911 -0.101 -1.101 567 2HG GLU 78 1HG GLU 78 -9.453 0.880 -1.218 568 H GLU 79 HN GLU 79 -9.920 -1.554 1.976 569 HA GLU 79 HA GLU 79 -11.432 0.740 2.676 570 1HB GLU 79 2HB GLU 79 -12.168 -0.617 4.648 571 2HB GLU 79 1HB GLU 79 -12.268 -1.499 3.123 572 1HG GLU 79 2HG GLU 79 -10.333 -2.771 3.596 573 2HG GLU 79 1HG GLU 79 -9.812 -1.665 4.868 574 H THR 80 HN THR 80 -8.358 -0.422 3.893 575 HA THR 80 HA THR 80 -8.354 1.152 6.326 576 HB THR 80 HB THR 80 -5.976 0.149 4.731 577 HG1 THR 80 HG1 THR 80 -7.458 -1.084 6.810 578 1HG2 THR 80 1HG2 THR 80 -5.894 1.872 6.773 579 2HG2 THR 80 3HG2 THR 80 -6.031 0.380 7.704 580 3HG2 THR 80 2HG2 THR 80 -4.687 0.600 6.584 581 H MET 81 HN MET 81 -7.295 1.682 3.002 582 HA MET 81 HA MET 81 -5.997 4.217 3.494 583 1HB MET 81 2HB MET 81 -7.003 2.773 1.048 584 2HB MET 81 1HB MET 81 -6.425 4.433 0.928 585 1HG MET 81 2HG MET 81 -4.689 2.551 2.439 586 2HG MET 81 1HG MET 81 -4.792 2.283 0.699 587 1HE MET 81 3HE MET 81 -2.751 2.744 -0.192 588 2HE MET 81 2HE MET 81 -1.656 4.084 0.138 589 3HE MET 81 1HE MET 81 -1.942 2.865 1.377 590 H LYS 82 HN LYS 82 -9.290 3.208 2.814 591 HA LYS 82 HA LYS 82 -10.225 5.939 2.289 592 1HB LYS 82 2HB LYS 82 -11.669 3.302 2.661 593 2HB LYS 82 1HB LYS 82 -12.491 4.825 2.318 594 1HG LYS 82 2HG LYS 82 -11.712 4.919 0.153 595 2HG LYS 82 1HG LYS 82 -10.214 4.075 0.544 596 1HD LYS 82 2HD LYS 82 -11.254 2.346 -0.541 597 2HD LYS 82 1HD LYS 82 -11.980 2.094 1.047 598 1HE LYS 82 2HE LYS 82 -13.309 4.044 -0.782 599 2HE LYS 82 1HE LYS 82 -13.479 2.328 -1.156 600 1HZ LYS 82 1HZ LYS 82 -14.127 2.051 1.247 601 2HZ LYS 82 3HZ LYS 82 -14.258 3.739 1.328 602 3HZ LYS 82 2HZ LYS 82 -15.251 2.861 0.264 603 H SER 83 HN SER 83 -9.829 3.874 5.065 604 HA SER 83 HA SER 83 -11.802 5.202 6.735 605 1HB SER 83 2HB SER 83 -10.311 4.066 8.578 606 2HB SER 83 1HB SER 83 -11.295 3.064 7.514 607 HG SER 83 HG SER 83 -8.939 2.558 7.810 608 H GLU 84 HN GLU 84 -8.253 5.094 7.194 609 HA GLU 84 HA GLU 84 -8.171 7.456 8.795 610 1HB GLU 84 2HB GLU 84 -6.139 5.835 7.300 611 2HB GLU 84 1HB GLU 84 -5.668 7.411 7.938 612 1HG GLU 84 2HG GLU 84 -7.137 5.492 9.718 613 2HG GLU 84 1HG GLU 84 -5.409 5.262 9.442 614 H GLY 85 HN GLY 85 -8.126 6.978 5.321 615 1HA GLY 85 2HA GLY 85 -8.684 8.688 3.732 616 2HA GLY 85 1HA GLY 85 -8.328 9.908 4.957 617 H LEU 86 HN LEU 86 -6.279 7.182 3.981 618 HA LEU 86 HA LEU 86 -4.005 8.996 3.626 619 1HB LEU 86 2HB LEU 86 -4.315 6.003 3.281 620 2HB LEU 86 1HB LEU 86 -2.789 6.864 3.067 621 HG LEU 86 HG LEU 86 -4.451 6.928 5.603 622 1HD1 LEU 86 2HD1 LEU 86 -2.194 5.190 4.669 623 2HD1 LEU 86 1HD1 LEU 86 -2.281 5.631 6.374 624 3HD1 LEU 86 3HD1 LEU 86 -3.615 4.759 5.621 625 1HD2 LEU 86 3HD2 LEU 86 -1.795 8.089 4.759 626 2HD2 LEU 86 2HD2 LEU 86 -3.151 8.903 5.539 627 3HD2 LEU 86 1HD2 LEU 86 -2.150 7.780 6.459 628 H GLY 87 HN GLY 87 -5.642 6.601 1.526 629 1HA GLY 87 2HA GLY 87 -5.301 8.427 -0.776 630 2HA GLY 87 1HA GLY 87 -4.520 6.848 -0.896 631 H GLU 88 HN GLU 88 -6.329 7.211 -2.795 632 HA GLU 88 HA GLU 88 -8.664 5.591 -1.883 633 1HB GLU 88 2HB GLU 88 -10.056 6.896 -3.549 634 2HB GLU 88 1HB GLU 88 -9.550 7.814 -2.133 635 1HG GLU 88 2HG GLU 88 -7.557 7.964 -4.260 636 2HG GLU 88 1HG GLU 88 -9.133 8.521 -4.817 No H/Q in entry = 636 Start of MODEL 23 1 1H ALA 2 2HT ALA 2 -4.770 -9.794 -9.612 2 2H ALA 2 1HT ALA 2 -6.155 -10.755 -9.826 3 3H ALA 2 3HT ALA 2 -6.106 -9.186 -10.468 4 HA ALA 2 HA ALA 2 -7.415 -8.994 -8.553 5 1HB ALA 2 2HB ALA 2 -6.358 -11.291 -7.748 6 2HB ALA 2 1HB ALA 2 -5.305 -10.225 -6.818 7 3HB ALA 2 3HB ALA 2 -7.053 -10.164 -6.583 8 H GLN 3 HN GLN 3 -5.427 -7.398 -9.874 9 HA GLN 3 HA GLN 3 -4.059 -6.023 -7.610 10 1HB GLN 3 2HB GLN 3 -2.845 -4.801 -9.458 11 2HB GLN 3 1HB GLN 3 -2.551 -6.538 -9.420 12 1HG GLN 3 2HG GLN 3 -4.862 -5.664 -11.059 13 2HG GLN 3 1HG GLN 3 -3.275 -5.194 -11.666 14 1HE2 GLN 3 2HE2 GLN 3 -2.206 -8.664 -12.035 15 2HE2 GLN 3 1HE2 GLN 3 -1.600 -7.175 -11.490 16 H LYS 4 HN LYS 4 -4.288 -3.719 -7.391 17 HA LYS 4 HA LYS 4 -6.501 -2.465 -8.930 18 1HB LYS 4 2HB LYS 4 -6.894 -3.482 -6.360 19 2HB LYS 4 1HB LYS 4 -6.616 -1.763 -6.089 20 1HG LYS 4 2HG LYS 4 -8.502 -1.130 -7.266 21 2HG LYS 4 1HG LYS 4 -8.457 -2.553 -8.310 22 1HD LYS 4 2HD LYS 4 -9.342 -3.960 -6.601 23 2HD LYS 4 1HD LYS 4 -9.065 -2.742 -5.355 24 1HE LYS 4 2HE LYS 4 -11.426 -2.735 -5.906 25 2HE LYS 4 1HE LYS 4 -10.708 -1.253 -6.539 26 1HZ LYS 4 2HZ LYS 4 -10.922 -3.680 -8.206 27 2HZ LYS 4 1HZ LYS 4 -12.223 -2.597 -8.067 28 3HZ LYS 4 3HZ LYS 4 -10.741 -2.065 -8.699 29 H THR 5 HN THR 5 -6.345 -0.167 -9.011 30 HA THR 5 HA THR 5 -3.631 0.855 -8.448 31 HB THR 5 HB THR 5 -5.918 2.363 -9.730 32 HG1 THR 5 HG1 THR 5 -5.754 0.652 -11.029 33 1HG2 THR 5 3HG2 THR 5 -2.949 2.656 -9.508 34 2HG2 THR 5 2HG2 THR 5 -3.743 3.231 -10.974 35 3HG2 THR 5 1HG2 THR 5 -4.207 3.888 -9.404 36 H PHE 6 HN PHE 6 -3.283 2.795 -7.209 37 HA PHE 6 HA PHE 6 -5.550 3.716 -5.520 38 1HB PHE 6 2HB PHE 6 -2.924 2.599 -4.512 39 2HB PHE 6 1HB PHE 6 -3.973 3.613 -3.520 40 HD1 PHE 6 1HD PHE 6 -3.698 0.378 -5.299 41 HD2 PHE 6 2HD PHE 6 -6.069 2.791 -2.652 42 HE1 PHE 6 1HE PHE 6 -5.093 -1.598 -4.746 43 HE2 PHE 6 2HE PHE 6 -7.462 0.815 -2.101 44 HZ PHE 6 HZ PHE 6 -6.974 -1.379 -3.146 45 H LYS 7 HN LYS 7 -5.325 5.875 -4.845 46 HA LYS 7 HA LYS 7 -3.052 7.343 -6.105 47 1HB LYS 7 2HB LYS 7 -5.852 7.798 -6.115 48 2HB LYS 7 1HB LYS 7 -5.157 9.073 -5.117 49 1HG LYS 7 2HG LYS 7 -4.120 8.342 -7.870 50 2HG LYS 7 1HG LYS 7 -5.278 9.638 -7.573 51 1HD LYS 7 2HD LYS 7 -2.850 9.687 -5.871 52 2HD LYS 7 1HD LYS 7 -2.582 10.010 -7.583 53 1HE LYS 7 2HE LYS 7 -3.033 12.139 -6.637 54 2HE LYS 7 1HE LYS 7 -4.547 11.661 -7.405 55 1HZ LYS 7 3HZ LYS 7 -3.966 11.105 -4.557 56 2HZ LYS 7 2HZ LYS 7 -4.712 12.543 -5.068 57 3HZ LYS 7 1HZ LYS 7 -5.464 11.045 -5.349 58 H VAL 8 HN VAL 8 -1.556 8.225 -4.773 59 HA VAL 8 HA VAL 8 -1.895 8.016 -1.869 60 HB VAL 8 HB VAL 8 0.376 9.266 -3.443 61 1HG1 VAL 8 3HG1 VAL 8 0.262 9.835 -1.023 62 2HG1 VAL 8 2HG1 VAL 8 0.254 8.114 -0.639 63 3HG1 VAL 8 1HG1 VAL 8 1.667 8.840 -1.405 64 1HG2 VAL 8 1HG2 VAL 8 -0.370 6.441 -2.849 65 2HG2 VAL 8 3HG2 VAL 8 0.523 7.103 -4.219 66 3HG2 VAL 8 2HG2 VAL 8 1.332 6.870 -2.669 67 H THR 9 HN THR 9 -2.968 9.570 -0.769 68 HA THR 9 HA THR 9 -2.540 12.418 -1.561 69 HB THR 9 HB THR 9 -5.218 11.533 -0.536 70 HG1 THR 9 HG1 THR 9 -5.528 10.419 -2.266 71 1HG2 THR 9 3HG2 THR 9 -4.245 13.708 -2.407 72 2HG2 THR 9 2HG2 THR 9 -5.932 13.447 -1.967 73 3HG2 THR 9 1HG2 THR 9 -4.762 13.920 -0.735 74 H ALA 10 HN ALA 10 -1.474 10.620 0.627 75 HA ALA 10 HA ALA 10 -2.724 11.543 3.085 76 1HB ALA 10 3HB ALA 10 -1.025 9.458 2.423 77 2HB ALA 10 2HB ALA 10 0.032 10.554 3.312 78 3HB ALA 10 1HB ALA 10 -1.444 9.948 4.064 79 H ASP 11 HN ASP 11 -1.418 12.788 4.733 80 HA ASP 11 HA ASP 11 -0.457 15.257 3.581 81 1HB ASP 11 2HB ASP 11 0.134 15.818 5.954 82 2HB ASP 11 1HB ASP 11 -1.532 15.269 5.767 83 H SER 12 HN SER 12 1.097 12.363 4.873 84 HA SER 12 HA SER 12 3.749 13.545 4.152 85 1HB SER 12 2HB SER 12 4.757 12.169 5.822 86 2HB SER 12 1HB SER 12 3.324 12.855 6.581 87 HG SER 12 HG SER 12 3.150 10.735 6.997 88 H GLY 13 HN GLY 13 1.711 12.049 2.440 89 1HA GLY 13 2HA GLY 13 1.797 10.458 0.720 90 2HA GLY 13 1HA GLY 13 3.551 10.505 0.898 91 H ILE 14 HN ILE 14 4.036 8.328 0.902 92 HA ILE 14 HA ILE 14 2.750 6.679 3.044 93 HB ILE 14 HB ILE 14 3.901 5.653 0.435 94 1HG1 ILE 14 2HG1 ILE 14 0.979 5.976 1.174 95 2HG1 ILE 14 1HG1 ILE 14 1.855 7.123 0.161 96 1HG2 ILE 14 1HG2 ILE 14 3.777 4.140 2.484 97 2HG2 ILE 14 3HG2 ILE 14 2.024 4.304 2.387 98 3HG2 ILE 14 2HG2 ILE 14 2.915 3.564 1.057 99 1HD1 ILE 14 2HD1 ILE 14 1.552 4.163 -0.426 100 2HD1 ILE 14 1HD1 ILE 14 0.629 5.451 -1.202 101 3HD1 ILE 14 3HD1 ILE 14 2.373 5.345 -1.447 102 1HN HIP 15 HN HIP 15 4.445 7.272 4.523 103 HA HIP 15 HA HIP 15 7.155 6.324 3.777 104 1HB HIP 15 1HB HIP 15 6.928 8.695 4.544 105 2HB HIP 15 2HB HIP 15 8.030 7.745 5.520 106 HD2 HIP 15 2HD HIP 15 4.132 8.461 5.932 107 HE2 HIP 15 2HE HIP 15 3.815 9.010 8.449 108 HE1 HIP 15 1HE HIP 15 6.040 8.933 9.653 109 H ALA 16 HN ALA 16 7.650 6.227 6.884 110 HA ALA 16 HA ALA 16 7.268 3.378 7.072 111 1HB ALA 16 1HB ALA 16 8.997 5.094 8.220 112 2HB ALA 16 3HB ALA 16 7.845 4.910 9.544 113 3HB ALA 16 2HB ALA 16 8.654 3.493 8.875 114 H ARG 17 HN ARG 17 5.578 6.133 8.627 115 HA ARG 17 HA ARG 17 4.064 4.646 10.489 116 1HB ARG 17 2HB ARG 17 4.143 7.296 9.706 117 2HB ARG 17 1HB ARG 17 2.517 6.806 9.241 118 1HG ARG 17 2HG ARG 17 2.041 7.283 11.422 119 2HG ARG 17 1HG ARG 17 2.673 5.660 11.695 120 1HD ARG 17 2HD ARG 17 4.625 7.921 11.599 121 2HD ARG 17 1HD ARG 17 3.624 7.755 13.041 122 HE ARG 17 HE ARG 17 5.060 5.334 12.121 123 1HH1 ARG 17 HH11 ARG 17 3.790 6.386 14.859 124 2HH1 ARG 17 HH12 ARG 17 5.236 6.426 15.813 125 1HH2 ARG 17 HH21 ARG 17 7.357 6.081 13.093 126 2HH2 ARG 17 HH22 ARG 17 7.255 6.253 14.813 127 HA PRO 18 HA PRO 18 0.646 3.934 7.244 128 1HB PRO 18 2HB PRO 18 1.204 4.474 4.603 129 2HB PRO 18 1HB PRO 18 0.434 5.629 5.705 130 1HG PRO 18 2HG PRO 18 3.241 5.580 4.693 131 2HG PRO 18 1HG PRO 18 2.255 6.960 5.204 132 1HD PRO 18 2HD PRO 18 4.273 5.750 6.736 133 2HD PRO 18 1HD PRO 18 3.022 6.838 7.362 134 H ALA 19 HN ALA 19 4.000 3.315 6.477 135 HA ALA 19 HA ALA 19 3.544 0.960 4.842 136 1HB ALA 19 3HB ALA 19 5.877 2.301 6.113 137 2HB ALA 19 2HB ALA 19 6.043 0.576 5.790 138 3HB ALA 19 1HB ALA 19 5.690 1.690 4.469 139 H THR 20 HN THR 20 3.634 1.619 8.270 140 HA THR 20 HA THR 20 4.000 -1.194 9.019 141 HB THR 20 HB THR 20 2.987 0.852 10.948 142 HG1 THR 20 HG1 THR 20 5.647 0.759 9.972 143 1HG2 THR 20 2HG2 THR 20 3.810 -1.685 11.248 144 2HG2 THR 20 1HG2 THR 20 5.371 -0.875 11.393 145 3HG2 THR 20 3HG2 THR 20 4.057 -0.463 12.497 146 H VAL 21 HN VAL 21 1.385 1.110 8.577 147 HA VAL 21 HA VAL 21 -0.669 -0.505 9.843 148 HB VAL 21 HB VAL 21 -1.011 1.600 7.714 149 1HG1 VAL 21 1HG1 VAL 21 -2.980 0.155 8.290 150 2HG1 VAL 21 3HG1 VAL 21 -2.852 0.724 9.955 151 3HG1 VAL 21 2HG1 VAL 21 -3.230 1.861 8.660 152 1HG2 VAL 21 1HG2 VAL 21 -0.327 1.786 10.611 153 2HG2 VAL 21 3HG2 VAL 21 0.088 2.877 9.289 154 3HG2 VAL 21 2HG2 VAL 21 -1.526 2.926 9.999 155 H LEU 22 HN LEU 22 0.615 -0.139 6.607 156 HA LEU 22 HA LEU 22 -1.389 -1.808 5.333 157 1HB LEU 22 2HB LEU 22 1.316 -0.801 4.425 158 2HB LEU 22 1HB LEU 22 0.157 -1.629 3.385 159 HG LEU 22 HG LEU 22 -0.441 0.920 4.910 160 1HD1 LEU 22 2HD1 LEU 22 0.739 0.367 2.224 161 2HD1 LEU 22 1HD1 LEU 22 -0.493 1.629 2.302 162 3HD1 LEU 22 3HD1 LEU 22 0.963 1.760 3.287 163 1HD2 LEU 22 2HD2 LEU 22 -1.945 -0.842 2.981 164 2HD2 LEU 22 1HD2 LEU 22 -2.502 -0.129 4.495 165 3HD2 LEU 22 3HD2 LEU 22 -2.308 0.883 3.063 166 H VAL 23 HN VAL 23 2.005 -2.286 6.361 167 HA VAL 23 HA VAL 23 2.265 -4.941 5.346 168 HB VAL 23 HB VAL 23 4.193 -3.582 6.104 169 1HG1 VAL 23 3HG1 VAL 23 2.972 -2.632 8.103 170 2HG1 VAL 23 2HG1 VAL 23 3.237 -4.174 8.915 171 3HG1 VAL 23 1HG1 VAL 23 4.614 -3.181 8.439 172 1HG2 VAL 23 3HG2 VAL 23 4.111 -6.188 6.133 173 2HG2 VAL 23 2HG2 VAL 23 5.445 -5.383 6.958 174 3HG2 VAL 23 1HG2 VAL 23 4.083 -6.010 7.887 175 H GLN 24 HN GLN 24 0.720 -3.695 8.234 176 HA GLN 24 HA GLN 24 0.566 -6.225 9.635 177 1HB GLN 24 2HB GLN 24 -0.938 -3.613 9.895 178 2HB GLN 24 1HB GLN 24 -1.274 -5.003 10.924 179 1HG GLN 24 2HG GLN 24 1.578 -4.544 10.814 180 2HG GLN 24 1HG GLN 24 0.755 -3.057 11.278 181 1HE2 GLN 24 2HE2 GLN 24 0.575 -6.312 13.776 182 2HE2 GLN 24 1HE2 GLN 24 1.024 -6.528 12.154 183 H THR 25 HN THR 25 -1.827 -4.366 7.717 184 HA THR 25 HA THR 25 -3.918 -6.297 7.892 185 HB THR 25 HB THR 25 -3.416 -4.457 5.541 186 HG1 THR 25 HG1 THR 25 -3.395 -3.065 7.162 187 1HG2 THR 25 3HG2 THR 25 -5.738 -5.976 6.655 188 2HG2 THR 25 2HG2 THR 25 -6.049 -4.418 5.890 189 3HG2 THR 25 1HG2 THR 25 -5.275 -5.712 4.974 190 H ALA 26 HN ALA 26 -1.723 -5.706 5.126 191 HA ALA 26 HA ALA 26 -2.466 -7.989 3.626 192 1HB ALA 26 2HB ALA 26 -1.126 -6.110 2.723 193 2HB ALA 26 1HB ALA 26 0.241 -6.631 3.710 194 3HB ALA 26 3HB ALA 26 -0.360 -7.670 2.417 195 H SER 27 HN SER 27 -0.412 -7.721 6.440 196 HA SER 27 HA SER 27 1.171 -10.065 6.121 197 1HB SER 27 2HB SER 27 0.437 -8.260 8.303 198 2HB SER 27 1HB SER 27 0.640 -9.921 8.852 199 HG SER 27 HG SER 27 2.485 -8.516 7.210 200 H LYS 28 HN LYS 28 -2.112 -9.621 7.385 201 HA LYS 28 HA LYS 28 -2.494 -12.326 8.268 202 1HB LYS 28 2HB LYS 28 -4.410 -10.136 7.442 203 2HB LYS 28 1HB LYS 28 -4.967 -11.718 7.990 204 1HG LYS 28 2HG LYS 28 -4.938 -10.556 10.002 205 2HG LYS 28 1HG LYS 28 -3.318 -11.253 10.003 206 1HD LYS 28 2HD LYS 28 -2.299 -9.233 9.631 207 2HD LYS 28 1HD LYS 28 -3.625 -8.630 8.636 208 1HE LYS 28 2HE LYS 28 -4.026 -7.348 10.495 209 2HE LYS 28 1HE LYS 28 -4.902 -8.791 11.005 210 1HZ LYS 28 1HZ LYS 28 -2.637 -9.517 11.929 211 2HZ LYS 28 3HZ LYS 28 -2.216 -7.879 11.808 212 3HZ LYS 28 2HZ LYS 28 -3.521 -8.349 12.786 213 H TYR 29 HN TYR 29 -2.728 -10.761 5.131 214 HA TYR 29 HA TYR 29 -4.011 -13.131 3.919 215 1HB TYR 29 2HB TYR 29 -3.018 -10.546 2.663 216 2HB TYR 29 1HB TYR 29 -3.916 -11.812 1.824 217 HD1 TYR 29 2HD TYR 29 -6.245 -12.406 2.597 218 HD2 TYR 29 1HD TYR 29 -4.145 -8.948 4.035 219 HE1 TYR 29 2HE TYR 29 -8.383 -11.442 3.401 220 HE2 TYR 29 1HE TYR 29 -6.282 -7.982 4.837 221 HH TYR 29 HH TYR 29 -8.760 -9.340 5.545 222 H ASP 30 HN ASP 30 -2.776 -14.814 3.322 223 HA ASP 30 HA ASP 30 0.090 -14.754 3.268 224 1HB ASP 30 2HB ASP 30 -1.833 -16.762 2.058 225 2HB ASP 30 1HB ASP 30 -0.104 -17.023 2.289 226 H ALA 31 HN ALA 31 -2.241 -13.788 0.915 227 HA ALA 31 HA ALA 31 -0.912 -14.388 -1.513 228 1HB ALA 31 1HB ALA 31 -3.235 -13.192 -0.959 229 2HB ALA 31 3HB ALA 31 -2.269 -11.742 -1.231 230 3HB ALA 31 2HB ALA 31 -2.422 -12.951 -2.506 231 H ASP 32 HN ASP 32 0.619 -13.226 -2.745 232 HA ASP 32 HA ASP 32 2.439 -11.534 -1.148 233 1HB ASP 32 2HB ASP 32 2.604 -12.974 -3.778 234 2HB ASP 32 1HB ASP 32 3.719 -11.645 -3.456 235 H VAL 33 HN VAL 33 1.117 -9.626 -1.010 236 HA VAL 33 HA VAL 33 0.389 -8.274 -3.532 237 HB VAL 33 HB VAL 33 -0.750 -6.647 -2.114 238 1HG1 VAL 33 3HG1 VAL 33 -1.386 -9.360 -2.269 239 2HG1 VAL 33 2HG1 VAL 33 -1.555 -8.993 -0.552 240 3HG1 VAL 33 1HG1 VAL 33 -2.468 -8.070 -1.746 241 1HG2 VAL 33 1HG2 VAL 33 0.710 -8.071 0.124 242 2HG2 VAL 33 3HG2 VAL 33 0.768 -6.359 -0.286 243 3HG2 VAL 33 2HG2 VAL 33 -0.697 -7.050 0.410 244 H ASN 34 HN ASN 34 1.827 -6.968 -4.524 245 HA ASN 34 HA ASN 34 4.000 -5.745 -2.872 246 1HB ASN 34 2HB ASN 34 3.913 -6.543 -5.791 247 2HB ASN 34 1HB ASN 34 5.214 -5.580 -5.090 248 1HD2 ASN 34 1HD2 ASN 34 6.898 -6.731 -4.110 249 2HD2 ASN 34 2HD2 ASN 34 6.832 -8.378 -3.704 250 H LEU 35 HN LEU 35 4.134 -3.551 -2.804 251 HA LEU 35 HA LEU 35 2.101 -1.980 -4.267 252 1HB LEU 35 2HB LEU 35 2.802 -1.715 -1.755 253 2HB LEU 35 1HB LEU 35 4.165 -0.811 -2.415 254 HG LEU 35 HG LEU 35 1.351 -0.188 -3.289 255 1HD1 LEU 35 3HD1 LEU 35 1.812 -0.142 -0.683 256 2HD1 LEU 35 2HD1 LEU 35 2.667 1.350 -1.075 257 3HD1 LEU 35 1HD1 LEU 35 0.953 1.189 -1.458 258 1HD2 LEU 35 2HD2 LEU 35 4.065 1.040 -3.437 259 2HD2 LEU 35 1HD2 LEU 35 2.762 1.047 -4.626 260 3HD2 LEU 35 3HD2 LEU 35 2.701 2.142 -3.246 261 H GLU 36 HN GLU 36 2.600 -0.651 -5.983 262 HA GLU 36 HA GLU 36 5.454 -0.614 -6.862 263 1HB GLU 36 2HB GLU 36 3.674 -1.573 -8.397 264 2HB GLU 36 1HB GLU 36 3.003 0.055 -8.513 265 1HG GLU 36 2HG GLU 36 5.030 0.909 -9.484 266 2HG GLU 36 1HG GLU 36 5.892 -0.592 -9.147 267 H TYR 37 HN TYR 37 6.489 1.343 -7.216 268 HA TYR 37 HA TYR 37 4.902 3.843 -6.952 269 1HB TYR 37 2HB TYR 37 5.806 3.259 -4.695 270 2HB TYR 37 1HB TYR 37 7.434 3.298 -5.372 271 HD1 TYR 37 1HD TYR 37 4.410 5.492 -5.789 272 HD2 TYR 37 2HD TYR 37 8.558 5.227 -4.700 273 HE1 TYR 37 1HE TYR 37 4.485 7.952 -5.473 274 HE2 TYR 37 2HE TYR 37 8.633 7.685 -4.387 275 HH TYR 37 HH TYR 37 7.046 9.728 -5.497 276 H ASN 38 HN ASN 38 5.340 4.013 -9.245 277 HA ASN 38 HA ASN 38 6.543 4.814 -11.088 278 1HB ASN 38 2HB ASN 38 7.109 6.500 -9.069 279 2HB ASN 38 1HB ASN 38 8.729 5.868 -9.362 280 1HD2 ASN 38 2HD2 ASN 38 6.999 8.336 -12.103 281 2HD2 ASN 38 1HD2 ASN 38 6.127 7.805 -10.747 282 H GLY 39 HN GLY 39 6.996 2.176 -10.707 283 1HA GLY 39 2HA GLY 39 8.537 0.651 -11.694 284 2HA GLY 39 1HA GLY 39 9.781 1.892 -11.595 285 H LYS 40 HN LYS 40 8.700 2.146 -8.603 286 HA LYS 40 HA LYS 40 10.699 0.247 -7.550 287 1HB LYS 40 2HB LYS 40 9.008 2.328 -6.127 288 2HB LYS 40 1HB LYS 40 10.344 1.424 -5.415 289 1HG LYS 40 2HG LYS 40 10.917 2.878 -7.948 290 2HG LYS 40 1HG LYS 40 10.678 3.863 -6.503 291 1HD LYS 40 2HD LYS 40 12.304 1.919 -5.506 292 2HD LYS 40 1HD LYS 40 12.879 1.993 -7.172 293 1HE LYS 40 2HE LYS 40 12.477 4.506 -5.555 294 2HE LYS 40 1HE LYS 40 13.978 3.586 -5.448 295 1HZ LYS 40 1HZ LYS 40 14.207 3.772 -7.855 296 2HZ LYS 40 3HZ LYS 40 12.784 4.693 -7.932 297 3HZ LYS 40 2HZ LYS 40 14.147 5.303 -7.121 298 H THR 41 HN THR 41 9.532 -1.737 -7.924 299 HA THR 41 HA THR 41 6.941 -2.080 -6.541 300 HB THR 41 HB THR 41 8.545 -4.115 -8.112 301 HG1 THR 41 HG1 THR 41 6.365 -2.524 -8.969 302 1HG2 THR 41 3HG2 THR 41 6.479 -4.579 -6.427 303 2HG2 THR 41 2HG2 THR 41 5.586 -4.202 -7.900 304 3HG2 THR 41 1HG2 THR 41 6.756 -5.522 -7.891 305 H VAL 42 HN VAL 42 7.524 -2.025 -4.343 306 HA VAL 42 HA VAL 42 9.444 -4.118 -3.418 307 HB VAL 42 HB VAL 42 8.994 -2.873 -1.131 308 1HG1 VAL 42 1HG1 VAL 42 11.032 -2.879 -2.926 309 2HG1 VAL 42 3HG1 VAL 42 10.647 -1.159 -2.873 310 3HG1 VAL 42 2HG1 VAL 42 11.067 -2.016 -1.387 311 1HG2 VAL 42 1HG2 VAL 42 7.216 -1.392 -2.037 312 2HG2 VAL 42 3HG2 VAL 42 8.580 -0.471 -1.403 313 3HG2 VAL 42 2HG2 VAL 42 8.391 -0.681 -3.144 314 H ASN 43 HN ASN 43 8.780 -5.638 -1.854 315 HA ASN 43 HA ASN 43 6.024 -6.471 -1.981 316 1HB ASN 43 2HB ASN 43 8.156 -7.870 -1.424 317 2HB ASN 43 1HB ASN 43 7.926 -7.275 0.221 318 1HD2 ASN 43 2HD2 ASN 43 5.834 -10.131 0.605 319 2HD2 ASN 43 1HD2 ASN 43 7.339 -9.446 0.989 320 H LEU 44 HN LEU 44 4.353 -6.114 -0.453 321 HA LEU 44 HA LEU 44 4.515 -3.705 1.079 322 1HB LEU 44 2HB LEU 44 2.392 -4.820 0.219 323 2HB LEU 44 1HB LEU 44 2.518 -5.893 1.617 324 HG LEU 44 HG LEU 44 2.864 -3.624 2.924 325 1HD1 LEU 44 1HD1 LEU 44 1.413 -2.790 0.415 326 2HD1 LEU 44 3HD1 LEU 44 1.439 -1.835 1.900 327 3HD1 LEU 44 2HD1 LEU 44 2.942 -2.161 1.035 328 1HD2 LEU 44 3HD2 LEU 44 0.416 -5.032 2.014 329 2HD2 LEU 44 2HD2 LEU 44 1.067 -4.822 3.640 330 3HD2 LEU 44 1HD2 LEU 44 0.206 -3.499 2.857 331 H LYS 45 HN LYS 45 5.666 -6.854 1.807 332 HA LYS 45 HA LYS 45 5.503 -6.436 4.724 333 1HB LYS 45 2HB LYS 45 6.600 -8.639 2.961 334 2HB LYS 45 1HB LYS 45 6.908 -8.602 4.699 335 1HG LYS 45 2HG LYS 45 4.964 -9.896 4.583 336 2HG LYS 45 1HG LYS 45 4.312 -8.285 4.881 337 1HD LYS 45 2HD LYS 45 3.619 -8.011 2.659 338 2HD LYS 45 1HD LYS 45 4.737 -9.236 2.060 339 1HE LYS 45 2HE LYS 45 2.519 -9.978 3.958 340 2HE LYS 45 1HE LYS 45 2.219 -9.858 2.225 341 1HZ LYS 45 3HZ LYS 45 4.517 -11.410 3.202 342 2HZ LYS 45 2HZ LYS 45 2.965 -12.099 3.243 343 3HZ LYS 45 1HZ LYS 45 3.633 -11.591 1.766 344 H SER 46 HN SER 46 6.823 -4.323 3.543 345 HA SER 46 HA SER 46 9.561 -4.683 4.602 346 1HB SER 46 2HB SER 46 9.648 -5.254 2.137 347 2HB SER 46 1HB SER 46 9.126 -3.606 1.791 348 HG SER 46 HG SER 46 11.398 -3.793 1.771 349 H ILE 47 HN ILE 47 8.703 -3.218 6.201 350 HA ILE 47 HA ILE 47 7.604 -0.645 5.534 351 HB ILE 47 HB ILE 47 9.048 -1.433 8.079 352 1HG1 ILE 47 2HG1 ILE 47 6.138 -1.762 7.253 353 2HG1 ILE 47 1HG1 ILE 47 7.285 -3.064 7.551 354 1HG2 ILE 47 3HG2 ILE 47 8.460 1.030 7.527 355 2HG2 ILE 47 2HG2 ILE 47 6.780 0.534 7.728 356 3HG2 ILE 47 1HG2 ILE 47 7.907 0.392 9.076 357 1HD1 ILE 47 3HD1 ILE 47 7.541 -1.854 9.899 358 2HD1 ILE 47 2HD1 ILE 47 5.928 -1.261 9.510 359 3HD1 ILE 47 1HD1 ILE 47 6.229 -2.995 9.607 360 H MET 48 HN MET 48 10.882 -1.701 6.470 361 HA MET 48 HA MET 48 12.090 0.895 6.313 362 1HB MET 48 2HB MET 48 13.028 -1.314 7.320 363 2HB MET 48 1HB MET 48 13.560 -1.659 5.673 364 1HG MET 48 2HG MET 48 14.948 0.272 5.604 365 2HG MET 48 1HG MET 48 14.195 0.957 7.045 366 1HE MET 48 3HE MET 48 15.474 1.372 8.606 367 2HE MET 48 2HE MET 48 14.947 0.085 9.689 368 3HE MET 48 1HE MET 48 16.668 0.393 9.470 369 H GLY 49 HN GLY 49 11.311 -1.535 3.900 370 1HA GLY 49 2HA GLY 49 12.966 -0.507 1.785 371 2HA GLY 49 1HA GLY 49 11.544 -1.528 1.564 372 H VAL 50 HN VAL 50 9.676 0.235 2.880 373 HA VAL 50 HA VAL 50 9.038 1.980 0.664 374 HB VAL 50 HB VAL 50 7.875 2.052 3.464 375 1HG1 VAL 50 2HG1 VAL 50 7.132 3.165 0.785 376 2HG1 VAL 50 1HG1 VAL 50 5.837 2.665 1.873 377 3HG1 VAL 50 3HG1 VAL 50 6.989 3.900 2.382 378 1HG2 VAL 50 2HG2 VAL 50 7.605 0.093 1.248 379 2HG2 VAL 50 1HG2 VAL 50 7.337 -0.120 2.977 380 3HG2 VAL 50 3HG2 VAL 50 6.092 0.628 1.978 381 H VAL 51 HN VAL 51 10.418 2.478 3.894 382 HA VAL 51 HA VAL 51 10.441 5.341 3.823 383 HB VAL 51 HB VAL 51 12.406 3.514 5.237 384 1HG1 VAL 51 2HG1 VAL 51 11.566 6.397 5.565 385 2HG1 VAL 51 1HG1 VAL 51 12.319 5.496 6.880 386 3HG1 VAL 51 3HG1 VAL 51 13.194 5.749 5.369 387 1HG2 VAL 51 3HG2 VAL 51 9.548 4.190 5.734 388 2HG2 VAL 51 2HG2 VAL 51 10.451 2.738 6.165 389 3HG2 VAL 51 1HG2 VAL 51 10.616 4.200 7.137 390 H SER 52 HN SER 52 12.586 2.901 2.487 391 HA SER 52 HA SER 52 14.802 4.653 1.917 392 1HB SER 52 2HB SER 52 15.655 2.860 0.585 393 2HB SER 52 1HB SER 52 14.812 2.096 1.930 394 HG SER 52 HG SER 52 13.866 1.090 0.314 395 H LEU 53 HN LEU 53 11.809 3.872 0.241 396 HA LEU 53 HA LEU 53 12.533 5.033 -2.300 397 1HB LEU 53 2HB LEU 53 9.772 4.715 -1.084 398 2HB LEU 53 1HB LEU 53 10.141 4.948 -2.792 399 HG LEU 53 HG LEU 53 11.164 2.609 -1.162 400 1HD1 LEU 53 1HD1 LEU 53 8.691 2.573 -1.333 401 2HD1 LEU 53 3HD1 LEU 53 8.820 2.734 -3.085 402 3HD1 LEU 53 2HD1 LEU 53 9.426 1.283 -2.285 403 1HD2 LEU 53 2HD2 LEU 53 12.481 3.215 -3.171 404 2HD2 LEU 53 1HD2 LEU 53 11.657 1.671 -3.390 405 3HD2 LEU 53 3HD2 LEU 53 11.018 3.129 -4.150 406 H GLY 54 HN GLY 54 10.166 6.289 0.076 407 1HA GLY 54 2HA GLY 54 10.292 8.529 1.024 408 2HA GLY 54 1HA GLY 54 11.303 9.010 -0.339 409 H ILE 55 HN ILE 55 8.154 7.319 -0.234 410 HA ILE 55 HA ILE 55 7.107 8.739 -2.493 411 HB ILE 55 HB ILE 55 5.563 7.363 -0.269 412 1HG1 ILE 55 2HG1 ILE 55 6.163 6.075 -2.901 413 2HG1 ILE 55 1HG1 ILE 55 7.458 6.133 -1.704 414 1HG2 ILE 55 2HG2 ILE 55 4.883 8.348 -3.031 415 2HG2 ILE 55 1HG2 ILE 55 4.016 6.973 -2.346 416 3HG2 ILE 55 3HG2 ILE 55 3.974 8.537 -1.532 417 1HD1 ILE 55 1HD1 ILE 55 5.886 5.124 -0.034 418 2HD1 ILE 55 3HD1 ILE 55 4.695 4.948 -1.322 419 3HD1 ILE 55 2HD1 ILE 55 6.218 4.064 -1.404 420 H ALA 56 HN ALA 56 5.364 10.340 -2.476 421 HA ALA 56 HA ALA 56 5.190 11.931 0.041 422 1HB ALA 56 1HB ALA 56 6.780 12.696 -2.056 423 2HB ALA 56 3HB ALA 56 5.268 13.513 -2.451 424 3HB ALA 56 2HB ALA 56 6.054 13.813 -0.901 425 H LYS 57 HN LYS 57 3.544 13.932 -0.765 426 HA LYS 57 HA LYS 57 1.024 12.502 -1.244 427 1HB LYS 57 2HB LYS 57 0.004 14.758 -0.869 428 2HB LYS 57 1HB LYS 57 1.049 14.245 0.455 429 1HG LYS 57 2HG LYS 57 2.797 15.693 -0.207 430 2HG LYS 57 1HG LYS 57 2.113 15.922 -1.817 431 1HD LYS 57 2HD LYS 57 0.394 16.716 0.479 432 2HD LYS 57 1HD LYS 57 1.804 17.729 0.164 433 1HE LYS 57 2HE LYS 57 0.023 16.919 -2.116 434 2HE LYS 57 1HE LYS 57 -0.454 18.255 -1.068 435 1HZ LYS 57 1HZ LYS 57 1.927 19.077 -1.481 436 2HZ LYS 57 3HZ LYS 57 1.911 18.025 -2.812 437 3HZ LYS 57 2HZ LYS 57 0.775 19.284 -2.712 438 H GLY 58 HN GLY 58 -0.401 12.959 -3.005 439 1HA GLY 58 2HA GLY 58 -0.989 13.640 -5.184 440 2HA GLY 58 1HA GLY 58 0.366 14.769 -5.148 441 H ALA 59 HN ALA 59 0.291 11.217 -4.785 442 HA ALA 59 HA ALA 59 2.018 11.035 -7.220 443 1HB ALA 59 1HB ALA 59 3.047 10.702 -4.757 444 2HB ALA 59 3HB ALA 59 2.434 9.069 -5.020 445 3HB ALA 59 2HB ALA 59 3.603 9.763 -6.143 446 H GLU 60 HN GLU 60 2.160 8.515 -7.789 447 HA GLU 60 HA GLU 60 -0.591 7.367 -7.532 448 1HB GLU 60 2HB GLU 60 1.174 7.240 -9.996 449 2HB GLU 60 1HB GLU 60 -0.476 6.633 -9.847 450 1HG GLU 60 2HG GLU 60 -0.981 9.134 -9.127 451 2HG GLU 60 1HG GLU 60 0.494 9.460 -10.040 452 H ILE 61 HN ILE 61 -0.679 5.085 -7.387 453 HA ILE 61 HA ILE 61 1.901 3.611 -7.358 454 HB ILE 61 HB ILE 61 1.239 2.536 -5.186 455 1HG1 ILE 61 2HG1 ILE 61 -0.779 4.802 -5.084 456 2HG1 ILE 61 1HG1 ILE 61 -1.193 3.114 -5.387 457 1HG2 ILE 61 1HG2 ILE 61 1.636 5.541 -5.242 458 2HG2 ILE 61 3HG2 ILE 61 1.795 4.557 -3.786 459 3HG2 ILE 61 2HG2 ILE 61 2.891 4.306 -5.146 460 1HD1 ILE 61 1HD1 ILE 61 0.186 2.710 -3.164 461 2HD1 ILE 61 3HD1 ILE 61 -0.212 4.401 -2.864 462 3HD1 ILE 61 2HD1 ILE 61 -1.501 3.218 -3.087 463 H THR 62 HN THR 62 1.580 1.267 -7.496 464 HA THR 62 HA THR 62 -1.163 0.475 -8.373 465 HB THR 62 HB THR 62 1.279 -0.656 -9.712 466 HG1 THR 62 HG1 THR 62 1.486 1.559 -9.960 467 1HG2 THR 62 1HG2 THR 62 -1.660 -0.414 -10.247 468 2HG2 THR 62 3HG2 THR 62 -0.551 -0.566 -11.610 469 3HG2 THR 62 2HG2 THR 62 -0.614 -1.828 -10.379 470 H ILE 63 HN ILE 63 -1.780 -0.957 -6.828 471 HA ILE 63 HA ILE 63 0.222 -2.757 -5.594 472 HB ILE 63 HB ILE 63 -2.727 -2.317 -5.006 473 1HG1 ILE 63 2HG1 ILE 63 -0.247 -1.459 -3.480 474 2HG1 ILE 63 1HG1 ILE 63 -1.197 -0.396 -4.520 475 1HG2 ILE 63 3HG2 ILE 63 -0.624 -4.083 -3.754 476 2HG2 ILE 63 2HG2 ILE 63 -1.989 -3.488 -2.808 477 3HG2 ILE 63 1HG2 ILE 63 -2.272 -4.497 -4.226 478 1HD1 ILE 63 3HD1 ILE 63 -3.213 -1.204 -3.049 479 2HD1 ILE 63 2HD1 ILE 63 -1.956 -1.638 -1.891 480 3HD1 ILE 63 1HD1 ILE 63 -2.127 0.036 -2.419 481 H SER 64 HN SER 64 -0.057 -5.070 -5.632 482 HA SER 64 HA SER 64 -2.072 -6.191 -7.477 483 1HB SER 64 2HB SER 64 -0.017 -7.516 -8.514 484 2HB SER 64 1HB SER 64 -0.495 -5.945 -9.153 485 HG SER 64 HG SER 64 1.838 -6.541 -8.306 486 H ALA 65 HN ALA 65 -2.935 -7.700 -6.132 487 HA ALA 65 HA ALA 65 -1.208 -9.178 -4.239 488 1HB ALA 65 2HB ALA 65 -3.440 -8.331 -3.518 489 2HB ALA 65 1HB ALA 65 -4.199 -9.376 -4.719 490 3HB ALA 65 3HB ALA 65 -3.312 -10.083 -3.370 491 H SER 66 HN SER 66 -0.392 -11.167 -4.747 492 HA SER 66 HA SER 66 -1.816 -12.814 -6.780 493 1HB SER 66 2HB SER 66 0.680 -11.474 -7.183 494 2HB SER 66 1HB SER 66 0.994 -13.206 -7.130 495 HG SER 66 HG SER 66 -0.495 -11.693 -8.927 496 H GLY 67 HN GLY 67 -2.433 -14.473 -5.442 497 1HA GLY 67 2HA GLY 67 -0.602 -16.455 -4.609 498 2HA GLY 67 1HA GLY 67 -0.921 -15.436 -3.205 499 H ALA 68 HN ALA 68 -2.349 -16.536 -1.942 500 HA ALA 68 HA ALA 68 -4.471 -18.176 -3.180 501 1HB ALA 68 1HB ALA 68 -3.357 -17.830 -0.423 502 2HB ALA 68 3HB ALA 68 -5.009 -18.427 -0.585 503 3HB ALA 68 2HB ALA 68 -3.674 -19.311 -1.325 504 H ASP 69 HN ASP 69 -4.658 -15.948 -0.394 505 HA ASP 69 HA ASP 69 -7.329 -15.090 -1.328 506 1HB ASP 69 2HB ASP 69 -7.372 -13.858 0.878 507 2HB ASP 69 1HB ASP 69 -7.178 -15.603 1.028 508 H GLU 70 HN GLU 70 -5.569 -14.197 -3.135 509 HA GLU 70 HA GLU 70 -4.354 -11.654 -2.557 510 1HB GLU 70 2HB GLU 70 -4.181 -11.427 -5.016 511 2HB GLU 70 1HB GLU 70 -3.653 -13.021 -4.479 512 1HG GLU 70 2HG GLU 70 -5.882 -13.944 -5.056 513 2HG GLU 70 1HG GLU 70 -6.383 -12.351 -5.622 514 H ASN 71 HN ASN 71 -7.577 -12.616 -3.572 515 HA ASN 71 HA ASN 71 -8.432 -9.941 -4.325 516 1HB ASN 71 2HB ASN 71 -9.813 -12.568 -3.839 517 2HB ASN 71 1HB ASN 71 -10.764 -11.090 -3.996 518 1HD2 ASN 71 2HD2 ASN 71 -8.876 -12.640 -7.278 519 2HD2 ASN 71 1HD2 ASN 71 -8.530 -13.249 -5.732 520 H ASP 72 HN ASP 72 -8.634 -11.921 -1.395 521 HA ASP 72 HA ASP 72 -10.293 -10.025 0.047 522 1HB ASP 72 2HB ASP 72 -8.530 -12.252 1.109 523 2HB ASP 72 1HB ASP 72 -9.798 -11.417 2.007 524 H ALA 73 HN ALA 73 -6.857 -10.378 -0.496 525 HA ALA 73 HA ALA 73 -6.094 -8.685 1.761 526 1HB ALA 73 1HB ALA 73 -4.702 -10.535 0.511 527 2HB ALA 73 3HB ALA 73 -4.291 -9.209 -0.576 528 3HB ALA 73 2HB ALA 73 -3.893 -9.099 1.138 529 H LEU 74 HN LEU 74 -6.348 -8.243 -1.785 530 HA LEU 74 HA LEU 74 -5.333 -5.579 -1.803 531 1HB LEU 74 2HB LEU 74 -6.293 -5.371 -4.024 532 2HB LEU 74 1HB LEU 74 -5.603 -6.978 -3.841 533 HG LEU 74 HG LEU 74 -8.060 -7.597 -3.074 534 1HD1 LEU 74 2HD1 LEU 74 -8.400 -4.893 -3.734 535 2HD1 LEU 74 1HD1 LEU 74 -9.041 -5.761 -5.127 536 3HD1 LEU 74 3HD1 LEU 74 -9.684 -6.081 -3.517 537 1HD2 LEU 74 3HD2 LEU 74 -6.823 -8.499 -5.036 538 2HD2 LEU 74 2HD2 LEU 74 -8.531 -8.243 -5.393 539 3HD2 LEU 74 1HD2 LEU 74 -7.326 -7.094 -5.975 540 H ASN 75 HN ASN 75 -8.684 -6.764 -1.428 541 HA ASN 75 HA ASN 75 -9.766 -4.067 -1.326 542 1HB ASN 75 2HB ASN 75 -11.871 -5.113 -0.682 543 2HB ASN 75 1HB ASN 75 -11.146 -6.036 -1.995 544 1HD2 ASN 75 2HD2 ASN 75 -12.113 -8.024 1.269 545 2HD2 ASN 75 1HD2 ASN 75 -12.821 -6.573 0.746 546 H ALA 76 HN ALA 76 -8.396 -6.282 1.008 547 HA ALA 76 HA ALA 76 -9.464 -5.124 3.395 548 1HB ALA 76 3HB ALA 76 -8.124 -7.298 3.160 549 2HB ALA 76 2HB ALA 76 -6.682 -6.283 3.129 550 3HB ALA 76 1HB ALA 76 -7.728 -6.286 4.550 551 H LEU 77 HN LEU 77 -6.213 -4.609 1.951 552 HA LEU 77 HA LEU 77 -5.574 -2.347 3.568 553 1HB LEU 77 2HB LEU 77 -4.580 -2.923 0.764 554 2HB LEU 77 1HB LEU 77 -3.778 -1.939 1.988 555 HG LEU 77 HG LEU 77 -4.342 -4.498 3.157 556 1HD1 LEU 77 2HD1 LEU 77 -4.226 -4.902 0.483 557 2HD1 LEU 77 1HD1 LEU 77 -2.507 -4.974 0.872 558 3HD1 LEU 77 3HD1 LEU 77 -3.637 -6.075 1.662 559 1HD2 LEU 77 1HD2 LEU 77 -2.487 -2.821 3.641 560 2HD2 LEU 77 3HD2 LEU 77 -1.977 -4.506 3.559 561 3HD2 LEU 77 2HD2 LEU 77 -1.676 -3.429 2.198 562 H GLU 78 HN GLU 78 -7.449 -2.645 0.608 563 HA GLU 78 HA GLU 78 -7.367 0.058 -0.270 564 1HB GLU 78 2HB GLU 78 -8.347 -1.788 -1.595 565 2HB GLU 78 1HB GLU 78 -9.671 -1.909 -0.442 566 1HG GLU 78 2HG GLU 78 -9.319 0.833 -1.384 567 2HG GLU 78 1HG GLU 78 -9.603 -0.282 -2.719 568 H GLU 79 HN GLU 79 -9.876 -1.502 1.770 569 HA GLU 79 HA GLU 79 -11.258 0.912 2.399 570 1HB GLU 79 2HB GLU 79 -12.193 -0.400 4.312 571 2HB GLU 79 1HB GLU 79 -12.285 -1.264 2.777 572 1HG GLU 79 2HG GLU 79 -10.408 -2.637 3.325 573 2HG GLU 79 1HG GLU 79 -9.986 -1.627 4.708 574 H THR 80 HN THR 80 -8.366 -0.545 3.750 575 HA THR 80 HA THR 80 -8.318 0.959 6.209 576 HB THR 80 HB THR 80 -5.863 0.011 4.725 577 HG1 THR 80 HG1 THR 80 -7.710 -1.498 6.258 578 1HG2 THR 80 2HG2 THR 80 -6.031 1.317 7.049 579 2HG2 THR 80 1HG2 THR 80 -6.346 -0.309 7.653 580 3HG2 THR 80 3HG2 THR 80 -4.845 0.037 6.794 581 H MET 81 HN MET 81 -7.262 1.604 2.920 582 HA MET 81 HA MET 81 -5.728 3.979 3.535 583 1HB MET 81 2HB MET 81 -6.702 2.577 1.116 584 2HB MET 81 1HB MET 81 -6.508 4.319 0.934 585 1HG MET 81 2HG MET 81 -4.264 3.062 2.358 586 2HG MET 81 1HG MET 81 -4.476 2.434 0.726 587 1HE MET 81 1HE MET 81 -2.209 3.092 0.582 588 2HE MET 81 3HE MET 81 -2.635 3.709 -1.020 589 3HE MET 81 2HE MET 81 -1.615 4.663 0.054 590 H LYS 82 HN LYS 82 -9.110 3.298 2.877 591 HA LYS 82 HA LYS 82 -9.839 6.115 2.568 592 1HB LYS 82 2HB LYS 82 -11.274 3.493 2.576 593 2HB LYS 82 1HB LYS 82 -12.210 4.943 2.945 594 1HG LYS 82 2HG LYS 82 -11.963 5.810 0.831 595 2HG LYS 82 1HG LYS 82 -10.366 5.094 0.611 596 1HD LYS 82 2HD LYS 82 -11.524 3.688 -0.780 597 2HD LYS 82 1HD LYS 82 -11.843 2.838 0.733 598 1HE LYS 82 2HE LYS 82 -13.881 4.495 0.902 599 2HE LYS 82 1HE LYS 82 -13.654 4.644 -0.841 600 1HZ LYS 82 2HZ LYS 82 -13.703 2.167 -0.926 601 2HZ LYS 82 1HZ LYS 82 -14.185 2.170 0.704 602 3HZ LYS 82 3HZ LYS 82 -15.175 2.887 -0.473 603 H SER 83 HN SER 83 -9.552 3.835 5.199 604 HA SER 83 HA SER 83 -11.278 5.261 7.044 605 1HB SER 83 2HB SER 83 -9.836 3.864 8.739 606 2HB SER 83 1HB SER 83 -10.964 3.034 7.670 607 HG SER 83 HG SER 83 -8.707 2.230 7.790 608 H GLU 84 HN GLU 84 -7.739 4.767 7.276 609 HA GLU 84 HA GLU 84 -7.335 7.011 9.003 610 1HB GLU 84 2HB GLU 84 -5.428 5.510 7.187 611 2HB GLU 84 1HB GLU 84 -4.913 6.747 8.334 612 1HG GLU 84 2HG GLU 84 -4.733 5.014 9.796 613 2HG GLU 84 1HG GLU 84 -6.485 5.162 9.928 614 H GLY 85 HN GLY 85 -7.473 6.705 5.510 615 1HA GLY 85 2HA GLY 85 -7.854 8.503 3.986 616 2HA GLY 85 1HA GLY 85 -7.460 9.646 5.272 617 H LEU 86 HN LEU 86 -5.595 6.868 4.051 618 HA LEU 86 HA LEU 86 -3.179 8.518 3.936 619 1HB LEU 86 2HB LEU 86 -3.721 5.622 3.239 620 2HB LEU 86 1HB LEU 86 -2.130 6.375 3.131 621 HG LEU 86 HG LEU 86 -3.814 6.292 5.651 622 1HD1 LEU 86 3HD1 LEU 86 -1.588 4.535 4.620 623 2HD1 LEU 86 2HD1 LEU 86 -1.902 4.697 6.348 624 3HD1 LEU 86 1HD1 LEU 86 -3.150 4.052 5.281 625 1HD2 LEU 86 3HD2 LEU 86 -1.044 7.287 4.964 626 2HD2 LEU 86 2HD2 LEU 86 -2.342 8.147 5.794 627 3HD2 LEU 86 1HD2 LEU 86 -1.475 6.850 6.617 628 H GLY 87 HN GLY 87 -5.478 7.100 1.664 629 1HA GLY 87 2HA GLY 87 -4.955 8.966 -0.403 630 2HA GLY 87 1HA GLY 87 -3.982 7.532 -0.734 631 H GLU 88 HN GLU 88 -6.251 8.523 -2.291 632 HA GLU 88 HA GLU 88 -7.938 6.070 -2.155 633 1HB GLU 88 2HB GLU 88 -9.938 7.492 -2.683 634 2HB GLU 88 1HB GLU 88 -9.264 7.802 -1.082 635 1HG GLU 88 2HG GLU 88 -7.900 9.671 -2.194 636 2HG GLU 88 1HG GLU 88 -8.970 9.473 -3.581 No H/Q in entry = 636 Start of MODEL 24 1 1H ALA 2 3HT ALA 2 -4.916 -9.653 -9.274 2 2H ALA 2 2HT ALA 2 -6.294 -10.644 -9.348 3 3H ALA 2 1HT ALA 2 -6.313 -9.102 -10.061 4 HA ALA 2 HA ALA 2 -7.488 -8.815 -8.083 5 1HB ALA 2 1HB ALA 2 -5.434 -10.735 -7.068 6 2HB ALA 2 3HB ALA 2 -6.129 -9.590 -5.922 7 3HB ALA 2 2HB ALA 2 -7.175 -10.710 -6.795 8 H GLN 3 HN GLN 3 -5.319 -7.428 -9.570 9 HA GLN 3 HA GLN 3 -3.855 -5.985 -7.440 10 1HB GLN 3 2HB GLN 3 -2.816 -4.766 -9.385 11 2HB GLN 3 1HB GLN 3 -2.558 -6.508 -9.411 12 1HG GLN 3 2HG GLN 3 -4.021 -6.839 -11.184 13 2HG GLN 3 1HG GLN 3 -4.959 -5.391 -10.812 14 1HE2 GLN 3 2HE2 GLN 3 -2.482 -3.201 -12.372 15 2HE2 GLN 3 1HE2 GLN 3 -3.432 -3.273 -10.968 16 H LYS 4 HN LYS 4 -4.037 -3.677 -7.194 17 HA LYS 4 HA LYS 4 -6.389 -2.392 -8.484 18 1HB LYS 4 2HB LYS 4 -6.766 -3.489 -6.063 19 2HB LYS 4 1HB LYS 4 -6.074 -1.951 -5.553 20 1HG LYS 4 2HG LYS 4 -7.756 -0.770 -6.977 21 2HG LYS 4 1HG LYS 4 -8.492 -2.332 -7.340 22 1HD LYS 4 2HD LYS 4 -8.498 -2.563 -4.694 23 2HD LYS 4 1HD LYS 4 -8.470 -0.800 -4.769 24 1HE LYS 4 2HE LYS 4 -10.403 -2.211 -6.549 25 2HE LYS 4 1HE LYS 4 -10.768 -2.178 -4.824 26 1HZ LYS 4 1HZ LYS 4 -10.304 0.289 -4.971 27 2HZ LYS 4 3HZ LYS 4 -10.379 0.112 -6.656 28 3HZ LYS 4 2HZ LYS 4 -11.736 -0.257 -5.704 29 H THR 5 HN THR 5 -6.243 -0.088 -8.515 30 HA THR 5 HA THR 5 -3.484 0.925 -8.077 31 HB THR 5 HB THR 5 -5.756 2.399 -9.421 32 HG1 THR 5 HG1 THR 5 -3.855 0.699 -10.652 33 1HG2 THR 5 1HG2 THR 5 -3.580 3.546 -8.746 34 2HG2 THR 5 3HG2 THR 5 -2.778 2.511 -9.928 35 3HG2 THR 5 2HG2 THR 5 -4.010 3.659 -10.453 36 H PHE 6 HN PHE 6 -3.135 2.904 -6.906 37 HA PHE 6 HA PHE 6 -5.410 3.910 -5.281 38 1HB PHE 6 2HB PHE 6 -2.769 2.909 -4.176 39 2HB PHE 6 1HB PHE 6 -3.933 3.852 -3.248 40 HD1 PHE 6 2HD PHE 6 -6.127 2.922 -2.646 41 HD2 PHE 6 1HD PHE 6 -3.220 0.598 -4.790 42 HE1 PHE 6 2HE PHE 6 -7.400 0.856 -2.135 43 HE2 PHE 6 1HE PHE 6 -4.493 -1.467 -4.279 44 HZ PHE 6 HZ PHE 6 -6.584 -1.338 -2.950 45 H LYS 7 HN LYS 7 -5.129 6.086 -4.615 46 HA LYS 7 HA LYS 7 -2.835 7.486 -5.931 47 1HB LYS 7 2HB LYS 7 -5.707 8.182 -5.516 48 2HB LYS 7 1HB LYS 7 -4.539 9.500 -5.433 49 1HG LYS 7 2HG LYS 7 -4.300 7.561 -7.695 50 2HG LYS 7 1HG LYS 7 -5.604 8.748 -7.757 51 1HD LYS 7 2HD LYS 7 -3.890 10.542 -7.311 52 2HD LYS 7 1HD LYS 7 -2.638 9.311 -7.489 53 1HE LYS 7 2HE LYS 7 -3.424 8.827 -9.773 54 2HE LYS 7 1HE LYS 7 -4.694 10.039 -9.599 55 1HZ LYS 7 2HZ LYS 7 -1.861 10.743 -9.169 56 2HZ LYS 7 1HZ LYS 7 -2.516 10.709 -10.737 57 3HZ LYS 7 3HZ LYS 7 -3.164 11.758 -9.571 58 H VAL 8 HN VAL 8 -1.309 8.116 -4.505 59 HA VAL 8 HA VAL 8 -1.798 8.184 -1.643 60 HB VAL 8 HB VAL 8 0.594 9.324 -3.115 61 1HG1 VAL 8 1HG1 VAL 8 0.312 9.818 -0.669 62 2HG1 VAL 8 3HG1 VAL 8 0.327 8.080 -0.362 63 3HG1 VAL 8 2HG1 VAL 8 1.755 8.871 -1.030 64 1HG2 VAL 8 2HG2 VAL 8 0.032 6.472 -2.233 65 2HG2 VAL 8 1HG2 VAL 8 0.246 7.031 -3.892 66 3HG2 VAL 8 3HG2 VAL 8 1.606 7.060 -2.769 67 H THR 9 HN THR 9 -2.938 9.825 -0.741 68 HA THR 9 HA THR 9 -2.370 12.602 -1.695 69 HB THR 9 HB THR 9 -5.054 11.921 -0.560 70 HG1 THR 9 HG1 THR 9 -5.712 10.997 -2.372 71 1HG2 THR 9 1HG2 THR 9 -4.067 13.796 -2.729 72 2HG2 THR 9 3HG2 THR 9 -5.732 13.687 -2.157 73 3HG2 THR 9 2HG2 THR 9 -4.461 14.248 -1.070 74 H ALA 10 HN ALA 10 -1.539 10.776 0.722 75 HA ALA 10 HA ALA 10 -2.640 12.171 3.025 76 1HB ALA 10 2HB ALA 10 -0.691 9.984 2.539 77 2HB ALA 10 1HB ALA 10 -0.439 10.929 4.007 78 3HB ALA 10 3HB ALA 10 -1.973 10.101 3.746 79 H ASP 11 HN ASP 11 -1.717 13.895 4.122 80 HA ASP 11 HA ASP 11 0.078 15.643 2.778 81 1HB ASP 11 2HB ASP 11 -1.065 15.446 5.517 82 2HB ASP 11 1HB ASP 11 0.390 16.429 5.345 83 H SER 12 HN SER 12 0.683 13.276 5.374 84 HA SER 12 HA SER 12 3.534 13.850 5.482 85 1HB SER 12 2HB SER 12 3.492 11.550 6.726 86 2HB SER 12 1HB SER 12 2.713 12.938 7.481 87 HG SER 12 HG SER 12 0.797 12.087 7.093 88 H GLY 13 HN GLY 13 1.469 11.642 3.698 89 1HA GLY 13 2HA GLY 13 2.132 10.653 1.599 90 2HA GLY 13 1HA GLY 13 3.821 10.833 2.077 91 H ILE 14 HN ILE 14 3.848 8.482 1.366 92 HA ILE 14 HA ILE 14 2.713 6.650 3.419 93 HB ILE 14 HB ILE 14 4.048 5.976 0.781 94 1HG1 ILE 14 2HG1 ILE 14 1.096 6.075 1.483 95 2HG1 ILE 14 1HG1 ILE 14 1.937 7.312 0.549 96 1HG2 ILE 14 3HG2 ILE 14 2.792 4.417 2.995 97 2HG2 ILE 14 2HG2 ILE 14 2.473 3.877 1.348 98 3HG2 ILE 14 1HG2 ILE 14 4.133 3.981 1.935 99 1HD1 ILE 14 3HD1 ILE 14 2.131 4.440 -0.305 100 2HD1 ILE 14 2HD1 ILE 14 0.683 5.366 -0.703 101 3HD1 ILE 14 1HD1 ILE 14 2.260 5.903 -1.281 102 1HN HIP 15 HN HIP 15 4.326 7.308 5.026 103 HA HIP 15 HA HIP 15 7.068 6.341 4.432 104 1HB HIP 15 1HB HIP 15 6.902 8.692 5.162 105 2HB HIP 15 2HB HIP 15 7.831 7.726 6.286 106 HD2 HIP 15 2HD HIP 15 4.013 8.830 6.140 107 HE2 HIP 15 2HE HIP 15 3.367 9.404 8.589 108 HE1 HIP 15 1HE HIP 15 5.336 9.027 10.131 109 H ALA 16 HN ALA 16 7.819 6.002 7.197 110 HA ALA 16 HA ALA 16 7.261 3.284 7.566 111 1HB ALA 16 1HB ALA 16 8.933 5.021 8.751 112 2HB ALA 16 3HB ALA 16 7.723 4.877 10.026 113 3HB ALA 16 2HB ALA 16 8.558 3.440 9.436 114 H ARG 17 HN ARG 17 5.446 6.048 8.944 115 HA ARG 17 HA ARG 17 3.890 4.567 10.795 116 1HB ARG 17 2HB ARG 17 3.550 7.156 9.379 117 2HB ARG 17 1HB ARG 17 2.112 6.457 10.115 118 1HG ARG 17 2HG ARG 17 4.480 6.328 11.853 119 2HG ARG 17 1HG ARG 17 4.018 7.976 11.435 120 1HD ARG 17 2HD ARG 17 2.151 7.891 12.709 121 2HD ARG 17 1HD ARG 17 1.719 6.285 12.122 122 HE ARG 17 HE ARG 17 3.014 5.322 13.909 123 1HH1 ARG 17 HH21 ARG 17 5.137 7.551 13.831 124 2HH1 ARG 17 HH22 ARG 17 4.902 8.268 15.390 125 1HH2 ARG 17 HH11 ARG 17 1.821 6.765 15.911 126 2HH2 ARG 17 HH12 ARG 17 3.024 7.823 16.568 127 HA PRO 18 HA PRO 18 0.532 3.802 7.482 128 1HB PRO 18 2HB PRO 18 1.110 4.445 4.866 129 2HB PRO 18 1HB PRO 18 0.264 5.525 5.988 130 1HG PRO 18 2HG PRO 18 3.119 5.612 5.083 131 2HG PRO 18 1HG PRO 18 2.036 6.948 5.511 132 1HD PRO 18 2HD PRO 18 4.012 5.961 7.195 133 2HD PRO 18 1HD PRO 18 2.567 6.831 7.746 134 H ALA 19 HN ALA 19 3.901 3.225 7.002 135 HA ALA 19 HA ALA 19 3.577 0.957 5.186 136 1HB ALA 19 2HB ALA 19 5.673 2.469 5.482 137 2HB ALA 19 1HB ALA 19 6.003 1.477 6.901 138 3HB ALA 19 3HB ALA 19 5.924 0.733 5.304 139 H THR 20 HN THR 20 3.604 1.521 8.638 140 HA THR 20 HA THR 20 3.979 -1.300 9.326 141 HB THR 20 HB THR 20 2.835 0.679 11.256 142 HG1 THR 20 HG1 THR 20 5.475 0.691 10.226 143 1HG2 THR 20 2HG2 THR 20 3.490 -1.767 11.725 144 2HG2 THR 20 1HG2 THR 20 5.160 -1.217 11.584 145 3HG2 THR 20 3HG2 THR 20 4.113 -0.543 12.832 146 H VAL 21 HN VAL 21 1.331 0.940 8.787 147 HA VAL 21 HA VAL 21 -0.747 -0.703 9.956 148 HB VAL 21 HB VAL 21 -1.019 1.344 7.759 149 1HG1 VAL 21 3HG1 VAL 21 -2.980 -0.136 8.232 150 2HG1 VAL 21 2HG1 VAL 21 -2.968 0.445 9.897 151 3HG1 VAL 21 1HG1 VAL 21 -3.300 1.564 8.575 152 1HG2 VAL 21 1HG2 VAL 21 0.141 1.912 10.137 153 2HG2 VAL 21 3HG2 VAL 21 -0.906 3.054 9.296 154 3HG2 VAL 21 2HG2 VAL 21 -1.553 2.060 10.600 155 H LEU 22 HN LEU 22 0.497 -0.206 6.692 156 HA LEU 22 HA LEU 22 -1.318 -2.013 5.394 157 1HB LEU 22 2HB LEU 22 1.397 -0.934 4.612 158 2HB LEU 22 1HB LEU 22 0.356 -1.861 3.525 159 HG LEU 22 HG LEU 22 -0.494 0.693 4.929 160 1HD1 LEU 22 2HD1 LEU 22 0.761 0.155 2.241 161 2HD1 LEU 22 1HD1 LEU 22 -0.360 1.504 2.435 162 3HD1 LEU 22 3HD1 LEU 22 1.119 1.442 3.394 163 1HD2 LEU 22 2HD2 LEU 22 -1.718 -1.049 2.764 164 2HD2 LEU 22 1HD2 LEU 22 -2.389 -0.688 4.355 165 3HD2 LEU 22 3HD2 LEU 22 -2.290 0.578 3.134 166 H VAL 23 HN VAL 23 2.127 -2.401 6.340 167 HA VAL 23 HA VAL 23 2.462 -5.066 5.501 168 HB VAL 23 HB VAL 23 4.308 -3.639 6.334 169 1HG1 VAL 23 3HG1 VAL 23 3.002 -2.692 8.259 170 2HG1 VAL 23 2HG1 VAL 23 3.206 -4.231 9.094 171 3HG1 VAL 23 1HG1 VAL 23 4.615 -3.246 8.700 172 1HG2 VAL 23 3HG2 VAL 23 4.153 -6.314 6.491 173 2HG2 VAL 23 2HG2 VAL 23 5.566 -5.429 7.064 174 3HG2 VAL 23 1HG2 VAL 23 4.335 -5.963 8.209 175 H GLN 24 HN GLN 24 0.784 -3.832 8.328 176 HA GLN 24 HA GLN 24 0.607 -6.356 9.730 177 1HB GLN 24 2HB GLN 24 -0.878 -3.738 9.895 178 2HB GLN 24 1HB GLN 24 -1.408 -5.132 10.833 179 1HG GLN 24 2HG GLN 24 1.433 -4.893 11.132 180 2HG GLN 24 1HG GLN 24 0.718 -3.309 11.423 181 1HE2 GLN 24 2HE2 GLN 24 0.623 -5.699 14.476 182 2HE2 GLN 24 1HE2 GLN 24 1.843 -5.525 13.309 183 H THR 25 HN THR 25 -1.503 -4.654 7.426 184 HA THR 25 HA THR 25 -3.656 -6.571 7.558 185 HB THR 25 HB THR 25 -2.965 -4.756 5.233 186 HG1 THR 25 HG1 THR 25 -3.283 -3.236 6.632 187 1HG2 THR 25 2HG2 THR 25 -5.377 -6.282 6.146 188 2HG2 THR 25 1HG2 THR 25 -5.604 -4.764 5.277 189 3HG2 THR 25 3HG2 THR 25 -4.726 -6.091 4.518 190 H ALA 26 HN ALA 26 -1.369 -5.975 4.861 191 HA ALA 26 HA ALA 26 -1.921 -8.324 3.411 192 1HB ALA 26 1HB ALA 26 0.614 -6.689 3.641 193 2HB ALA 26 3HB ALA 26 0.434 -8.021 2.499 194 3HB ALA 26 2HB ALA 26 -0.613 -6.607 2.376 195 H SER 27 HN SER 27 -0.027 -7.927 6.326 196 HA SER 27 HA SER 27 1.587 -10.272 6.178 197 1HB SER 27 2HB SER 27 2.081 -8.743 7.931 198 2HB SER 27 1HB SER 27 0.415 -8.732 8.500 199 HG SER 27 HG SER 27 2.376 -10.755 8.718 200 H LYS 28 HN LYS 28 -1.703 -9.787 7.459 201 HA LYS 28 HA LYS 28 -2.103 -12.507 8.289 202 1HB LYS 28 2HB LYS 28 -4.178 -10.478 7.398 203 2HB LYS 28 1HB LYS 28 -4.481 -11.923 8.364 204 1HG LYS 28 2HG LYS 28 -3.565 -11.013 10.268 205 2HG LYS 28 1HG LYS 28 -2.404 -10.037 9.371 206 1HD LYS 28 2HD LYS 28 -3.789 -8.307 9.887 207 2HD LYS 28 1HD LYS 28 -4.773 -8.923 8.559 208 1HE LYS 28 2HE LYS 28 -6.409 -9.024 10.144 209 2HE LYS 28 1HE LYS 28 -5.613 -10.530 10.600 210 1HZ LYS 28 2HZ LYS 28 -4.645 -7.988 11.717 211 2HZ LYS 28 1HZ LYS 28 -6.042 -8.702 12.369 212 3HZ LYS 28 3HZ LYS 28 -4.574 -9.552 12.377 213 H TYR 29 HN TYR 29 -2.373 -10.869 5.195 214 HA TYR 29 HA TYR 29 -3.708 -13.190 3.947 215 1HB TYR 29 2HB TYR 29 -2.685 -10.600 2.731 216 2HB TYR 29 1HB TYR 29 -3.646 -11.820 1.890 217 HD1 TYR 29 2HD TYR 29 -5.936 -12.446 2.907 218 HD2 TYR 29 1HD TYR 29 -3.750 -8.907 3.978 219 HE1 TYR 29 2HE TYR 29 -8.016 -11.431 3.798 220 HE2 TYR 29 1HE TYR 29 -5.830 -7.892 4.869 221 HH TYR 29 HH TYR 29 -7.996 -8.585 5.710 222 H ASP 30 HN ASP 30 -2.605 -14.785 2.923 223 HA ASP 30 HA ASP 30 0.331 -14.675 2.883 224 1HB ASP 30 2HB ASP 30 -1.740 -16.790 2.386 225 2HB ASP 30 1HB ASP 30 -0.087 -17.042 1.824 226 H ALA 31 HN ALA 31 -2.114 -13.768 0.704 227 HA ALA 31 HA ALA 31 -1.075 -14.656 -1.789 228 1HB ALA 31 1HB ALA 31 -2.863 -12.454 -0.880 229 2HB ALA 31 3HB ALA 31 -2.148 -12.286 -2.484 230 3HB ALA 31 2HB ALA 31 -3.139 -13.695 -2.102 231 H ASP 32 HN ASP 32 -0.050 -13.101 -3.428 232 HA ASP 32 HA ASP 32 2.300 -11.829 -2.137 233 1HB ASP 32 2HB ASP 32 1.727 -12.551 -5.027 234 2HB ASP 32 1HB ASP 32 3.221 -11.802 -4.462 235 H VAL 33 HN VAL 33 1.230 -9.895 -1.427 236 HA VAL 33 HA VAL 33 0.096 -8.133 -3.533 237 HB VAL 33 HB VAL 33 -0.498 -6.667 -1.573 238 1HG1 VAL 33 3HG1 VAL 33 -1.485 -9.390 -2.122 239 2HG1 VAL 33 2HG1 VAL 33 -1.922 -8.782 -0.525 240 3HG1 VAL 33 1HG1 VAL 33 -2.379 -7.877 -1.969 241 1HG2 VAL 33 2HG2 VAL 33 1.402 -8.293 -0.260 242 2HG2 VAL 33 1HG2 VAL 33 0.380 -7.058 0.471 243 3HG2 VAL 33 3HG2 VAL 33 -0.153 -8.737 0.436 244 H ASN 34 HN ASN 34 1.856 -7.310 -4.647 245 HA ASN 34 HA ASN 34 4.009 -5.999 -3.045 246 1HB ASN 34 2HB ASN 34 4.017 -6.691 -5.997 247 2HB ASN 34 1HB ASN 34 5.390 -6.146 -5.034 248 1HD2 ASN 34 2HD2 ASN 34 4.168 -10.043 -4.791 249 2HD2 ASN 34 1HD2 ASN 34 3.212 -8.899 -5.602 250 H LEU 35 HN LEU 35 4.179 -3.806 -3.091 251 HA LEU 35 HA LEU 35 2.213 -2.278 -4.684 252 1HB LEU 35 2HB LEU 35 2.634 -1.784 -2.251 253 2HB LEU 35 1HB LEU 35 4.261 -1.264 -2.689 254 HG LEU 35 HG LEU 35 2.049 -0.070 -4.269 255 1HD1 LEU 35 2HD1 LEU 35 1.566 -0.195 -1.605 256 2HD1 LEU 35 1HD1 LEU 35 2.564 1.258 -1.661 257 3HD1 LEU 35 3HD1 LEU 35 1.078 1.170 -2.607 258 1HD2 LEU 35 2HD2 LEU 35 4.701 0.364 -4.124 259 2HD2 LEU 35 1HD2 LEU 35 3.561 1.650 -4.522 260 3HD2 LEU 35 3HD2 LEU 35 4.173 1.492 -2.876 261 H GLU 36 HN GLU 36 2.880 -0.546 -6.105 262 HA GLU 36 HA GLU 36 5.718 -0.745 -7.040 263 1HB GLU 36 2HB GLU 36 4.057 -1.840 -8.594 264 2HB GLU 36 1HB GLU 36 3.301 -0.260 -8.805 265 1HG GLU 36 2HG GLU 36 4.782 -0.262 -10.594 266 2HG GLU 36 1HG GLU 36 5.779 0.495 -9.352 267 H TYR 37 HN TYR 37 6.690 1.231 -7.629 268 HA TYR 37 HA TYR 37 5.124 3.699 -7.745 269 1HB TYR 37 2HB TYR 37 5.358 3.279 -5.282 270 2HB TYR 37 1HB TYR 37 7.109 3.349 -5.480 271 HD1 TYR 37 1HD TYR 37 4.229 5.362 -6.817 272 HD2 TYR 37 2HD TYR 37 7.989 5.371 -4.739 273 HE1 TYR 37 1HE TYR 37 4.151 7.836 -6.688 274 HE2 TYR 37 2HE TYR 37 7.911 7.846 -4.610 275 HH TYR 37 HH TYR 37 6.243 9.637 -4.681 276 H ASN 38 HN ASN 38 6.093 4.483 -9.562 277 HA ASN 38 HA ASN 38 7.765 5.283 -10.996 278 1HB ASN 38 2HB ASN 38 8.316 6.316 -8.554 279 2HB ASN 38 1HB ASN 38 9.793 5.391 -8.825 280 1HD2 ASN 38 2HD2 ASN 38 8.981 8.631 -11.207 281 2HD2 ASN 38 1HD2 ASN 38 7.749 7.962 -10.250 282 H GLY 39 HN GLY 39 7.527 2.578 -11.126 283 1HA GLY 39 2HA GLY 39 8.684 0.675 -11.858 284 2HA GLY 39 1HA GLY 39 10.079 1.729 -12.097 285 H LYS 40 HN LYS 40 8.541 1.445 -8.960 286 HA LYS 40 HA LYS 40 10.891 -0.150 -8.010 287 1HB LYS 40 2HB LYS 40 9.405 1.994 -6.459 288 2HB LYS 40 1HB LYS 40 10.840 1.116 -5.931 289 1HG LYS 40 2HG LYS 40 11.780 2.069 -8.260 290 2HG LYS 40 1HG LYS 40 10.595 3.329 -7.909 291 1HD LYS 40 2HD LYS 40 12.436 4.167 -6.773 292 2HD LYS 40 1HD LYS 40 11.680 3.219 -5.493 293 1HE LYS 40 2HE LYS 40 13.342 1.435 -6.963 294 2HE LYS 40 1HE LYS 40 14.289 2.892 -6.658 295 1HZ LYS 40 3HZ LYS 40 12.790 1.356 -4.605 296 2HZ LYS 40 2HZ LYS 40 14.472 1.303 -4.843 297 3HZ LYS 40 1HZ LYS 40 13.730 2.739 -4.321 298 H THR 41 HN THR 41 9.864 -2.152 -7.928 299 HA THR 41 HA THR 41 7.219 -2.366 -6.626 300 HB THR 41 HB THR 41 8.823 -4.729 -7.548 301 HG1 THR 41 HG1 THR 41 7.938 -4.309 -9.646 302 1HG2 THR 41 1HG2 THR 41 5.956 -3.969 -7.168 303 2HG2 THR 41 3HG2 THR 41 6.346 -5.173 -8.395 304 3HG2 THR 41 2HG2 THR 41 6.791 -5.453 -6.713 305 H VAL 42 HN VAL 42 7.457 -2.164 -4.422 306 HA VAL 42 HA VAL 42 9.525 -3.871 -3.098 307 HB VAL 42 HB VAL 42 8.784 -2.449 -1.024 308 1HG1 VAL 42 3HG1 VAL 42 10.898 -2.331 -2.748 309 2HG1 VAL 42 2HG1 VAL 42 10.272 -0.685 -2.859 310 3HG1 VAL 42 1HG1 VAL 42 10.740 -1.348 -1.291 311 1HG2 VAL 42 3HG2 VAL 42 6.869 -1.382 -2.282 312 2HG2 VAL 42 2HG2 VAL 42 7.964 -0.232 -1.516 313 3HG2 VAL 42 1HG2 VAL 42 8.064 -0.523 -3.253 314 H ASN 43 HN ASN 43 8.874 -5.281 -1.431 315 HA ASN 43 HA ASN 43 6.246 -6.429 -1.717 316 1HB ASN 43 2HB ASN 43 8.468 -7.514 -0.864 317 2HB ASN 43 1HB ASN 43 7.988 -6.859 0.703 318 1HD2 ASN 43 2HD2 ASN 43 6.502 -10.329 0.074 319 2HD2 ASN 43 1HD2 ASN 43 8.078 -9.740 -0.155 320 H LEU 44 HN LEU 44 4.389 -6.005 -0.559 321 HA LEU 44 HA LEU 44 4.024 -3.587 0.845 322 1HB LEU 44 2HB LEU 44 2.259 -5.206 -0.117 323 2HB LEU 44 1HB LEU 44 2.417 -6.095 1.392 324 HG LEU 44 HG LEU 44 0.507 -4.440 1.327 325 1HD1 LEU 44 3HD1 LEU 44 2.172 -5.144 3.393 326 2HD1 LEU 44 2HD1 LEU 44 2.178 -3.384 3.499 327 3HD1 LEU 44 1HD1 LEU 44 0.654 -4.267 3.567 328 1HD2 LEU 44 2HD2 LEU 44 1.838 -2.668 0.076 329 2HD2 LEU 44 1HD2 LEU 44 0.933 -2.078 1.471 330 3HD2 LEU 44 3HD2 LEU 44 2.673 -2.337 1.593 331 H LYS 45 HN LYS 45 5.282 -6.646 1.954 332 HA LYS 45 HA LYS 45 5.113 -5.854 4.799 333 1HB LYS 45 2HB LYS 45 6.393 -8.301 3.534 334 2HB LYS 45 1HB LYS 45 6.056 -8.065 5.248 335 1HG LYS 45 2HG LYS 45 3.837 -8.536 5.011 336 2HG LYS 45 1HG LYS 45 3.724 -7.704 3.461 337 1HD LYS 45 2HD LYS 45 5.195 -9.724 2.611 338 2HD LYS 45 1HD LYS 45 4.538 -10.534 4.035 339 1HE LYS 45 2HE LYS 45 2.268 -9.444 3.053 340 2HE LYS 45 1HE LYS 45 3.161 -9.661 1.548 341 1HZ LYS 45 1HZ LYS 45 3.623 -11.994 2.452 342 2HZ LYS 45 3HZ LYS 45 2.333 -11.699 3.514 343 3HZ LYS 45 2HZ LYS 45 2.074 -11.668 1.834 344 H SER 46 HN SER 46 6.544 -3.962 3.594 345 HA SER 46 HA SER 46 9.304 -4.448 4.549 346 1HB SER 46 2HB SER 46 8.934 -4.770 1.921 347 2HB SER 46 1HB SER 46 9.014 -3.010 1.932 348 HG SER 46 HG SER 46 11.084 -3.853 1.705 349 H ILE 47 HN ILE 47 8.585 -3.035 6.248 350 HA ILE 47 HA ILE 47 7.472 -0.435 5.773 351 HB ILE 47 HB ILE 47 9.058 -1.364 8.181 352 1HG1 ILE 47 2HG1 ILE 47 6.107 -1.623 7.491 353 2HG1 ILE 47 1HG1 ILE 47 7.253 -2.944 7.686 354 1HG2 ILE 47 3HG2 ILE 47 8.157 1.161 7.577 355 2HG2 ILE 47 2HG2 ILE 47 6.776 0.498 8.451 356 3HG2 ILE 47 1HG2 ILE 47 8.363 0.547 9.217 357 1HD1 ILE 47 2HD1 ILE 47 7.618 -1.853 10.072 358 2HD1 ILE 47 1HD1 ILE 47 6.004 -1.208 9.777 359 3HD1 ILE 47 3HD1 ILE 47 6.269 -2.951 9.783 360 H MET 48 HN MET 48 10.811 -1.564 6.258 361 HA MET 48 HA MET 48 11.939 1.112 6.195 362 1HB MET 48 2HB MET 48 13.030 -0.912 7.256 363 2HB MET 48 1HB MET 48 13.367 -1.498 5.627 364 1HG MET 48 2HG MET 48 14.638 0.550 5.136 365 2HG MET 48 1HG MET 48 14.280 1.169 6.748 366 1HE MET 48 3HE MET 48 16.588 1.660 6.616 367 2HE MET 48 2HE MET 48 17.809 0.670 7.411 368 3HE MET 48 1HE MET 48 17.604 0.568 5.664 369 H GLY 49 HN GLY 49 11.126 -1.302 3.788 370 1HA GLY 49 2HA GLY 49 12.725 -0.152 1.657 371 2HA GLY 49 1HA GLY 49 11.428 -1.330 1.453 372 H VAL 50 HN VAL 50 9.453 0.338 2.873 373 HA VAL 50 HA VAL 50 8.469 1.838 0.623 374 HB VAL 50 HB VAL 50 7.622 2.059 3.527 375 1HG1 VAL 50 3HG1 VAL 50 6.581 3.063 0.931 376 2HG1 VAL 50 2HG1 VAL 50 5.384 2.401 2.043 377 3HG1 VAL 50 1HG1 VAL 50 6.413 3.741 2.550 378 1HG2 VAL 50 3HG2 VAL 50 7.604 -0.236 1.938 379 2HG2 VAL 50 2HG2 VAL 50 6.598 0.043 3.357 380 3HG2 VAL 50 1HG2 VAL 50 5.974 0.409 1.749 381 H VAL 51 HN VAL 51 10.163 2.764 3.603 382 HA VAL 51 HA VAL 51 9.930 5.608 3.192 383 HB VAL 51 HB VAL 51 12.070 4.100 4.724 384 1HG1 VAL 51 3HG1 VAL 51 12.431 6.561 4.223 385 2HG1 VAL 51 2HG1 VAL 51 10.968 6.890 5.152 386 3HG1 VAL 51 1HG1 VAL 51 12.366 6.159 5.940 387 1HG2 VAL 51 2HG2 VAL 51 9.228 4.848 5.360 388 2HG2 VAL 51 1HG2 VAL 51 10.092 3.352 5.722 389 3HG2 VAL 51 3HG2 VAL 51 10.427 4.812 6.654 390 H SER 52 HN SER 52 12.149 3.156 2.016 391 HA SER 52 HA SER 52 14.246 4.915 1.149 392 1HB SER 52 2HB SER 52 15.075 3.050 -0.092 393 2HB SER 52 1HB SER 52 14.338 2.369 1.355 394 HG SER 52 HG SER 52 13.236 1.242 -0.040 395 H LEU 53 HN LEU 53 11.160 3.989 -0.248 396 HA LEU 53 HA LEU 53 11.639 4.823 -2.939 397 1HB LEU 53 2HB LEU 53 9.221 4.398 -1.233 398 2HB LEU 53 1HB LEU 53 9.021 5.313 -2.728 399 HG LEU 53 HG LEU 53 10.167 3.443 -3.952 400 1HD1 LEU 53 2HD1 LEU 53 11.363 2.536 -1.964 401 2HD1 LEU 53 1HD1 LEU 53 9.817 1.991 -1.311 402 3HD1 LEU 53 3HD1 LEU 53 10.436 1.298 -2.810 403 1HD2 LEU 53 1HD2 LEU 53 7.585 3.708 -3.428 404 2HD2 LEU 53 3HD2 LEU 53 8.188 2.238 -4.195 405 3HD2 LEU 53 2HD2 LEU 53 7.846 2.253 -2.464 406 H GLY 54 HN GLY 54 10.021 6.597 -0.277 407 1HA GLY 54 2HA GLY 54 10.423 8.916 0.244 408 2HA GLY 54 1HA GLY 54 11.163 9.119 -1.345 409 H ILE 55 HN ILE 55 8.007 7.693 -0.500 410 HA ILE 55 HA ILE 55 6.674 9.127 -2.631 411 HB ILE 55 HB ILE 55 5.436 7.715 -0.248 412 1HG1 ILE 55 2HG1 ILE 55 5.898 6.543 -2.993 413 2HG1 ILE 55 1HG1 ILE 55 7.107 6.394 -1.718 414 1HG2 ILE 55 2HG2 ILE 55 4.386 8.423 -3.004 415 2HG2 ILE 55 1HG2 ILE 55 3.527 7.430 -1.828 416 3HG2 ILE 55 3HG2 ILE 55 3.860 9.126 -1.475 417 1HD1 ILE 55 1HD1 ILE 55 4.242 5.647 -1.181 418 2HD1 ILE 55 3HD1 ILE 55 5.324 4.504 -1.977 419 3HD1 ILE 55 2HD1 ILE 55 5.702 5.096 -0.359 420 H ALA 56 HN ALA 56 4.941 10.716 -2.312 421 HA ALA 56 HA ALA 56 4.857 12.127 0.275 422 1HB ALA 56 1HB ALA 56 6.753 12.950 -1.518 423 2HB ALA 56 3HB ALA 56 5.385 13.962 -1.984 424 3HB ALA 56 2HB ALA 56 5.992 14.008 -0.329 425 H LYS 57 HN LYS 57 3.592 14.456 -0.618 426 HA LYS 57 HA LYS 57 0.916 13.517 -1.095 427 1HB LYS 57 2HB LYS 57 2.265 16.154 -0.832 428 2HB LYS 57 1HB LYS 57 0.730 16.145 -1.698 429 1HG LYS 57 2HG LYS 57 0.009 14.615 0.371 430 2HG LYS 57 1HG LYS 57 1.290 15.532 1.164 431 1HD LYS 57 2HD LYS 57 -1.014 16.770 -0.372 432 2HD LYS 57 1HD LYS 57 -0.947 16.622 1.383 433 1HE LYS 57 2HE LYS 57 0.596 18.298 1.599 434 2HE LYS 57 1HE LYS 57 1.422 17.868 0.102 435 1HZ LYS 57 3HZ LYS 57 -1.223 19.211 0.250 436 2HZ LYS 57 2HZ LYS 57 0.252 20.005 -0.034 437 3HZ LYS 57 1HZ LYS 57 -0.339 18.877 -1.159 438 H GLY 58 HN GLY 58 -0.101 13.119 -3.006 439 1HA GLY 58 2HA GLY 58 -0.609 13.308 -5.314 440 2HA GLY 58 1HA GLY 58 0.707 14.472 -5.477 441 H ALA 59 HN ALA 59 0.022 11.003 -5.144 442 HA ALA 59 HA ALA 59 2.346 10.436 -6.886 443 1HB ALA 59 1HB ALA 59 2.756 10.274 -4.214 444 2HB ALA 59 3HB ALA 59 2.120 8.657 -4.516 445 3HB ALA 59 2HB ALA 59 3.557 9.213 -5.373 446 H GLU 60 HN GLU 60 2.316 8.056 -7.527 447 HA GLU 60 HA GLU 60 -0.457 6.941 -7.441 448 1HB GLU 60 2HB GLU 60 1.378 7.176 -9.846 449 2HB GLU 60 1HB GLU 60 -0.098 6.210 -9.822 450 1HG GLU 60 2HG GLU 60 -1.482 8.084 -9.664 451 2HG GLU 60 1HG GLU 60 -0.199 9.099 -9.004 452 H ILE 61 HN ILE 61 -0.372 4.954 -6.536 453 HA ILE 61 HA ILE 61 2.108 3.324 -6.933 454 HB ILE 61 HB ILE 61 1.572 2.296 -4.714 455 1HG1 ILE 61 2HG1 ILE 61 -0.488 4.529 -4.593 456 2HG1 ILE 61 1HG1 ILE 61 -0.860 2.814 -4.750 457 1HG2 ILE 61 3HG2 ILE 61 3.143 4.253 -5.009 458 2HG2 ILE 61 2HG2 ILE 61 1.802 5.318 -4.588 459 3HG2 ILE 61 1HG2 ILE 61 2.407 4.154 -3.408 460 1HD1 ILE 61 1HD1 ILE 61 0.944 3.236 -2.524 461 2HD1 ILE 61 3HD1 ILE 61 -0.484 4.257 -2.355 462 3HD1 ILE 61 2HD1 ILE 61 -0.663 2.511 -2.528 463 H THR 62 HN THR 62 1.809 1.265 -7.714 464 HA THR 62 HA THR 62 -1.017 0.392 -8.147 465 HB THR 62 HB THR 62 1.427 -0.498 -9.697 466 HG1 THR 62 HG1 THR 62 -0.505 1.458 -10.385 467 1HG2 THR 62 2HG2 THR 62 -1.556 -0.685 -10.194 468 2HG2 THR 62 1HG2 THR 62 -0.316 -1.158 -11.357 469 3HG2 THR 62 3HG2 THR 62 -0.467 -2.024 -9.828 470 H ILE 63 HN ILE 63 -1.550 -1.122 -6.663 471 HA ILE 63 HA ILE 63 0.523 -2.941 -5.584 472 HB ILE 63 HB ILE 63 -2.403 -2.559 -4.856 473 1HG1 ILE 63 2HG1 ILE 63 0.132 -1.739 -3.401 474 2HG1 ILE 63 1HG1 ILE 63 -0.872 -0.644 -4.352 475 1HG2 ILE 63 1HG2 ILE 63 -0.238 -4.362 -3.781 476 2HG2 ILE 63 3HG2 ILE 63 -1.548 -3.810 -2.737 477 3HG2 ILE 63 2HG2 ILE 63 -1.910 -4.760 -4.178 478 1HD1 ILE 63 3HD1 ILE 63 -2.343 -2.239 -2.345 479 2HD1 ILE 63 2HD1 ILE 63 -1.199 -1.077 -1.675 480 3HD1 ILE 63 1HD1 ILE 63 -2.484 -0.528 -2.749 481 H SER 64 HN SER 64 0.099 -5.296 -5.567 482 HA SER 64 HA SER 64 -1.882 -6.296 -7.515 483 1HB SER 64 2HB SER 64 0.011 -7.666 -8.607 484 2HB SER 64 1HB SER 64 -0.111 -5.965 -9.044 485 HG SER 64 HG SER 64 1.509 -5.528 -7.512 486 H ALA 65 HN ALA 65 -2.878 -7.645 -6.057 487 HA ALA 65 HA ALA 65 -1.239 -9.385 -4.297 488 1HB ALA 65 2HB ALA 65 -3.440 -8.109 -3.642 489 2HB ALA 65 1HB ALA 65 -4.246 -9.451 -4.455 490 3HB ALA 65 3HB ALA 65 -3.201 -9.760 -3.068 491 H SER 66 HN SER 66 -0.726 -11.427 -4.977 492 HA SER 66 HA SER 66 -2.620 -12.866 -6.754 493 1HB SER 66 2HB SER 66 -0.164 -11.699 -7.647 494 2HB SER 66 1HB SER 66 0.015 -13.449 -7.693 495 HG SER 66 HG SER 66 -1.775 -11.774 -9.049 496 H GLY 67 HN GLY 67 -3.070 -14.557 -5.405 497 1HA GLY 67 2HA GLY 67 -1.183 -16.637 -4.960 498 2HA GLY 67 1HA GLY 67 -1.299 -15.684 -3.480 499 H ALA 68 HN ALA 68 -2.672 -16.646 -2.072 500 HA ALA 68 HA ALA 68 -4.901 -18.304 -3.089 501 1HB ALA 68 1HB ALA 68 -3.570 -17.918 -0.426 502 2HB ALA 68 3HB ALA 68 -5.201 -18.585 -0.484 503 3HB ALA 68 2HB ALA 68 -3.880 -19.412 -1.310 504 H ASP 69 HN ASP 69 -4.644 -15.853 -0.487 505 HA ASP 69 HA ASP 69 -7.447 -15.057 -1.077 506 1HB ASP 69 2HB ASP 69 -7.230 -13.777 1.090 507 2HB ASP 69 1HB ASP 69 -7.035 -15.520 1.259 508 H GLU 70 HN GLU 70 -5.919 -14.222 -3.098 509 HA GLU 70 HA GLU 70 -4.603 -11.687 -2.725 510 1HB GLU 70 2HB GLU 70 -4.864 -11.500 -5.234 511 2HB GLU 70 1HB GLU 70 -4.082 -12.986 -4.693 512 1HG GLU 70 2HG GLU 70 -6.018 -14.287 -5.082 513 2HG GLU 70 1HG GLU 70 -7.064 -12.869 -5.145 514 H ASN 71 HN ASN 71 -7.939 -12.619 -3.305 515 HA ASN 71 HA ASN 71 -8.837 -9.940 -4.003 516 1HB ASN 71 2HB ASN 71 -10.176 -12.548 -3.359 517 2HB ASN 71 1HB ASN 71 -11.130 -11.063 -3.367 518 1HD2 ASN 71 2HD2 ASN 71 -10.413 -10.481 -6.923 519 2HD2 ASN 71 1HD2 ASN 71 -10.392 -9.608 -5.467 520 H ASP 72 HN ASP 72 -8.674 -11.870 -1.044 521 HA ASP 72 HA ASP 72 -10.159 -9.960 0.565 522 1HB ASP 72 2HB ASP 72 -8.225 -12.095 1.505 523 2HB ASP 72 1HB ASP 72 -9.497 -11.327 2.453 524 H ALA 73 HN ALA 73 -6.824 -10.270 -0.427 525 HA ALA 73 HA ALA 73 -5.790 -8.554 1.701 526 1HB ALA 73 3HB ALA 73 -4.528 -9.483 -0.891 527 2HB ALA 73 2HB ALA 73 -3.682 -8.634 0.402 528 3HB ALA 73 1HB ALA 73 -4.340 -10.245 0.687 529 H LEU 74 HN LEU 74 -6.518 -8.129 -1.783 530 HA LEU 74 HA LEU 74 -5.586 -5.431 -1.915 531 1HB LEU 74 2HB LEU 74 -6.857 -5.261 -4.000 532 2HB LEU 74 1HB LEU 74 -6.013 -6.801 -3.920 533 HG LEU 74 HG LEU 74 -8.301 -7.610 -2.839 534 1HD1 LEU 74 2HD1 LEU 74 -8.952 -4.973 -3.454 535 2HD1 LEU 74 1HD1 LEU 74 -9.620 -5.877 -4.811 536 3HD1 LEU 74 3HD1 LEU 74 -10.107 -6.272 -3.164 537 1HD2 LEU 74 3HD2 LEU 74 -7.584 -7.205 -5.741 538 2HD2 LEU 74 2HD2 LEU 74 -7.492 -8.683 -4.782 539 3HD2 LEU 74 1HD2 LEU 74 -9.062 -8.050 -5.279 540 H ASN 75 HN ASN 75 -8.818 -6.738 -1.167 541 HA ASN 75 HA ASN 75 -9.966 -4.070 -0.924 542 1HB ASN 75 2HB ASN 75 -11.983 -5.186 -0.141 543 2HB ASN 75 1HB ASN 75 -11.348 -6.053 -1.537 544 1HD2 ASN 75 2HD2 ASN 75 -12.117 -8.300 1.523 545 2HD2 ASN 75 1HD2 ASN 75 -12.979 -6.954 0.951 546 H ALA 76 HN ALA 76 -8.231 -6.208 1.201 547 HA ALA 76 HA ALA 76 -9.195 -5.129 3.698 548 1HB ALA 76 2HB ALA 76 -7.974 -7.289 3.516 549 2HB ALA 76 1HB ALA 76 -6.512 -6.404 3.081 550 3HB ALA 76 3HB ALA 76 -7.223 -6.199 4.682 551 H LEU 77 HN LEU 77 -6.181 -4.515 1.851 552 HA LEU 77 HA LEU 77 -5.438 -2.259 3.509 553 1HB LEU 77 2HB LEU 77 -4.463 -2.870 0.711 554 2HB LEU 77 1HB LEU 77 -3.633 -1.936 1.955 555 HG LEU 77 HG LEU 77 -4.297 -4.528 3.034 556 1HD1 LEU 77 1HD1 LEU 77 -4.091 -4.822 0.360 557 2HD1 LEU 77 3HD1 LEU 77 -2.385 -4.922 0.797 558 3HD1 LEU 77 2HD1 LEU 77 -3.544 -6.047 1.505 559 1HD2 LEU 77 2HD2 LEU 77 -1.726 -3.089 2.336 560 2HD2 LEU 77 1HD2 LEU 77 -2.491 -3.221 3.919 561 3HD2 LEU 77 3HD2 LEU 77 -1.759 -4.641 3.172 562 H GLU 78 HN GLU 78 -7.386 -2.660 0.624 563 HA GLU 78 HA GLU 78 -7.290 0.043 -0.324 564 1HB GLU 78 2HB GLU 78 -8.182 -1.838 -1.663 565 2HB GLU 78 1HB GLU 78 -9.534 -1.987 -0.545 566 1HG GLU 78 2HG GLU 78 -9.426 0.746 -1.332 567 2HG GLU 78 1HG GLU 78 -9.252 -0.213 -2.800 568 H GLU 79 HN GLU 79 -9.862 -1.565 1.599 569 HA GLU 79 HA GLU 79 -11.310 0.813 2.186 570 1HB GLU 79 2HB GLU 79 -12.293 -0.517 4.060 571 2HB GLU 79 1HB GLU 79 -12.292 -1.391 2.529 572 1HG GLU 79 2HG GLU 79 -11.292 -3.063 3.691 573 2HG GLU 79 1HG GLU 79 -9.837 -2.076 3.574 574 H THR 80 HN THR 80 -8.452 -0.587 3.671 575 HA THR 80 HA THR 80 -8.525 0.963 6.106 576 HB THR 80 HB THR 80 -6.110 -0.171 4.656 577 HG1 THR 80 HG1 THR 80 -7.748 -1.310 6.671 578 1HG2 THR 80 3HG2 THR 80 -5.886 1.544 6.607 579 2HG2 THR 80 2HG2 THR 80 -6.421 0.207 7.625 580 3HG2 THR 80 1HG2 THR 80 -4.941 0.055 6.677 581 H MET 81 HN MET 81 -7.271 1.520 2.864 582 HA MET 81 HA MET 81 -5.817 3.939 3.498 583 1HB MET 81 2HB MET 81 -6.762 2.585 0.991 584 2HB MET 81 1HB MET 81 -6.208 4.255 0.900 585 1HG MET 81 2HG MET 81 -4.447 2.473 2.468 586 2HG MET 81 1HG MET 81 -4.560 2.060 0.758 587 1HE MET 81 1HE MET 81 -3.848 2.906 -0.905 588 2HE MET 81 3HE MET 81 -3.316 4.553 -1.279 589 3HE MET 81 2HE MET 81 -2.165 3.369 -0.666 590 H LYS 82 HN LYS 82 -9.130 3.197 2.567 591 HA LYS 82 HA LYS 82 -9.871 5.970 2.071 592 1HB LYS 82 2HB LYS 82 -11.391 3.382 2.352 593 2HB LYS 82 1HB LYS 82 -12.242 4.925 2.274 594 1HG LYS 82 2HG LYS 82 -11.467 5.386 0.100 595 2HG LYS 82 1HG LYS 82 -10.144 4.225 0.228 596 1HD LYS 82 2HD LYS 82 -11.485 2.432 -0.270 597 2HD LYS 82 1HD LYS 82 -12.896 3.134 0.523 598 1HE LYS 82 2HE LYS 82 -13.633 3.537 -1.586 599 2HE LYS 82 1HE LYS 82 -12.493 4.882 -1.566 600 1HZ LYS 82 1HZ LYS 82 -11.646 2.163 -2.346 601 2HZ LYS 82 3HZ LYS 82 -12.342 3.222 -3.473 602 3HZ LYS 82 2HZ LYS 82 -10.897 3.649 -2.690 603 H SER 83 HN SER 83 -9.798 3.846 4.857 604 HA SER 83 HA SER 83 -11.586 5.413 6.507 605 1HB SER 83 2HB SER 83 -10.229 4.141 8.371 606 2HB SER 83 1HB SER 83 -11.319 3.244 7.318 607 HG SER 83 HG SER 83 -8.803 2.781 7.668 608 H GLU 84 HN GLU 84 -8.076 4.926 7.006 609 HA GLU 84 HA GLU 84 -7.774 7.318 8.553 610 1HB GLU 84 2HB GLU 84 -5.874 5.441 7.170 611 2HB GLU 84 1HB GLU 84 -5.270 6.946 7.863 612 1HG GLU 84 2HG GLU 84 -5.917 6.340 10.051 613 2HG GLU 84 1HG GLU 84 -7.017 5.088 9.472 614 H GLY 85 HN GLY 85 -7.657 6.688 5.105 615 1HA GLY 85 2HA GLY 85 -7.831 8.307 3.371 616 2HA GLY 85 1HA GLY 85 -7.622 9.580 4.576 617 H LEU 86 HN LEU 86 -5.573 6.761 3.846 618 HA LEU 86 HA LEU 86 -3.193 8.473 3.860 619 1HB LEU 86 2HB LEU 86 -3.578 5.502 3.425 620 2HB LEU 86 1HB LEU 86 -2.003 6.297 3.452 621 HG LEU 86 HG LEU 86 -4.019 6.419 5.713 622 1HD1 LEU 86 2HD1 LEU 86 -1.489 4.776 5.411 623 2HD1 LEU 86 1HD1 LEU 86 -2.464 4.885 6.876 624 3HD1 LEU 86 3HD1 LEU 86 -3.134 4.143 5.424 625 1HD2 LEU 86 3HD2 LEU 86 -1.173 7.390 5.355 626 2HD2 LEU 86 2HD2 LEU 86 -2.595 8.343 5.778 627 3HD2 LEU 86 1HD2 LEU 86 -1.917 7.206 6.943 628 H GLY 87 HN GLY 87 -5.072 6.623 1.486 629 1HA GLY 87 2HA GLY 87 -4.278 8.318 -0.691 630 2HA GLY 87 1HA GLY 87 -3.350 6.819 -0.740 631 H GLU 88 HN GLU 88 -6.182 8.259 -1.776 632 HA GLU 88 HA GLU 88 -7.286 5.617 -2.561 633 1HB GLU 88 2HB GLU 88 -9.608 6.494 -2.007 634 2HB GLU 88 1HB GLU 88 -8.605 6.091 -0.617 635 1HG GLU 88 2HG GLU 88 -8.229 8.863 -1.497 636 2HG GLU 88 1HG GLU 88 -9.899 8.521 -1.046 No H/Q in entry = 636 Start of MODEL 25 1 1H ALA 2 1HT ALA 2 -6.646 -8.138 -10.876 2 2H ALA 2 3HT ALA 2 -5.848 -9.563 -10.421 3 3H ALA 2 2HT ALA 2 -7.514 -9.593 -10.751 4 HA ALA 2 HA ALA 2 -8.088 -8.582 -8.788 5 1HB ALA 2 3HB ALA 2 -6.845 -10.839 -8.530 6 2HB ALA 2 2HB ALA 2 -5.500 -9.874 -7.925 7 3HB ALA 2 1HB ALA 2 -7.049 -9.853 -7.082 8 H GLN 3 HN GLN 3 -4.803 -7.821 -9.780 9 HA GLN 3 HA GLN 3 -3.941 -6.115 -7.730 10 1HB GLN 3 2HB GLN 3 -2.673 -4.895 -9.517 11 2HB GLN 3 1HB GLN 3 -2.487 -6.645 -9.590 12 1HG GLN 3 2HG GLN 3 -3.038 -6.381 -11.786 13 2HG GLN 3 1HG GLN 3 -4.690 -6.290 -11.177 14 1HE2 GLN 3 2HE2 GLN 3 -3.027 -3.030 -12.865 15 2HE2 GLN 3 1HE2 GLN 3 -2.255 -4.542 -12.862 16 H LYS 4 HN LYS 4 -4.055 -3.800 -7.458 17 HA LYS 4 HA LYS 4 -6.290 -2.439 -8.887 18 1HB LYS 4 2HB LYS 4 -6.885 -3.474 -6.535 19 2HB LYS 4 1HB LYS 4 -6.006 -2.074 -5.918 20 1HG LYS 4 2HG LYS 4 -7.491 -0.544 -6.988 21 2HG LYS 4 1HG LYS 4 -8.208 -1.818 -7.974 22 1HD LYS 4 2HD LYS 4 -8.336 -2.015 -4.979 23 2HD LYS 4 1HD LYS 4 -9.481 -0.981 -5.835 24 1HE LYS 4 2HE LYS 4 -9.082 -3.720 -6.928 25 2HE LYS 4 1HE LYS 4 -9.952 -3.596 -5.399 26 1HZ LYS 4 2HZ LYS 4 -10.639 -1.882 -7.705 27 2HZ LYS 4 1HZ LYS 4 -11.295 -3.441 -7.539 28 3HZ LYS 4 3HZ LYS 4 -11.588 -2.268 -6.349 29 H THR 5 HN THR 5 -6.220 -0.029 -8.451 30 HA THR 5 HA THR 5 -3.394 0.858 -8.019 31 HB THR 5 HB THR 5 -5.447 2.287 -9.721 32 HG1 THR 5 HG1 THR 5 -4.900 1.059 -11.352 33 1HG2 THR 5 2HG2 THR 5 -2.488 2.489 -9.227 34 2HG2 THR 5 1HG2 THR 5 -3.166 3.040 -10.760 35 3HG2 THR 5 3HG2 THR 5 -3.702 3.770 -9.246 36 H PHE 6 HN PHE 6 -3.127 2.235 -6.336 37 HA PHE 6 HA PHE 6 -5.560 3.540 -5.194 38 1HB PHE 6 2HB PHE 6 -2.939 2.691 -3.938 39 2HB PHE 6 1HB PHE 6 -4.104 3.728 -3.112 40 HD1 PHE 6 1HD PHE 6 -3.608 0.377 -4.640 41 HD2 PHE 6 2HD PHE 6 -6.129 2.846 -2.192 42 HE1 PHE 6 1HE PHE 6 -4.924 -1.619 -3.985 43 HE2 PHE 6 2HE PHE 6 -7.445 0.849 -1.535 44 HZ PHE 6 HZ PHE 6 -6.845 -1.383 -2.430 45 H LYS 7 HN LYS 7 -5.420 5.763 -4.592 46 HA LYS 7 HA LYS 7 -3.280 7.255 -6.041 47 1HB LYS 7 2HB LYS 7 -6.100 7.921 -5.221 48 2HB LYS 7 1HB LYS 7 -4.947 9.211 -5.561 49 1HG LYS 7 2HG LYS 7 -5.213 6.958 -7.521 50 2HG LYS 7 1HG LYS 7 -6.446 8.219 -7.502 51 1HD LYS 7 2HD LYS 7 -3.583 9.073 -7.469 52 2HD LYS 7 1HD LYS 7 -4.242 8.461 -8.987 53 1HE LYS 7 2HE LYS 7 -6.010 10.113 -8.958 54 2HE LYS 7 1HE LYS 7 -5.552 10.642 -7.340 55 1HZ LYS 7 3HZ LYS 7 -3.806 10.815 -9.735 56 2HZ LYS 7 2HZ LYS 7 -4.704 12.108 -9.095 57 3HZ LYS 7 1HZ LYS 7 -3.452 11.407 -8.185 58 H VAL 8 HN VAL 8 -1.655 7.965 -4.765 59 HA VAL 8 HA VAL 8 -1.909 8.089 -1.867 60 HB VAL 8 HB VAL 8 0.326 9.153 -3.619 61 1HG1 VAL 8 2HG1 VAL 8 0.152 9.812 -1.139 62 2HG1 VAL 8 1HG1 VAL 8 0.470 8.114 -0.784 63 3HG1 VAL 8 3HG1 VAL 8 1.666 9.072 -1.657 64 1HG2 VAL 8 2HG2 VAL 8 -0.178 6.397 -2.458 65 2HG2 VAL 8 1HG2 VAL 8 0.000 6.821 -4.160 66 3HG2 VAL 8 3HG2 VAL 8 1.388 6.920 -3.078 67 H THR 9 HN THR 9 -2.661 9.802 -0.738 68 HA THR 9 HA THR 9 -2.277 12.540 -1.826 69 HB THR 9 HB THR 9 -4.950 11.638 -0.733 70 HG1 THR 9 HG1 THR 9 -5.280 10.765 -2.594 71 1HG2 THR 9 1HG2 THR 9 -3.852 14.099 -2.065 72 2HG2 THR 9 3HG2 THR 9 -5.571 13.724 -2.175 73 3HG2 THR 9 2HG2 THR 9 -4.821 13.972 -0.598 74 H ALA 10 HN ALA 10 -1.309 10.785 0.526 75 HA ALA 10 HA ALA 10 -2.393 12.082 2.893 76 1HB ALA 10 3HB ALA 10 -1.366 9.736 2.776 77 2HB ALA 10 2HB ALA 10 0.201 10.540 2.721 78 3HB ALA 10 1HB ALA 10 -0.846 10.748 4.124 79 H ASP 11 HN ASP 11 -1.424 13.746 4.093 80 HA ASP 11 HA ASP 11 0.266 15.588 2.641 81 1HB ASP 11 2HB ASP 11 0.330 16.825 4.831 82 2HB ASP 11 1HB ASP 11 -1.303 16.455 4.277 83 H SER 12 HN SER 12 0.833 13.348 5.355 84 HA SER 12 HA SER 12 3.616 14.042 5.686 85 1HB SER 12 2HB SER 12 3.599 11.611 6.734 86 2HB SER 12 1HB SER 12 2.783 12.937 7.556 87 HG SER 12 HG SER 12 1.457 11.073 7.342 88 H GLY 13 HN GLY 13 1.887 11.658 3.734 89 1HA GLY 13 2HA GLY 13 2.852 10.983 1.568 90 2HA GLY 13 1HA GLY 13 4.451 11.094 2.308 91 H ILE 14 HN ILE 14 4.633 8.820 1.455 92 HA ILE 14 HA ILE 14 3.215 6.848 3.195 93 HB ILE 14 HB ILE 14 4.795 6.249 0.683 94 1HG1 ILE 14 2HG1 ILE 14 2.973 7.799 0.099 95 2HG1 ILE 14 1HG1 ILE 14 2.612 6.181 -0.496 96 1HG2 ILE 14 1HG2 ILE 14 3.057 4.731 2.566 97 2HG2 ILE 14 3HG2 ILE 14 2.934 4.326 0.854 98 3HG2 ILE 14 2HG2 ILE 14 4.487 4.204 1.679 99 1HD1 ILE 14 1HD1 ILE 14 1.461 6.043 1.959 100 2HD1 ILE 14 3HD1 ILE 14 1.262 7.761 1.620 101 3HD1 ILE 14 2HD1 ILE 14 0.597 6.561 0.513 102 1HN HIP 15 HN HIP 15 4.763 7.434 4.945 103 HA HIP 15 HA HIP 15 7.480 6.329 4.484 104 1HB HIP 15 1HB HIP 15 7.426 8.656 5.263 105 2HB HIP 15 2HB HIP 15 8.198 7.616 6.438 106 HD2 HIP 15 2HD HIP 15 4.513 9.043 6.008 107 HE2 HIP 15 2HE HIP 15 3.707 9.615 8.410 108 HE1 HIP 15 1HE HIP 15 5.484 9.008 10.105 109 H ALA 16 HN ALA 16 8.020 5.888 7.305 110 HA ALA 16 HA ALA 16 7.240 3.188 7.515 111 1HB ALA 16 1HB ALA 16 9.015 4.747 8.828 112 2HB ALA 16 3HB ALA 16 7.768 4.593 10.066 113 3HB ALA 16 2HB ALA 16 8.523 3.150 9.390 114 H ARG 17 HN ARG 17 5.549 6.064 8.732 115 HA ARG 17 HA ARG 17 3.854 4.749 10.598 116 1HB ARG 17 2HB ARG 17 3.656 7.277 9.030 117 2HB ARG 17 1HB ARG 17 2.210 6.692 9.845 118 1HG ARG 17 2HG ARG 17 4.810 6.796 11.341 119 2HG ARG 17 1HG ARG 17 3.885 8.280 11.115 120 1HD ARG 17 2HD ARG 17 2.549 5.784 12.138 121 2HD ARG 17 1HD ARG 17 3.416 6.856 13.236 122 HE ARG 17 HE ARG 17 1.502 8.263 11.544 123 1HH1 ARG 17 HH11 ARG 17 2.513 8.119 14.631 124 2HH1 ARG 17 HH12 ARG 17 0.952 8.062 15.380 125 1HH2 ARG 17 HH21 ARG 17 -0.745 7.475 12.413 126 2HH2 ARG 17 HH22 ARG 17 -0.892 7.698 14.124 127 HA PRO 18 HA PRO 18 0.603 4.017 7.168 128 1HB PRO 18 2HB PRO 18 1.329 4.523 4.558 129 2HB PRO 18 1HB PRO 18 0.490 5.693 5.594 130 1HG PRO 18 2HG PRO 18 3.388 5.588 4.827 131 2HG PRO 18 1HG PRO 18 2.358 6.998 5.136 132 1HD PRO 18 2HD PRO 18 4.192 6.007 6.967 133 2HD PRO 18 1HD PRO 18 2.756 6.955 7.400 134 H ALA 19 HN ALA 19 3.978 3.322 6.744 135 HA ALA 19 HA ALA 19 3.620 0.988 5.041 136 1HB ALA 19 3HB ALA 19 5.747 2.258 5.099 137 2HB ALA 19 2HB ALA 19 5.966 1.796 6.786 138 3HB ALA 19 1HB ALA 19 5.991 0.565 5.523 139 H THR 20 HN THR 20 3.557 1.641 8.481 140 HA THR 20 HA THR 20 3.830 -1.179 9.233 141 HB THR 20 HB THR 20 2.745 0.937 11.068 142 HG1 THR 20 HG1 THR 20 5.454 0.602 10.298 143 1HG2 THR 20 1HG2 THR 20 4.564 -1.464 11.342 144 2HG2 THR 20 3HG2 THR 20 4.241 -0.334 12.656 145 3HG2 THR 20 2HG2 THR 20 2.925 -1.287 11.969 146 H VAL 21 HN VAL 21 1.267 1.135 8.610 147 HA VAL 21 HA VAL 21 -0.871 -0.450 9.769 148 HB VAL 21 HB VAL 21 -1.066 1.637 7.603 149 1HG1 VAL 21 3HG1 VAL 21 -3.022 0.542 9.638 150 2HG1 VAL 21 2HG1 VAL 21 -3.335 1.966 8.647 151 3HG1 VAL 21 1HG1 VAL 21 -3.120 0.391 7.884 152 1HG2 VAL 21 1HG2 VAL 21 0.184 2.427 9.644 153 2HG2 VAL 21 3HG2 VAL 21 -1.332 3.285 9.368 154 3HG2 VAL 21 2HG2 VAL 21 -1.241 2.032 10.605 155 H LEU 22 HN LEU 22 0.451 0.002 6.534 156 HA LEU 22 HA LEU 22 -1.438 -1.728 5.212 157 1HB LEU 22 2HB LEU 22 1.299 -0.706 4.428 158 2HB LEU 22 1HB LEU 22 0.224 -1.587 3.337 159 HG LEU 22 HG LEU 22 -0.535 0.972 4.782 160 1HD1 LEU 22 3HD1 LEU 22 0.791 0.423 2.157 161 2HD1 LEU 22 2HD1 LEU 22 -0.439 1.689 2.197 162 3HD1 LEU 22 1HD1 LEU 22 0.977 1.802 3.242 163 1HD2 LEU 22 3HD2 LEU 22 -1.847 -0.761 2.669 164 2HD2 LEU 22 2HD2 LEU 22 -2.497 -0.283 4.237 165 3HD2 LEU 22 1HD2 LEU 22 -2.333 0.911 2.948 166 H VAL 23 HN VAL 23 1.950 -2.204 6.283 167 HA VAL 23 HA VAL 23 2.222 -4.877 5.359 168 HB VAL 23 HB VAL 23 4.120 -3.495 6.163 169 1HG1 VAL 23 1HG1 VAL 23 2.781 -2.590 8.149 170 2HG1 VAL 23 3HG1 VAL 23 3.164 -4.106 8.964 171 3HG1 VAL 23 2HG1 VAL 23 4.462 -3.020 8.471 172 1HG2 VAL 23 1HG2 VAL 23 3.911 -6.159 6.298 173 2HG2 VAL 23 3HG2 VAL 23 5.346 -5.316 6.881 174 3HG2 VAL 23 2HG2 VAL 23 4.104 -5.835 8.021 175 H GLN 24 HN GLN 24 0.619 -3.585 8.194 176 HA GLN 24 HA GLN 24 0.414 -6.067 9.649 177 1HB GLN 24 2HB GLN 24 -1.066 -3.441 9.753 178 2HB GLN 24 1HB GLN 24 -1.559 -4.804 10.752 179 1HG GLN 24 2HG GLN 24 1.321 -4.388 10.872 180 2HG GLN 24 1HG GLN 24 0.442 -2.943 11.361 181 1HE2 GLN 24 2HE2 GLN 24 -1.299 -4.855 14.019 182 2HE2 GLN 24 1HE2 GLN 24 -1.752 -3.878 12.709 183 H THR 25 HN THR 25 -1.791 -4.373 7.406 184 HA THR 25 HA THR 25 -3.916 -6.299 7.607 185 HB THR 25 HB THR 25 -3.416 -4.722 5.100 186 HG1 THR 25 HG1 THR 25 -4.100 -2.889 6.126 187 1HG2 THR 25 1HG2 THR 25 -5.465 -6.298 5.856 188 2HG2 THR 25 3HG2 THR 25 -6.001 -4.775 6.567 189 3HG2 THR 25 2HG2 THR 25 -5.687 -4.878 4.834 190 H ALA 26 HN ALA 26 -1.583 -5.801 4.929 191 HA ALA 26 HA ALA 26 -2.219 -8.157 3.499 192 1HB ALA 26 2HB ALA 26 0.436 -6.707 3.692 193 2HB ALA 26 1HB ALA 26 0.020 -7.899 2.459 194 3HB ALA 26 3HB ALA 26 -0.851 -6.368 2.536 195 H SER 27 HN SER 27 -0.387 -7.774 6.439 196 HA SER 27 HA SER 27 1.259 -10.087 6.333 197 1HB SER 27 2HB SER 27 1.566 -8.480 8.110 198 2HB SER 27 1HB SER 27 -0.084 -8.715 8.676 199 HG SER 27 HG SER 27 0.480 -10.554 9.587 200 H LYS 28 HN LYS 28 -2.124 -9.697 7.350 201 HA LYS 28 HA LYS 28 -2.473 -12.430 8.201 202 1HB LYS 28 2HB LYS 28 -4.270 -10.121 7.587 203 2HB LYS 28 1HB LYS 28 -4.985 -11.733 7.639 204 1HG LYS 28 2HG LYS 28 -5.164 -10.970 9.867 205 2HG LYS 28 1HG LYS 28 -3.731 -11.998 9.888 206 1HD LYS 28 2HD LYS 28 -2.338 -9.934 9.501 207 2HD LYS 28 1HD LYS 28 -3.803 -8.974 9.718 208 1HE LYS 28 2HE LYS 28 -4.066 -9.722 11.978 209 2HE LYS 28 1HE LYS 28 -2.833 -10.967 11.778 210 1HZ LYS 28 2HZ LYS 28 -2.174 -8.125 11.361 211 2HZ LYS 28 1HZ LYS 28 -2.203 -8.778 12.930 212 3HZ LYS 28 3HZ LYS 28 -1.143 -9.413 11.767 213 H TYR 29 HN TYR 29 -2.591 -10.827 5.086 214 HA TYR 29 HA TYR 29 -3.879 -13.154 3.802 215 1HB TYR 29 2HB TYR 29 -2.780 -10.587 2.605 216 2HB TYR 29 1HB TYR 29 -3.697 -11.817 1.733 217 HD1 TYR 29 2HD TYR 29 -6.078 -12.231 2.254 218 HD2 TYR 29 1HD TYR 29 -3.872 -9.073 4.155 219 HE1 TYR 29 2HE TYR 29 -8.202 -11.208 3.020 220 HE2 TYR 29 1HE TYR 29 -5.997 -8.051 4.922 221 HH TYR 29 HH TYR 29 -8.962 -9.691 4.826 222 H ASP 30 HN ASP 30 -2.693 -14.840 3.122 223 HA ASP 30 HA ASP 30 0.194 -14.829 3.173 224 1HB ASP 30 2HB ASP 30 -1.758 -16.819 1.978 225 2HB ASP 30 1HB ASP 30 -0.031 -17.105 2.193 226 H ALA 31 HN ALA 31 -2.137 -13.954 0.757 227 HA ALA 31 HA ALA 31 -0.730 -14.545 -1.630 228 1HB ALA 31 1HB ALA 31 -3.107 -13.552 -1.294 229 2HB ALA 31 3HB ALA 31 -2.288 -11.990 -1.271 230 3HB ALA 31 2HB ALA 31 -2.177 -13.023 -2.696 231 H ASP 32 HN ASP 32 0.760 -13.319 -2.864 232 HA ASP 32 HA ASP 32 2.502 -11.568 -1.250 233 1HB ASP 32 2HB ASP 32 2.810 -12.637 -4.071 234 2HB ASP 32 1HB ASP 32 4.040 -11.736 -3.185 235 H VAL 33 HN VAL 33 1.294 -9.631 -1.117 236 HA VAL 33 HA VAL 33 0.478 -8.311 -3.639 237 HB VAL 33 HB VAL 33 -0.611 -6.660 -2.209 238 1HG1 VAL 33 2HG1 VAL 33 -1.290 -9.352 -2.330 239 2HG1 VAL 33 1HG1 VAL 33 -1.379 -8.996 -0.605 240 3HG1 VAL 33 3HG1 VAL 33 -2.332 -8.054 -1.752 241 1HG2 VAL 33 2HG2 VAL 33 0.886 -8.072 0.015 242 2HG2 VAL 33 1HG2 VAL 33 0.965 -6.368 -0.425 243 3HG2 VAL 33 3HG2 VAL 33 -0.494 -7.020 0.317 244 H ASN 34 HN ASN 34 1.914 -7.016 -4.672 245 HA ASN 34 HA ASN 34 4.095 -5.775 -3.039 246 1HB ASN 34 2HB ASN 34 4.143 -6.602 -5.956 247 2HB ASN 34 1HB ASN 34 5.481 -5.864 -5.075 248 1HD2 ASN 34 2HD2 ASN 34 6.495 -9.237 -4.524 249 2HD2 ASN 34 1HD2 ASN 34 6.797 -7.826 -5.420 250 H LEU 35 HN LEU 35 4.319 -3.590 -3.147 251 HA LEU 35 HA LEU 35 2.372 -2.067 -4.774 252 1HB LEU 35 2HB LEU 35 3.043 -1.620 -2.279 253 2HB LEU 35 1HB LEU 35 4.459 -0.841 -2.980 254 HG LEU 35 HG LEU 35 2.151 0.061 -4.431 255 1HD1 LEU 35 2HD1 LEU 35 1.248 -0.688 -1.996 256 2HD1 LEU 35 1HD1 LEU 35 1.819 0.934 -1.609 257 3HD1 LEU 35 3HD1 LEU 35 0.606 0.703 -2.868 258 1HD2 LEU 35 2HD2 LEU 35 4.285 1.224 -2.678 259 2HD2 LEU 35 1HD2 LEU 35 3.929 1.551 -4.373 260 3HD2 LEU 35 3HD2 LEU 35 2.910 2.241 -3.109 261 H GLU 36 HN GLU 36 3.019 -0.598 -6.411 262 HA GLU 36 HA GLU 36 5.874 -0.858 -7.276 263 1HB GLU 36 2HB GLU 36 4.091 -1.933 -8.751 264 2HB GLU 36 1HB GLU 36 3.520 -0.298 -9.092 265 1HG GLU 36 2HG GLU 36 5.834 0.292 -9.853 266 2HG GLU 36 1HG GLU 36 6.289 -1.399 -9.647 267 H TYR 37 HN TYR 37 6.998 1.023 -7.409 268 HA TYR 37 HA TYR 37 5.698 3.549 -8.099 269 1HB TYR 37 2HB TYR 37 5.231 3.300 -5.638 270 2HB TYR 37 1HB TYR 37 6.973 3.295 -5.360 271 HD1 TYR 37 1HD TYR 37 4.403 5.299 -7.230 272 HD2 TYR 37 2HD TYR 37 7.996 5.330 -4.877 273 HE1 TYR 37 1HE TYR 37 4.425 7.778 -7.297 274 HE2 TYR 37 2HE TYR 37 8.018 7.810 -4.944 275 HH TYR 37 HH TYR 37 7.125 9.616 -6.383 276 H ASN 38 HN ASN 38 7.204 5.008 -8.910 277 HA ASN 38 HA ASN 38 9.259 5.770 -9.735 278 1HB ASN 38 2HB ASN 38 9.862 4.665 -7.061 279 2HB ASN 38 1HB ASN 38 11.251 4.755 -8.143 280 1HD2 ASN 38 2HD2 ASN 38 11.299 8.324 -8.221 281 2HD2 ASN 38 1HD2 ASN 38 11.812 6.920 -9.025 282 H GLY 39 HN GLY 39 8.144 3.249 -10.700 283 1HA GLY 39 2HA GLY 39 8.780 1.501 -12.129 284 2HA GLY 39 1HA GLY 39 10.330 2.327 -12.286 285 H LYS 40 HN LYS 40 9.072 1.276 -9.187 286 HA LYS 40 HA LYS 40 11.128 -0.898 -9.134 287 1HB LYS 40 2HB LYS 40 10.370 1.037 -6.920 288 2HB LYS 40 1HB LYS 40 11.435 -0.354 -6.711 289 1HG LYS 40 2HG LYS 40 12.920 0.579 -8.499 290 2HG LYS 40 1HG LYS 40 11.900 2.017 -8.541 291 1HD LYS 40 2HD LYS 40 12.334 2.148 -5.989 292 2HD LYS 40 1HD LYS 40 13.665 1.033 -6.303 293 1HE LYS 40 2HE LYS 40 14.168 2.808 -8.249 294 2HE LYS 40 1HE LYS 40 13.347 3.885 -7.118 295 1HZ LYS 40 1HZ LYS 40 14.885 2.982 -5.378 296 2HZ LYS 40 3HZ LYS 40 15.764 2.243 -6.627 297 3HZ LYS 40 2HZ LYS 40 15.626 3.935 -6.575 298 H THR 41 HN THR 41 10.570 -2.403 -7.131 299 HA THR 41 HA THR 41 7.654 -2.626 -6.690 300 HB THR 41 HB THR 41 9.240 -4.946 -7.822 301 HG1 THR 41 HG1 THR 41 7.334 -3.254 -9.065 302 1HG2 THR 41 1HG2 THR 41 6.466 -4.520 -6.820 303 2HG2 THR 41 3HG2 THR 41 6.663 -5.552 -8.237 304 3HG2 THR 41 2HG2 THR 41 7.486 -5.957 -6.732 305 H VAL 42 HN VAL 42 7.846 -2.476 -4.480 306 HA VAL 42 HA VAL 42 9.715 -4.374 -3.125 307 HB VAL 42 HB VAL 42 9.009 -2.922 -1.052 308 1HG1 VAL 42 3HG1 VAL 42 11.200 -2.972 -2.702 309 2HG1 VAL 42 2HG1 VAL 42 10.748 -1.268 -2.748 310 3HG1 VAL 42 1HG1 VAL 42 11.080 -2.053 -1.201 311 1HG2 VAL 42 1HG2 VAL 42 7.266 -1.645 -2.324 312 2HG2 VAL 42 3HG2 VAL 42 8.476 -0.606 -1.570 313 3HG2 VAL 42 2HG2 VAL 42 8.551 -0.936 -3.300 314 H ASN 43 HN ASN 43 8.909 -5.758 -1.527 315 HA ASN 43 HA ASN 43 6.158 -6.607 -1.843 316 1HB ASN 43 2HB ASN 43 8.138 -8.074 -1.159 317 2HB ASN 43 1HB ASN 43 8.032 -7.316 0.431 318 1HD2 ASN 43 2HD2 ASN 43 4.717 -9.478 -0.716 319 2HD2 ASN 43 1HD2 ASN 43 5.487 -8.485 -1.856 320 H LEU 44 HN LEU 44 4.393 -6.129 -0.470 321 HA LEU 44 HA LEU 44 4.511 -3.681 0.997 322 1HB LEU 44 2HB LEU 44 2.418 -4.725 0.042 323 2HB LEU 44 1HB LEU 44 2.437 -5.830 1.424 324 HG LEU 44 HG LEU 44 2.754 -3.573 2.784 325 1HD1 LEU 44 1HD1 LEU 44 1.522 -2.724 0.178 326 2HD1 LEU 44 3HD1 LEU 44 1.289 -1.814 1.673 327 3HD1 LEU 44 2HD1 LEU 44 2.914 -2.032 1.016 328 1HD2 LEU 44 2HD2 LEU 44 0.342 -4.965 1.767 329 2HD2 LEU 44 1HD2 LEU 44 0.918 -4.752 3.420 330 3HD2 LEU 44 3HD2 LEU 44 0.100 -3.425 2.593 331 H LYS 45 HN LYS 45 5.498 -6.851 1.902 332 HA LYS 45 HA LYS 45 5.215 -6.297 4.788 333 1HB LYS 45 2HB LYS 45 6.428 -8.620 3.251 334 2HB LYS 45 1HB LYS 45 6.391 -8.519 5.011 335 1HG LYS 45 2HG LYS 45 4.404 -9.617 4.778 336 2HG LYS 45 1HG LYS 45 3.780 -8.003 4.437 337 1HD LYS 45 2HD LYS 45 4.129 -8.372 2.023 338 2HD LYS 45 1HD LYS 45 4.759 -9.985 2.360 339 1HE LYS 45 2HE LYS 45 2.106 -9.362 3.537 340 2HE LYS 45 1HE LYS 45 2.156 -9.509 1.780 341 1HZ LYS 45 2HZ LYS 45 3.253 -11.517 3.672 342 2HZ LYS 45 1HZ LYS 45 1.737 -11.634 2.915 343 3HZ LYS 45 3HZ LYS 45 3.153 -11.665 1.982 344 H SER 46 HN SER 46 6.667 -4.297 3.620 345 HA SER 46 HA SER 46 9.350 -4.732 4.784 346 1HB SER 46 2HB SER 46 9.382 -5.332 2.272 347 2HB SER 46 1HB SER 46 9.130 -3.615 1.973 348 HG SER 46 HG SER 46 11.070 -3.174 2.821 349 H ILE 47 HN ILE 47 8.681 -3.191 6.325 350 HA ILE 47 HA ILE 47 7.577 -0.623 5.602 351 HB ILE 47 HB ILE 47 8.995 -1.390 8.165 352 1HG1 ILE 47 2HG1 ILE 47 6.088 -1.692 7.321 353 2HG1 ILE 47 1HG1 ILE 47 7.217 -3.004 7.644 354 1HG2 ILE 47 3HG2 ILE 47 8.182 1.082 7.352 355 2HG2 ILE 47 2HG2 ILE 47 6.700 0.490 8.103 356 3HG2 ILE 47 1HG2 ILE 47 8.192 0.568 9.039 357 1HD1 ILE 47 2HD1 ILE 47 7.448 -1.691 9.975 358 2HD1 ILE 47 1HD1 ILE 47 5.803 -1.217 9.558 359 3HD1 ILE 47 3HD1 ILE 47 6.217 -2.925 9.708 360 H MET 48 HN MET 48 10.842 -1.704 6.544 361 HA MET 48 HA MET 48 12.063 0.889 6.350 362 1HB MET 48 2HB MET 48 13.061 -1.096 7.521 363 2HB MET 48 1HB MET 48 13.379 -1.810 5.940 364 1HG MET 48 2HG MET 48 14.543 0.502 5.454 365 2HG MET 48 1HG MET 48 14.631 0.602 7.212 366 1HE MET 48 1HE MET 48 17.004 0.960 6.108 367 2HE MET 48 3HE MET 48 18.181 -0.350 5.940 368 3HE MET 48 2HE MET 48 17.082 0.025 4.616 369 H GLY 49 HN GLY 49 11.246 -1.553 3.975 370 1HA GLY 49 2HA GLY 49 12.972 -0.531 1.880 371 2HA GLY 49 1HA GLY 49 11.634 -1.655 1.655 372 H VAL 50 HN VAL 50 9.600 0.020 2.841 373 HA VAL 50 HA VAL 50 8.855 1.575 0.544 374 HB VAL 50 HB VAL 50 7.773 1.782 3.372 375 1HG1 VAL 50 1HG1 VAL 50 6.761 2.629 0.653 376 2HG1 VAL 50 3HG1 VAL 50 5.671 2.398 2.021 377 3HG1 VAL 50 2HG1 VAL 50 6.945 3.615 2.103 378 1HG2 VAL 50 2HG2 VAL 50 7.844 -0.507 1.908 379 2HG2 VAL 50 1HG2 VAL 50 6.526 -0.107 3.010 380 3HG2 VAL 50 3HG2 VAL 50 6.359 0.210 1.284 381 H VAL 51 HN VAL 51 10.404 2.408 3.616 382 HA VAL 51 HA VAL 51 10.224 5.254 3.359 383 HB VAL 51 HB VAL 51 12.423 3.657 4.708 384 1HG1 VAL 51 2HG1 VAL 51 12.554 6.246 4.290 385 2HG1 VAL 51 1HG1 VAL 51 11.351 6.328 5.578 386 3HG1 VAL 51 3HG1 VAL 51 12.931 5.610 5.892 387 1HG2 VAL 51 2HG2 VAL 51 9.589 4.263 5.450 388 2HG2 VAL 51 1HG2 VAL 51 10.555 2.830 5.798 389 3HG2 VAL 51 3HG2 VAL 51 10.804 4.308 6.727 390 H SER 52 HN SER 52 12.394 2.878 1.952 391 HA SER 52 HA SER 52 14.487 4.646 1.138 392 1HB SER 52 2HB SER 52 15.202 2.886 -0.302 393 2HB SER 52 1HB SER 52 14.472 2.081 1.083 394 HG SER 52 HG SER 52 13.453 1.130 -0.547 395 H LEU 53 HN LEU 53 11.348 3.880 -0.271 396 HA LEU 53 HA LEU 53 11.862 5.230 -2.794 397 1HB LEU 53 2HB LEU 53 9.337 4.290 -1.415 398 2HB LEU 53 1HB LEU 53 9.312 5.123 -2.969 399 HG LEU 53 HG LEU 53 11.239 3.233 -3.426 400 1HD1 LEU 53 1HD1 LEU 53 10.286 2.386 -1.034 401 2HD1 LEU 53 3HD1 LEU 53 9.168 1.556 -2.114 402 3HD1 LEU 53 2HD1 LEU 53 10.904 1.288 -2.268 403 1HD2 LEU 53 2HD2 LEU 53 8.236 2.999 -3.791 404 2HD2 LEU 53 1HD2 LEU 53 9.379 3.720 -4.924 405 3HD2 LEU 53 3HD2 LEU 53 9.420 1.984 -4.614 406 H GLY 54 HN GLY 54 9.848 6.072 0.047 407 1HA GLY 54 2HA GLY 54 9.453 8.187 1.009 408 2HA GLY 54 1HA GLY 54 10.679 8.856 -0.069 409 H ILE 55 HN ILE 55 7.394 7.438 -0.303 410 HA ILE 55 HA ILE 55 6.786 8.935 -2.722 411 HB ILE 55 HB ILE 55 4.870 7.546 -0.819 412 1HG1 ILE 55 2HG1 ILE 55 5.840 6.319 -3.373 413 2HG1 ILE 55 1HG1 ILE 55 6.908 6.258 -1.972 414 1HG2 ILE 55 1HG2 ILE 55 4.686 8.590 -3.644 415 2HG2 ILE 55 3HG2 ILE 55 3.614 7.312 -3.072 416 3HG2 ILE 55 2HG2 ILE 55 3.599 8.892 -2.288 417 1HD1 ILE 55 2HD1 ILE 55 4.022 5.462 -1.696 418 2HD1 ILE 55 1HD1 ILE 55 5.196 4.317 -2.343 419 3HD1 ILE 55 3HD1 ILE 55 5.406 4.971 -0.719 420 H ALA 56 HN ALA 56 4.982 10.537 -2.810 421 HA ALA 56 HA ALA 56 4.640 12.061 -0.269 422 1HB ALA 56 1HB ALA 56 6.375 12.863 -2.258 423 2HB ALA 56 3HB ALA 56 4.902 13.744 -2.668 424 3HB ALA 56 2HB ALA 56 5.630 13.937 -1.073 425 H LYS 57 HN LYS 57 3.059 14.087 -1.092 426 HA LYS 57 HA LYS 57 0.557 12.730 -1.736 427 1HB LYS 57 2HB LYS 57 -0.406 15.039 -1.561 428 2HB LYS 57 1HB LYS 57 0.516 14.561 -0.137 429 1HG LYS 57 2HG LYS 57 2.206 15.828 -2.166 430 2HG LYS 57 1HG LYS 57 0.900 16.885 -1.635 431 1HD LYS 57 2HD LYS 57 2.266 15.424 0.543 432 2HD LYS 57 1HD LYS 57 3.272 16.598 -0.305 433 1HE LYS 57 2HE LYS 57 1.057 18.092 -0.015 434 2HE LYS 57 1HE LYS 57 0.860 17.040 1.387 435 1HZ LYS 57 3HZ LYS 57 3.432 18.376 0.823 436 2HZ LYS 57 2HZ LYS 57 2.198 19.172 1.677 437 3HZ LYS 57 1HZ LYS 57 2.869 17.737 2.290 438 H GLY 58 HN GLY 58 -0.620 12.895 -3.652 439 1HA GLY 58 2HA GLY 58 -1.105 13.599 -5.874 440 2HA GLY 58 1HA GLY 58 0.316 14.643 -5.825 441 H ALA 59 HN ALA 59 0.158 11.166 -5.118 442 HA ALA 59 HA ALA 59 1.864 10.683 -7.527 443 1HB ALA 59 1HB ALA 59 2.929 10.622 -5.083 444 2HB ALA 59 3HB ALA 59 2.227 9.004 -5.079 445 3HB ALA 59 2HB ALA 59 3.403 9.452 -6.315 446 H GLU 60 HN GLU 60 1.829 8.301 -8.145 447 HA GLU 60 HA GLU 60 -0.823 7.076 -7.496 448 1HB GLU 60 2HB GLU 60 0.492 7.588 -10.141 449 2HB GLU 60 1HB GLU 60 -0.504 6.144 -9.959 450 1HG GLU 60 2HG GLU 60 -2.195 7.876 -8.854 451 2HG GLU 60 1HG GLU 60 -1.304 9.024 -9.852 452 H ILE 61 HN ILE 61 -0.574 5.095 -6.612 453 HA ILE 61 HA ILE 61 1.952 3.597 -7.190 454 HB ILE 61 HB ILE 61 1.522 2.461 -4.994 455 1HG1 ILE 61 2HG1 ILE 61 -0.594 4.615 -4.682 456 2HG1 ILE 61 1HG1 ILE 61 -0.946 2.914 -4.992 457 1HG2 ILE 61 1HG2 ILE 61 3.033 4.424 -5.182 458 2HG2 ILE 61 3HG2 ILE 61 1.664 5.490 -4.866 459 3HG2 ILE 61 2HG2 ILE 61 2.218 4.372 -3.619 460 1HD1 ILE 61 2HD1 ILE 61 0.748 2.691 -2.871 461 2HD1 ILE 61 1HD1 ILE 61 -0.027 4.231 -2.503 462 3HD1 ILE 61 3HD1 ILE 61 -1.007 2.781 -2.714 463 H THR 62 HN THR 62 1.764 1.498 -7.944 464 HA THR 62 HA THR 62 -1.019 0.532 -8.451 465 HB THR 62 HB THR 62 1.334 -0.620 -9.889 466 HG1 THR 62 HG1 THR 62 1.722 1.146 -10.956 467 1HG2 THR 62 2HG2 THR 62 -1.003 -1.423 -10.222 468 2HG2 THR 62 1HG2 THR 62 -1.448 0.191 -10.776 469 3HG2 THR 62 3HG2 THR 62 -0.293 -0.770 -11.698 470 H ILE 63 HN ILE 63 -1.546 -0.911 -6.881 471 HA ILE 63 HA ILE 63 0.523 -2.722 -5.778 472 HB ILE 63 HB ILE 63 -2.379 -2.246 -5.015 473 1HG1 ILE 63 2HG1 ILE 63 0.209 -1.487 -3.622 474 2HG1 ILE 63 1HG1 ILE 63 -0.783 -0.377 -4.567 475 1HG2 ILE 63 1HG2 ILE 63 -0.255 -4.074 -3.881 476 2HG2 ILE 63 3HG2 ILE 63 -1.607 -3.504 -2.901 477 3HG2 ILE 63 2HG2 ILE 63 -1.912 -4.474 -4.343 478 1HD1 ILE 63 2HD1 ILE 63 -2.671 -1.399 -2.908 479 2HD1 ILE 63 1HD1 ILE 63 -1.254 -1.499 -1.862 480 3HD1 ILE 63 3HD1 ILE 63 -1.743 0.056 -2.538 481 H SER 64 HN SER 64 0.117 -5.063 -5.728 482 HA SER 64 HA SER 64 -1.943 -6.099 -7.571 483 1HB SER 64 2HB SER 64 0.024 -7.527 -8.611 484 2HB SER 64 1HB SER 64 -0.334 -5.921 -9.236 485 HG SER 64 HG SER 64 1.921 -6.788 -8.189 486 H ALA 65 HN ALA 65 -2.884 -7.486 -6.137 487 HA ALA 65 HA ALA 65 -1.212 -9.088 -4.297 488 1HB ALA 65 2HB ALA 65 -3.395 -8.003 -3.588 489 2HB ALA 65 1HB ALA 65 -4.223 -9.155 -4.634 490 3HB ALA 65 3HB ALA 65 -3.287 -9.732 -3.256 491 H SER 66 HN SER 66 -0.555 -11.120 -4.855 492 HA SER 66 HA SER 66 -2.207 -12.668 -6.792 493 1HB SER 66 2HB SER 66 0.718 -12.968 -7.066 494 2HB SER 66 1HB SER 66 -0.529 -12.964 -8.304 495 HG SER 66 HG SER 66 0.095 -10.992 -8.649 496 H GLY 67 HN GLY 67 -2.839 -14.372 -5.554 497 1HA GLY 67 2HA GLY 67 -1.074 -16.413 -4.734 498 2HA GLY 67 1HA GLY 67 -1.362 -15.400 -3.318 499 H ALA 68 HN ALA 68 -2.653 -16.828 -2.146 500 HA ALA 68 HA ALA 68 -4.921 -18.193 -3.405 501 1HB ALA 68 3HB ALA 68 -3.936 -17.984 -0.550 502 2HB ALA 68 2HB ALA 68 -5.403 -18.858 -0.989 503 3HB ALA 68 1HB ALA 68 -3.842 -19.379 -1.624 504 H ASP 69 HN ASP 69 -4.722 -15.936 -0.630 505 HA ASP 69 HA ASP 69 -7.480 -15.023 -1.264 506 1HB ASP 69 2HB ASP 69 -7.303 -13.879 0.976 507 2HB ASP 69 1HB ASP 69 -7.140 -15.633 1.055 508 H GLU 70 HN GLU 70 -5.447 -14.212 -3.047 509 HA GLU 70 HA GLU 70 -4.254 -11.708 -2.481 510 1HB GLU 70 2HB GLU 70 -4.350 -11.379 -5.022 511 2HB GLU 70 1HB GLU 70 -3.491 -12.797 -4.432 512 1HG GLU 70 2HG GLU 70 -4.808 -14.075 -5.736 513 2HG GLU 70 1HG GLU 70 -6.183 -13.615 -4.743 514 H ASN 71 HN ASN 71 -7.433 -12.327 -4.047 515 HA ASN 71 HA ASN 71 -8.137 -9.593 -4.397 516 1HB ASN 71 2HB ASN 71 -9.637 -12.171 -4.250 517 2HB ASN 71 1HB ASN 71 -10.559 -10.675 -4.096 518 1HD2 ASN 71 2HD2 ASN 71 -9.376 -9.564 -7.432 519 2HD2 ASN 71 1HD2 ASN 71 -9.353 -8.941 -5.853 520 H ASP 72 HN ASP 72 -8.507 -11.763 -1.625 521 HA ASP 72 HA ASP 72 -10.124 -9.927 -0.077 522 1HB ASP 72 2HB ASP 72 -8.409 -12.225 0.898 523 2HB ASP 72 1HB ASP 72 -9.734 -11.460 1.774 524 H ALA 73 HN ALA 73 -6.689 -10.236 -0.621 525 HA ALA 73 HA ALA 73 -5.938 -8.777 1.796 526 1HB ALA 73 3HB ALA 73 -4.474 -10.445 0.524 527 2HB ALA 73 2HB ALA 73 -4.218 -9.154 -0.651 528 3HB ALA 73 1HB ALA 73 -3.707 -8.937 1.023 529 H LEU 74 HN LEU 74 -6.038 -7.961 -1.697 530 HA LEU 74 HA LEU 74 -5.135 -5.288 -1.388 531 1HB LEU 74 2HB LEU 74 -6.196 -4.868 -3.595 532 2HB LEU 74 1HB LEU 74 -5.214 -6.328 -3.573 533 HG LEU 74 HG LEU 74 -7.576 -7.407 -2.873 534 1HD1 LEU 74 2HD1 LEU 74 -8.395 -4.859 -3.311 535 2HD1 LEU 74 1HD1 LEU 74 -8.553 -5.507 -4.946 536 3HD1 LEU 74 3HD1 LEU 74 -9.426 -6.259 -3.609 537 1HD2 LEU 74 1HD2 LEU 74 -6.229 -6.875 -5.478 538 2HD2 LEU 74 3HD2 LEU 74 -6.578 -8.412 -4.691 539 3HD2 LEU 74 2HD2 LEU 74 -7.859 -7.546 -5.539 540 H ASN 75 HN ASN 75 -8.491 -6.547 -1.394 541 HA ASN 75 HA ASN 75 -9.647 -3.924 -1.061 542 1HB ASN 75 2HB ASN 75 -11.738 -5.078 -0.536 543 2HB ASN 75 1HB ASN 75 -10.964 -5.849 -1.916 544 1HD2 ASN 75 2HD2 ASN 75 -11.973 -8.236 1.001 545 2HD2 ASN 75 1HD2 ASN 75 -12.764 -6.814 0.518 546 H ALA 76 HN ALA 76 -8.279 -6.264 1.163 547 HA ALA 76 HA ALA 76 -9.448 -5.244 3.581 548 1HB ALA 76 3HB ALA 76 -7.835 -7.342 3.053 549 2HB ALA 76 2HB ALA 76 -6.631 -6.208 3.656 550 3HB ALA 76 1HB ALA 76 -8.001 -6.662 4.669 551 H LEU 77 HN LEU 77 -6.257 -4.577 2.087 552 HA LEU 77 HA LEU 77 -5.558 -2.456 3.866 553 1HB LEU 77 2HB LEU 77 -4.695 -2.770 0.981 554 2HB LEU 77 1HB LEU 77 -3.842 -1.896 2.251 555 HG LEU 77 HG LEU 77 -4.354 -4.579 3.172 556 1HD1 LEU 77 2HD1 LEU 77 -4.312 -4.725 0.496 557 2HD1 LEU 77 1HD1 LEU 77 -2.572 -4.706 0.785 558 3HD1 LEU 77 3HD1 LEU 77 -3.574 -5.963 1.512 559 1HD2 LEU 77 1HD2 LEU 77 -1.873 -3.004 2.435 560 2HD2 LEU 77 3HD2 LEU 77 -2.546 -3.261 4.044 561 3HD2 LEU 77 2HD2 LEU 77 -1.811 -4.605 3.172 562 H GLU 78 HN GLU 78 -7.560 -2.543 0.974 563 HA GLU 78 HA GLU 78 -7.563 0.251 0.372 564 1HB GLU 78 2HB GLU 78 -8.485 -1.525 -1.120 565 2HB GLU 78 1HB GLU 78 -9.829 -1.732 0.000 566 1HG GLU 78 2HG GLU 78 -10.844 0.213 -0.643 567 2HG GLU 78 1HG GLU 78 -9.312 1.054 -0.875 568 H GLU 79 HN GLU 79 -9.937 -1.640 2.296 569 HA GLU 79 HA GLU 79 -11.486 0.592 3.133 570 1HB GLU 79 2HB GLU 79 -12.242 -0.915 4.985 571 2HB GLU 79 1HB GLU 79 -12.316 -1.678 3.397 572 1HG GLU 79 2HG GLU 79 -10.380 -2.975 3.798 573 2HG GLU 79 1HG GLU 79 -9.890 -1.973 5.166 574 H THR 80 HN THR 80 -8.433 -0.669 4.308 575 HA THR 80 HA THR 80 -8.459 0.744 6.839 576 HB THR 80 HB THR 80 -6.067 -0.196 5.226 577 HG1 THR 80 HG1 THR 80 -7.505 -1.542 7.262 578 1HG2 THR 80 3HG2 THR 80 -6.448 0.327 8.187 579 2HG2 THR 80 2HG2 THR 80 -4.975 -0.286 7.436 580 3HG2 THR 80 1HG2 THR 80 -5.537 1.347 7.074 581 H MET 81 HN MET 81 -7.431 1.481 3.560 582 HA MET 81 HA MET 81 -6.056 3.945 4.200 583 1HB MET 81 2HB MET 81 -7.298 2.984 1.601 584 2HB MET 81 1HB MET 81 -6.207 4.359 1.754 585 1HG MET 81 2HG MET 81 -5.356 1.689 2.827 586 2HG MET 81 1HG MET 81 -5.249 1.996 1.094 587 1HE MET 81 2HE MET 81 -3.272 2.543 0.142 588 2HE MET 81 1HE MET 81 -3.951 4.168 0.074 589 3HE MET 81 3HE MET 81 -2.259 3.931 0.532 590 H LYS 82 HN LYS 82 -9.372 3.050 3.455 591 HA LYS 82 HA LYS 82 -10.270 5.824 3.181 592 1HB LYS 82 2HB LYS 82 -11.687 3.155 3.286 593 2HB LYS 82 1HB LYS 82 -12.568 4.683 3.235 594 1HG LYS 82 2HG LYS 82 -11.921 5.146 1.070 595 2HG LYS 82 1HG LYS 82 -10.389 4.287 1.234 596 1HD LYS 82 2HD LYS 82 -11.474 2.148 1.050 597 2HD LYS 82 1HD LYS 82 -13.072 2.885 1.171 598 1HE LYS 82 2HE LYS 82 -11.321 3.890 -1.011 599 2HE LYS 82 1HE LYS 82 -11.938 2.248 -1.194 600 1HZ LYS 82 2HZ LYS 82 -13.694 4.518 -0.477 601 2HZ LYS 82 1HZ LYS 82 -13.369 4.107 -2.093 602 3HZ LYS 82 3HZ LYS 82 -14.139 2.991 -1.075 603 H SER 83 HN SER 83 -9.858 3.543 5.777 604 HA SER 83 HA SER 83 -11.807 4.476 7.620 605 1HB SER 83 2HB SER 83 -10.486 3.415 9.319 606 2HB SER 83 1HB SER 83 -10.310 2.438 7.864 607 HG SER 83 HG SER 83 -8.349 3.169 9.154 608 H GLU 84 HN GLU 84 -8.522 5.655 6.931 609 HA GLU 84 HA GLU 84 -9.072 7.983 8.726 610 1HB GLU 84 2HB GLU 84 -6.481 6.707 7.823 611 2HB GLU 84 1HB GLU 84 -6.543 8.282 8.614 612 1HG GLU 84 2HG GLU 84 -8.009 6.026 9.909 613 2HG GLU 84 1HG GLU 84 -6.248 6.028 10.019 614 H GLY 85 HN GLY 85 -7.472 7.130 5.641 615 1HA GLY 85 2HA GLY 85 -8.317 8.477 3.653 616 2HA GLY 85 1HA GLY 85 -8.103 9.894 4.682 617 H LEU 86 HN LEU 86 -6.086 7.032 3.941 618 HA LEU 86 HA LEU 86 -3.691 8.736 3.856 619 1HB LEU 86 2HB LEU 86 -4.130 5.762 3.511 620 2HB LEU 86 1HB LEU 86 -2.547 6.527 3.373 621 HG LEU 86 HG LEU 86 -4.347 6.751 5.802 622 1HD1 LEU 86 3HD1 LEU 86 -3.198 4.459 5.123 623 2HD1 LEU 86 2HD1 LEU 86 -1.759 5.247 5.769 624 3HD1 LEU 86 1HD1 LEU 86 -3.174 5.015 6.796 625 1HD2 LEU 86 2HD2 LEU 86 -1.612 7.768 5.061 626 2HD2 LEU 86 1HD2 LEU 86 -2.938 8.625 5.846 627 3HD2 LEU 86 3HD2 LEU 86 -1.998 7.440 6.750 628 H GLY 87 HN GLY 87 -5.017 6.288 1.591 629 1HA GLY 87 2HA GLY 87 -4.507 8.162 -0.655 630 2HA GLY 87 1HA GLY 87 -3.688 6.600 -0.696 631 H GLU 88 HN GLU 88 -6.369 8.177 -1.801 632 HA GLU 88 HA GLU 88 -7.741 5.604 -2.356 633 1HB GLU 88 2HB GLU 88 -9.953 6.724 -1.884 634 2HB GLU 88 1HB GLU 88 -8.969 6.435 -0.451 635 1HG GLU 88 2HG GLU 88 -8.452 9.030 -1.759 636 2HG GLU 88 1HG GLU 88 -10.085 8.861 -1.117 No H/Q in entry = 636
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