![]() |
NMR Restraints Grid |
![]() |
Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
![]() |
11703 |
1rw2 ![]() ![]() |
5907 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 -64.664 -27.714 27.773 2 2H MET 1 2H MET 1 -65.852 -28.546 28.645 3 3H MET 1 3H MET 1 -65.958 -28.441 26.960 4 HA MET 1 HA MET 1 -63.853 -29.861 28.483 5 1HB MET 1 1HB MET 1 -64.866 -31.898 27.508 6 2HB MET 1 2HB MET 1 -65.968 -31.044 28.582 7 1HG MET 1 1HG MET 1 -67.136 -30.102 26.688 8 2HG MET 1 2HG MET 1 -65.993 -30.857 25.579 9 1HE MET 1 1HE MET 1 -69.249 -32.906 24.913 10 2HE MET 1 2HE MET 1 -68.011 -31.852 24.229 11 3HE MET 1 3HE MET 1 -69.206 -31.199 25.350 12 H HIS 2 H HIS 2 -64.908 -28.443 25.526 13 HA HIS 2 HA HIS 2 -62.646 -29.664 24.090 14 1HB HIS 2 1HB HIS 2 -63.832 -28.976 22.018 15 2HB HIS 2 2HB HIS 2 -64.763 -30.100 23.002 16 HD1 HIS 2 HD1 HIS 2 -64.868 -26.735 21.517 17 HD2 HIS 2 HD2 HIS 2 -66.980 -28.883 24.379 18 HE1 HIS 2 HE1 HIS 2 -67.007 -25.462 21.870 19 HE2 HIS 2 HE2 HIS 2 -68.238 -26.741 23.659 20 H HIS 3 H HIS 3 -61.206 -28.375 22.950 21 HA HIS 3 HA HIS 3 -61.488 -25.485 23.063 22 1HB HIS 3 1HB HIS 3 -60.374 -26.071 25.191 23 2HB HIS 3 2HB HIS 3 -59.101 -26.886 24.289 24 HD1 HIS 3 HD1 HIS 3 -60.390 -23.477 25.149 25 HD2 HIS 3 HD2 HIS 3 -57.198 -25.209 23.128 26 HE1 HIS 3 HE1 HIS 3 -58.756 -21.608 24.743 27 HE2 HIS 3 HE2 HIS 3 -56.788 -22.703 23.614 28 H HIS 4 H HIS 4 -60.245 -24.391 21.536 29 HA HIS 4 HA HIS 4 -58.572 -26.026 19.764 30 1HB HIS 4 1HB HIS 4 -60.964 -25.730 18.895 31 2HB HIS 4 2HB HIS 4 -60.559 -24.032 18.680 32 HD1 HIS 4 HD1 HIS 4 -60.564 -23.947 16.164 33 HD2 HIS 4 HD2 HIS 4 -58.151 -26.980 17.662 34 HE1 HIS 4 HE1 HIS 4 -59.316 -24.856 14.180 35 HE2 HIS 4 HE2 HIS 4 -57.935 -26.753 15.097 36 H HIS 5 H HIS 5 -57.025 -24.838 18.540 37 HA HIS 5 HA HIS 5 -55.396 -23.273 18.281 38 1HB HIS 5 1HB HIS 5 -57.639 -21.379 19.015 39 2HB HIS 5 2HB HIS 5 -56.091 -20.892 18.337 40 HD1 HIS 5 HD1 HIS 5 -59.337 -21.136 17.244 41 HD2 HIS 5 HD2 HIS 5 -55.791 -22.722 15.771 42 HE1 HIS 5 HE1 HIS 5 -59.772 -21.615 14.814 43 HE2 HIS 5 HE2 HIS 5 -57.583 -22.484 13.923 44 H HIS 6 H HIS 6 -54.677 -20.994 19.554 45 HA HIS 6 HA HIS 6 -53.611 -20.183 21.387 46 1HB HIS 6 1HB HIS 6 -55.636 -21.765 22.980 47 2HB HIS 6 2HB HIS 6 -54.683 -20.398 23.549 48 HD1 HIS 6 HD1 HIS 6 -57.934 -21.187 22.287 49 HD2 HIS 6 HD2 HIS 6 -55.356 -17.945 21.941 50 HE1 HIS 6 HE1 HIS 6 -59.372 -19.260 21.554 51 HE2 HIS 6 HE2 HIS 6 -57.774 -17.337 21.249 52 H HIS 7 H HIS 7 -53.100 -23.006 20.279 53 HA HIS 7 HA HIS 7 -51.924 -24.350 22.563 54 1HB HIS 7 1HB HIS 7 -51.994 -25.038 19.621 55 2HB HIS 7 2HB HIS 7 -51.203 -26.034 20.838 56 HD1 HIS 7 HD1 HIS 7 -52.805 -27.129 22.657 57 HD2 HIS 7 HD2 HIS 7 -54.707 -25.395 19.394 58 HE1 HIS 7 HE1 HIS 7 -55.153 -28.032 22.687 59 HE2 HIS 7 HE2 HIS 7 -56.291 -26.955 20.717 60 H LYS 8 H LYS 8 -50.958 -22.216 20.030 61 HA LYS 8 HA LYS 8 -48.987 -21.233 19.478 62 1HB LYS 8 1HB LYS 8 -48.241 -22.100 22.275 63 2HB LYS 8 2HB LYS 8 -47.298 -20.992 21.290 64 1HG LYS 8 1HG LYS 8 -49.231 -19.459 21.224 65 2HG LYS 8 2HG LYS 8 -50.100 -20.555 22.300 66 1HD LYS 8 1HD LYS 8 -47.452 -19.274 22.967 67 2HD LYS 8 2HD LYS 8 -49.017 -18.617 23.452 68 1HE LYS 8 1HE LYS 8 -49.496 -20.696 24.666 69 2HE LYS 8 2HE LYS 8 -47.917 -21.326 24.200 70 1HZ LYS 8 1HZ LYS 8 -46.868 -19.541 25.426 71 2HZ LYS 8 2HZ LYS 8 -47.905 -20.407 26.443 72 3HZ LYS 8 3HZ LYS 8 -48.375 -18.896 25.846 73 H LEU 9 H LEU 9 -48.215 -22.435 17.823 74 HA LEU 9 HA LEU 9 -46.305 -24.569 18.517 75 1HB LEU 9 1HB LEU 9 -48.252 -25.605 17.569 76 2HB LEU 9 2HB LEU 9 -48.274 -24.468 16.235 77 HG LEU 9 HG LEU 9 -46.093 -25.438 15.468 78 1HD1 LEU 9 1HD1 LEU 9 -46.700 -27.427 17.644 79 2HD1 LEU 9 2HD1 LEU 9 -45.283 -26.385 17.512 80 3HD1 LEU 9 3HD1 LEU 9 -45.529 -27.690 16.352 81 1HD2 LEU 9 1HD2 LEU 9 -48.197 -26.092 14.441 82 2HD2 LEU 9 2HD2 LEU 9 -48.436 -27.325 15.678 83 3HD2 LEU 9 3HD2 LEU 9 -47.101 -27.470 14.536 84 H LYS 10 H LYS 10 -47.195 -22.028 16.229 85 HA LYS 10 HA LYS 10 -44.701 -22.211 14.797 86 1HB LYS 10 1HB LYS 10 -46.746 -21.539 13.633 87 2HB LYS 10 2HB LYS 10 -46.906 -20.143 14.689 88 1HG LYS 10 1HG LYS 10 -46.026 -19.470 12.546 89 2HG LYS 10 2HG LYS 10 -44.804 -19.242 13.798 90 1HD LYS 10 1HD LYS 10 -43.780 -20.196 11.826 91 2HD LYS 10 2HD LYS 10 -43.770 -21.385 13.129 92 1HE LYS 10 1HE LYS 10 -44.393 -22.417 11.011 93 2HE LYS 10 2HE LYS 10 -45.732 -22.471 12.157 94 1HZ LYS 10 1HZ LYS 10 -45.431 -20.503 9.952 95 2HZ LYS 10 2HZ LYS 10 -46.721 -20.572 11.044 96 3HZ LYS 10 3HZ LYS 10 -46.475 -21.835 9.948 97 H THR 11 H THR 11 -42.871 -21.155 15.211 98 HA THR 11 HA THR 11 -42.748 -19.406 17.525 99 HB THR 11 HB THR 11 -40.512 -20.349 15.718 100 HG1 THR 11 HG1 THR 11 -40.167 -21.902 17.334 101 1HG2 THR 11 1HG2 THR 11 -40.470 -19.067 18.452 102 2HG2 THR 11 2HG2 THR 11 -39.911 -18.340 16.945 103 3HG2 THR 11 3HG2 THR 11 -39.064 -19.731 17.619 104 H GLU 12 H GLU 12 -42.121 -17.262 17.512 105 HA GLU 12 HA GLU 12 -42.537 -15.873 14.989 106 1HB GLU 12 1HB GLU 12 -42.217 -14.841 17.814 107 2HB GLU 12 2HB GLU 12 -42.521 -13.825 16.410 108 1HG GLU 12 1HG GLU 12 -44.344 -15.981 17.452 109 2HG GLU 12 2HG GLU 12 -44.555 -14.246 17.679 110 H GLN 13 H GLN 13 -40.781 -15.821 13.734 111 HA GLN 13 HA GLN 13 -38.688 -15.384 12.978 112 1HB GLN 13 1HB GLN 13 -38.551 -13.551 15.379 113 2HB GLN 13 2HB GLN 13 -37.497 -13.493 13.971 114 1HG GLN 13 1HG GLN 13 -39.394 -12.929 12.558 115 2HG GLN 13 2HG GLN 13 -40.471 -13.023 13.951 116 1HE2 GLN 13 1HE2 GLN 13 -38.011 -11.186 12.341 117 2HE2 GLN 13 2HE2 GLN 13 -38.186 -9.744 13.276 118 H GLY 14 H GLY 14 -37.705 -14.800 16.309 119 1HA GLY 14 1HA GLY 14 -36.585 -16.248 17.782 120 2HA GLY 14 2HA GLY 14 -36.496 -17.448 16.502 121 H GLY 15 H GLY 15 -35.118 -14.420 17.682 122 1HA GLY 15 1HA GLY 15 -32.568 -14.668 17.731 123 2HA GLY 15 2HA GLY 15 -32.747 -14.902 16.000 124 H ALA 16 H ALA 16 -31.127 -12.912 16.903 125 HA ALA 16 HA ALA 16 -32.471 -10.405 17.138 126 1HB ALA 16 1HB ALA 16 -29.589 -10.968 16.446 127 2HB ALA 16 2HB ALA 16 -30.238 -10.787 18.076 128 3HB ALA 16 3HB ALA 16 -30.255 -9.418 16.963 129 H HIS 17 H HIS 17 -32.571 -8.711 15.615 130 HA HIS 17 HA HIS 17 -31.797 -9.187 12.875 131 1HB HIS 17 1HB HIS 17 -34.137 -8.822 12.018 132 2HB HIS 17 2HB HIS 17 -33.869 -10.374 12.804 133 HD1 HIS 17 HD1 HIS 17 -35.116 -10.820 15.004 134 HD2 HIS 17 HD2 HIS 17 -35.862 -7.066 13.386 135 HE1 HIS 17 HE1 HIS 17 -37.082 -9.913 16.285 136 HE2 HIS 17 HE2 HIS 17 -37.577 -7.685 15.218 137 H PHE 18 H PHE 18 -31.480 -7.329 11.765 138 HA PHE 18 HA PHE 18 -32.769 -4.868 12.336 139 1HB PHE 18 1HB PHE 18 -30.965 -5.333 14.242 140 2HB PHE 18 2HB PHE 18 -29.871 -4.685 13.026 141 HD1 PHE 18 HD1 PHE 18 -33.205 -3.870 14.498 142 HD2 PHE 18 HD2 PHE 18 -29.436 -2.438 13.135 143 HE1 PHE 18 HE1 PHE 18 -33.833 -1.588 15.167 144 HE2 PHE 18 HE2 PHE 18 -30.060 -0.153 13.800 145 HZ PHE 18 HZ PHE 18 -32.261 0.274 14.819 146 H SER 19 H SER 19 -30.815 -3.080 11.447 147 HA SER 19 HA SER 19 -30.794 -3.686 8.645 148 1HB SER 19 1HB SER 19 -29.457 -1.368 10.042 149 2HB SER 19 2HB SER 19 -29.903 -1.484 8.339 150 HG SER 19 HG SER 19 -31.355 -0.353 10.006 151 H VAL 20 H VAL 20 -29.002 -3.948 7.296 152 HA VAL 20 HA VAL 20 -26.665 -5.078 8.653 153 HB VAL 20 HB VAL 20 -27.377 -5.269 5.725 154 1HG1 VAL 20 1HG1 VAL 20 -25.023 -5.660 6.212 155 2HG1 VAL 20 2HG1 VAL 20 -25.820 -7.160 5.731 156 3HG1 VAL 20 3HG1 VAL 20 -25.463 -6.856 7.431 157 1HG2 VAL 20 1HG2 VAL 20 -27.933 -7.241 7.940 158 2HG2 VAL 20 2HG2 VAL 20 -28.229 -7.503 6.222 159 3HG2 VAL 20 3HG2 VAL 20 -29.139 -6.271 7.094 160 H SER 21 H SER 21 -24.583 -4.429 8.232 161 HA SER 21 HA SER 21 -22.877 -3.013 7.759 162 1HB SER 21 1HB SER 21 -24.567 -2.352 5.337 163 2HB SER 21 2HB SER 21 -22.872 -1.910 5.545 164 HG SER 21 HG SER 21 -22.668 -4.338 5.916 165 H SER 22 H SER 22 -25.279 -0.916 6.251 166 HA SER 22 HA SER 22 -25.985 1.190 6.717 167 1HB SER 22 1HB SER 22 -25.481 0.359 9.585 168 2HB SER 22 2HB SER 22 -26.407 1.771 9.077 169 HG SER 22 HG SER 22 -27.169 -0.657 7.976 170 H LEU 23 H LEU 23 -22.974 0.375 6.680 171 HA LEU 23 HA LEU 23 -21.817 2.697 8.012 172 1HB LEU 23 1HB LEU 23 -20.862 0.266 7.945 173 2HB LEU 23 2HB LEU 23 -20.261 0.734 6.367 174 HG LEU 23 HG LEU 23 -18.537 0.974 8.067 175 1HD1 LEU 23 1HD1 LEU 23 -19.512 3.659 7.109 176 2HD1 LEU 23 2HD1 LEU 23 -18.523 2.530 6.182 177 3HD1 LEU 23 3HD1 LEU 23 -17.878 3.273 7.646 178 1HD2 LEU 23 1HD2 LEU 23 -20.305 3.032 9.369 179 2HD2 LEU 23 2HD2 LEU 23 -18.734 2.455 9.924 180 3HD2 LEU 23 3HD2 LEU 23 -20.129 1.375 9.942 181 H ALA 24 H ALA 24 -21.321 1.219 4.804 182 HA ALA 24 HA ALA 24 -21.813 3.770 3.509 183 1HB ALA 24 1HB ALA 24 -19.135 2.409 3.225 184 2HB ALA 24 2HB ALA 24 -19.436 3.890 4.134 185 3HB ALA 24 3HB ALA 24 -19.667 3.866 2.385 186 H GLU 25 H GLU 25 -23.479 2.836 2.373 187 HA GLU 25 HA GLU 25 -22.893 0.482 0.741 188 1HB GLU 25 1HB GLU 25 -24.965 0.504 2.103 189 2HB GLU 25 2HB GLU 25 -25.528 1.896 1.187 190 1HG GLU 25 1HG GLU 25 -26.580 -0.106 0.368 191 2HG GLU 25 2HG GLU 25 -25.495 0.542 -0.860 192 H GLY 26 H GLY 26 -24.912 3.346 0.098 193 1HA GLY 26 1HA GLY 26 -24.320 3.299 -2.687 194 2HA GLY 26 2HA GLY 26 -25.169 4.579 -1.830 195 H SER 27 H SER 27 -24.189 6.492 -1.860 196 HA SER 27 HA SER 27 -21.514 6.778 -2.806 197 1HB SER 27 1HB SER 27 -23.341 8.821 -1.516 198 2HB SER 27 2HB SER 27 -21.838 9.184 -2.364 199 HG SER 27 HG SER 27 -24.288 8.818 -3.378 200 H VAL 28 H VAL 28 -22.769 8.250 0.159 201 HA VAL 28 HA VAL 28 -21.807 8.627 2.184 202 HB VAL 28 HB VAL 28 -20.915 5.773 1.758 203 1HG1 VAL 28 1HG1 VAL 28 -19.550 6.876 3.464 204 2HG1 VAL 28 2HG1 VAL 28 -20.614 5.656 4.170 205 3HG1 VAL 28 3HG1 VAL 28 -21.016 7.367 4.317 206 1HG2 VAL 28 1HG2 VAL 28 -23.318 6.023 1.688 207 2HG2 VAL 28 2HG2 VAL 28 -23.294 6.959 3.184 208 3HG2 VAL 28 3HG2 VAL 28 -22.849 5.253 3.204 209 H THR 29 H THR 29 -19.220 6.397 1.428 210 HA THR 29 HA THR 29 -17.386 8.468 0.650 211 HB THR 29 HB THR 29 -16.390 7.045 3.040 212 HG1 THR 29 HG1 THR 29 -17.778 7.894 4.402 213 1HG2 THR 29 1HG2 THR 29 -16.265 9.906 2.082 214 2HG2 THR 29 2HG2 THR 29 -15.022 8.675 1.859 215 3HG2 THR 29 3HG2 THR 29 -15.401 9.260 3.478 216 H SER 30 H SER 30 -15.016 7.396 0.811 217 HA SER 30 HA SER 30 -15.271 4.862 -0.634 218 1HB SER 30 1HB SER 30 -12.846 6.643 -0.403 219 2HB SER 30 2HB SER 30 -13.086 5.301 -1.520 220 HG SER 30 HG SER 30 -13.675 7.813 -1.931 221 H VAL 31 H VAL 31 -13.594 3.209 -0.277 222 HA VAL 31 HA VAL 31 -12.459 1.734 1.031 223 HB VAL 31 HB VAL 31 -11.948 4.022 2.928 224 1HG1 VAL 31 1HG1 VAL 31 -9.863 2.672 3.362 225 2HG1 VAL 31 2HG1 VAL 31 -10.622 1.367 2.447 226 3HG1 VAL 31 3HG1 VAL 31 -11.372 1.957 3.931 227 1HG2 VAL 31 1HG2 VAL 31 -10.393 3.181 0.483 228 2HG2 VAL 31 2HG2 VAL 31 -9.843 4.350 1.684 229 3HG2 VAL 31 3HG2 VAL 31 -11.267 4.699 0.703 230 H GLY 32 H GLY 32 -13.211 0.205 2.355 231 1HA GLY 32 1HA GLY 32 -15.667 0.565 3.731 232 2HA GLY 32 2HA GLY 32 -14.640 -0.860 3.808 233 H SER 33 H SER 33 -12.760 -0.756 5.263 234 HA SER 33 HA SER 33 -13.062 1.170 7.452 235 1HB SER 33 1HB SER 33 -14.277 -0.836 8.150 236 2HB SER 33 2HB SER 33 -12.861 -1.830 7.812 237 HG SER 33 HG SER 33 -12.886 0.307 9.676 238 H VAL 34 H VAL 34 -11.202 2.230 7.265 239 HA VAL 34 HA VAL 34 -8.997 2.727 7.120 240 HB VAL 34 HB VAL 34 -9.260 1.509 9.392 241 1HG1 VAL 34 1HG1 VAL 34 -7.689 -0.535 7.836 242 2HG1 VAL 34 2HG1 VAL 34 -9.193 -0.771 8.724 243 3HG1 VAL 34 3HG1 VAL 34 -7.700 -0.440 9.596 244 1HG2 VAL 34 1HG2 VAL 34 -6.526 1.805 8.160 245 2HG2 VAL 34 2HG2 VAL 34 -6.912 1.841 9.879 246 3HG2 VAL 34 3HG2 VAL 34 -7.496 3.122 8.817 247 H ASN 35 H ASN 35 -6.735 1.859 6.579 248 HA ASN 35 HA ASN 35 -5.321 0.959 5.050 249 1HB ASN 35 1HB ASN 35 -6.281 -1.162 6.170 250 2HB ASN 35 2HB ASN 35 -7.192 -1.360 4.676 251 1HD2 ASN 35 1HD2 ASN 35 -6.135 -3.229 4.105 252 2HD2 ASN 35 2HD2 ASN 35 -4.492 -3.248 3.574 253 HA PRO 36 HA PRO 36 -7.563 2.329 1.381 254 1HB PRO 36 1HB PRO 36 -5.480 3.445 0.110 255 2HB PRO 36 2HB PRO 36 -6.249 4.246 1.488 256 1HG PRO 36 1HG PRO 36 -3.738 2.617 1.401 257 2HG PRO 36 2HG PRO 36 -4.047 4.153 2.230 258 1HD PRO 36 1HD PRO 36 -4.108 1.724 3.477 259 2HD PRO 36 2HD PRO 36 -5.050 3.126 4.019 260 H ALA 37 H ALA 37 -5.072 0.117 1.881 261 HA ALA 37 HA ALA 37 -4.751 -0.705 -0.869 262 1HB ALA 37 1HB ALA 37 -2.840 -0.813 0.603 263 2HB ALA 37 2HB ALA 37 -3.280 -2.442 0.091 264 3HB ALA 37 3HB ALA 37 -3.709 -1.879 1.706 265 H GLU 38 H GLU 38 -6.854 -1.435 1.743 266 HA GLU 38 HA GLU 38 -7.425 -4.119 1.307 267 1HB GLU 38 1HB GLU 38 -9.390 -3.813 2.548 268 2HB GLU 38 2HB GLU 38 -8.285 -2.599 3.172 269 1HG GLU 38 1HG GLU 38 -9.392 -0.864 1.969 270 2HG GLU 38 2HG GLU 38 -10.379 -2.028 1.089 271 H ASN 39 H ASN 39 -8.448 -1.289 -0.493 272 HA ASN 39 HA ASN 39 -10.523 -2.462 -1.978 273 1HB ASN 39 1HB ASN 39 -8.578 -0.255 -2.699 274 2HB ASN 39 2HB ASN 39 -9.948 -0.708 -3.709 275 1HD2 ASN 39 1HD2 ASN 39 -12.031 -0.246 -3.021 276 2HD2 ASN 39 2HD2 ASN 39 -12.352 0.874 -1.745 277 H PHE 40 H PHE 40 -7.103 -1.982 -2.876 278 HA PHE 40 HA PHE 40 -7.060 -3.453 -5.207 279 1HB PHE 40 1HB PHE 40 -4.912 -2.785 -5.063 280 2HB PHE 40 2HB PHE 40 -5.112 -2.416 -3.354 281 HD1 PHE 40 HD1 PHE 40 -4.134 -5.025 -5.763 282 HD2 PHE 40 HD2 PHE 40 -4.257 -3.866 -1.675 283 HE1 PHE 40 HE1 PHE 40 -2.658 -6.903 -5.188 284 HE2 PHE 40 HE2 PHE 40 -2.783 -5.744 -1.091 285 HZ PHE 40 HZ PHE 40 -1.983 -7.267 -2.852 286 H ARG 41 H ARG 41 -6.713 -4.523 -1.863 287 HA ARG 41 HA ARG 41 -6.232 -7.225 -2.317 288 1HB ARG 41 1HB ARG 41 -7.553 -5.779 -0.043 289 2HB ARG 41 2HB ARG 41 -7.302 -7.522 -0.035 290 1HG ARG 41 1HG ARG 41 -4.957 -7.280 -0.036 291 2HG ARG 41 2HG ARG 41 -5.065 -5.561 -0.428 292 1HD ARG 41 1HD ARG 41 -5.813 -4.993 1.695 293 2HD ARG 41 2HD ARG 41 -6.300 -6.653 2.061 294 HE ARG 41 HE ARG 41 -3.473 -6.352 1.652 295 1HH1 ARG 41 1HH1 ARG 41 -6.063 -6.103 3.970 296 2HH1 ARG 41 2HH1 ARG 41 -5.034 -6.364 5.340 297 1HH2 ARG 41 1HH2 ARG 41 -2.111 -6.698 3.452 298 2HH2 ARG 41 2HH2 ARG 41 -2.789 -6.701 5.045 299 H VAL 42 H VAL 42 -9.217 -5.390 -2.169 300 HA VAL 42 HA VAL 42 -11.005 -7.549 -2.153 301 HB VAL 42 HB VAL 42 -11.253 -4.678 -2.988 302 1HG1 VAL 42 1HG1 VAL 42 -13.667 -5.075 -3.428 303 2HG1 VAL 42 2HG1 VAL 42 -13.351 -6.810 -3.387 304 3HG1 VAL 42 3HG1 VAL 42 -12.607 -5.806 -4.630 305 1HG2 VAL 42 1HG2 VAL 42 -11.323 -5.328 -0.607 306 2HG2 VAL 42 2HG2 VAL 42 -12.725 -6.342 -0.953 307 3HG2 VAL 42 3HG2 VAL 42 -12.830 -4.594 -1.160 308 H LEU 43 H LEU 43 -9.677 -5.654 -4.874 309 HA LEU 43 HA LEU 43 -11.011 -7.146 -6.862 310 1HB LEU 43 1HB LEU 43 -8.410 -5.640 -7.094 311 2HB LEU 43 2HB LEU 43 -9.389 -6.201 -8.441 312 HG LEU 43 HG LEU 43 -11.191 -4.725 -6.999 313 1HD1 LEU 43 1HD1 LEU 43 -9.075 -4.080 -5.662 314 2HD1 LEU 43 2HD1 LEU 43 -10.233 -2.831 -6.126 315 3HD1 LEU 43 3HD1 LEU 43 -8.738 -3.036 -7.042 316 1HD2 LEU 43 1HD2 LEU 43 -9.400 -3.663 -9.178 317 2HD2 LEU 43 2HD2 LEU 43 -11.034 -3.130 -8.781 318 3HD2 LEU 43 3HD2 LEU 43 -10.769 -4.741 -9.454 319 H VAL 44 H VAL 44 -7.860 -7.654 -5.300 320 HA VAL 44 HA VAL 44 -7.118 -9.757 -7.072 321 HB VAL 44 HB VAL 44 -5.280 -10.234 -5.658 322 1HG1 VAL 44 1HG1 VAL 44 -5.656 -7.285 -5.296 323 2HG1 VAL 44 2HG1 VAL 44 -5.370 -8.010 -6.876 324 3HG1 VAL 44 3HG1 VAL 44 -4.170 -8.180 -5.596 325 1HG2 VAL 44 1HG2 VAL 44 -5.009 -9.483 -3.406 326 2HG2 VAL 44 2HG2 VAL 44 -6.566 -10.302 -3.530 327 3HG2 VAL 44 3HG2 VAL 44 -6.500 -8.539 -3.486 328 H LYS 45 H LYS 45 -8.980 -9.585 -4.136 329 HA LYS 45 HA LYS 45 -9.042 -12.487 -3.872 330 1HB LYS 45 1HB LYS 45 -10.083 -12.170 -1.781 331 2HB LYS 45 2HB LYS 45 -8.902 -10.872 -1.889 332 1HG LYS 45 1HG LYS 45 -10.650 -9.304 -2.497 333 2HG LYS 45 2HG LYS 45 -11.848 -10.599 -2.459 334 1HD LYS 45 1HD LYS 45 -12.013 -9.419 -0.396 335 2HD LYS 45 2HD LYS 45 -11.239 -10.966 -0.054 336 1HE LYS 45 1HE LYS 45 -9.041 -9.839 -0.126 337 2HE LYS 45 2HE LYS 45 -9.864 -8.300 -0.373 338 1HZ LYS 45 1HZ LYS 45 -10.981 -8.629 1.767 339 2HZ LYS 45 2HZ LYS 45 -9.299 -8.579 1.937 340 3HZ LYS 45 3HZ LYS 45 -10.111 -10.061 2.006 341 H GLN 46 H GLN 46 -10.732 -10.040 -5.457 342 HA GLN 46 HA GLN 46 -13.118 -11.741 -5.735 343 1HB GLN 46 1HB GLN 46 -12.893 -8.742 -6.114 344 2HB GLN 46 2HB GLN 46 -14.354 -9.695 -6.349 345 1HG GLN 46 1HG GLN 46 -12.864 -9.410 -3.756 346 2HG GLN 46 2HG GLN 46 -14.311 -8.510 -4.198 347 1HE2 GLN 46 1HE2 GLN 46 -13.025 -11.603 -3.272 348 2HE2 GLN 46 2HE2 GLN 46 -14.537 -12.355 -2.915 349 H LYS 47 H LYS 47 -14.266 -10.883 -7.970 350 HA LYS 47 HA LYS 47 -12.400 -11.713 -10.040 351 1HB LYS 47 1HB LYS 47 -14.339 -11.937 -11.450 352 2HB LYS 47 2HB LYS 47 -14.713 -12.644 -9.883 353 1HG LYS 47 1HG LYS 47 -15.859 -10.529 -9.267 354 2HG LYS 47 2HG LYS 47 -15.585 -9.952 -10.911 355 1HD LYS 47 1HD LYS 47 -17.722 -10.810 -11.070 356 2HD LYS 47 2HD LYS 47 -16.750 -12.190 -11.583 357 1HE LYS 47 1HE LYS 47 -17.794 -11.744 -8.788 358 2HE LYS 47 2HE LYS 47 -18.534 -12.805 -9.986 359 1HZ LYS 47 1HZ LYS 47 -17.171 -14.082 -8.500 360 2HZ LYS 47 2HZ LYS 47 -15.827 -13.102 -8.804 361 3HZ LYS 47 3HZ LYS 47 -16.453 -14.082 -10.032 362 H LYS 48 H LYS 48 -13.228 -8.880 -8.648 363 HA LYS 48 HA LYS 48 -13.817 -7.004 -10.523 364 1HB LYS 48 1HB LYS 48 -11.700 -6.521 -8.457 365 2HB LYS 48 2HB LYS 48 -12.906 -5.398 -9.070 366 1HG LYS 48 1HG LYS 48 -13.860 -7.847 -7.701 367 2HG LYS 48 2HG LYS 48 -13.152 -6.565 -6.716 368 1HD LYS 48 1HD LYS 48 -15.228 -5.888 -8.750 369 2HD LYS 48 2HD LYS 48 -15.718 -6.592 -7.206 370 1HE LYS 48 1HE LYS 48 -14.351 -4.805 -6.089 371 2HE LYS 48 2HE LYS 48 -14.188 -4.046 -7.674 372 1HZ LYS 48 1HZ LYS 48 -16.007 -3.066 -6.442 373 2HZ LYS 48 2HZ LYS 48 -16.744 -4.578 -6.254 374 3HZ LYS 48 3HZ LYS 48 -16.608 -3.889 -7.794 375 H ALA 49 H ALA 49 -10.441 -7.413 -9.470 376 HA ALA 49 HA ALA 49 -9.570 -7.167 -12.269 377 1HB ALA 49 1HB ALA 49 -9.506 -4.945 -11.172 378 2HB ALA 49 2HB ALA 49 -7.930 -5.517 -11.718 379 3HB ALA 49 3HB ALA 49 -8.356 -5.602 -10.007 380 H SER 50 H SER 50 -7.230 -7.657 -12.528 381 HA SER 50 HA SER 50 -6.550 -10.070 -11.130 382 1HB SER 50 1HB SER 50 -4.453 -9.927 -12.552 383 2HB SER 50 2HB SER 50 -5.969 -9.966 -13.459 384 HG SER 50 HG SER 50 -4.406 -8.334 -14.127 385 H PHE 51 H PHE 51 -4.299 -10.317 -10.167 386 HA PHE 51 HA PHE 51 -4.007 -8.562 -8.012 387 1HB PHE 51 1HB PHE 51 -3.118 -10.902 -8.111 388 2HB PHE 51 2HB PHE 51 -1.825 -10.313 -9.155 389 HD1 PHE 51 HD1 PHE 51 -0.002 -9.040 -8.275 390 HD2 PHE 51 HD2 PHE 51 -3.237 -10.216 -5.776 391 HE1 PHE 51 HE1 PHE 51 1.301 -8.394 -6.291 392 HE2 PHE 51 HE2 PHE 51 -1.943 -9.571 -3.791 393 HZ PHE 51 HZ PHE 51 0.329 -8.659 -4.043 394 H GLU 52 H GLU 52 -2.983 -8.247 -11.256 395 HA GLU 52 HA GLU 52 -0.852 -6.396 -10.646 396 1HB GLU 52 1HB GLU 52 -0.258 -6.524 -12.870 397 2HB GLU 52 2HB GLU 52 -1.031 -8.083 -12.625 398 1HG GLU 52 1HG GLU 52 -3.097 -7.190 -13.609 399 2HG GLU 52 2HG GLU 52 -2.272 -5.662 -13.908 400 H GLU 53 H GLU 53 -4.037 -6.167 -12.258 401 HA GLU 53 HA GLU 53 -3.950 -3.352 -12.564 402 1HB GLU 53 1HB GLU 53 -5.515 -4.579 -13.889 403 2HB GLU 53 2HB GLU 53 -6.240 -5.319 -12.472 404 1HG GLU 53 1HG GLU 53 -7.275 -3.304 -11.828 405 2HG GLU 53 2HG GLU 53 -6.322 -2.362 -12.975 406 H ALA 54 H ALA 54 -5.033 -5.479 -10.020 407 HA ALA 54 HA ALA 54 -6.323 -3.539 -8.428 408 1HB ALA 54 1HB ALA 54 -6.105 -5.212 -6.631 409 2HB ALA 54 2HB ALA 54 -5.048 -6.165 -7.675 410 3HB ALA 54 3HB ALA 54 -6.732 -5.900 -8.128 411 H SER 55 H SER 55 -3.063 -5.008 -8.179 412 HA SER 55 HA SER 55 -2.184 -3.327 -6.094 413 1HB SER 55 1HB SER 55 -0.547 -4.700 -8.246 414 2HB SER 55 2HB SER 55 0.100 -3.995 -6.764 415 HG SER 55 HG SER 55 -0.452 -6.382 -6.887 416 H ASN 56 H ASN 56 -2.425 -2.975 -9.526 417 HA ASN 56 HA ASN 56 -0.743 -0.752 -9.883 418 1HB ASN 56 1HB ASN 56 -2.977 -2.016 -11.418 419 2HB ASN 56 2HB ASN 56 -2.517 -0.372 -11.859 420 1HD2 ASN 56 1HD2 ASN 56 0.284 -0.794 -11.120 421 2HD2 ASN 56 2HD2 ASN 56 0.965 -1.764 -12.377 422 H GLN 57 H GLN 57 -4.247 -0.974 -9.329 423 HA GLN 57 HA GLN 57 -4.670 1.816 -9.221 424 1HB GLN 57 1HB GLN 57 -6.226 -0.580 -8.320 425 2HB GLN 57 2HB GLN 57 -6.746 1.028 -7.831 426 1HG GLN 57 1HG GLN 57 -6.785 1.671 -10.234 427 2HG GLN 57 2HG GLN 57 -6.450 -0.013 -10.636 428 1HE2 GLN 57 1HE2 GLN 57 -8.067 -1.028 -8.429 429 2HE2 GLN 57 2HE2 GLN 57 -9.714 -0.818 -8.906 430 H LEU 58 H LEU 58 -3.597 -0.546 -6.891 431 HA LEU 58 HA LEU 58 -4.013 1.005 -4.558 432 1HB LEU 58 1HB LEU 58 -3.290 -1.539 -4.935 433 2HB LEU 58 2HB LEU 58 -1.687 -0.865 -4.741 434 HG LEU 58 HG LEU 58 -3.843 -1.251 -2.717 435 1HD1 LEU 58 1HD1 LEU 58 -0.849 -1.280 -2.423 436 2HD1 LEU 58 2HD1 LEU 58 -1.780 -2.676 -2.971 437 3HD1 LEU 58 3HD1 LEU 58 -2.059 -2.006 -1.364 438 1HD2 LEU 58 1HD2 LEU 58 -1.851 1.012 -2.605 439 2HD2 LEU 58 2HD2 LEU 58 -2.770 0.413 -1.224 440 3HD2 LEU 58 3HD2 LEU 58 -3.610 1.143 -2.593 441 H ILE 59 H ILE 59 -1.045 0.462 -6.504 442 HA ILE 59 HA ILE 59 0.499 2.367 -5.088 443 HB ILE 59 HB ILE 59 0.948 1.684 -7.999 444 1HG1 ILE 59 1HG1 ILE 59 2.334 0.052 -5.972 445 2HG1 ILE 59 2HG1 ILE 59 0.607 -0.260 -6.112 446 1HG2 ILE 59 1HG2 ILE 59 3.291 2.005 -7.415 447 2HG2 ILE 59 2HG2 ILE 59 2.833 2.345 -5.746 448 3HG2 ILE 59 3HG2 ILE 59 2.333 3.436 -7.039 449 1HD1 ILE 59 1HD1 ILE 59 1.873 -1.760 -7.522 450 2HD1 ILE 59 2HD1 ILE 59 2.619 -0.390 -8.347 451 3HD1 ILE 59 3HD1 ILE 59 0.884 -0.678 -8.502 452 H ASN 60 H ASN 60 -1.649 2.537 -7.871 453 HA ASN 60 HA ASN 60 -1.025 5.105 -8.795 454 1HB ASN 60 1HB ASN 60 -3.342 3.272 -9.043 455 2HB ASN 60 2HB ASN 60 -3.630 4.966 -9.426 456 1HD2 ASN 60 1HD2 ASN 60 -2.568 5.896 -11.176 457 2HD2 ASN 60 2HD2 ASN 60 -1.820 4.943 -12.408 458 H HIS 61 H HIS 61 -3.445 4.009 -6.442 459 HA HIS 61 HA HIS 61 -4.435 6.557 -5.777 460 1HB HIS 61 1HB HIS 61 -5.826 5.151 -4.695 461 2HB HIS 61 2HB HIS 61 -4.654 3.837 -4.801 462 HD1 HIS 61 HD1 HIS 61 -2.779 3.868 -2.866 463 HD2 HIS 61 HD2 HIS 61 -6.213 6.089 -2.180 464 HE1 HIS 61 HE1 HIS 61 -2.817 4.286 -0.403 465 HE2 HIS 61 HE2 HIS 61 -4.938 5.583 0.013 466 H ILE 62 H ILE 62 -1.731 4.639 -4.720 467 HA ILE 62 HA ILE 62 -0.843 6.295 -2.615 468 HB ILE 62 HB ILE 62 0.607 4.303 -4.352 469 1HG1 ILE 62 1HG1 ILE 62 -1.204 3.517 -2.806 470 2HG1 ILE 62 2HG1 ILE 62 0.380 2.816 -2.512 471 1HG2 ILE 62 1HG2 ILE 62 2.256 5.862 -3.587 472 2HG2 ILE 62 2HG2 ILE 62 2.402 4.377 -2.645 473 3HG2 ILE 62 3HG2 ILE 62 1.621 5.793 -1.941 474 1HD1 ILE 62 1HD1 ILE 62 -0.885 5.047 -0.938 475 2HD1 ILE 62 2HD1 ILE 62 0.703 4.340 -0.633 476 3HD1 ILE 62 3HD1 ILE 62 -0.751 3.360 -0.436 477 H GLU 63 H GLU 63 -0.534 6.422 -6.079 478 HA GLU 63 HA GLU 63 1.647 8.267 -6.146 479 1HB GLU 63 1HB GLU 63 -0.446 7.522 -8.198 480 2HB GLU 63 2HB GLU 63 0.832 8.686 -8.513 481 1HG GLU 63 1HG GLU 63 2.508 6.980 -8.112 482 2HG GLU 63 2HG GLU 63 1.249 5.808 -7.743 483 H GLN 64 H GLN 64 -1.883 8.519 -6.261 484 HA GLN 64 HA GLN 64 -2.109 11.283 -6.581 485 1HB GLN 64 1HB GLN 64 -3.941 9.404 -6.414 486 2HB GLN 64 2HB GLN 64 -3.923 9.797 -4.700 487 1HG GLN 64 1HG GLN 64 -4.511 11.712 -6.947 488 2HG GLN 64 2HG GLN 64 -5.696 10.977 -5.869 489 1HE2 GLN 64 1HE2 GLN 64 -5.806 11.655 -3.721 490 2HE2 GLN 64 2HE2 GLN 64 -5.109 13.147 -3.199 491 H PHE 65 H PHE 65 -1.918 9.328 -3.607 492 HA PHE 65 HA PHE 65 -1.781 11.453 -1.796 493 1HB PHE 65 1HB PHE 65 -1.816 9.654 -0.436 494 2HB PHE 65 2HB PHE 65 -1.238 8.594 -1.721 495 HD1 PHE 65 HD1 PHE 65 0.756 7.548 -1.408 496 HD2 PHE 65 HD2 PHE 65 0.079 11.280 0.517 497 HE1 PHE 65 HE1 PHE 65 2.975 7.417 -0.373 498 HE2 PHE 65 HE2 PHE 65 2.300 11.146 1.560 499 HZ PHE 65 HZ PHE 65 3.750 9.216 1.108 500 H LEU 66 H LEU 66 0.856 9.631 -3.366 501 HA LEU 66 HA LEU 66 2.968 11.115 -2.341 502 1HB LEU 66 1HB LEU 66 2.651 9.458 -4.818 503 2HB LEU 66 2HB LEU 66 4.138 10.363 -4.544 504 HG LEU 66 HG LEU 66 2.997 8.277 -2.673 505 1HD1 LEU 66 1HD1 LEU 66 4.759 6.833 -3.413 506 2HD1 LEU 66 2HD1 LEU 66 5.406 8.093 -4.465 507 3HD1 LEU 66 3HD1 LEU 66 3.837 7.369 -4.819 508 1HD2 LEU 66 1HD2 LEU 66 5.696 9.621 -2.597 509 2HD2 LEU 66 2HD2 LEU 66 5.034 8.480 -1.425 510 3HD2 LEU 66 3HD2 LEU 66 4.328 10.090 -1.583 511 H ASP 67 H ASP 67 0.598 11.972 -4.634 512 HA ASP 67 HA ASP 67 2.121 14.066 -5.875 513 1HB ASP 67 1HB ASP 67 0.096 12.961 -6.927 514 2HB ASP 67 2HB ASP 67 -0.893 13.825 -5.757 515 H THR 68 H THR 68 -0.207 13.732 -3.232 516 HA THR 68 HA THR 68 -0.314 16.483 -2.548 517 HB THR 68 HB THR 68 -1.836 14.529 -1.692 518 HG1 THR 68 HG1 THR 68 -2.491 15.895 -0.057 519 1HG2 THR 68 1HG2 THR 68 0.500 13.819 -0.356 520 2HG2 THR 68 2HG2 THR 68 -1.123 13.208 -0.040 521 3HG2 THR 68 3HG2 THR 68 -0.506 14.581 0.875 522 H ASN 69 H ASN 69 0.380 16.953 -0.047 523 HA ASN 69 HA ASN 69 3.282 16.436 0.019 524 1HB ASN 69 1HB ASN 69 1.657 18.832 0.854 525 2HB ASN 69 2HB ASN 69 3.340 18.617 1.345 526 1HD2 ASN 69 1HD2 ASN 69 4.961 18.730 -0.219 527 2HD2 ASN 69 2HD2 ASN 69 4.687 19.439 -1.771 528 H GLU 70 H GLU 70 0.558 15.453 1.465 529 HA GLU 70 HA GLU 70 1.291 15.665 4.242 530 1HB GLU 70 1HB GLU 70 -0.747 13.750 3.146 531 2HB GLU 70 2HB GLU 70 -0.740 14.580 4.694 532 1HG GLU 70 1HG GLU 70 -0.926 16.185 2.196 533 2HG GLU 70 2HG GLU 70 -2.351 15.321 2.768 534 H THR 71 H THR 71 2.258 14.122 5.534 535 HA THR 71 HA THR 71 3.304 11.783 4.114 536 HB THR 71 HB THR 71 4.913 11.538 5.995 537 HG1 THR 71 HG1 THR 71 5.104 13.228 7.455 538 1HG2 THR 71 1HG2 THR 71 4.989 14.168 4.501 539 2HG2 THR 71 2HG2 THR 71 5.526 12.609 3.876 540 3HG2 THR 71 3HG2 THR 71 6.370 13.351 5.236 541 HA PRO 72 HA PRO 72 1.062 10.222 8.279 542 1HB PRO 72 1HB PRO 72 -1.528 10.894 6.966 543 2HB PRO 72 2HB PRO 72 -1.128 10.823 8.686 544 1HG PRO 72 1HG PRO 72 -1.396 13.153 7.418 545 2HG PRO 72 2HG PRO 72 -0.185 12.916 8.692 546 1HD PRO 72 1HD PRO 72 0.177 13.130 5.754 547 2HD PRO 72 2HD PRO 72 1.281 13.585 7.067 548 H TYR 73 H TYR 73 0.335 10.523 4.942 549 HA TYR 73 HA TYR 73 -0.600 7.814 4.581 550 1HB TYR 73 1HB TYR 73 -0.109 9.953 2.510 551 2HB TYR 73 2HB TYR 73 -1.118 8.524 2.332 552 HD1 TYR 73 HD1 TYR 73 -1.808 11.534 1.950 553 HD2 TYR 73 HD2 TYR 73 -2.401 8.809 5.159 554 HE1 TYR 73 HE1 TYR 73 -3.748 12.845 2.697 555 HE2 TYR 73 HE2 TYR 73 -4.347 10.109 5.913 556 HH TYR 73 HH TYR 73 -5.790 12.528 4.014 557 H PHE 74 H PHE 74 2.460 9.451 4.425 558 HA PHE 74 HA PHE 74 3.565 7.820 2.377 559 1HB PHE 74 1HB PHE 74 5.493 9.004 2.538 560 2HB PHE 74 2HB PHE 74 4.381 10.143 3.253 561 HD1 PHE 74 HD1 PHE 74 7.446 9.878 3.379 562 HD2 PHE 74 HD2 PHE 74 4.344 8.782 6.067 563 HE1 PHE 74 HE1 PHE 74 8.993 10.148 5.267 564 HE2 PHE 74 HE2 PHE 74 5.887 9.046 7.961 565 HZ PHE 74 HZ PHE 74 8.215 9.732 7.564 566 H MET 75 H MET 75 3.558 7.527 5.892 567 HA MET 75 HA MET 75 5.183 5.147 5.792 568 1HB MET 75 1HB MET 75 3.855 5.013 8.205 569 2HB MET 75 2HB MET 75 5.404 5.804 7.943 570 1HG MET 75 1HG MET 75 4.560 7.853 8.188 571 2HG MET 75 2HG MET 75 3.034 7.465 7.404 572 1HE MET 75 1HE MET 75 1.949 9.111 9.287 573 2HE MET 75 2HE MET 75 3.504 9.308 10.096 574 3HE MET 75 3HE MET 75 2.084 8.816 11.020 575 H LYS 76 H LYS 76 1.851 6.076 5.791 576 HA LYS 76 HA LYS 76 0.727 3.481 6.018 577 1HB LYS 76 1HB LYS 76 -0.581 5.490 6.495 578 2HB LYS 76 2HB LYS 76 -0.371 6.042 4.843 579 1HG LYS 76 1HG LYS 76 -1.490 3.485 4.656 580 2HG LYS 76 2HG LYS 76 -2.364 4.317 5.943 581 1HD LYS 76 1HD LYS 76 -3.393 4.658 3.736 582 2HD LYS 76 2HD LYS 76 -2.852 6.169 4.465 583 1HE LYS 76 1HE LYS 76 -0.954 6.277 3.051 584 2HE LYS 76 2HE LYS 76 -1.190 4.620 2.490 585 1HZ LYS 76 1HZ LYS 76 -1.918 6.213 0.833 586 2HZ LYS 76 2HZ LYS 76 -2.990 6.919 1.932 587 3HZ LYS 76 3HZ LYS 76 -3.242 5.332 1.408 588 H SER 77 H SER 77 2.171 5.360 3.507 589 HA SER 77 HA SER 77 1.156 3.891 1.277 590 1HB SER 77 1HB SER 77 2.538 5.192 -0.038 591 2HB SER 77 2HB SER 77 2.476 6.222 1.393 592 HG SER 77 HG SER 77 4.600 6.007 0.941 593 H ILE 78 H ILE 78 4.109 3.870 3.218 594 HA ILE 78 HA ILE 78 5.391 1.708 2.036 595 HB ILE 78 HB ILE 78 5.782 3.263 4.357 596 1HG1 ILE 78 1HG1 ILE 78 8.008 2.207 4.382 597 2HG1 ILE 78 2HG1 ILE 78 7.421 0.938 3.311 598 1HG2 ILE 78 1HG2 ILE 78 4.587 1.534 5.636 599 2HG2 ILE 78 2HG2 ILE 78 6.281 1.681 6.110 600 3HG2 ILE 78 3HG2 ILE 78 5.763 0.336 5.089 601 1HD1 ILE 78 1HD1 ILE 78 8.772 2.845 2.285 602 2HD1 ILE 78 2HD1 ILE 78 7.314 3.821 2.525 603 3HD1 ILE 78 3HD1 ILE 78 7.255 2.384 1.498 604 H ASP 79 H ASP 79 2.796 1.912 4.374 605 HA ASP 79 HA ASP 79 2.588 -0.822 4.995 606 1HB ASP 79 1HB ASP 79 0.877 1.576 5.299 607 2HB ASP 79 2HB ASP 79 0.067 0.023 5.412 608 H CYS 80 H CYS 80 0.962 1.157 2.508 609 HA CYS 80 HA CYS 80 -0.719 -0.850 1.496 610 1HB CYS 80 1HB CYS 80 -1.141 0.571 -0.259 611 2HB CYS 80 2HB CYS 80 -0.407 1.729 0.847 612 HG CYS 80 HG CYS 80 2.212 0.974 -0.452 613 H ILE 81 H ILE 81 2.597 0.054 0.842 614 HA ILE 81 HA ILE 81 3.151 -1.715 -1.228 615 HB ILE 81 HB ILE 81 4.853 -0.418 0.879 616 1HG1 ILE 81 1HG1 ILE 81 5.504 -0.169 -1.978 617 2HG1 ILE 81 2HG1 ILE 81 3.916 0.450 -1.531 618 1HG2 ILE 81 1HG2 ILE 81 5.744 -2.523 -1.071 619 2HG2 ILE 81 2HG2 ILE 81 5.950 -2.493 0.681 620 3HG2 ILE 81 3HG2 ILE 81 6.852 -1.365 -0.332 621 1HD1 ILE 81 1HD1 ILE 81 5.599 2.195 -1.464 622 2HD1 ILE 81 2HD1 ILE 81 6.537 1.260 -0.299 623 3HD1 ILE 81 3HD1 ILE 81 4.950 1.885 0.147 624 H ARG 82 H ARG 82 3.226 -1.967 2.250 625 HA ARG 82 HA ARG 82 4.202 -4.616 2.459 626 1HB ARG 82 1HB ARG 82 3.007 -2.577 4.233 627 2HB ARG 82 2HB ARG 82 2.746 -4.240 4.738 628 1HG ARG 82 1HG ARG 82 4.669 -3.596 5.854 629 2HG ARG 82 2HG ARG 82 5.277 -4.511 4.475 630 1HD ARG 82 1HD ARG 82 5.658 -2.362 3.288 631 2HD ARG 82 2HD ARG 82 5.146 -1.506 4.737 632 HE ARG 82 HE ARG 82 7.646 -2.938 4.349 633 1HH1 ARG 82 1HH1 ARG 82 5.497 -1.279 6.533 634 2HH1 ARG 82 2HH1 ARG 82 6.717 -1.013 7.734 635 1HH2 ARG 82 1HH2 ARG 82 9.256 -2.596 5.929 636 2HH2 ARG 82 2HH2 ARG 82 8.851 -1.760 7.391 637 H ALA 83 H ALA 83 1.141 -3.203 1.744 638 HA ALA 83 HA ALA 83 -0.558 -5.339 2.499 639 1HB ALA 83 1HB ALA 83 -1.193 -2.923 1.944 640 2HB ALA 83 2HB ALA 83 -2.272 -4.206 1.397 641 3HB ALA 83 3HB ALA 83 -1.163 -3.446 0.256 642 H PHE 84 H PHE 84 0.517 -4.316 -0.770 643 HA PHE 84 HA PHE 84 -0.375 -6.832 -1.840 644 1HB PHE 84 1HB PHE 84 0.647 -6.046 -3.992 645 2HB PHE 84 2HB PHE 84 -0.600 -5.009 -3.324 646 HD1 PHE 84 HD1 PHE 84 3.055 -5.209 -2.575 647 HD2 PHE 84 HD2 PHE 84 -0.193 -2.911 -4.066 648 HE1 PHE 84 HE1 PHE 84 4.534 -3.269 -2.810 649 HE2 PHE 84 HE2 PHE 84 1.285 -0.964 -4.303 650 HZ PHE 84 HZ PHE 84 3.657 -1.142 -3.679 651 H ARG 85 H ARG 85 2.441 -5.788 -0.323 652 HA ARG 85 HA ARG 85 4.411 -7.294 -1.595 653 1HB ARG 85 1HB ARG 85 4.091 -5.928 0.953 654 2HB ARG 85 2HB ARG 85 5.061 -7.383 1.110 655 1HG ARG 85 1HG ARG 85 6.599 -6.587 -0.571 656 2HG ARG 85 2HG ARG 85 5.592 -5.163 -0.853 657 1HD ARG 85 1HD ARG 85 7.581 -4.772 0.620 658 2HD ARG 85 2HD ARG 85 6.030 -4.322 1.327 659 HE ARG 85 HE ARG 85 6.370 -6.836 2.225 660 1HH1 ARG 85 1HH1 ARG 85 8.456 -4.048 2.216 661 2HH1 ARG 85 2HH1 ARG 85 9.272 -4.495 3.676 662 1HH2 ARG 85 1HH2 ARG 85 7.435 -7.432 4.146 663 2HH2 ARG 85 2HH2 ARG 85 8.693 -6.419 4.774 664 H GLU 86 H GLU 86 2.691 -8.124 1.412 665 HA GLU 86 HA GLU 86 3.542 -10.815 1.451 666 1HB GLU 86 1HB GLU 86 1.180 -9.514 2.815 667 2HB GLU 86 2HB GLU 86 1.815 -11.108 3.195 668 1HG GLU 86 1HG GLU 86 3.903 -10.151 3.927 669 2HG GLU 86 2HG GLU 86 3.366 -8.544 3.444 670 H GLU 87 H GLU 87 0.561 -9.273 0.313 671 HA GLU 87 HA GLU 87 -0.919 -11.563 -0.234 672 1HB GLU 87 1HB GLU 87 -0.893 -8.858 -1.562 673 2HB GLU 87 2HB GLU 87 -2.029 -10.119 -2.019 674 1HG GLU 87 1HG GLU 87 -1.776 -8.805 0.673 675 2HG GLU 87 2HG GLU 87 -3.080 -8.599 -0.491 676 H ALA 88 H ALA 88 1.468 -9.888 -2.248 677 HA ALA 88 HA ALA 88 1.098 -11.357 -4.590 678 1HB ALA 88 1HB ALA 88 3.318 -10.635 -5.240 679 2HB ALA 88 2HB ALA 88 3.671 -10.163 -3.578 680 3HB ALA 88 3HB ALA 88 2.426 -9.310 -4.493 681 H ILE 89 H ILE 89 3.084 -12.053 -1.745 682 HA ILE 89 HA ILE 89 4.454 -14.268 -2.779 683 HB ILE 89 HB ILE 89 4.457 -12.963 -0.366 684 1HG1 ILE 89 1HG1 ILE 89 6.369 -14.068 -1.405 685 2HG1 ILE 89 2HG1 ILE 89 6.218 -14.557 0.280 686 1HG2 ILE 89 1HG2 ILE 89 3.421 -15.743 0.172 687 2HG2 ILE 89 2HG2 ILE 89 2.537 -14.242 0.445 688 3HG2 ILE 89 3HG2 ILE 89 3.992 -14.591 1.381 689 1HD1 ILE 89 1HD1 ILE 89 5.384 -16.162 -2.127 690 2HD1 ILE 89 2HD1 ILE 89 5.168 -16.654 -0.448 691 3HD1 ILE 89 3HD1 ILE 89 6.792 -16.448 -1.103 692 H LYS 90 H LYS 90 1.263 -13.933 -1.367 693 HA LYS 90 HA LYS 90 0.755 -16.784 -1.470 694 1HB LYS 90 1HB LYS 90 -1.139 -14.527 -0.794 695 2HB LYS 90 2HB LYS 90 -1.413 -16.241 -0.510 696 1HG LYS 90 1HG LYS 90 0.794 -14.639 0.767 697 2HG LYS 90 2HG LYS 90 -0.768 -14.972 1.517 698 1HD LYS 90 1HD LYS 90 1.141 -17.106 0.569 699 2HD LYS 90 2HD LYS 90 1.072 -16.509 2.228 700 1HE LYS 90 1HE LYS 90 -1.278 -17.205 2.366 701 2HE LYS 90 2HE LYS 90 -1.187 -17.821 0.716 702 1HZ LYS 90 1HZ LYS 90 -0.919 -19.578 2.368 703 2HZ LYS 90 2HZ LYS 90 0.442 -18.798 3.001 704 3HZ LYS 90 3HZ LYS 90 0.474 -19.409 1.424 705 H PHE 91 H PHE 91 0.395 -14.041 -3.469 706 HA PHE 91 HA PHE 91 -1.669 -15.289 -5.108 707 1HB PHE 91 1HB PHE 91 -0.676 -12.530 -4.744 708 2HB PHE 91 2HB PHE 91 -1.197 -12.955 -6.378 709 HD1 PHE 91 HD1 PHE 91 -3.513 -13.616 -6.799 710 HD2 PHE 91 HD2 PHE 91 -2.234 -12.365 -2.939 711 HE1 PHE 91 HE1 PHE 91 -5.858 -13.325 -6.120 712 HE2 PHE 91 HE2 PHE 91 -4.576 -12.071 -2.253 713 HZ PHE 91 HZ PHE 91 -6.393 -12.553 -3.845 714 H SER 92 H SER 92 1.592 -15.422 -4.888 715 HA SER 92 HA SER 92 3.246 -16.203 -6.224 716 1HB SER 92 1HB SER 92 0.939 -17.009 -7.999 717 2HB SER 92 2HB SER 92 2.601 -17.569 -8.183 718 HG SER 92 HG SER 92 2.062 -18.052 -5.713 719 H GLU 93 H GLU 93 2.575 -13.429 -6.505 720 HA GLU 93 HA GLU 93 3.178 -12.985 -9.352 721 1HB GLU 93 1HB GLU 93 1.668 -11.410 -7.337 722 2HB GLU 93 2HB GLU 93 2.620 -10.501 -8.508 723 1HG GLU 93 1HG GLU 93 0.338 -10.754 -9.269 724 2HG GLU 93 2HG GLU 93 1.445 -11.620 -10.332 725 H GLU 94 H GLU 94 5.366 -13.213 -9.401 726 HA GLU 94 HA GLU 94 7.039 -11.861 -7.461 727 1HB GLU 94 1HB GLU 94 8.911 -12.867 -8.734 728 2HB GLU 94 2HB GLU 94 7.731 -14.052 -8.195 729 1HG GLU 94 1HG GLU 94 6.747 -14.089 -10.432 730 2HG GLU 94 2HG GLU 94 7.942 -12.910 -10.971 731 H GLN 95 H GLN 95 6.398 -11.641 -10.951 732 HA GLN 95 HA GLN 95 8.188 -9.558 -11.506 733 1HB GLN 95 1HB GLN 95 6.788 -9.155 -13.515 734 2HB GLN 95 2HB GLN 95 7.193 -10.851 -13.294 735 1HG GLN 95 1HG GLN 95 4.983 -11.276 -12.375 736 2HG GLN 95 2HG GLN 95 4.575 -9.568 -12.541 737 1HE2 GLN 95 1HE2 GLN 95 2.855 -9.980 -13.904 738 2HE2 GLN 95 2HE2 GLN 95 3.066 -10.493 -15.539 739 H ARG 96 H ARG 96 4.823 -9.518 -10.458 740 HA ARG 96 HA ARG 96 4.325 -6.783 -10.682 741 1HB ARG 96 1HB ARG 96 3.033 -9.059 -9.581 742 2HB ARG 96 2HB ARG 96 3.043 -7.820 -8.338 743 1HG ARG 96 1HG ARG 96 2.162 -7.138 -11.106 744 2HG ARG 96 2HG ARG 96 1.064 -7.973 -10.006 745 1HD ARG 96 1HD ARG 96 0.631 -5.648 -9.785 746 2HD ARG 96 2HD ARG 96 1.505 -6.150 -8.338 747 HE ARG 96 HE ARG 96 3.521 -5.264 -9.757 748 1HH1 ARG 96 1HH1 ARG 96 0.328 -3.899 -9.494 749 2HH1 ARG 96 2HH1 ARG 96 0.861 -2.273 -9.758 750 1HH2 ARG 96 1HH2 ARG 96 4.233 -3.125 -10.103 751 2HH2 ARG 96 2HH2 ARG 96 3.080 -1.832 -10.102 752 H PHE 97 H PHE 97 6.288 -8.541 -8.469 753 HA PHE 97 HA PHE 97 6.277 -6.601 -6.387 754 1HB PHE 97 1HB PHE 97 6.939 -9.114 -6.278 755 2HB PHE 97 2HB PHE 97 8.519 -8.552 -6.814 756 HD1 PHE 97 HD1 PHE 97 9.508 -6.552 -5.408 757 HD2 PHE 97 HD2 PHE 97 6.521 -9.251 -4.027 758 HE1 PHE 97 HE1 PHE 97 10.104 -6.015 -3.082 759 HE2 PHE 97 HE2 PHE 97 7.109 -8.717 -1.699 760 HZ PHE 97 HZ PHE 97 8.902 -7.096 -1.224 761 H ASN 98 H ASN 98 8.853 -7.536 -8.682 762 HA ASN 98 HA ASN 98 10.458 -5.284 -8.115 763 1HB ASN 98 1HB ASN 98 11.534 -5.840 -10.362 764 2HB ASN 98 2HB ASN 98 11.549 -7.121 -9.154 765 1HD2 ASN 98 1HD2 ASN 98 10.321 -8.946 -9.465 766 2HD2 ASN 98 2HD2 ASN 98 9.580 -9.326 -10.977 767 H ASN 99 H ASN 99 7.612 -5.694 -9.960 768 HA ASN 99 HA ASN 99 8.042 -3.470 -11.703 769 1HB ASN 99 1HB ASN 99 6.512 -5.312 -12.304 770 2HB ASN 99 2HB ASN 99 5.460 -4.870 -10.959 771 1HD2 ASN 99 1HD2 ASN 99 7.128 -2.551 -12.975 772 2HD2 ASN 99 2HD2 ASN 99 5.718 -1.915 -13.743 773 H PHE 100 H PHE 100 5.977 -3.937 -8.797 774 HA PHE 100 HA PHE 100 5.148 -1.223 -8.753 775 1HB PHE 100 1HB PHE 100 4.117 -1.677 -6.695 776 2HB PHE 100 2HB PHE 100 4.099 -3.237 -7.500 777 HD1 PHE 100 HD1 PHE 100 4.841 -5.096 -6.347 778 HD2 PHE 100 HD2 PHE 100 6.167 -1.254 -5.097 779 HE1 PHE 100 HE1 PHE 100 5.954 -6.111 -4.402 780 HE2 PHE 100 HE2 PHE 100 7.289 -2.262 -3.156 781 HZ PHE 100 HZ PHE 100 7.181 -4.697 -2.804 782 H LEU 101 H LEU 101 7.902 -2.908 -7.468 783 HA LEU 101 HA LEU 101 8.717 -0.780 -5.757 784 1HB LEU 101 1HB LEU 101 9.290 -3.242 -5.561 785 2HB LEU 101 2HB LEU 101 10.432 -2.990 -6.862 786 HG LEU 101 HG LEU 101 11.981 -2.038 -5.503 787 1HD1 LEU 101 1HD1 LEU 101 10.561 -0.031 -5.099 788 2HD1 LEU 101 2HD1 LEU 101 11.561 -0.494 -3.725 789 3HD1 LEU 101 3HD1 LEU 101 9.836 -0.870 -3.729 790 1HD2 LEU 101 1HD2 LEU 101 11.346 -2.791 -3.001 791 2HD2 LEU 101 2HD2 LEU 101 11.894 -3.917 -4.241 792 3HD2 LEU 101 3HD2 LEU 101 10.172 -3.747 -3.903 793 H LYS 102 H LYS 102 9.875 -1.937 -8.939 794 HA LYS 102 HA LYS 102 11.785 0.185 -9.056 795 1HB LYS 102 1HB LYS 102 10.767 -1.636 -11.248 796 2HB LYS 102 2HB LYS 102 12.100 -0.512 -11.426 797 1HG LYS 102 1HG LYS 102 11.980 -3.076 -9.909 798 2HG LYS 102 2HG LYS 102 13.178 -2.514 -11.069 799 1HD LYS 102 1HD LYS 102 14.409 -2.175 -9.196 800 2HD LYS 102 2HD LYS 102 13.494 -0.670 -9.123 801 1HE LYS 102 1HE LYS 102 13.446 -1.716 -6.982 802 2HE LYS 102 2HE LYS 102 11.837 -1.751 -7.707 803 1HZ LYS 102 1HZ LYS 102 12.232 -4.055 -8.355 804 2HZ LYS 102 2HZ LYS 102 12.368 -3.866 -6.680 805 3HZ LYS 102 3HZ LYS 102 13.760 -4.018 -7.628 806 H ALA 103 H ALA 103 8.442 -0.122 -9.734 807 HA ALA 103 HA ALA 103 8.460 2.100 -11.552 808 1HB ALA 103 1HB ALA 103 6.088 0.723 -10.304 809 2HB ALA 103 2HB ALA 103 6.819 0.293 -11.850 810 3HB ALA 103 3HB ALA 103 6.044 1.863 -11.648 811 H LEU 104 H LEU 104 7.404 1.497 -8.206 812 HA LEU 104 HA LEU 104 6.470 4.135 -7.821 813 1HB LEU 104 1HB LEU 104 6.402 3.666 -5.476 814 2HB LEU 104 2HB LEU 104 5.873 2.235 -6.329 815 HG LEU 104 HG LEU 104 8.341 1.446 -6.007 816 1HD1 LEU 104 1HD1 LEU 104 8.277 2.986 -3.500 817 2HD1 LEU 104 2HD1 LEU 104 8.729 3.870 -4.956 818 3HD1 LEU 104 3HD1 LEU 104 9.647 2.445 -4.469 819 1HD2 LEU 104 1HD2 LEU 104 7.724 0.367 -3.957 820 2HD2 LEU 104 2HD2 LEU 104 6.299 0.466 -4.994 821 3HD2 LEU 104 3HD2 LEU 104 6.487 1.583 -3.642 822 H GLN 105 H GLN 105 9.611 2.574 -7.433 823 HA GLN 105 HA GLN 105 10.862 4.830 -6.242 824 1HB GLN 105 1HB GLN 105 12.136 3.047 -5.794 825 2HB GLN 105 2HB GLN 105 11.734 2.221 -7.296 826 1HG GLN 105 1HG GLN 105 14.093 2.759 -7.194 827 2HG GLN 105 2HG GLN 105 13.310 3.648 -8.497 828 1HE2 GLN 105 1HE2 GLN 105 14.984 5.166 -8.508 829 2HE2 GLN 105 2HE2 GLN 105 15.117 6.380 -7.285 830 H GLU 106 H GLU 106 10.999 3.544 -9.600 831 HA GLU 106 HA GLU 106 12.553 5.568 -10.666 832 1HB GLU 106 1HB GLU 106 11.669 5.032 -12.815 833 2HB GLU 106 2HB GLU 106 11.703 3.530 -11.900 834 1HG GLU 106 1HG GLU 106 9.355 3.654 -11.494 835 2HG GLU 106 2HG GLU 106 9.266 5.258 -12.223 836 H LYS 107 H LYS 107 9.181 5.530 -9.734 837 HA LYS 107 HA LYS 107 8.491 8.018 -10.906 838 1HB LYS 107 1HB LYS 107 6.719 6.544 -10.317 839 2HB LYS 107 2HB LYS 107 7.289 6.403 -8.662 840 1HG LYS 107 1HG LYS 107 6.702 8.735 -8.252 841 2HG LYS 107 2HG LYS 107 6.138 8.885 -9.917 842 1HD LYS 107 1HD LYS 107 4.297 8.530 -8.308 843 2HD LYS 107 2HD LYS 107 4.403 7.249 -9.517 844 1HE LYS 107 1HE LYS 107 4.028 6.567 -7.075 845 2HE LYS 107 2HE LYS 107 5.273 5.717 -7.987 846 1HZ LYS 107 1HZ LYS 107 6.010 6.350 -5.756 847 2HZ LYS 107 2HZ LYS 107 5.776 7.982 -6.136 848 3HZ LYS 107 3HZ LYS 107 6.949 7.082 -6.959 849 H VAL 108 H VAL 108 9.549 7.101 -7.598 850 HA VAL 108 HA VAL 108 9.436 9.697 -6.516 851 HB VAL 108 HB VAL 108 10.518 8.920 -4.650 852 1HG1 VAL 108 1HG1 VAL 108 9.872 6.724 -4.132 853 2HG1 VAL 108 2HG1 VAL 108 9.905 6.244 -5.827 854 3HG1 VAL 108 3HG1 VAL 108 8.666 7.360 -5.254 855 1HG2 VAL 108 1HG2 VAL 108 12.708 8.628 -5.370 856 2HG2 VAL 108 2HG2 VAL 108 12.266 7.343 -6.493 857 3HG2 VAL 108 3HG2 VAL 108 12.247 7.040 -4.756 858 H GLU 109 H GLU 109 11.599 8.197 -8.707 859 HA GLU 109 HA GLU 109 13.818 9.965 -8.350 860 1HB GLU 109 1HB GLU 109 14.011 7.685 -9.331 861 2HB GLU 109 2HB GLU 109 13.105 8.242 -10.733 862 1HG GLU 109 1HG GLU 109 15.446 8.206 -11.245 863 2HG GLU 109 2HG GLU 109 14.877 9.875 -11.205 864 H ILE 110 H ILE 110 11.352 9.623 -10.898 865 HA ILE 110 HA ILE 110 11.998 11.845 -12.417 866 HB ILE 110 HB ILE 110 9.481 10.317 -11.979 867 1HG1 ILE 110 1HG1 ILE 110 9.695 9.859 -14.356 868 2HG1 ILE 110 2HG1 ILE 110 11.018 11.013 -14.488 869 1HG2 ILE 110 1HG2 ILE 110 9.625 12.926 -13.475 870 2HG2 ILE 110 2HG2 ILE 110 8.597 12.537 -12.095 871 3HG2 ILE 110 3HG2 ILE 110 8.319 11.754 -13.650 872 1HD1 ILE 110 1HD1 ILE 110 11.944 8.836 -14.494 873 2HD1 ILE 110 2HD1 ILE 110 11.017 8.368 -13.070 874 3HD1 ILE 110 3HD1 ILE 110 12.316 9.553 -12.927 875 H LYS 111 H LYS 111 9.844 11.603 -9.623 876 HA LYS 111 HA LYS 111 9.689 14.539 -9.509 877 1HB LYS 111 1HB LYS 111 7.853 12.340 -8.701 878 2HB LYS 111 2HB LYS 111 7.848 13.792 -7.713 879 1HG LYS 111 1HG LYS 111 7.613 14.975 -10.053 880 2HG LYS 111 2HG LYS 111 6.966 13.401 -10.519 881 1HD LYS 111 1HD LYS 111 5.998 15.027 -8.169 882 2HD LYS 111 2HD LYS 111 5.225 15.005 -9.757 883 1HE LYS 111 1HE LYS 111 4.849 12.592 -9.532 884 2HE LYS 111 2HE LYS 111 5.612 12.623 -7.942 885 1HZ LYS 111 1HZ LYS 111 3.121 14.044 -8.713 886 2HZ LYS 111 2HZ LYS 111 3.865 14.145 -7.199 887 3HZ LYS 111 3HZ LYS 111 3.225 12.673 -7.729 888 H GLN 112 H GLN 112 8.841 14.594 -6.779 889 HA GLN 112 HA GLN 112 11.419 14.266 -5.485 890 1HB GLN 112 1HB GLN 112 8.902 15.737 -4.755 891 2HB GLN 112 2HB GLN 112 10.207 15.516 -3.597 892 1HG GLN 112 1HG GLN 112 11.737 16.678 -5.126 893 2HG GLN 112 2HG GLN 112 10.398 16.931 -6.247 894 1HE2 GLN 112 1HE2 GLN 112 8.478 17.385 -4.094 895 2HE2 GLN 112 2HE2 GLN 112 8.805 18.969 -3.490 896 H LEU 113 H LEU 113 9.245 14.260 -3.055 897 HA LEU 113 HA LEU 113 8.381 12.697 -1.651 898 1HB LEU 113 1HB LEU 113 8.441 11.036 -4.151 899 2HB LEU 113 2HB LEU 113 7.739 10.494 -2.642 900 HG LEU 113 HG LEU 113 6.062 11.297 -4.191 901 1HD1 LEU 113 1HD1 LEU 113 4.779 12.361 -2.609 902 2HD1 LEU 113 2HD1 LEU 113 6.117 13.365 -2.057 903 3HD1 LEU 113 3HD1 LEU 113 6.044 11.662 -1.602 904 1HD2 LEU 113 1HD2 LEU 113 7.448 12.972 -5.356 905 2HD2 LEU 113 2HD2 LEU 113 7.306 14.015 -3.941 906 3HD2 LEU 113 3HD2 LEU 113 5.868 13.584 -4.867 907 H ASN 114 H ASN 114 11.388 12.851 -2.394 908 HA ASN 114 HA ASN 114 12.540 10.330 -2.100 909 1HB ASN 114 1HB ASN 114 13.620 12.950 -1.027 910 2HB ASN 114 2HB ASN 114 14.547 11.485 -1.340 911 1HD2 ASN 114 1HD2 ASN 114 14.979 10.881 -3.463 912 2HD2 ASN 114 2HD2 ASN 114 14.818 11.988 -4.780 913 H HIS 115 H HIS 115 10.950 12.359 0.216 914 HA HIS 115 HA HIS 115 11.998 11.272 2.590 915 1HB HIS 115 1HB HIS 115 9.192 12.288 2.083 916 2HB HIS 115 2HB HIS 115 9.950 12.088 3.659 917 HD1 HIS 115 HD1 HIS 115 9.368 14.549 1.094 918 HD2 HIS 115 HD2 HIS 115 12.313 13.868 3.944 919 HE1 HIS 115 HE1 HIS 115 10.593 16.732 1.326 920 HE2 HIS 115 HE2 HIS 115 12.409 16.280 3.016 921 H PHE 116 H PHE 116 9.260 10.353 0.549 922 HA PHE 116 HA PHE 116 8.383 8.133 2.009 923 1HB PHE 116 1HB PHE 116 6.935 8.741 0.278 924 2HB PHE 116 2HB PHE 116 8.245 8.956 -0.876 925 HD1 PHE 116 HD1 PHE 116 6.754 6.202 1.164 926 HD2 PHE 116 HD2 PHE 116 8.377 7.441 -2.568 927 HE1 PHE 116 HE1 PHE 116 6.304 3.970 0.232 928 HE2 PHE 116 HE2 PHE 116 7.929 5.214 -3.507 929 HZ PHE 116 HZ PHE 116 6.892 3.473 -2.106 930 H TRP 117 H TRP 117 10.860 8.574 -0.433 931 HA TRP 117 HA TRP 117 11.700 5.897 -0.638 932 1HB TRP 117 1HB TRP 117 12.474 7.239 -2.369 933 2HB TRP 117 2HB TRP 117 12.889 8.567 -1.297 934 HD1 TRP 117 HD1 TRP 117 15.305 8.543 -0.186 935 HE1 TRP 117 HE1 TRP 117 17.449 7.230 -0.738 936 HE3 TRP 117 HE3 TRP 117 13.296 4.930 -3.192 937 HZ2 TRP 117 HZ2 TRP 117 18.191 4.968 -2.251 938 HZ3 TRP 117 HZ3 TRP 117 14.792 3.231 -4.156 939 HH2 TRP 117 HH2 TRP 117 17.191 3.251 -3.694 940 H GLU 118 H GLU 118 12.389 8.487 1.622 941 HA GLU 118 HA GLU 118 14.676 7.403 2.849 942 1HB GLU 118 1HB GLU 118 12.535 9.201 4.003 943 2HB GLU 118 2HB GLU 118 14.032 8.803 4.824 944 1HG GLU 118 1HG GLU 118 13.751 10.303 2.233 945 2HG GLU 118 2HG GLU 118 14.200 10.971 3.800 946 H ILE 119 H ILE 119 11.244 7.267 3.920 947 HA ILE 119 HA ILE 119 11.753 5.450 6.003 948 HB ILE 119 HB ILE 119 9.366 4.880 5.967 949 1HG1 ILE 119 1HG1 ILE 119 9.362 6.518 3.429 950 2HG1 ILE 119 2HG1 ILE 119 8.885 4.832 3.619 951 1HG2 ILE 119 1HG2 ILE 119 10.185 6.897 7.102 952 2HG2 ILE 119 2HG2 ILE 119 8.534 7.085 6.515 953 3HG2 ILE 119 3HG2 ILE 119 9.871 7.833 5.640 954 1HD1 ILE 119 1HD1 ILE 119 6.965 5.518 4.942 955 2HD1 ILE 119 2HD1 ILE 119 6.956 6.286 3.356 956 3HD1 ILE 119 3HD1 ILE 119 7.443 7.207 4.779 957 H VAL 120 H VAL 120 11.265 5.009 2.574 958 HA VAL 120 HA VAL 120 10.882 2.241 2.511 959 HB VAL 120 HB VAL 120 12.219 4.096 0.577 960 1HG1 VAL 120 1HG1 VAL 120 11.702 1.190 0.128 961 2HG1 VAL 120 2HG1 VAL 120 13.283 1.940 0.302 962 3HG1 VAL 120 3HG1 VAL 120 12.264 2.336 -1.082 963 1HG2 VAL 120 1HG2 VAL 120 9.725 4.134 1.021 964 2HG2 VAL 120 2HG2 VAL 120 9.687 2.606 0.146 965 3HG2 VAL 120 3HG2 VAL 120 10.270 4.067 -0.654 966 H VAL 121 H VAL 121 13.890 4.165 2.598 967 HA VAL 121 HA VAL 121 15.667 1.948 2.571 968 HB VAL 121 HB VAL 121 17.358 3.426 2.740 969 1HG1 VAL 121 1HG1 VAL 121 15.723 4.466 1.175 970 2HG1 VAL 121 2HG1 VAL 121 16.874 5.591 1.895 971 3HG1 VAL 121 3HG1 VAL 121 15.219 5.518 2.498 972 1HG2 VAL 121 1HG2 VAL 121 17.402 5.356 4.315 973 2HG2 VAL 121 2HG2 VAL 121 17.208 3.784 5.090 974 3HG2 VAL 121 3HG2 VAL 121 15.816 4.848 4.897 975 H GLN 122 H GLN 122 13.961 3.666 5.078 976 HA GLN 122 HA GLN 122 15.303 2.360 7.260 977 1HB GLN 122 1HB GLN 122 14.249 4.676 7.282 978 2HB GLN 122 2HB GLN 122 12.693 3.862 7.362 979 1HG GLN 122 1HG GLN 122 13.074 4.243 9.569 980 2HG GLN 122 2HG GLN 122 13.789 2.640 9.396 981 1HE2 GLN 122 1HE2 GLN 122 16.017 2.409 9.466 982 2HE2 GLN 122 2HE2 GLN 122 17.056 3.659 10.051 983 H ASP 123 H ASP 123 12.807 1.498 5.139 984 HA ASP 123 HA ASP 123 11.776 -0.494 7.043 985 1HB ASP 123 1HB ASP 123 10.464 0.947 4.762 986 2HB ASP 123 2HB ASP 123 9.806 -0.565 5.378 987 H GLY 124 H GLY 124 13.726 -0.181 4.326 988 1HA GLY 124 1HA GLY 124 14.680 -1.775 2.946 989 2HA GLY 124 2HA GLY 124 13.967 -3.000 3.991 990 H ILE 125 H ILE 125 12.616 -0.470 1.951 991 HA ILE 125 HA ILE 125 10.771 -2.414 0.759 992 HB ILE 125 HB ILE 125 10.639 0.452 1.517 993 1HG1 ILE 125 1HG1 ILE 125 8.585 -0.113 2.493 994 2HG1 ILE 125 2HG1 ILE 125 8.368 -1.516 1.455 995 1HG2 ILE 125 1HG2 ILE 125 10.004 1.056 -0.558 996 2HG2 ILE 125 2HG2 ILE 125 8.440 0.524 0.076 997 3HG2 ILE 125 3HG2 ILE 125 9.377 -0.551 -0.962 998 1HD1 ILE 125 1HD1 ILE 125 10.484 -1.303 3.574 999 2HD1 ILE 125 2HD1 ILE 125 10.014 -2.739 2.664 1000 3HD1 ILE 125 3HD1 ILE 125 8.897 -2.026 3.828 1001 H THR 126 H THR 126 13.229 -2.657 -0.316 1002 HA THR 126 HA THR 126 12.787 -1.607 -2.994 1003 HB THR 126 HB THR 126 15.483 -1.316 -1.743 1004 HG1 THR 126 HG1 THR 126 13.790 0.860 -2.266 1005 1HG2 THR 126 1HG2 THR 126 14.222 -0.246 -4.257 1006 2HG2 THR 126 2HG2 THR 126 15.517 -1.444 -4.150 1007 3HG2 THR 126 3HG2 THR 126 15.813 0.226 -3.652 1008 H LEU 127 H LEU 127 13.794 -2.714 -4.669 1009 HA LEU 127 HA LEU 127 14.336 -4.580 -5.805 1010 1HB LEU 127 1HB LEU 127 16.457 -5.338 -5.504 1011 2HB LEU 127 2HB LEU 127 16.527 -3.870 -4.558 1012 HG LEU 127 HG LEU 127 15.880 -5.554 -2.589 1013 1HD1 LEU 127 1HD1 LEU 127 17.694 -7.323 -4.152 1014 2HD1 LEU 127 2HD1 LEU 127 15.965 -7.397 -4.480 1015 3HD1 LEU 127 3HD1 LEU 127 16.565 -7.724 -2.856 1016 1HD2 LEU 127 1HD2 LEU 127 18.543 -5.971 -2.619 1017 2HD2 LEU 127 2HD2 LEU 127 17.776 -4.475 -2.091 1018 3HD2 LEU 127 3HD2 LEU 127 18.410 -4.608 -3.731 1019 H ILE 128 H ILE 128 14.498 -7.059 -5.720 1020 HA ILE 128 HA ILE 128 12.271 -8.026 -4.209 1021 HB ILE 128 HB ILE 128 14.340 -9.672 -5.674 1022 1HG1 ILE 128 1HG1 ILE 128 13.413 -8.039 -7.211 1023 2HG1 ILE 128 2HG1 ILE 128 12.726 -9.619 -7.572 1024 1HG2 ILE 128 1HG2 ILE 128 11.464 -10.389 -5.204 1025 2HG2 ILE 128 2HG2 ILE 128 12.715 -10.761 -4.022 1026 3HG2 ILE 128 3HG2 ILE 128 12.810 -11.445 -5.645 1027 1HD1 ILE 128 1HD1 ILE 128 10.984 -8.020 -7.714 1028 2HD1 ILE 128 2HD1 ILE 128 11.405 -7.331 -6.146 1029 3HD1 ILE 128 3HD1 ILE 128 10.720 -8.954 -6.243 1030 H THR 129 H THR 129 12.479 -8.033 -2.117 1031 HA THR 129 HA THR 129 14.641 -8.079 -0.531 1032 HB THR 129 HB THR 129 13.269 -8.866 1.278 1033 HG1 THR 129 HG1 THR 129 11.435 -9.653 -0.756 1034 1HG2 THR 129 1HG2 THR 129 12.837 -6.607 0.636 1035 2HG2 THR 129 2HG2 THR 129 11.280 -7.367 0.971 1036 3HG2 THR 129 3HG2 THR 129 11.803 -7.128 -0.696 1037 H LYS 130 H LYS 130 13.146 -10.979 -1.918 1038 HA LYS 130 HA LYS 130 14.865 -12.687 -0.374 1039 1HB LYS 130 1HB LYS 130 13.893 -14.532 -1.673 1040 2HB LYS 130 2HB LYS 130 12.670 -13.508 -0.949 1041 1HG LYS 130 1HG LYS 130 12.895 -12.356 -3.374 1042 2HG LYS 130 2HG LYS 130 13.271 -14.035 -3.771 1043 1HD LYS 130 1HD LYS 130 10.814 -13.049 -2.329 1044 2HD LYS 130 2HD LYS 130 10.883 -13.598 -4.001 1045 1HE LYS 130 1HE LYS 130 11.349 -15.828 -3.341 1046 2HE LYS 130 2HE LYS 130 11.656 -15.342 -1.675 1047 1HZ LYS 130 1HZ LYS 130 9.027 -15.174 -3.040 1048 2HZ LYS 130 2HZ LYS 130 9.337 -14.779 -1.426 1049 3HZ LYS 130 3HZ LYS 130 9.480 -16.382 -1.946 1050 H GLU 131 H GLU 131 14.543 -12.366 -3.934 1051 HA GLU 131 HA GLU 131 17.157 -11.793 -4.558 1052 1HB GLU 131 1HB GLU 131 17.962 -14.125 -5.228 1053 2HB GLU 131 2HB GLU 131 17.973 -13.755 -3.509 1054 1HG GLU 131 1HG GLU 131 15.889 -14.962 -3.211 1055 2HG GLU 131 2HG GLU 131 15.817 -15.298 -4.937 1056 H GLU 132 H GLU 132 14.893 -11.060 -5.765 1057 HA GLU 132 HA GLU 132 13.758 -10.952 -7.743 1058 1HB GLU 132 1HB GLU 132 16.202 -12.385 -8.803 1059 2HB GLU 132 2HB GLU 132 15.016 -11.517 -9.770 1060 1HG GLU 132 1HG GLU 132 15.642 -9.429 -8.693 1061 2HG GLU 132 2HG GLU 132 16.805 -10.290 -7.681 1062 H ALA 133 H ALA 133 13.139 -13.084 -6.037 1063 HA ALA 133 HA ALA 133 12.393 -15.186 -7.960 1064 1HB ALA 133 1HB ALA 133 12.504 -16.765 -6.030 1065 2HB ALA 133 2HB ALA 133 13.234 -15.461 -5.090 1066 3HB ALA 133 3HB ALA 133 14.059 -16.089 -6.517 1067 H SER 134 H SER 134 10.707 -16.673 -6.555 1068 HA SER 134 HA SER 134 8.578 -14.848 -5.650 1069 1HB SER 134 1HB SER 134 6.938 -16.351 -6.689 1070 2HB SER 134 2HB SER 134 8.080 -15.759 -7.894 1071 HG SER 134 HG SER 134 7.525 -18.275 -7.248 1072 H GLY 135 H GLY 135 10.532 -17.538 -5.019 1073 1HA GLY 135 1HA GLY 135 9.246 -17.948 -2.449 1074 2HA GLY 135 2HA GLY 135 9.231 -19.340 -3.525 1075 H SER 136 H SER 136 11.134 -17.350 -1.439 1076 HA SER 136 HA SER 136 13.341 -19.274 -1.674 1077 1HB SER 136 1HB SER 136 13.607 -16.262 -1.632 1078 2HB SER 136 2HB SER 136 14.957 -17.376 -1.428 1079 HG SER 136 HG SER 136 13.254 -17.563 -3.666 1080 H SER 137 H SER 137 15.050 -18.339 0.187 1081 HA SER 137 HA SER 137 13.444 -18.369 2.657 1082 1HB SER 137 1HB SER 137 15.375 -19.493 3.724 1083 2HB SER 137 2HB SER 137 14.731 -20.423 2.371 1084 HG SER 137 HG SER 137 16.426 -19.437 1.089 1085 H VAL 138 H VAL 138 15.264 -16.379 0.794 1086 HA VAL 138 HA VAL 138 16.857 -15.085 2.787 1087 HB VAL 138 HB VAL 138 15.979 -14.000 0.110 1088 1HG1 VAL 138 1HG1 VAL 138 18.258 -13.249 1.934 1089 2HG1 VAL 138 2HG1 VAL 138 16.837 -12.273 1.566 1090 3HG1 VAL 138 3HG1 VAL 138 18.018 -12.621 0.303 1091 1HG2 VAL 138 1HG2 VAL 138 17.084 -16.121 -0.212 1092 2HG2 VAL 138 2HG2 VAL 138 18.405 -15.627 0.845 1093 3HG2 VAL 138 3HG2 VAL 138 18.166 -14.816 -0.702 1094 H THR 139 H THR 139 16.518 -12.987 3.685 1095 HA THR 139 HA THR 139 13.666 -12.328 3.953 1096 HB THR 139 HB THR 139 13.988 -11.726 6.134 1097 HG1 THR 139 HG1 THR 139 16.760 -11.330 5.982 1098 1HG2 THR 139 1HG2 THR 139 15.494 -13.255 7.251 1099 2HG2 THR 139 2HG2 THR 139 16.395 -13.508 5.757 1100 3HG2 THR 139 3HG2 THR 139 14.731 -14.079 5.890 1101 H ALA 140 H ALA 140 13.736 -9.879 5.013 1102 HA ALA 140 HA ALA 140 13.846 -8.140 2.869 1103 1HB ALA 140 1HB ALA 140 14.070 -7.424 5.785 1104 2HB ALA 140 2HB ALA 140 12.567 -7.738 4.918 1105 3HB ALA 140 3HB ALA 140 13.564 -6.353 4.478 1106 H GLU 141 H GLU 141 16.470 -9.405 4.565 1107 HA GLU 141 HA GLU 141 18.320 -7.472 4.914 1108 1HB GLU 141 1HB GLU 141 18.665 -10.220 3.756 1109 2HB GLU 141 2HB GLU 141 20.029 -9.184 4.161 1110 1HG GLU 141 1HG GLU 141 19.322 -9.094 6.464 1111 2HG GLU 141 2HG GLU 141 17.888 -10.045 6.086 1112 H GLU 142 H GLU 142 17.859 -9.123 1.762 1113 HA GLU 142 HA GLU 142 19.690 -7.732 0.265 1114 1HB GLU 142 1HB GLU 142 16.914 -8.567 -0.602 1115 2HB GLU 142 2HB GLU 142 18.227 -8.134 -1.691 1116 1HG GLU 142 1HG GLU 142 18.193 -10.468 0.210 1117 2HG GLU 142 2HG GLU 142 17.984 -10.538 -1.538 1118 H ALA 143 H ALA 143 16.301 -6.813 0.823 1119 HA ALA 143 HA ALA 143 16.371 -4.356 -0.517 1120 1HB ALA 143 1HB ALA 143 14.357 -3.810 0.694 1121 2HB ALA 143 2HB ALA 143 14.687 -5.076 1.879 1122 3HB ALA 143 3HB ALA 143 14.308 -5.505 0.211 1123 H LYS 144 H LYS 144 17.113 -5.226 2.817 1124 HA LYS 144 HA LYS 144 17.461 -2.641 3.839 1125 1HB LYS 144 1HB LYS 144 18.797 -5.231 4.660 1126 2HB LYS 144 2HB LYS 144 18.814 -3.748 5.604 1127 1HG LYS 144 1HG LYS 144 16.460 -3.861 5.966 1128 2HG LYS 144 2HG LYS 144 16.292 -5.190 4.819 1129 1HD LYS 144 1HD LYS 144 16.196 -6.048 7.077 1130 2HD LYS 144 2HD LYS 144 17.679 -6.600 6.303 1131 1HE LYS 144 1HE LYS 144 18.150 -5.904 8.567 1132 2HE LYS 144 2HE LYS 144 18.914 -4.793 7.431 1133 1HZ LYS 144 1HZ LYS 144 16.373 -4.322 8.895 1134 2HZ LYS 144 2HZ LYS 144 17.054 -3.264 7.766 1135 3HZ LYS 144 3HZ LYS 144 17.860 -3.586 9.217 1136 H LYS 145 H LYS 145 19.427 -4.644 1.819 1137 HA LYS 145 HA LYS 145 21.847 -3.135 2.246 1138 1HB LYS 145 1HB LYS 145 21.047 -5.473 0.600 1139 2HB LYS 145 2HB LYS 145 22.395 -4.512 0.007 1140 1HG LYS 145 1HG LYS 145 23.163 -6.384 1.357 1141 2HG LYS 145 2HG LYS 145 23.574 -4.842 2.112 1142 1HD LYS 145 1HD LYS 145 21.593 -5.061 3.562 1143 2HD LYS 145 2HD LYS 145 21.264 -6.636 2.839 1144 1HE LYS 145 1HE LYS 145 23.446 -7.441 3.631 1145 2HE LYS 145 2HE LYS 145 23.744 -5.871 4.377 1146 1HZ LYS 145 1HZ LYS 145 21.542 -7.734 5.084 1147 2HZ LYS 145 2HZ LYS 145 21.816 -6.224 5.794 1148 3HZ LYS 145 3HZ LYS 145 22.944 -7.468 5.994 1149 H PHE 146 H PHE 146 19.358 -3.346 -0.299 1150 HA PHE 146 HA PHE 146 20.563 -1.765 -2.204 1151 1HB PHE 146 1HB PHE 146 18.302 -2.937 -2.349 1152 2HB PHE 146 2HB PHE 146 17.610 -1.506 -1.608 1153 HD1 PHE 146 HD1 PHE 146 18.119 -3.089 -4.594 1154 HD2 PHE 146 HD2 PHE 146 18.545 0.762 -2.837 1155 HE1 PHE 146 HE1 PHE 146 17.987 -2.063 -6.822 1156 HE2 PHE 146 HE2 PHE 146 18.409 1.798 -5.064 1157 HZ PHE 146 HZ PHE 146 18.129 0.384 -7.062 1158 H LEU 147 H LEU 147 18.531 -0.691 0.499 1159 HA LEU 147 HA LEU 147 19.971 1.841 0.476 1160 1HB LEU 147 1HB LEU 147 17.528 2.722 1.197 1161 2HB LEU 147 2HB LEU 147 18.226 2.895 -0.388 1162 HG LEU 147 HG LEU 147 16.957 1.035 -1.219 1163 1HD1 LEU 147 1HD1 LEU 147 15.471 0.674 1.322 1164 2HD1 LEU 147 2HD1 LEU 147 17.063 -0.067 1.203 1165 3HD1 LEU 147 3HD1 LEU 147 15.809 -0.482 0.037 1166 1HD2 LEU 147 1HD2 LEU 147 15.982 3.417 -0.690 1167 2HD2 LEU 147 2HD2 LEU 147 14.961 2.506 0.424 1168 3HD2 LEU 147 3HD2 LEU 147 14.946 2.129 -1.299 1169 H ALA 148 H ALA 148 21.096 1.161 2.282 1170 HA ALA 148 HA ALA 148 19.565 0.505 4.672 1171 1HB ALA 148 1HB ALA 148 21.613 -0.801 3.977 1172 2HB ALA 148 2HB ALA 148 21.577 -0.236 5.648 1173 3HB ALA 148 3HB ALA 148 22.560 0.611 4.452 1174 HA PRO 149 HA PRO 149 20.100 4.618 6.269 1175 1HB PRO 149 1HB PRO 149 19.272 3.797 8.871 1176 2HB PRO 149 2HB PRO 149 18.285 4.538 7.613 1177 1HG PRO 149 1HG PRO 149 17.967 1.954 8.528 1178 2HG PRO 149 2HG PRO 149 17.420 2.537 6.945 1179 1HD PRO 149 1HD PRO 149 19.908 1.017 7.651 1180 2HD PRO 149 2HD PRO 149 18.823 0.819 6.257 1181 H LYS 150 H LYS 150 22.031 2.058 7.051 1182 HA LYS 150 HA LYS 150 23.653 3.681 8.899 1183 1HB LYS 150 1HB LYS 150 24.508 1.480 9.782 1184 2HB LYS 150 2HB LYS 150 22.825 1.832 10.152 1185 1HG LYS 150 1HG LYS 150 22.095 0.352 8.376 1186 2HG LYS 150 2HG LYS 150 23.773 0.037 7.928 1187 1HD LYS 150 1HD LYS 150 24.194 -1.024 10.046 1188 2HD LYS 150 2HD LYS 150 22.592 -0.575 10.634 1189 1HE LYS 150 1HE LYS 150 23.141 -2.404 8.299 1190 2HE LYS 150 2HE LYS 150 22.730 -2.938 9.929 1191 1HZ LYS 150 1HZ LYS 150 20.791 -2.930 8.503 1192 2HZ LYS 150 2HZ LYS 150 21.008 -1.289 8.159 1193 3HZ LYS 150 3HZ LYS 150 20.614 -1.776 9.729 1194 H ASP 151 H ASP 151 25.868 1.918 8.889 1195 HA ASP 151 HA ASP 151 27.880 1.781 7.841 1196 1HB ASP 151 1HB ASP 151 27.909 0.431 5.853 1197 2HB ASP 151 2HB ASP 151 26.636 -0.168 6.908 1198 H LYS 152 H LYS 152 28.700 2.052 5.215 1199 HA LYS 152 HA LYS 152 28.436 4.949 4.877 1200 1HB LYS 152 1HB LYS 152 30.498 2.957 3.950 1201 2HB LYS 152 2HB LYS 152 30.441 4.599 3.325 1202 1HG LYS 152 1HG LYS 152 32.055 4.591 5.043 1203 2HG LYS 152 2HG LYS 152 30.632 5.396 5.703 1204 1HD LYS 152 1HD LYS 152 31.501 3.903 7.367 1205 2HD LYS 152 2HD LYS 152 29.983 3.238 6.767 1206 1HE LYS 152 1HE LYS 152 31.656 1.488 6.995 1207 2HE LYS 152 2HE LYS 152 31.233 1.724 5.300 1208 1HZ LYS 152 1HZ LYS 152 33.243 3.020 5.008 1209 2HZ LYS 152 2HZ LYS 152 33.622 1.486 5.610 1210 3HZ LYS 152 3HZ LYS 152 33.644 2.827 6.641 Start of MODEL 2 1 1H MET 1 1H MET 1 29.839 26.523 -35.845 2 2H MET 1 2H MET 1 30.341 26.486 -34.231 3 3H MET 1 3H MET 1 30.116 25.040 -35.077 4 HA MET 1 HA MET 1 32.162 27.095 -35.676 5 1HB MET 1 1HB MET 1 32.609 25.832 -33.608 6 2HB MET 1 2HB MET 1 32.443 24.324 -34.495 7 1HG MET 1 1HG MET 1 34.376 24.908 -35.861 8 2HG MET 1 2HG MET 1 34.539 26.428 -34.983 9 1HE MET 1 1HE MET 1 35.163 22.266 -33.085 10 2HE MET 1 2HE MET 1 34.719 22.526 -34.773 11 3HE MET 1 3HE MET 1 33.567 22.898 -33.491 12 H HIS 2 H HIS 2 33.532 26.630 -37.408 13 HA HIS 2 HA HIS 2 32.296 25.109 -39.521 14 1HB HIS 2 1HB HIS 2 34.185 25.963 -40.892 15 2HB HIS 2 2HB HIS 2 33.311 27.244 -40.060 16 HD1 HIS 2 HD1 HIS 2 36.629 25.587 -40.256 17 HD2 HIS 2 HD2 HIS 2 34.757 28.530 -37.998 18 HE1 HIS 2 HE1 HIS 2 38.476 26.758 -39.016 19 HE2 HIS 2 HE2 HIS 2 37.329 28.598 -37.732 20 H HIS 3 H HIS 3 34.676 24.303 -40.879 21 HA HIS 3 HA HIS 3 36.086 22.539 -41.109 22 1HB HIS 3 1HB HIS 3 37.087 23.584 -39.008 23 2HB HIS 3 2HB HIS 3 36.206 22.361 -38.098 24 HD1 HIS 3 HD1 HIS 3 38.903 22.628 -40.745 25 HD2 HIS 3 HD2 HIS 3 37.469 19.943 -37.916 26 HE1 HIS 3 HE1 HIS 3 40.551 20.727 -40.725 27 HE2 HIS 3 HE2 HIS 3 39.654 19.106 -39.018 28 H HIS 4 H HIS 4 33.073 22.331 -40.192 29 HA HIS 4 HA HIS 4 33.123 19.396 -39.931 30 1HB HIS 4 1HB HIS 4 31.372 21.419 -38.561 31 2HB HIS 4 2HB HIS 4 30.829 19.759 -38.784 32 HD1 HIS 4 HD1 HIS 4 33.947 21.460 -37.393 33 HD2 HIS 4 HD2 HIS 4 31.444 18.226 -36.659 34 HE1 HIS 4 HE1 HIS 4 34.837 20.379 -35.305 35 HE2 HIS 4 HE2 HIS 4 33.247 18.487 -34.825 36 H HIS 5 H HIS 5 31.179 18.312 -40.775 37 HA HIS 5 HA HIS 5 29.897 19.811 -42.959 38 1HB HIS 5 1HB HIS 5 31.005 17.000 -43.121 39 2HB HIS 5 2HB HIS 5 30.070 17.793 -44.385 40 HD1 HIS 5 HD1 HIS 5 33.474 17.326 -43.190 41 HD2 HIS 5 HD2 HIS 5 31.452 20.128 -45.496 42 HE1 HIS 5 HE1 HIS 5 35.260 18.608 -44.410 43 HE2 HIS 5 HE2 HIS 5 34.017 20.349 -45.737 44 H HIS 6 H HIS 6 29.233 18.645 -40.151 45 HA HIS 6 HA HIS 6 27.058 16.834 -40.770 46 1HB HIS 6 1HB HIS 6 27.864 18.068 -38.128 47 2HB HIS 6 2HB HIS 6 26.709 16.757 -38.348 48 HD1 HIS 6 HD1 HIS 6 30.400 17.488 -38.700 49 HD2 HIS 6 HD2 HIS 6 27.812 14.243 -38.482 50 HE1 HIS 6 HE1 HIS 6 31.876 15.464 -38.492 51 HE2 HIS 6 HE2 HIS 6 30.291 13.506 -38.413 52 H HIS 7 H HIS 7 25.208 17.619 -41.526 53 HA HIS 7 HA HIS 7 24.071 20.007 -40.247 54 1HB HIS 7 1HB HIS 7 24.077 19.482 -43.229 55 2HB HIS 7 2HB HIS 7 23.281 20.829 -42.423 56 HD1 HIS 7 HD1 HIS 7 26.219 20.131 -44.247 57 HD2 HIS 7 HD2 HIS 7 25.401 22.371 -40.845 58 HE1 HIS 7 HE1 HIS 7 28.141 21.735 -44.020 59 HE2 HIS 7 HE2 HIS 7 27.660 23.032 -41.916 60 H LYS 8 H LYS 8 23.652 16.927 -41.781 61 HA LYS 8 HA LYS 8 20.744 17.070 -41.480 62 1HB LYS 8 1HB LYS 8 22.583 15.195 -42.941 63 2HB LYS 8 2HB LYS 8 20.920 14.742 -42.600 64 1HG LYS 8 1HG LYS 8 21.078 15.630 -44.829 65 2HG LYS 8 2HG LYS 8 20.147 16.736 -43.821 66 1HD LYS 8 1HD LYS 8 21.671 17.987 -45.225 67 2HD LYS 8 2HD LYS 8 22.165 18.129 -43.538 68 1HE LYS 8 1HE LYS 8 24.093 17.776 -44.986 69 2HE LYS 8 2HE LYS 8 23.870 16.415 -43.889 70 1HZ LYS 8 1HZ LYS 8 24.377 15.674 -46.130 71 2HZ LYS 8 2HZ LYS 8 23.028 16.494 -46.736 72 3HZ LYS 8 3HZ LYS 8 22.819 15.187 -45.683 73 H LEU 9 H LEU 9 20.197 16.710 -39.412 74 HA LEU 9 HA LEU 9 21.321 14.330 -38.087 75 1HB LEU 9 1HB LEU 9 20.217 16.870 -36.886 76 2HB LEU 9 2HB LEU 9 20.658 15.452 -35.954 77 HG LEU 9 HG LEU 9 22.626 16.928 -37.692 78 1HD1 LEU 9 1HD1 LEU 9 22.109 17.277 -34.741 79 2HD1 LEU 9 2HD1 LEU 9 21.751 18.459 -36.000 80 3HD1 LEU 9 3HD1 LEU 9 23.423 18.014 -35.660 81 1HD2 LEU 9 1HD2 LEU 9 24.263 15.777 -36.271 82 2HD2 LEU 9 2HD2 LEU 9 23.231 14.640 -37.138 83 3HD2 LEU 9 3HD2 LEU 9 22.946 14.962 -35.427 84 H LYS 10 H LYS 10 19.568 13.913 -36.087 85 HA LYS 10 HA LYS 10 16.880 13.826 -37.218 86 1HB LYS 10 1HB LYS 10 18.565 11.634 -37.459 87 2HB LYS 10 2HB LYS 10 17.591 11.254 -36.046 88 1HG LYS 10 1HG LYS 10 15.555 11.614 -37.357 89 2HG LYS 10 2HG LYS 10 16.541 11.973 -38.776 90 1HD LYS 10 1HD LYS 10 17.517 9.713 -38.637 91 2HD LYS 10 2HD LYS 10 16.467 9.362 -37.263 92 1HE LYS 10 1HE LYS 10 14.502 9.756 -38.685 93 2HE LYS 10 2HE LYS 10 15.567 10.064 -40.055 94 1HZ LYS 10 1HZ LYS 10 14.723 7.804 -40.087 95 2HZ LYS 10 2HZ LYS 10 15.376 7.507 -38.555 96 3HZ LYS 10 3HZ LYS 10 16.402 7.803 -39.868 97 H THR 11 H THR 11 19.025 13.164 -34.496 98 HA THR 11 HA THR 11 16.756 13.371 -32.647 99 HB THR 11 HB THR 11 19.610 12.579 -32.033 100 HG1 THR 11 HG1 THR 11 18.203 10.480 -31.761 101 1HG2 THR 11 1HG2 THR 11 17.076 12.313 -30.410 102 2HG2 THR 11 2HG2 THR 11 18.384 13.455 -30.101 103 3HG2 THR 11 3HG2 THR 11 18.670 11.722 -29.940 104 H GLU 12 H GLU 12 16.371 15.233 -31.654 105 HA GLU 12 HA GLU 12 18.583 16.985 -30.916 106 1HB GLU 12 1HB GLU 12 17.670 17.641 -33.208 107 2HB GLU 12 2HB GLU 12 16.188 18.095 -32.380 108 1HG GLU 12 1HG GLU 12 17.410 19.727 -31.056 109 2HG GLU 12 2HG GLU 12 18.916 19.250 -31.840 110 H GLN 13 H GLN 13 16.720 15.261 -29.483 111 HA GLN 13 HA GLN 13 15.539 15.262 -27.544 112 1HB GLN 13 1HB GLN 13 16.300 18.187 -27.470 113 2HB GLN 13 2HB GLN 13 15.572 17.303 -26.136 114 1HG GLN 13 1HG GLN 13 18.234 16.675 -27.392 115 2HG GLN 13 2HG GLN 13 17.995 17.560 -25.888 116 1HE2 GLN 13 1HE2 GLN 13 15.750 15.877 -25.075 117 2HE2 GLN 13 2HE2 GLN 13 16.441 14.380 -24.558 118 H GLY 14 H GLY 14 13.441 15.624 -26.772 119 1HA GLY 14 1HA GLY 14 11.763 17.506 -28.263 120 2HA GLY 14 2HA GLY 14 11.348 15.801 -28.350 121 H GLY 15 H GLY 15 9.675 15.358 -27.093 122 1HA GLY 15 1HA GLY 15 8.772 14.986 -24.920 123 2HA GLY 15 2HA GLY 15 9.690 16.365 -24.334 124 H ALA 16 H ALA 16 8.056 16.762 -27.321 125 HA ALA 16 HA ALA 16 6.401 18.832 -26.232 126 1HB ALA 16 1HB ALA 16 6.402 17.668 -29.012 127 2HB ALA 16 2HB ALA 16 7.421 18.998 -28.465 128 3HB ALA 16 3HB ALA 16 5.668 19.192 -28.512 129 H HIS 17 H HIS 17 4.116 18.944 -26.316 130 HA HIS 17 HA HIS 17 1.996 18.205 -26.001 131 1HB HIS 17 1HB HIS 17 2.939 15.806 -27.583 132 2HB HIS 17 2HB HIS 17 1.260 16.167 -27.194 133 HD1 HIS 17 HD1 HIS 17 4.136 17.476 -29.257 134 HD2 HIS 17 HD2 HIS 17 0.027 17.958 -28.878 135 HE1 HIS 17 HE1 HIS 17 3.440 18.884 -31.222 136 HE2 HIS 17 HE2 HIS 17 0.938 19.087 -31.020 137 H PHE 18 H PHE 18 1.613 17.850 -23.922 138 HA PHE 18 HA PHE 18 2.871 15.639 -22.525 139 1HB PHE 18 1HB PHE 18 2.697 17.868 -21.465 140 2HB PHE 18 2HB PHE 18 0.944 17.733 -21.505 141 HD1 PHE 18 HD1 PHE 18 4.005 16.186 -20.105 142 HD2 PHE 18 HD2 PHE 18 -0.215 16.648 -19.790 143 HE1 PHE 18 HE1 PHE 18 4.050 15.065 -17.914 144 HE2 PHE 18 HE2 PHE 18 -0.177 15.529 -17.600 145 HZ PHE 18 HZ PHE 18 1.957 14.735 -16.660 146 H SER 19 H SER 19 1.790 13.928 -21.555 147 HA SER 19 HA SER 19 -0.631 13.104 -22.881 148 1HB SER 19 1HB SER 19 -0.346 11.015 -21.579 149 2HB SER 19 2HB SER 19 1.124 11.462 -22.445 150 HG SER 19 HG SER 19 2.006 11.258 -20.544 151 H VAL 20 H VAL 20 -2.568 13.750 -22.229 152 HA VAL 20 HA VAL 20 -2.979 14.539 -19.447 153 HB VAL 20 HB VAL 20 -4.883 14.795 -21.777 154 1HG1 VAL 20 1HG1 VAL 20 -4.886 16.080 -19.049 155 2HG1 VAL 20 2HG1 VAL 20 -5.994 14.829 -19.613 156 3HG1 VAL 20 3HG1 VAL 20 -6.023 16.431 -20.350 157 1HG2 VAL 20 1HG2 VAL 20 -2.844 16.067 -22.189 158 2HG2 VAL 20 2HG2 VAL 20 -2.994 16.838 -20.610 159 3HG2 VAL 20 3HG2 VAL 20 -4.200 17.145 -21.858 160 H SER 21 H SER 21 -4.414 13.569 -18.075 161 HA SER 21 HA SER 21 -5.760 11.135 -19.049 162 1HB SER 21 1HB SER 21 -4.369 11.513 -16.384 163 2HB SER 21 2HB SER 21 -5.294 10.086 -16.857 164 HG SER 21 HG SER 21 -3.614 10.411 -18.788 165 H SER 22 H SER 22 -5.664 13.312 -16.227 166 HA SER 22 HA SER 22 -7.296 14.265 -14.969 167 1HB SER 22 1HB SER 22 -8.915 13.958 -17.508 168 2HB SER 22 2HB SER 22 -9.373 14.952 -16.127 169 HG SER 22 HG SER 22 -7.725 15.546 -18.158 170 H LEU 23 H LEU 23 -7.167 11.190 -15.476 171 HA LEU 23 HA LEU 23 -9.854 10.466 -14.587 172 1HB LEU 23 1HB LEU 23 -7.489 8.787 -15.417 173 2HB LEU 23 2HB LEU 23 -8.999 8.120 -14.826 174 HG LEU 23 HG LEU 23 -8.755 9.831 -17.299 175 1HD1 LEU 23 1HD1 LEU 23 -7.599 7.713 -17.608 176 2HD1 LEU 23 2HD1 LEU 23 -9.101 7.743 -18.534 177 3HD1 LEU 23 3HD1 LEU 23 -9.014 6.840 -17.021 178 1HD2 LEU 23 1HD2 LEU 23 -11.023 8.265 -16.090 179 2HD2 LEU 23 2HD2 LEU 23 -11.036 8.906 -17.732 180 3HD2 LEU 23 3HD2 LEU 23 -10.942 10.006 -16.357 181 H ALA 24 H ALA 24 -7.181 11.570 -13.145 182 HA ALA 24 HA ALA 24 -7.382 9.786 -10.816 183 1HB ALA 24 1HB ALA 24 -5.232 10.727 -10.113 184 2HB ALA 24 2HB ALA 24 -5.224 11.767 -11.538 185 3HB ALA 24 3HB ALA 24 -5.134 10.016 -11.724 186 H GLU 25 H GLU 25 -8.831 12.445 -11.867 187 HA GLU 25 HA GLU 25 -9.217 13.479 -9.158 188 1HB GLU 25 1HB GLU 25 -7.511 14.905 -10.301 189 2HB GLU 25 2HB GLU 25 -8.711 15.286 -11.528 190 1HG GLU 25 1HG GLU 25 -8.585 17.082 -9.943 191 2HG GLU 25 2HG GLU 25 -10.144 16.270 -9.786 192 H GLY 26 H GLY 26 -11.292 14.037 -8.717 193 1HA GLY 26 1HA GLY 26 -13.488 14.720 -9.186 194 2HA GLY 26 2HA GLY 26 -13.164 14.513 -10.901 195 H SER 27 H SER 27 -12.123 11.847 -10.697 196 HA SER 27 HA SER 27 -14.659 10.427 -10.358 197 1HB SER 27 1HB SER 27 -12.091 9.568 -11.716 198 2HB SER 27 2HB SER 27 -13.584 8.633 -11.675 199 HG SER 27 HG SER 27 -13.076 10.110 -13.568 200 H VAL 28 H VAL 28 -11.582 10.801 -8.901 201 HA VAL 28 HA VAL 28 -11.598 8.262 -7.523 202 HB VAL 28 HB VAL 28 -9.621 9.122 -6.335 203 1HG1 VAL 28 1HG1 VAL 28 -9.562 9.540 -9.320 204 2HG1 VAL 28 2HG1 VAL 28 -9.317 8.014 -8.470 205 3HG1 VAL 28 3HG1 VAL 28 -8.146 9.321 -8.291 206 1HG2 VAL 28 1HG2 VAL 28 -8.679 11.310 -6.997 207 2HG2 VAL 28 2HG2 VAL 28 -10.218 11.455 -6.146 208 3HG2 VAL 28 3HG2 VAL 28 -10.157 11.646 -7.898 209 H THR 29 H THR 29 -10.999 8.603 -5.004 210 HA THR 29 HA THR 29 -12.986 10.420 -3.824 211 HB THR 29 HB THR 29 -13.650 8.644 -2.222 212 HG1 THR 29 HG1 THR 29 -12.080 7.007 -3.949 213 1HG2 THR 29 1HG2 THR 29 -14.994 9.114 -4.239 214 2HG2 THR 29 2HG2 THR 29 -15.101 7.426 -3.741 215 3HG2 THR 29 3HG2 THR 29 -14.086 7.878 -5.111 216 H SER 30 H SER 30 -12.709 9.884 -1.207 217 HA SER 30 HA SER 30 -9.993 10.789 -0.676 218 1HB SER 30 1HB SER 30 -12.278 10.534 1.278 219 2HB SER 30 2HB SER 30 -10.794 11.463 1.474 220 HG SER 30 HG SER 30 -12.753 11.949 -0.519 221 H VAL 31 H VAL 31 -8.910 9.948 1.327 222 HA VAL 31 HA VAL 31 -8.954 7.030 1.251 223 HB VAL 31 HB VAL 31 -6.794 8.182 0.995 224 1HG1 VAL 31 1HG1 VAL 31 -7.277 9.105 3.825 225 2HG1 VAL 31 2HG1 VAL 31 -7.189 10.125 2.388 226 3HG1 VAL 31 3HG1 VAL 31 -5.755 9.262 2.947 227 1HG2 VAL 31 1HG2 VAL 31 -6.900 6.638 3.578 228 2HG2 VAL 31 2HG2 VAL 31 -5.550 6.759 2.449 229 3HG2 VAL 31 3HG2 VAL 31 -7.019 5.899 1.983 230 H GLY 32 H GLY 32 -9.549 9.699 3.450 231 1HA GLY 32 1HA GLY 32 -10.694 9.736 5.449 232 2HA GLY 32 2HA GLY 32 -11.087 8.042 5.194 233 H SER 33 H SER 33 -9.955 6.490 6.258 234 HA SER 33 HA SER 33 -7.414 7.017 7.482 235 1HB SER 33 1HB SER 33 -8.879 8.133 9.104 236 2HB SER 33 2HB SER 33 -9.833 6.659 9.269 237 HG SER 33 HG SER 33 -7.640 7.340 10.588 238 H VAL 34 H VAL 34 -9.648 5.016 6.161 239 HA VAL 34 HA VAL 34 -8.855 2.590 7.557 240 HB VAL 34 HB VAL 34 -10.561 2.711 5.081 241 1HG1 VAL 34 1HG1 VAL 34 -11.562 0.687 6.042 242 2HG1 VAL 34 2HG1 VAL 34 -10.456 0.798 7.410 243 3HG1 VAL 34 3HG1 VAL 34 -9.827 0.505 5.788 244 1HG2 VAL 34 1HG2 VAL 34 -11.471 3.114 7.929 245 2HG2 VAL 34 2HG2 VAL 34 -12.530 2.890 6.535 246 3HG2 VAL 34 3HG2 VAL 34 -11.500 4.320 6.640 247 H ASN 35 H ASN 35 -8.083 0.706 6.306 248 HA ASN 35 HA ASN 35 -5.717 1.197 4.951 249 1HB ASN 35 1HB ASN 35 -6.618 -0.992 5.985 250 2HB ASN 35 2HB ASN 35 -7.347 -1.272 4.404 251 1HD2 ASN 35 1HD2 ASN 35 -4.366 -0.978 6.181 252 2HD2 ASN 35 2HD2 ASN 35 -3.347 -1.672 4.972 253 HA PRO 36 HA PRO 36 -7.514 2.329 0.997 254 1HB PRO 36 1HB PRO 36 -5.328 3.400 -0.103 255 2HB PRO 36 2HB PRO 36 -6.200 4.233 1.192 256 1HG PRO 36 1HG PRO 36 -3.691 2.612 1.329 257 2HG PRO 36 2HG PRO 36 -4.082 4.141 2.135 258 1HD PRO 36 1HD PRO 36 -4.244 1.666 3.332 259 2HD PRO 36 2HD PRO 36 -5.160 3.092 3.855 260 H ALA 37 H ALA 37 -4.993 0.168 1.733 261 HA ALA 37 HA ALA 37 -4.564 -0.741 -0.978 262 1HB ALA 37 1HB ALA 37 -2.675 -0.722 0.499 263 2HB ALA 37 2HB ALA 37 -3.066 -2.397 0.111 264 3HB ALA 37 3HB ALA 37 -3.526 -1.722 1.675 265 H GLU 38 H GLU 38 -6.624 -1.511 1.683 266 HA GLU 38 HA GLU 38 -7.095 -4.227 1.227 267 1HB GLU 38 1HB GLU 38 -8.957 -4.031 2.618 268 2HB GLU 38 2HB GLU 38 -7.904 -2.737 3.165 269 1HG GLU 38 1HG GLU 38 -9.204 -1.116 1.910 270 2HG GLU 38 2HG GLU 38 -10.243 -2.404 1.300 271 H ASN 39 H ASN 39 -8.306 -1.387 -0.428 272 HA ASN 39 HA ASN 39 -10.445 -2.553 -1.817 273 1HB ASN 39 1HB ASN 39 -9.664 -0.067 -1.711 274 2HB ASN 39 2HB ASN 39 -8.642 -0.496 -3.076 275 1HD2 ASN 39 1HD2 ASN 39 -10.595 -2.411 -4.130 276 2HD2 ASN 39 2HD2 ASN 39 -11.849 -1.459 -4.842 277 H PHE 40 H PHE 40 -7.087 -2.023 -2.885 278 HA PHE 40 HA PHE 40 -7.163 -3.458 -5.247 279 1HB PHE 40 1HB PHE 40 -5.052 -2.673 -5.211 280 2HB PHE 40 2HB PHE 40 -5.127 -2.417 -3.474 281 HD1 PHE 40 HD1 PHE 40 -4.044 -3.885 -1.970 282 HD2 PHE 40 HD2 PHE 40 -4.296 -4.870 -6.098 283 HE1 PHE 40 HE1 PHE 40 -2.435 -5.713 -1.631 284 HE2 PHE 40 HE2 PHE 40 -2.687 -6.696 -5.769 285 HZ PHE 40 HZ PHE 40 -1.756 -7.122 -3.533 286 H ARG 41 H ARG 41 -6.533 -4.544 -1.952 287 HA ARG 41 HA ARG 41 -6.048 -7.237 -2.462 288 1HB ARG 41 1HB ARG 41 -7.206 -5.818 -0.084 289 2HB ARG 41 2HB ARG 41 -6.938 -7.556 -0.101 290 1HG ARG 41 1HG ARG 41 -4.594 -7.276 -0.298 291 2HG ARG 41 2HG ARG 41 -4.766 -5.548 -0.625 292 1HD ARG 41 1HD ARG 41 -5.421 -5.083 1.579 293 2HD ARG 41 2HD ARG 41 -5.745 -6.783 1.924 294 HE ARG 41 HE ARG 41 -3.006 -6.348 1.284 295 1HH1 ARG 41 1HH1 ARG 41 -5.360 -6.024 3.834 296 2HH1 ARG 41 2HH1 ARG 41 -4.189 -6.141 5.105 297 1HH2 ARG 41 1HH2 ARG 41 -1.459 -6.508 2.958 298 2HH2 ARG 41 2HH2 ARG 41 -1.976 -6.414 4.609 299 H VAL 42 H VAL 42 -9.044 -5.448 -2.130 300 HA VAL 42 HA VAL 42 -10.782 -7.655 -1.943 301 HB VAL 42 HB VAL 42 -11.181 -4.792 -2.757 302 1HG1 VAL 42 1HG1 VAL 42 -12.665 -5.981 -4.237 303 2HG1 VAL 42 2HG1 VAL 42 -13.615 -5.264 -2.935 304 3HG1 VAL 42 3HG1 VAL 42 -13.245 -6.988 -2.910 305 1HG2 VAL 42 1HG2 VAL 42 -10.982 -5.410 -0.376 306 2HG2 VAL 42 2HG2 VAL 42 -12.379 -6.473 -0.559 307 3HG2 VAL 42 3HG2 VAL 42 -12.561 -4.731 -0.773 308 H LEU 43 H LEU 43 -9.742 -5.716 -4.756 309 HA LEU 43 HA LEU 43 -11.218 -7.219 -6.623 310 1HB LEU 43 1HB LEU 43 -8.710 -5.600 -7.020 311 2HB LEU 43 2HB LEU 43 -9.677 -6.267 -8.328 312 HG LEU 43 HG LEU 43 -11.567 -4.897 -6.939 313 1HD1 LEU 43 1HD1 LEU 43 -9.894 -2.666 -6.903 314 2HD1 LEU 43 2HD1 LEU 43 -9.021 -3.942 -6.050 315 3HD1 LEU 43 3HD1 LEU 43 -10.643 -3.479 -5.527 316 1HD2 LEU 43 1HD2 LEU 43 -11.138 -4.846 -9.367 317 2HD2 LEU 43 2HD2 LEU 43 -9.784 -3.750 -9.083 318 3HD2 LEU 43 3HD2 LEU 43 -11.427 -3.241 -8.695 319 H VAL 44 H VAL 44 -7.933 -7.648 -5.369 320 HA VAL 44 HA VAL 44 -7.276 -9.714 -7.205 321 HB VAL 44 HB VAL 44 -5.344 -10.178 -5.873 322 1HG1 VAL 44 1HG1 VAL 44 -4.249 -8.134 -5.982 323 2HG1 VAL 44 2HG1 VAL 44 -5.690 -7.225 -5.534 324 3HG1 VAL 44 3HG1 VAL 44 -5.570 -7.952 -7.137 325 1HG2 VAL 44 1HG2 VAL 44 -4.976 -9.316 -3.663 326 2HG2 VAL 44 2HG2 VAL 44 -6.500 -10.204 -3.684 327 3HG2 VAL 44 3HG2 VAL 44 -6.508 -8.441 -3.707 328 H LYS 45 H LYS 45 -8.877 -9.648 -4.093 329 HA LYS 45 HA LYS 45 -8.815 -12.553 -3.877 330 1HB LYS 45 1HB LYS 45 -9.623 -12.299 -1.674 331 2HB LYS 45 2HB LYS 45 -8.472 -10.990 -1.901 332 1HG LYS 45 1HG LYS 45 -10.297 -9.428 -2.281 333 2HG LYS 45 2HG LYS 45 -11.468 -10.736 -2.106 334 1HD LYS 45 1HD LYS 45 -11.381 -9.556 -0.031 335 2HD LYS 45 2HD LYS 45 -10.579 -11.110 0.202 336 1HE LYS 45 1HE LYS 45 -8.405 -10.044 -0.037 337 2HE LYS 45 2HE LYS 45 -9.183 -8.491 -0.337 338 1HZ LYS 45 1HZ LYS 45 -8.436 -8.666 1.947 339 2HZ LYS 45 2HZ LYS 45 -9.361 -10.063 2.177 340 3HZ LYS 45 3HZ LYS 45 -10.126 -8.582 1.892 341 H GLN 46 H GLN 46 -10.825 -10.183 -5.217 342 HA GLN 46 HA GLN 46 -13.165 -11.961 -5.054 343 1HB GLN 46 1HB GLN 46 -13.047 -8.996 -5.624 344 2HB GLN 46 2HB GLN 46 -14.514 -9.966 -5.647 345 1HG GLN 46 1HG GLN 46 -12.739 -9.517 -3.266 346 2HG GLN 46 2HG GLN 46 -14.275 -8.708 -3.569 347 1HE2 GLN 46 1HE2 GLN 46 -12.726 -11.682 -2.663 348 2HE2 GLN 46 2HE2 GLN 46 -14.144 -12.486 -2.092 349 H LYS 47 H LYS 47 -14.688 -11.288 -7.076 350 HA LYS 47 HA LYS 47 -13.382 -12.396 -9.359 351 1HB LYS 47 1HB LYS 47 -15.547 -12.133 -10.462 352 2HB LYS 47 2HB LYS 47 -15.755 -12.819 -8.856 353 1HG LYS 47 1HG LYS 47 -16.485 -10.708 -7.984 354 2HG LYS 47 2HG LYS 47 -16.114 -9.902 -9.509 355 1HD LYS 47 1HD LYS 47 -17.841 -11.163 -10.638 356 2HD LYS 47 2HD LYS 47 -18.155 -12.102 -9.178 357 1HE LYS 47 1HE LYS 47 -19.817 -10.315 -9.545 358 2HE LYS 47 2HE LYS 47 -18.939 -10.134 -8.026 359 1HZ LYS 47 1HZ LYS 47 -19.162 -8.027 -9.187 360 2HZ LYS 47 2HZ LYS 47 -18.362 -8.656 -10.538 361 3HZ LYS 47 3HZ LYS 47 -17.534 -8.475 -9.074 362 H LYS 48 H LYS 48 -13.353 -9.350 -8.102 363 HA LYS 48 HA LYS 48 -13.706 -7.693 -10.343 364 1HB LYS 48 1HB LYS 48 -12.669 -7.436 -7.623 365 2HB LYS 48 2HB LYS 48 -11.908 -6.343 -8.767 366 1HG LYS 48 1HG LYS 48 -13.709 -5.156 -7.861 367 2HG LYS 48 2HG LYS 48 -14.252 -5.668 -9.461 368 1HD LYS 48 1HD LYS 48 -16.048 -6.075 -7.963 369 2HD LYS 48 2HD LYS 48 -15.327 -7.645 -8.327 370 1HE LYS 48 1HE LYS 48 -14.057 -7.535 -6.235 371 2HE LYS 48 2HE LYS 48 -14.795 -5.977 -5.869 372 1HZ LYS 48 1HZ LYS 48 -15.919 -7.748 -4.697 373 2HZ LYS 48 2HZ LYS 48 -16.225 -8.566 -6.145 374 3HZ LYS 48 3HZ LYS 48 -16.964 -7.075 -5.846 375 H ALA 49 H ALA 49 -11.301 -6.155 -10.202 376 HA ALA 49 HA ALA 49 -9.873 -6.994 -12.368 377 1HB ALA 49 1HB ALA 49 -9.802 -4.768 -11.162 378 2HB ALA 49 2HB ALA 49 -8.285 -5.356 -11.840 379 3HB ALA 49 3HB ALA 49 -8.590 -5.503 -10.108 380 H SER 50 H SER 50 -7.542 -7.546 -12.483 381 HA SER 50 HA SER 50 -7.002 -9.936 -10.940 382 1HB SER 50 1HB SER 50 -4.923 -9.978 -12.457 383 2HB SER 50 2HB SER 50 -6.495 -10.174 -13.242 384 HG SER 50 HG SER 50 -5.649 -7.565 -12.990 385 H PHE 51 H PHE 51 -4.571 -10.192 -10.283 386 HA PHE 51 HA PHE 51 -4.075 -8.407 -8.184 387 1HB PHE 51 1HB PHE 51 -3.219 -10.771 -8.378 388 2HB PHE 51 2HB PHE 51 -2.008 -10.166 -9.506 389 HD1 PHE 51 HD1 PHE 51 -3.140 -10.162 -6.021 390 HD2 PHE 51 HD2 PHE 51 -0.147 -8.864 -8.750 391 HE1 PHE 51 HE1 PHE 51 -1.668 -9.602 -4.133 392 HE2 PHE 51 HE2 PHE 51 1.331 -8.305 -6.870 393 HZ PHE 51 HZ PHE 51 0.531 -8.596 -4.547 394 H GLU 52 H GLU 52 -3.469 -8.095 -11.503 395 HA GLU 52 HA GLU 52 -1.232 -6.297 -11.180 396 1HB GLU 52 1HB GLU 52 -0.932 -6.445 -13.469 397 2HB GLU 52 2HB GLU 52 -1.672 -7.994 -13.096 398 1HG GLU 52 1HG GLU 52 -3.844 -7.114 -13.817 399 2HG GLU 52 2HG GLU 52 -3.067 -5.592 -14.249 400 H GLU 53 H GLU 53 -4.538 -5.952 -12.526 401 HA GLU 53 HA GLU 53 -4.370 -3.131 -12.760 402 1HB GLU 53 1HB GLU 53 -6.032 -4.260 -14.046 403 2HB GLU 53 2HB GLU 53 -6.708 -5.032 -12.617 404 1HG GLU 53 1HG GLU 53 -7.659 -3.023 -11.855 405 2HG GLU 53 2HG GLU 53 -6.733 -2.059 -13.006 406 H ALA 54 H ALA 54 -5.497 -5.300 -10.250 407 HA ALA 54 HA ALA 54 -6.621 -3.390 -8.535 408 1HB ALA 54 1HB ALA 54 -7.028 -5.768 -8.281 409 2HB ALA 54 2HB ALA 54 -6.353 -5.104 -6.792 410 3HB ALA 54 3HB ALA 54 -5.331 -6.037 -7.888 411 H SER 55 H SER 55 -3.350 -4.857 -8.564 412 HA SER 55 HA SER 55 -2.368 -3.259 -6.438 413 1HB SER 55 1HB SER 55 -0.142 -3.975 -7.172 414 2HB SER 55 2HB SER 55 -1.254 -5.345 -7.174 415 HG SER 55 HG SER 55 -1.554 -4.713 -9.499 416 H ASN 56 H ASN 56 -2.727 -2.828 -9.855 417 HA ASN 56 HA ASN 56 -1.040 -0.603 -10.197 418 1HB ASN 56 1HB ASN 56 -3.297 -1.841 -11.709 419 2HB ASN 56 2HB ASN 56 -2.869 -0.182 -12.120 420 1HD2 ASN 56 1HD2 ASN 56 -0.054 -0.545 -11.496 421 2HD2 ASN 56 2HD2 ASN 56 0.609 -1.488 -12.781 422 H GLN 57 H GLN 57 -4.427 -0.926 -9.265 423 HA GLN 57 HA GLN 57 -4.929 1.888 -9.190 424 1HB GLN 57 1HB GLN 57 -6.645 -0.025 -9.365 425 2HB GLN 57 2HB GLN 57 -6.453 -0.188 -7.625 426 1HG GLN 57 1HG GLN 57 -6.942 2.551 -8.504 427 2HG GLN 57 2HG GLN 57 -8.246 1.434 -8.887 428 1HE2 GLN 57 1HE2 GLN 57 -6.490 3.043 -6.385 429 2HE2 GLN 57 2HE2 GLN 57 -7.532 2.608 -5.079 430 H LEU 58 H LEU 58 -3.704 -0.518 -6.969 431 HA LEU 58 HA LEU 58 -3.925 0.995 -4.588 432 1HB LEU 58 1HB LEU 58 -3.234 -1.547 -5.064 433 2HB LEU 58 2HB LEU 58 -1.620 -0.873 -4.984 434 HG LEU 58 HG LEU 58 -3.601 -1.324 -2.809 435 1HD1 LEU 58 1HD1 LEU 58 -1.587 -2.734 -3.161 436 2HD1 LEU 58 2HD1 LEU 58 -1.645 -1.975 -1.569 437 3HD1 LEU 58 3HD1 LEU 58 -0.583 -1.322 -2.818 438 1HD2 LEU 58 1HD2 LEU 58 -1.643 0.972 -2.752 439 2HD2 LEU 58 2HD2 LEU 58 -2.538 0.355 -1.362 440 3HD2 LEU 58 3HD2 LEU 58 -3.403 1.095 -2.710 441 H ILE 59 H ILE 59 -1.110 0.459 -6.741 442 HA ILE 59 HA ILE 59 0.568 2.304 -5.416 443 HB ILE 59 HB ILE 59 0.748 1.742 -8.384 444 1HG1 ILE 59 1HG1 ILE 59 2.172 -0.063 -6.518 445 2HG1 ILE 59 2HG1 ILE 59 0.436 -0.298 -6.631 446 1HG2 ILE 59 1HG2 ILE 59 2.345 3.290 -7.794 447 2HG2 ILE 59 2HG2 ILE 59 3.221 1.761 -7.723 448 3HG2 ILE 59 3HG2 ILE 59 2.658 2.526 -6.237 449 1HD1 ILE 59 1HD1 ILE 59 2.386 -0.367 -8.913 450 2HD1 ILE 59 2HD1 ILE 59 0.642 -0.614 -9.032 451 3HD1 ILE 59 3HD1 ILE 59 1.637 -1.759 -8.130 452 H ASN 60 H ASN 60 -1.706 2.572 -8.115 453 HA ASN 60 HA ASN 60 -1.193 5.163 -8.980 454 1HB ASN 60 1HB ASN 60 -3.553 3.355 -9.038 455 2HB ASN 60 2HB ASN 60 -3.819 5.052 -9.426 456 1HD2 ASN 60 1HD2 ASN 60 -4.333 4.594 -11.554 457 2HD2 ASN 60 2HD2 ASN 60 -3.144 4.111 -12.711 458 H HIS 61 H HIS 61 -3.449 4.015 -6.497 459 HA HIS 61 HA HIS 61 -4.402 6.537 -5.715 460 1HB HIS 61 1HB HIS 61 -5.725 5.101 -4.599 461 2HB HIS 61 2HB HIS 61 -4.556 3.797 -4.803 462 HD1 HIS 61 HD1 HIS 61 -2.676 3.638 -2.960 463 HD2 HIS 61 HD2 HIS 61 -5.872 6.124 -2.075 464 HE1 HIS 61 HE1 HIS 61 -2.541 4.044 -0.503 465 HE2 HIS 61 HE2 HIS 61 -4.513 5.514 0.040 466 H ILE 62 H ILE 62 -1.627 4.622 -4.817 467 HA ILE 62 HA ILE 62 -0.663 6.250 -2.725 468 HB ILE 62 HB ILE 62 0.780 4.360 -4.585 469 1HG1 ILE 62 1HG1 ILE 62 -0.983 3.436 -3.069 470 2HG1 ILE 62 2HG1 ILE 62 0.625 2.783 -2.800 471 1HG2 ILE 62 1HG2 ILE 62 2.572 4.395 -2.847 472 2HG2 ILE 62 2HG2 ILE 62 1.768 5.794 -2.134 473 3HG2 ILE 62 3HG2 ILE 62 2.412 5.886 -3.774 474 1HD1 ILE 62 1HD1 ILE 62 -0.566 5.001 -1.162 475 2HD1 ILE 62 2HD1 ILE 62 0.895 4.072 -0.825 476 3HD1 ILE 62 3HD1 ILE 62 -0.686 3.293 -0.742 477 H GLU 63 H GLU 63 -0.521 6.463 -6.192 478 HA GLU 63 HA GLU 63 1.612 8.357 -6.317 479 1HB GLU 63 1HB GLU 63 -0.550 7.605 -8.288 480 2HB GLU 63 2HB GLU 63 0.700 8.790 -8.638 481 1HG GLU 63 1HG GLU 63 2.414 7.120 -8.347 482 2HG GLU 63 2HG GLU 63 1.207 5.922 -7.886 483 H GLN 64 H GLN 64 -1.936 8.570 -6.346 484 HA GLN 64 HA GLN 64 -2.193 11.333 -6.591 485 1HB GLN 64 1HB GLN 64 -4.110 9.753 -6.597 486 2HB GLN 64 2HB GLN 64 -3.877 9.485 -4.875 487 1HG GLN 64 1HG GLN 64 -4.315 11.894 -4.491 488 2HG GLN 64 2HG GLN 64 -4.679 12.060 -6.209 489 1HE2 GLN 64 1HE2 GLN 64 -6.790 12.691 -5.820 490 2HE2 GLN 64 2HE2 GLN 64 -8.002 11.589 -5.270 491 H PHE 65 H PHE 65 -1.887 9.328 -3.668 492 HA PHE 65 HA PHE 65 -1.730 11.419 -1.818 493 1HB PHE 65 1HB PHE 65 -1.730 9.588 -0.497 494 2HB PHE 65 2HB PHE 65 -1.177 8.562 -1.819 495 HD1 PHE 65 HD1 PHE 65 0.806 7.492 -1.539 496 HD2 PHE 65 HD2 PHE 65 0.196 11.217 0.422 497 HE1 PHE 65 HE1 PHE 65 3.044 7.337 -0.553 498 HE2 PHE 65 HE2 PHE 65 2.437 11.062 1.419 499 HZ PHE 65 HZ PHE 65 3.863 9.122 0.921 500 H LEU 66 H LEU 66 0.894 9.631 -3.450 501 HA LEU 66 HA LEU 66 3.012 11.104 -2.440 502 1HB LEU 66 1HB LEU 66 2.656 9.495 -4.942 503 2HB LEU 66 2HB LEU 66 4.141 10.405 -4.686 504 HG LEU 66 HG LEU 66 3.058 8.272 -2.835 505 1HD1 LEU 66 1HD1 LEU 66 3.880 7.410 -5.002 506 2HD1 LEU 66 2HD1 LEU 66 4.837 6.871 -3.622 507 3HD1 LEU 66 3HD1 LEU 66 5.443 8.157 -4.668 508 1HD2 LEU 66 1HD2 LEU 66 5.729 9.671 -2.767 509 2HD2 LEU 66 2HD2 LEU 66 5.121 8.478 -1.618 510 3HD2 LEU 66 3HD2 LEU 66 4.370 10.073 -1.716 511 H ASP 67 H ASP 67 0.605 12.004 -4.676 512 HA ASP 67 HA ASP 67 2.103 14.129 -5.894 513 1HB ASP 67 1HB ASP 67 0.085 13.034 -6.947 514 2HB ASP 67 2HB ASP 67 -0.907 13.854 -5.745 515 H THR 68 H THR 68 -0.232 13.750 -3.260 516 HA THR 68 HA THR 68 -0.335 16.484 -2.519 517 HB THR 68 HB THR 68 -1.836 14.497 -1.689 518 HG1 THR 68 HG1 THR 68 -1.037 16.823 -0.351 519 1HG2 THR 68 1HG2 THR 68 -0.463 14.517 0.859 520 2HG2 THR 68 2HG2 THR 68 0.507 13.766 -0.403 521 3HG2 THR 68 3HG2 THR 68 -1.110 13.158 -0.059 522 H ASN 69 H ASN 69 0.399 16.941 -0.038 523 HA ASN 69 HA ASN 69 3.291 16.380 0.008 524 1HB ASN 69 1HB ASN 69 1.696 18.812 0.755 525 2HB ASN 69 2HB ASN 69 3.314 18.557 1.418 526 1HD2 ASN 69 1HD2 ASN 69 5.092 18.560 0.012 527 2HD2 ASN 69 2HD2 ASN 69 5.003 19.278 -1.557 528 H GLU 70 H GLU 70 0.576 15.408 1.434 529 HA GLU 70 HA GLU 70 1.301 15.574 4.215 530 1HB GLU 70 1HB GLU 70 -0.739 13.680 3.084 531 2HB GLU 70 2HB GLU 70 -0.734 14.489 4.645 532 1HG GLU 70 1HG GLU 70 -0.937 16.088 2.133 533 2HG GLU 70 2HG GLU 70 -2.359 15.273 2.780 534 H THR 71 H THR 71 2.397 14.078 5.421 535 HA THR 71 HA THR 71 3.386 11.739 3.974 536 HB THR 71 HB THR 71 5.019 11.486 5.846 537 HG1 THR 71 HG1 THR 71 5.188 13.816 6.861 538 1HG2 THR 71 1HG2 THR 71 5.615 12.532 3.716 539 2HG2 THR 71 2HG2 THR 71 6.461 13.308 5.056 540 3HG2 THR 71 3HG2 THR 71 5.067 14.097 4.318 541 HA PRO 72 HA PRO 72 1.192 10.135 8.156 542 1HB PRO 72 1HB PRO 72 -1.407 10.779 6.849 543 2HB PRO 72 2HB PRO 72 -1.004 10.713 8.568 544 1HG PRO 72 1HG PRO 72 -1.300 13.039 7.291 545 2HG PRO 72 2HG PRO 72 -0.097 12.819 8.574 546 1HD PRO 72 1HD PRO 72 0.285 13.047 5.643 547 2HD PRO 72 2HD PRO 72 1.380 13.498 6.964 548 H TYR 73 H TYR 73 0.435 10.438 4.823 549 HA TYR 73 HA TYR 73 -0.478 7.719 4.466 550 1HB TYR 73 1HB TYR 73 -0.036 9.875 2.400 551 2HB TYR 73 2HB TYR 73 -1.029 8.433 2.227 552 HD1 TYR 73 HD1 TYR 73 -1.711 11.513 1.957 553 HD2 TYR 73 HD2 TYR 73 -2.343 8.595 4.984 554 HE1 TYR 73 HE1 TYR 73 -3.655 12.781 2.765 555 HE2 TYR 73 HE2 TYR 73 -4.292 9.853 5.799 556 HH TYR 73 HH TYR 73 -5.705 12.395 4.035 557 H PHE 74 H PHE 74 2.565 9.387 4.269 558 HA PHE 74 HA PHE 74 3.658 7.755 2.215 559 1HB PHE 74 1HB PHE 74 5.594 8.944 2.356 560 2HB PHE 74 2HB PHE 74 4.453 10.092 3.002 561 HD1 PHE 74 HD1 PHE 74 4.386 8.613 5.751 562 HD2 PHE 74 HD2 PHE 74 7.521 10.126 3.317 563 HE1 PHE 74 HE1 PHE 74 5.804 8.859 7.740 564 HE2 PHE 74 HE2 PHE 74 8.944 10.384 5.302 565 HZ PHE 74 HZ PHE 74 8.230 10.007 7.367 566 H MET 75 H MET 75 3.658 7.456 5.718 567 HA MET 75 HA MET 75 5.312 5.090 5.605 568 1HB MET 75 1HB MET 75 3.957 4.978 8.026 569 2HB MET 75 2HB MET 75 5.537 5.703 7.765 570 1HG MET 75 1HG MET 75 4.768 7.803 7.900 571 2HG MET 75 2HG MET 75 3.182 7.412 7.247 572 1HE MET 75 1HE MET 75 5.057 5.591 10.185 573 2HE MET 75 2HE MET 75 4.459 6.477 11.588 574 3HE MET 75 3HE MET 75 5.510 7.280 10.419 575 H LYS 76 H LYS 76 1.967 6.009 5.663 576 HA LYS 76 HA LYS 76 0.850 3.413 5.864 577 1HB LYS 76 1HB LYS 76 -0.448 5.450 6.318 578 2HB LYS 76 2HB LYS 76 -0.257 5.948 4.647 579 1HG LYS 76 1HG LYS 76 -1.367 3.401 4.513 580 2HG LYS 76 2HG LYS 76 -2.213 4.215 5.831 581 1HD LYS 76 1HD LYS 76 -3.334 4.572 3.683 582 2HD LYS 76 2HD LYS 76 -2.740 6.085 4.365 583 1HE LYS 76 1HE LYS 76 -0.871 6.101 2.880 584 2HE LYS 76 2HE LYS 76 -1.240 4.474 2.308 585 1HZ LYS 76 1HZ LYS 76 -1.947 6.182 0.735 586 2HZ LYS 76 2HZ LYS 76 -2.957 6.867 1.905 587 3HZ LYS 76 3HZ LYS 76 -3.273 5.312 1.322 588 H SER 77 H SER 77 2.302 5.303 3.366 589 HA SER 77 HA SER 77 1.321 3.852 1.119 590 1HB SER 77 1HB SER 77 2.769 5.118 -0.161 591 2HB SER 77 2HB SER 77 2.717 6.142 1.274 592 HG SER 77 HG SER 77 4.683 4.204 0.639 593 H ILE 78 H ILE 78 4.295 3.779 3.055 594 HA ILE 78 HA ILE 78 5.525 1.577 1.921 595 HB ILE 78 HB ILE 78 5.970 3.105 4.211 596 1HG1 ILE 78 1HG1 ILE 78 8.067 1.787 4.383 597 2HG1 ILE 78 2HG1 ILE 78 7.399 0.638 3.224 598 1HG2 ILE 78 1HG2 ILE 78 5.751 0.226 5.081 599 2HG2 ILE 78 2HG2 ILE 78 4.568 1.472 5.481 600 3HG2 ILE 78 3HG2 ILE 78 6.228 1.614 6.064 601 1HD1 ILE 78 1HD1 ILE 78 8.970 2.605 2.482 602 2HD1 ILE 78 2HD1 ILE 78 7.445 3.503 2.481 603 3HD1 ILE 78 3HD1 ILE 78 7.625 2.056 1.478 604 H ASP 79 H ASP 79 2.895 1.804 4.217 605 HA ASP 79 HA ASP 79 2.636 -0.940 4.782 606 1HB ASP 79 1HB ASP 79 0.943 1.482 5.122 607 2HB ASP 79 2HB ASP 79 0.140 -0.075 5.236 608 H CYS 80 H CYS 80 1.167 1.110 2.268 609 HA CYS 80 HA CYS 80 -0.609 -0.809 1.231 610 1HB CYS 80 1HB CYS 80 -0.921 0.626 -0.539 611 2HB CYS 80 2HB CYS 80 -0.163 1.748 0.588 612 HG CYS 80 HG CYS 80 0.786 0.982 -2.413 613 H ILE 81 H ILE 81 2.754 -0.035 0.465 614 HA ILE 81 HA ILE 81 3.222 -1.900 -1.542 615 HB ILE 81 HB ILE 81 4.980 -0.712 0.607 616 1HG1 ILE 81 1HG1 ILE 81 6.175 -0.169 -1.756 617 2HG1 ILE 81 2HG1 ILE 81 4.498 -0.292 -2.269 618 1HG2 ILE 81 1HG2 ILE 81 5.682 -2.967 -1.223 619 2HG2 ILE 81 2HG2 ILE 81 6.003 -2.776 0.504 620 3HG2 ILE 81 3HG2 ILE 81 6.906 -1.821 -0.673 621 1HD1 ILE 81 1HD1 ILE 81 3.835 1.446 -0.809 622 2HD1 ILE 81 2HD1 ILE 81 5.277 2.003 -1.656 623 3HD1 ILE 81 3HD1 ILE 81 5.395 1.435 0.010 624 H ARG 82 H ARG 82 3.321 -2.070 1.970 625 HA ARG 82 HA ARG 82 4.179 -4.710 2.315 626 1HB ARG 82 1HB ARG 82 2.972 -2.596 3.934 627 2HB ARG 82 2HB ARG 82 2.503 -4.205 4.458 628 1HG ARG 82 1HG ARG 82 4.360 -3.857 5.725 629 2HG ARG 82 2HG ARG 82 5.078 -4.649 4.323 630 1HD ARG 82 1HD ARG 82 5.824 -2.568 3.435 631 2HD ARG 82 2HD ARG 82 4.892 -1.655 4.612 632 HE ARG 82 HE ARG 82 6.713 -1.786 5.958 633 1HH1 ARG 82 1HH1 ARG 82 6.669 -4.654 3.968 634 2HH1 ARG 82 2HH1 ARG 82 8.082 -5.335 4.704 635 1HH2 ARG 82 1HH2 ARG 82 8.573 -2.679 6.920 636 2HH2 ARG 82 2HH2 ARG 82 9.161 -4.215 6.378 637 H ALA 83 H ALA 83 1.069 -3.318 1.580 638 HA ALA 83 HA ALA 83 -0.536 -5.563 2.204 639 1HB ALA 83 1HB ALA 83 -1.462 -3.321 1.964 640 2HB ALA 83 2HB ALA 83 -2.267 -4.471 0.896 641 3HB ALA 83 3HB ALA 83 -1.077 -3.343 0.244 642 H PHE 84 H PHE 84 0.488 -4.314 -0.995 643 HA PHE 84 HA PHE 84 -0.386 -6.642 -2.367 644 1HB PHE 84 1HB PHE 84 0.147 -5.496 -4.241 645 2HB PHE 84 2HB PHE 84 0.456 -4.144 -3.156 646 HD1 PHE 84 HD1 PHE 84 1.817 -6.253 -5.639 647 HD2 PHE 84 HD2 PHE 84 2.854 -3.969 -2.209 648 HE1 PHE 84 HE1 PHE 84 4.162 -6.211 -6.379 649 HE2 PHE 84 HE2 PHE 84 5.203 -3.921 -2.939 650 HZ PHE 84 HZ PHE 84 5.857 -5.042 -5.029 651 H ARG 85 H ARG 85 2.404 -5.892 -0.572 652 HA ARG 85 HA ARG 85 4.254 -7.653 -1.749 653 1HB ARG 85 1HB ARG 85 5.343 -6.175 -0.423 654 2HB ARG 85 2HB ARG 85 4.023 -6.075 0.728 655 1HG ARG 85 1HG ARG 85 4.752 -8.337 1.571 656 2HG ARG 85 2HG ARG 85 6.201 -8.131 0.580 657 1HD ARG 85 1HD ARG 85 6.826 -6.167 1.766 658 2HD ARG 85 2HD ARG 85 5.271 -6.107 2.599 659 HE ARG 85 HE ARG 85 5.966 -8.089 3.832 660 1HH1 ARG 85 1HH1 ARG 85 8.448 -6.351 2.108 661 2HH1 ARG 85 2HH1 ARG 85 9.738 -6.971 3.083 662 1HH2 ARG 85 1HH2 ARG 85 7.660 -8.910 5.119 663 2HH2 ARG 85 2HH2 ARG 85 9.291 -8.426 4.793 664 H GLU 86 H GLU 86 2.341 -8.023 1.237 665 HA GLU 86 HA GLU 86 3.043 -10.725 1.653 666 1HB GLU 86 1HB GLU 86 1.153 -10.740 3.250 667 2HB GLU 86 2HB GLU 86 2.202 -9.345 3.463 668 1HG GLU 86 1HG GLU 86 0.645 -7.900 2.434 669 2HG GLU 86 2HG GLU 86 -0.335 -9.247 1.867 670 H GLU 87 H GLU 87 0.350 -9.184 -0.020 671 HA GLU 87 HA GLU 87 -1.168 -11.526 -0.446 672 1HB GLU 87 1HB GLU 87 -1.095 -8.922 -1.976 673 2HB GLU 87 2HB GLU 87 -2.290 -10.186 -2.229 674 1HG GLU 87 1HG GLU 87 -1.857 -8.639 0.316 675 2HG GLU 87 2HG GLU 87 -3.179 -8.420 -0.831 676 H ALA 88 H ALA 88 1.207 -9.845 -2.490 677 HA ALA 88 HA ALA 88 1.003 -11.331 -4.795 678 1HB ALA 88 1HB ALA 88 3.546 -10.269 -3.580 679 2HB ALA 88 2HB ALA 88 2.424 -9.361 -4.592 680 3HB ALA 88 3HB ALA 88 3.312 -10.728 -5.266 681 H ILE 89 H ILE 89 2.847 -12.124 -1.868 682 HA ILE 89 HA ILE 89 4.121 -14.413 -2.860 683 HB ILE 89 HB ILE 89 4.239 -13.090 -0.504 684 1HG1 ILE 89 1HG1 ILE 89 5.992 -14.513 -1.441 685 2HG1 ILE 89 2HG1 ILE 89 5.753 -14.863 0.266 686 1HG2 ILE 89 1HG2 ILE 89 2.143 -14.045 0.319 687 2HG2 ILE 89 2HG2 ILE 89 3.515 -14.529 1.314 688 3HG2 ILE 89 3HG2 ILE 89 2.817 -15.665 0.158 689 1HD1 ILE 89 1HD1 ILE 89 4.451 -16.847 -0.337 690 2HD1 ILE 89 2HD1 ILE 89 6.087 -16.898 -0.995 691 3HD1 ILE 89 3HD1 ILE 89 4.727 -16.497 -2.043 692 H LYS 90 H LYS 90 0.929 -13.931 -1.462 693 HA LYS 90 HA LYS 90 0.301 -16.757 -1.583 694 1HB LYS 90 1HB LYS 90 -1.423 -14.385 -0.849 695 2HB LYS 90 2HB LYS 90 -1.896 -16.071 -0.689 696 1HG LYS 90 1HG LYS 90 0.409 -14.777 0.753 697 2HG LYS 90 2HG LYS 90 -1.189 -15.067 1.439 698 1HD LYS 90 1HD LYS 90 0.630 -17.222 0.365 699 2HD LYS 90 2HD LYS 90 0.496 -16.786 2.067 700 1HE LYS 90 1HE LYS 90 -1.877 -17.373 2.034 701 2HE LYS 90 2HE LYS 90 -1.751 -17.795 0.326 702 1HZ LYS 90 1HZ LYS 90 -0.312 -19.132 2.552 703 2HZ LYS 90 2HZ LYS 90 -0.170 -19.531 0.915 704 3HZ LYS 90 3HZ LYS 90 -1.643 -19.758 1.715 705 H PHE 91 H PHE 91 0.148 -14.074 -3.648 706 HA PHE 91 HA PHE 91 -1.955 -15.302 -5.280 707 1HB PHE 91 1HB PHE 91 -1.011 -12.479 -4.978 708 2HB PHE 91 2HB PHE 91 -1.835 -12.979 -6.460 709 HD1 PHE 91 HD1 PHE 91 -2.218 -11.970 -3.054 710 HD2 PHE 91 HD2 PHE 91 -4.143 -14.010 -6.253 711 HE1 PHE 91 HE1 PHE 91 -4.389 -11.658 -1.941 712 HE2 PHE 91 HE2 PHE 91 -6.317 -13.701 -5.147 713 HZ PHE 91 HZ PHE 91 -6.451 -12.572 -2.992 714 H SER 92 H SER 92 1.082 -15.808 -5.074 715 HA SER 92 HA SER 92 2.859 -16.217 -6.453 716 1HB SER 92 1HB SER 92 0.581 -16.988 -8.287 717 2HB SER 92 2HB SER 92 2.260 -17.484 -8.487 718 HG SER 92 HG SER 92 0.512 -18.802 -7.197 719 H GLU 93 H GLU 93 3.381 -13.919 -6.586 720 HA GLU 93 HA GLU 93 3.503 -13.066 -9.348 721 1HB GLU 93 1HB GLU 93 1.858 -11.675 -7.285 722 2HB GLU 93 2HB GLU 93 2.749 -10.686 -8.440 723 1HG GLU 93 1HG GLU 93 0.802 -12.860 -9.181 724 2HG GLU 93 2HG GLU 93 0.417 -11.141 -9.111 725 H GLU 94 H GLU 94 5.724 -13.313 -9.154 726 HA GLU 94 HA GLU 94 7.167 -11.879 -7.095 727 1HB GLU 94 1HB GLU 94 9.183 -12.819 -8.225 728 2HB GLU 94 2HB GLU 94 8.026 -14.035 -7.703 729 1HG GLU 94 1HG GLU 94 7.184 -14.226 -9.981 730 2HG GLU 94 2HG GLU 94 8.321 -12.986 -10.510 731 H GLN 95 H GLN 95 6.721 -11.683 -10.606 732 HA GLN 95 HA GLN 95 8.507 -9.569 -11.079 733 1HB GLN 95 1HB GLN 95 7.249 -9.220 -13.171 734 2HB GLN 95 2HB GLN 95 7.627 -10.916 -12.900 735 1HG GLN 95 1HG GLN 95 5.370 -11.337 -12.154 736 2HG GLN 95 2HG GLN 95 4.973 -9.626 -12.305 737 1HE2 GLN 95 1HE2 GLN 95 6.989 -11.327 -14.590 738 2HE2 GLN 95 2HE2 GLN 95 5.867 -11.293 -15.904 739 H ARG 96 H ARG 96 5.117 -9.613 -10.144 740 HA ARG 96 HA ARG 96 4.508 -6.912 -10.462 741 1HB ARG 96 1HB ARG 96 3.322 -9.209 -9.247 742 2HB ARG 96 2HB ARG 96 3.209 -7.869 -8.115 743 1HG ARG 96 1HG ARG 96 2.367 -7.546 -10.969 744 2HG ARG 96 2HG ARG 96 1.288 -8.263 -9.769 745 1HD ARG 96 1HD ARG 96 0.816 -5.913 -9.944 746 2HD ARG 96 2HD ARG 96 1.555 -6.240 -8.375 747 HE ARG 96 HE ARG 96 3.680 -5.429 -9.478 748 1HH1 ARG 96 1HH1 ARG 96 0.532 -4.338 -10.503 749 2HH1 ARG 96 2HH1 ARG 96 1.104 -2.799 -11.052 750 1HH2 ARG 96 1HH2 ARG 96 4.437 -3.407 -10.193 751 2HH2 ARG 96 2HH2 ARG 96 3.323 -2.270 -10.874 752 H PHE 97 H PHE 97 6.373 -8.541 -8.022 753 HA PHE 97 HA PHE 97 6.259 -6.445 -6.104 754 1HB PHE 97 1HB PHE 97 6.927 -8.969 -5.820 755 2HB PHE 97 2HB PHE 97 8.537 -8.384 -6.222 756 HD1 PHE 97 HD1 PHE 97 6.109 -8.800 -3.654 757 HD2 PHE 97 HD2 PHE 97 9.502 -6.499 -4.795 758 HE1 PHE 97 HE1 PHE 97 6.439 -8.133 -1.310 759 HE2 PHE 97 HE2 PHE 97 9.838 -5.826 -2.451 760 HZ PHE 97 HZ PHE 97 8.306 -6.644 -0.706 761 H ASN 98 H ASN 98 8.910 -7.515 -8.238 762 HA ASN 98 HA ASN 98 10.505 -5.248 -7.691 763 1HB ASN 98 1HB ASN 98 11.755 -5.929 -9.765 764 2HB ASN 98 2HB ASN 98 11.572 -7.211 -8.573 765 1HD2 ASN 98 1HD2 ASN 98 10.479 -5.987 -11.657 766 2HD2 ASN 98 2HD2 ASN 98 9.801 -7.472 -12.222 767 H ASN 99 H ASN 99 7.742 -5.709 -9.659 768 HA ASN 99 HA ASN 99 8.317 -3.573 -11.480 769 1HB ASN 99 1HB ASN 99 6.757 -5.536 -11.938 770 2HB ASN 99 2HB ASN 99 5.586 -4.724 -10.898 771 1HD2 ASN 99 1HD2 ASN 99 7.261 -4.660 -13.935 772 2HD2 ASN 99 2HD2 ASN 99 6.295 -3.435 -14.676 773 H PHE 100 H PHE 100 6.033 -3.902 -8.724 774 HA PHE 100 HA PHE 100 5.289 -1.154 -8.814 775 1HB PHE 100 1HB PHE 100 3.806 -2.736 -7.761 776 2HB PHE 100 2HB PHE 100 5.050 -3.265 -6.662 777 HD1 PHE 100 HD1 PHE 100 5.234 0.184 -6.883 778 HD2 PHE 100 HD2 PHE 100 2.885 -2.870 -5.101 779 HE1 PHE 100 HE1 PHE 100 4.411 1.791 -5.218 780 HE2 PHE 100 HE2 PHE 100 2.047 -1.270 -3.444 781 HZ PHE 100 HZ PHE 100 2.695 0.851 -3.363 782 H LEU 101 H LEU 101 7.829 -2.960 -7.230 783 HA LEU 101 HA LEU 101 8.629 -0.864 -5.503 784 1HB LEU 101 1HB LEU 101 9.173 -3.335 -5.317 785 2HB LEU 101 2HB LEU 101 10.377 -3.071 -6.560 786 HG LEU 101 HG LEU 101 11.869 -2.256 -5.098 787 1HD1 LEU 101 1HD1 LEU 101 9.639 -0.758 -3.706 788 2HD1 LEU 101 2HD1 LEU 101 10.742 -0.102 -4.915 789 3HD1 LEU 101 3HD1 LEU 101 11.358 -0.603 -3.347 790 1HD2 LEU 101 1HD2 LEU 101 11.129 -2.797 -2.619 791 2HD2 LEU 101 2HD2 LEU 101 11.470 -4.082 -3.779 792 3HD2 LEU 101 3HD2 LEU 101 9.803 -3.616 -3.443 793 H LYS 102 H LYS 102 9.960 -1.964 -8.644 794 HA LYS 102 HA LYS 102 11.857 0.176 -8.592 795 1HB LYS 102 1HB LYS 102 11.050 -1.645 -10.868 796 2HB LYS 102 2HB LYS 102 12.400 -0.522 -10.908 797 1HG LYS 102 1HG LYS 102 12.098 -3.012 -9.260 798 2HG LYS 102 2HG LYS 102 13.331 -2.631 -10.458 799 1HD LYS 102 1HD LYS 102 12.996 -1.317 -7.759 800 2HD LYS 102 2HD LYS 102 14.241 -2.482 -8.205 801 1HE LYS 102 1HE LYS 102 13.866 0.259 -9.408 802 2HE LYS 102 2HE LYS 102 15.099 -0.193 -8.234 803 1HZ LYS 102 1HZ LYS 102 16.058 -0.210 -10.405 804 2HZ LYS 102 2HZ LYS 102 14.832 -1.206 -11.011 805 3HZ LYS 102 3HZ LYS 102 15.936 -1.815 -9.881 806 H ALA 103 H ALA 103 8.597 -0.181 -9.656 807 HA ALA 103 HA ALA 103 8.689 2.095 -11.433 808 1HB ALA 103 1HB ALA 103 7.143 0.262 -11.908 809 2HB ALA 103 2HB ALA 103 6.277 1.781 -11.664 810 3HB ALA 103 3HB ALA 103 6.308 0.568 -10.384 811 H LEU 104 H LEU 104 7.594 1.397 -8.142 812 HA LEU 104 HA LEU 104 6.409 3.944 -7.749 813 1HB LEU 104 1HB LEU 104 6.296 3.412 -5.432 814 2HB LEU 104 2HB LEU 104 5.991 1.925 -6.301 815 HG LEU 104 HG LEU 104 8.556 1.511 -5.901 816 1HD1 LEU 104 1HD1 LEU 104 8.941 3.751 -4.929 817 2HD1 LEU 104 2HD1 LEU 104 9.393 2.431 -3.853 818 3HD1 LEU 104 3HD1 LEU 104 7.888 3.310 -3.588 819 1HD2 LEU 104 1HD2 LEU 104 7.992 0.428 -3.736 820 2HD2 LEU 104 2HD2 LEU 104 6.860 0.057 -5.035 821 3HD2 LEU 104 3HD2 LEU 104 6.424 1.231 -3.793 822 H GLN 105 H GLN 105 9.614 2.550 -7.146 823 HA GLN 105 HA GLN 105 10.726 4.835 -5.941 824 1HB GLN 105 1HB GLN 105 12.064 3.112 -5.489 825 2HB GLN 105 2HB GLN 105 11.733 2.286 -7.009 826 1HG GLN 105 1HG GLN 105 14.023 2.812 -7.025 827 2HG GLN 105 2HG GLN 105 13.258 3.982 -8.103 828 1HE2 GLN 105 1HE2 GLN 105 15.798 4.158 -6.720 829 2HE2 GLN 105 2HE2 GLN 105 15.717 5.563 -5.721 830 H GLU 106 H GLU 106 11.029 3.651 -9.319 831 HA GLU 106 HA GLU 106 12.505 5.778 -10.289 832 1HB GLU 106 1HB GLU 106 11.747 5.227 -12.474 833 2HB GLU 106 2HB GLU 106 11.801 3.713 -11.585 834 1HG GLU 106 1HG GLU 106 9.413 3.758 -11.285 835 2HG GLU 106 2HG GLU 106 9.313 5.343 -12.052 836 H LYS 107 H LYS 107 9.079 5.500 -9.597 837 HA LYS 107 HA LYS 107 8.275 7.962 -10.710 838 1HB LYS 107 1HB LYS 107 6.696 6.191 -10.151 839 2HB LYS 107 2HB LYS 107 7.098 6.339 -8.449 840 1HG LYS 107 1HG LYS 107 6.318 8.896 -9.233 841 2HG LYS 107 2HG LYS 107 5.182 7.797 -10.015 842 1HD LYS 107 1HD LYS 107 5.805 8.024 -7.076 843 2HD LYS 107 2HD LYS 107 4.274 8.361 -7.884 844 1HE LYS 107 1HE LYS 107 5.566 5.718 -7.307 845 2HE LYS 107 2HE LYS 107 3.939 6.270 -6.908 846 1HZ LYS 107 1HZ LYS 107 3.524 6.297 -9.374 847 2HZ LYS 107 2HZ LYS 107 3.718 4.765 -8.684 848 3HZ LYS 107 3HZ LYS 107 4.985 5.462 -9.561 849 H VAL 108 H VAL 108 9.435 7.084 -7.446 850 HA VAL 108 HA VAL 108 8.918 9.583 -6.254 851 HB VAL 108 HB VAL 108 10.087 8.897 -4.407 852 1HG1 VAL 108 1HG1 VAL 108 9.737 6.245 -5.736 853 2HG1 VAL 108 2HG1 VAL 108 8.429 7.187 -5.025 854 3HG1 VAL 108 3HG1 VAL 108 9.743 6.591 -4.009 855 1HG2 VAL 108 1HG2 VAL 108 12.015 7.547 -6.256 856 2HG2 VAL 108 2HG2 VAL 108 12.022 7.262 -4.519 857 3HG2 VAL 108 3HG2 VAL 108 12.306 8.885 -5.149 858 H GLU 109 H GLU 109 11.668 8.402 -8.133 859 HA GLU 109 HA GLU 109 13.330 10.665 -7.643 860 1HB GLU 109 1HB GLU 109 13.772 9.454 -10.252 861 2HB GLU 109 2HB GLU 109 14.853 9.564 -8.873 862 1HG GLU 109 1HG GLU 109 13.637 7.614 -7.884 863 2HG GLU 109 2HG GLU 109 12.784 7.464 -9.421 864 H ILE 110 H ILE 110 11.158 9.780 -10.293 865 HA ILE 110 HA ILE 110 11.542 12.040 -11.890 866 HB ILE 110 HB ILE 110 9.392 10.005 -11.631 867 1HG1 ILE 110 1HG1 ILE 110 9.906 9.686 -14.030 868 2HG1 ILE 110 2HG1 ILE 110 11.078 10.994 -13.934 869 1HG2 ILE 110 1HG2 ILE 110 8.040 11.954 -11.910 870 2HG2 ILE 110 2HG2 ILE 110 8.109 11.115 -13.460 871 3HG2 ILE 110 3HG2 ILE 110 9.087 12.558 -13.195 872 1HD1 ILE 110 1HD1 ILE 110 12.267 9.627 -12.187 873 2HD1 ILE 110 2HD1 ILE 110 12.287 8.979 -13.828 874 3HD1 ILE 110 3HD1 ILE 110 11.189 8.301 -12.624 875 H LYS 111 H LYS 111 9.576 11.546 -9.042 876 HA LYS 111 HA LYS 111 8.454 14.242 -9.364 877 1HB LYS 111 1HB LYS 111 7.437 11.741 -8.147 878 2HB LYS 111 2HB LYS 111 6.969 13.251 -7.377 879 1HG LYS 111 1HG LYS 111 6.319 13.971 -9.786 880 2HG LYS 111 2HG LYS 111 6.317 12.233 -10.101 881 1HD LYS 111 1HD LYS 111 4.766 13.557 -7.881 882 2HD LYS 111 2HD LYS 111 4.089 13.162 -9.464 883 1HE LYS 111 1HE LYS 111 4.656 10.789 -9.073 884 2HE LYS 111 2HE LYS 111 5.241 11.215 -7.465 885 1HZ LYS 111 1HZ LYS 111 2.988 10.363 -7.380 886 2HZ LYS 111 2HZ LYS 111 2.458 11.565 -8.446 887 3HZ LYS 111 3HZ LYS 111 3.016 11.986 -6.905 888 H GLN 112 H GLN 112 7.620 14.652 -6.780 889 HA GLN 112 HA GLN 112 10.134 15.339 -5.438 890 1HB GLN 112 1HB GLN 112 7.351 16.411 -5.474 891 2HB GLN 112 2HB GLN 112 8.378 16.746 -4.091 892 1HG GLN 112 1HG GLN 112 9.075 17.422 -6.944 893 2HG GLN 112 2HG GLN 112 8.378 18.553 -5.785 894 1HE2 GLN 112 1HE2 GLN 112 11.204 16.734 -6.678 895 2HE2 GLN 112 2HE2 GLN 112 12.318 17.578 -5.662 896 H LEU 113 H LEU 113 9.631 12.745 -5.011 897 HA LEU 113 HA LEU 113 8.552 12.786 -2.291 898 1HB LEU 113 1HB LEU 113 7.979 10.775 -4.447 899 2HB LEU 113 2HB LEU 113 7.567 10.547 -2.757 900 HG LEU 113 HG LEU 113 5.640 11.298 -3.943 901 1HD1 LEU 113 1HD1 LEU 113 6.051 12.107 -1.644 902 2HD1 LEU 113 2HD1 LEU 113 4.957 13.114 -2.597 903 3HD1 LEU 113 3HD1 LEU 113 6.630 13.615 -2.353 904 1HD2 LEU 113 1HD2 LEU 113 7.298 12.720 -5.552 905 2HD2 LEU 113 2HD2 LEU 113 6.467 13.968 -4.621 906 3HD2 LEU 113 3HD2 LEU 113 5.537 12.795 -5.552 907 H ASN 114 H ASN 114 11.083 13.076 -2.338 908 HA ASN 114 HA ASN 114 12.540 10.614 -2.519 909 1HB ASN 114 1HB ASN 114 13.357 13.272 -1.312 910 2HB ASN 114 2HB ASN 114 14.437 11.923 -1.647 911 1HD2 ASN 114 1HD2 ASN 114 14.481 14.658 -2.655 912 2HD2 ASN 114 2HD2 ASN 114 14.418 14.532 -4.378 913 H HIS 115 H HIS 115 11.223 12.650 0.061 914 HA HIS 115 HA HIS 115 12.229 11.422 2.312 915 1HB HIS 115 1HB HIS 115 9.410 12.439 1.888 916 2HB HIS 115 2HB HIS 115 10.147 12.115 3.454 917 HD1 HIS 115 HD1 HIS 115 11.770 13.855 4.384 918 HD2 HIS 115 HD2 HIS 115 10.360 14.764 0.581 919 HE1 HIS 115 HE1 HIS 115 12.466 16.234 3.960 920 HE2 HIS 115 HE2 HIS 115 11.678 16.734 1.619 921 H PHE 116 H PHE 116 9.442 10.487 0.357 922 HA PHE 116 HA PHE 116 8.559 8.295 1.801 923 1HB PHE 116 1HB PHE 116 7.249 9.003 -0.054 924 2HB PHE 116 2HB PHE 116 8.616 8.900 -1.155 925 HD1 PHE 116 HD1 PHE 116 7.818 7.471 -2.802 926 HD2 PHE 116 HD2 PHE 116 7.487 6.334 1.287 927 HE1 PHE 116 HE1 PHE 116 7.109 5.219 -3.489 928 HE2 PHE 116 HE2 PHE 116 6.780 4.080 0.604 929 HZ PHE 116 HZ PHE 116 6.590 3.520 -1.784 930 H TRP 117 H TRP 117 10.849 8.350 -0.913 931 HA TRP 117 HA TRP 117 11.711 5.740 -0.857 932 1HB TRP 117 1HB TRP 117 12.414 7.183 -2.631 933 2HB TRP 117 2HB TRP 117 13.199 8.287 -1.512 934 HD1 TRP 117 HD1 TRP 117 15.719 7.937 -1.133 935 HE1 TRP 117 HE1 TRP 117 17.434 6.144 -1.816 936 HE3 TRP 117 HE3 TRP 117 12.516 4.436 -3.041 937 HZ2 TRP 117 HZ2 TRP 117 17.430 3.587 -3.009 938 HZ3 TRP 117 HZ3 TRP 117 13.455 2.343 -3.935 939 HH2 TRP 117 HH2 TRP 117 15.863 1.931 -3.917 940 H GLU 118 H GLU 118 12.674 8.446 1.183 941 HA GLU 118 HA GLU 118 14.884 7.294 2.441 942 1HB GLU 118 1HB GLU 118 12.909 9.228 3.664 943 2HB GLU 118 2HB GLU 118 14.541 8.915 4.230 944 1HG GLU 118 1HG GLU 118 13.741 10.210 1.641 945 2HG GLU 118 2HG GLU 118 14.505 10.979 3.029 946 H ILE 119 H ILE 119 11.478 7.396 3.633 947 HA ILE 119 HA ILE 119 12.010 5.796 5.887 948 HB ILE 119 HB ILE 119 9.664 5.395 6.120 949 1HG1 ILE 119 1HG1 ILE 119 9.419 6.370 3.273 950 2HG1 ILE 119 2HG1 ILE 119 9.040 4.760 3.878 951 1HG2 ILE 119 1HG2 ILE 119 8.842 7.644 6.203 952 2HG2 ILE 119 2HG2 ILE 119 10.038 8.168 5.016 953 3HG2 ILE 119 3HG2 ILE 119 10.558 7.643 6.618 954 1HD1 ILE 119 1HD1 ILE 119 7.017 5.989 3.483 955 2HD1 ILE 119 2HD1 ILE 119 7.576 7.311 4.505 956 3HD1 ILE 119 3HD1 ILE 119 7.220 5.737 5.216 957 H VAL 120 H VAL 120 11.328 4.902 2.533 958 HA VAL 120 HA VAL 120 10.891 2.160 3.111 959 HB VAL 120 HB VAL 120 10.599 1.860 0.931 960 1HG1 VAL 120 1HG1 VAL 120 11.200 4.792 0.691 961 2HG1 VAL 120 2HG1 VAL 120 9.656 4.093 1.172 962 3HG1 VAL 120 3HG1 VAL 120 10.282 3.818 -0.455 963 1HG2 VAL 120 1HG2 VAL 120 13.222 3.227 0.416 964 2HG2 VAL 120 2HG2 VAL 120 12.243 2.404 -0.800 965 3HG2 VAL 120 3HG2 VAL 120 12.938 1.492 0.542 966 H VAL 121 H VAL 121 13.882 4.007 2.421 967 HA VAL 121 HA VAL 121 15.608 1.756 2.432 968 HB VAL 121 HB VAL 121 17.337 3.183 2.250 969 1HG1 VAL 121 1HG1 VAL 121 16.838 5.250 1.253 970 2HG1 VAL 121 2HG1 VAL 121 15.308 5.384 2.118 971 3HG1 VAL 121 3HG1 VAL 121 15.501 4.173 0.852 972 1HG2 VAL 121 1HG2 VAL 121 17.498 3.721 4.566 973 2HG2 VAL 121 2HG2 VAL 121 16.139 4.841 4.456 974 3HG2 VAL 121 3HG2 VAL 121 17.660 5.215 3.644 975 H GLN 122 H GLN 122 14.258 3.786 4.919 976 HA GLN 122 HA GLN 122 15.748 2.696 7.094 977 1HB GLN 122 1HB GLN 122 14.820 4.909 7.280 978 2HB GLN 122 2HB GLN 122 13.202 4.317 6.942 979 1HG GLN 122 1HG GLN 122 14.688 3.339 9.337 980 2HG GLN 122 2HG GLN 122 13.882 4.907 9.359 981 1HE2 GLN 122 1HE2 GLN 122 11.744 4.035 7.595 982 2HE2 GLN 122 2HE2 GLN 122 10.712 3.027 8.547 983 H ASP 123 H ASP 123 12.931 1.794 5.343 984 HA ASP 123 HA ASP 123 12.172 -0.182 7.375 985 1HB ASP 123 1HB ASP 123 10.715 0.995 5.010 986 2HB ASP 123 2HB ASP 123 10.124 -0.434 5.855 987 H GLY 124 H GLY 124 14.081 0.023 4.683 988 1HA GLY 124 1HA GLY 124 15.000 -1.538 3.264 989 2HA GLY 124 2HA GLY 124 14.477 -2.745 4.434 990 H ILE 125 H ILE 125 12.819 -0.521 2.210 991 HA ILE 125 HA ILE 125 11.205 -2.799 1.268 992 HB ILE 125 HB ILE 125 10.392 0.105 1.217 993 1HG1 ILE 125 1HG1 ILE 125 10.699 -0.557 3.536 994 2HG1 ILE 125 2HG1 ILE 125 8.981 -0.430 3.181 995 1HG2 ILE 125 1HG2 ILE 125 8.144 -0.805 0.910 996 2HG2 ILE 125 2HG2 ILE 125 8.808 -2.439 0.901 997 3HG2 ILE 125 3HG2 ILE 125 9.234 -1.306 -0.382 998 1HD1 ILE 125 1HD1 ILE 125 9.479 -2.371 4.558 999 2HD1 ILE 125 2HD1 ILE 125 10.561 -2.987 3.309 1000 3HD1 ILE 125 3HD1 ILE 125 8.832 -2.848 2.988 1001 H THR 126 H THR 126 13.361 -2.821 -0.123 1002 HA THR 126 HA THR 126 12.583 -1.653 -2.671 1003 HB THR 126 HB THR 126 15.398 -1.353 -1.635 1004 HG1 THR 126 HG1 THR 126 13.342 0.597 -1.987 1005 1HG2 THR 126 1HG2 THR 126 14.022 -0.395 -4.146 1006 2HG2 THR 126 2HG2 THR 126 15.358 -1.546 -4.034 1007 3HG2 THR 126 3HG2 THR 126 15.617 0.149 -3.616 1008 H LEU 127 H LEU 127 13.930 -2.517 -4.483 1009 HA LEU 127 HA LEU 127 14.191 -4.400 -5.737 1010 1HB LEU 127 1HB LEU 127 16.369 -5.355 -5.484 1011 2HB LEU 127 2HB LEU 127 16.443 -3.634 -5.194 1012 HG LEU 127 HG LEU 127 16.455 -5.669 -2.987 1013 1HD1 LEU 127 1HD1 LEU 127 18.735 -4.394 -4.396 1014 2HD1 LEU 127 2HD1 LEU 127 18.362 -6.115 -4.284 1015 3HD1 LEU 127 3HD1 LEU 127 18.856 -5.224 -2.843 1016 1HD2 LEU 127 1HD2 LEU 127 16.523 -2.760 -3.082 1017 2HD2 LEU 127 2HD2 LEU 127 17.674 -3.537 -2.001 1018 3HD2 LEU 127 3HD2 LEU 127 15.960 -3.847 -1.818 1019 H ILE 128 H ILE 128 15.295 -6.893 -5.232 1020 HA ILE 128 HA ILE 128 13.158 -8.107 -3.617 1021 HB ILE 128 HB ILE 128 14.813 -9.430 -5.772 1022 1HG1 ILE 128 1HG1 ILE 128 13.379 -7.700 -6.741 1023 2HG1 ILE 128 2HG1 ILE 128 12.779 -9.300 -7.162 1024 1HG2 ILE 128 1HG2 ILE 128 13.771 -10.804 -3.872 1025 2HG2 ILE 128 2HG2 ILE 128 13.463 -11.319 -5.529 1026 3HG2 ILE 128 3HG2 ILE 128 12.226 -10.433 -4.635 1027 1HD1 ILE 128 1HD1 ILE 128 11.071 -9.103 -5.413 1028 2HD1 ILE 128 2HD1 ILE 128 10.949 -7.813 -6.608 1029 3HD1 ILE 128 3HD1 ILE 128 11.664 -7.488 -5.029 1030 H THR 129 H THR 129 13.780 -8.711 -1.681 1031 HA THR 129 HA THR 129 16.508 -8.921 -0.947 1032 HB THR 129 HB THR 129 15.765 -9.374 1.263 1033 HG1 THR 129 HG1 THR 129 13.070 -9.643 0.567 1034 1HG2 THR 129 1HG2 THR 129 14.161 -7.588 1.655 1035 2HG2 THR 129 2HG2 THR 129 13.723 -7.587 -0.053 1036 3HG2 THR 129 3HG2 THR 129 15.342 -7.099 0.444 1037 H LYS 130 H LYS 130 17.117 -10.537 -2.537 1038 HA LYS 130 HA LYS 130 17.816 -12.954 -1.509 1039 1HB LYS 130 1HB LYS 130 16.249 -14.551 -2.654 1040 2HB LYS 130 2HB LYS 130 15.527 -13.657 -1.326 1041 1HG LYS 130 1HG LYS 130 14.713 -12.040 -3.157 1042 2HG LYS 130 2HG LYS 130 15.077 -13.364 -4.266 1043 1HD LYS 130 1HD LYS 130 12.824 -13.674 -3.732 1044 2HD LYS 130 2HD LYS 130 13.679 -14.808 -2.683 1045 1HE LYS 130 1HE LYS 130 11.957 -13.646 -1.430 1046 2HE LYS 130 2HE LYS 130 13.555 -13.183 -0.848 1047 1HZ LYS 130 1HZ LYS 130 12.095 -11.271 -1.065 1048 2HZ LYS 130 2HZ LYS 130 11.872 -11.596 -2.710 1049 3HZ LYS 130 3HZ LYS 130 13.398 -11.150 -2.138 1050 H GLU 131 H GLU 131 16.318 -11.838 -4.529 1051 HA GLU 131 HA GLU 131 18.634 -11.462 -5.981 1052 1HB GLU 131 1HB GLU 131 18.290 -13.555 -7.538 1053 2HB GLU 131 2HB GLU 131 19.282 -13.676 -6.093 1054 1HG GLU 131 1HG GLU 131 17.358 -14.638 -4.890 1055 2HG GLU 131 2HG GLU 131 16.421 -14.572 -6.380 1056 H GLU 132 H GLU 132 15.887 -13.381 -7.100 1057 HA GLU 132 HA GLU 132 14.557 -11.048 -8.201 1058 1HB GLU 132 1HB GLU 132 15.631 -13.288 -9.927 1059 2HB GLU 132 2HB GLU 132 14.417 -12.138 -10.469 1060 1HG GLU 132 1HG GLU 132 16.014 -10.308 -10.081 1061 2HG GLU 132 2HG GLU 132 17.234 -11.500 -9.621 1062 H ALA 133 H ALA 133 14.419 -13.658 -6.445 1063 HA ALA 133 HA ALA 133 12.059 -14.948 -7.502 1064 1HB ALA 133 1HB ALA 133 13.750 -16.298 -6.417 1065 2HB ALA 133 2HB ALA 133 12.247 -16.367 -5.497 1066 3HB ALA 133 3HB ALA 133 13.581 -15.358 -4.934 1067 H SER 134 H SER 134 10.934 -15.484 -4.851 1068 HA SER 134 HA SER 134 9.878 -12.847 -4.112 1069 1HB SER 134 1HB SER 134 7.597 -13.791 -4.002 1070 2HB SER 134 2HB SER 134 8.254 -13.856 -5.637 1071 HG SER 134 HG SER 134 7.282 -15.828 -5.079 1072 H GLY 135 H GLY 135 10.957 -15.966 -3.209 1073 1HA GLY 135 1HA GLY 135 10.333 -15.339 -0.390 1074 2HA GLY 135 2HA GLY 135 10.157 -16.967 -1.025 1075 H SER 136 H SER 136 12.116 -18.037 -1.815 1076 HA SER 136 HA SER 136 14.229 -18.816 -1.480 1077 1HB SER 136 1HB SER 136 14.746 -16.664 -2.682 1078 2HB SER 136 2HB SER 136 14.989 -15.911 -1.108 1079 HG SER 136 HG SER 136 16.971 -16.577 -1.550 1080 H SER 137 H SER 137 16.256 -18.471 0.083 1081 HA SER 137 HA SER 137 15.145 -18.482 2.799 1082 1HB SER 137 1HB SER 137 17.735 -19.651 1.749 1083 2HB SER 137 2HB SER 137 17.162 -19.773 3.412 1084 HG SER 137 HG SER 137 16.683 -21.489 1.604 1085 H VAL 138 H VAL 138 16.536 -16.373 0.807 1086 HA VAL 138 HA VAL 138 18.593 -15.278 2.495 1087 HB VAL 138 HB VAL 138 17.246 -14.051 0.080 1088 1HG1 VAL 138 1HG1 VAL 138 18.382 -12.394 1.451 1089 2HG1 VAL 138 2HG1 VAL 138 19.280 -12.666 -0.043 1090 3HG1 VAL 138 3HG1 VAL 138 19.843 -13.380 1.468 1091 1HG2 VAL 138 1HG2 VAL 138 19.792 -15.660 0.273 1092 2HG2 VAL 138 2HG2 VAL 138 19.190 -14.851 -1.174 1093 3HG2 VAL 138 3HG2 VAL 138 18.281 -16.187 -0.468 1094 H THR 139 H THR 139 18.528 -13.236 3.543 1095 HA THR 139 HA THR 139 15.882 -12.600 4.598 1096 HB THR 139 HB THR 139 16.905 -11.677 6.457 1097 HG1 THR 139 HG1 THR 139 19.478 -11.392 5.807 1098 1HG2 THR 139 1HG2 THR 139 18.893 -13.092 7.039 1099 2HG2 THR 139 2HG2 THR 139 18.829 -13.744 5.401 1100 3HG2 THR 139 3HG2 THR 139 17.477 -13.997 6.504 1101 H ALA 140 H ALA 140 16.088 -10.066 5.401 1102 HA ALA 140 HA ALA 140 15.561 -8.561 3.049 1103 1HB ALA 140 1HB ALA 140 14.386 -8.217 5.191 1104 2HB ALA 140 2HB ALA 140 15.082 -6.730 4.547 1105 3HB ALA 140 3HB ALA 140 15.877 -7.571 5.879 1106 H GLU 141 H GLU 141 18.424 -9.305 4.634 1107 HA GLU 141 HA GLU 141 20.000 -7.111 4.733 1108 1HB GLU 141 1HB GLU 141 20.651 -9.886 3.783 1109 2HB GLU 141 2HB GLU 141 21.888 -8.644 3.962 1110 1HG GLU 141 1HG GLU 141 21.329 -8.405 6.308 1111 2HG GLU 141 2HG GLU 141 20.060 -9.613 6.143 1112 H GLU 142 H GLU 142 19.263 -8.938 1.762 1113 HA GLU 142 HA GLU 142 20.925 -7.606 -0.001 1114 1HB GLU 142 1HB GLU 142 18.106 -8.426 -0.695 1115 2HB GLU 142 2HB GLU 142 19.492 -8.330 -1.769 1116 1HG GLU 142 1HG GLU 142 19.113 -10.304 0.469 1117 2HG GLU 142 2HG GLU 142 18.963 -10.633 -1.257 1118 H ALA 143 H ALA 143 17.689 -6.700 1.106 1119 HA ALA 143 HA ALA 143 17.543 -4.352 -0.479 1120 1HB ALA 143 1HB ALA 143 15.518 -5.369 0.310 1121 2HB ALA 143 2HB ALA 143 15.646 -3.744 0.983 1122 3HB ALA 143 3HB ALA 143 16.017 -5.147 1.988 1123 H LYS 144 H LYS 144 18.493 -5.016 2.844 1124 HA LYS 144 HA LYS 144 18.891 -2.371 3.668 1125 1HB LYS 144 1HB LYS 144 20.366 -4.874 4.524 1126 2HB LYS 144 2HB LYS 144 20.377 -3.342 5.390 1127 1HG LYS 144 1HG LYS 144 18.101 -3.537 5.972 1128 2HG LYS 144 2HG LYS 144 17.844 -4.853 4.825 1129 1HD LYS 144 1HD LYS 144 17.940 -5.760 7.054 1130 2HD LYS 144 2HD LYS 144 19.383 -6.260 6.174 1131 1HE LYS 144 1HE LYS 144 19.941 -5.574 8.440 1132 2HE LYS 144 2HE LYS 144 20.661 -4.482 7.257 1133 1HZ LYS 144 1HZ LYS 144 19.683 -3.282 9.118 1134 2HZ LYS 144 2HZ LYS 144 18.168 -3.958 8.786 1135 3HZ LYS 144 3HZ LYS 144 18.886 -2.906 7.674 1136 H LYS 145 H LYS 145 20.624 -4.417 1.532 1137 HA LYS 145 HA LYS 145 23.057 -2.842 1.627 1138 1HB LYS 145 1HB LYS 145 22.205 -5.265 0.059 1139 2HB LYS 145 2HB LYS 145 23.697 -4.408 -0.303 1140 1HG LYS 145 1HG LYS 145 23.010 -5.622 2.366 1141 2HG LYS 145 2HG LYS 145 24.037 -6.369 1.141 1142 1HD LYS 145 1HD LYS 145 25.525 -4.365 1.279 1143 2HD LYS 145 2HD LYS 145 24.548 -3.799 2.635 1144 1HE LYS 145 1HE LYS 145 26.121 -6.369 2.504 1145 2HE LYS 145 2HE LYS 145 26.532 -4.934 3.443 1146 1HZ LYS 145 1HZ LYS 145 24.099 -6.593 3.830 1147 2HZ LYS 145 2HZ LYS 145 24.541 -5.247 4.753 1148 3HZ LYS 145 3HZ LYS 145 25.484 -6.649 4.799 1149 H PHE 146 H PHE 146 20.425 -3.450 -0.733 1150 HA PHE 146 HA PHE 146 21.488 -1.920 -2.793 1151 1HB PHE 146 1HB PHE 146 19.457 -3.413 -2.929 1152 2HB PHE 146 2HB PHE 146 18.555 -2.044 -2.290 1153 HD1 PHE 146 HD1 PHE 146 21.387 -1.416 -4.510 1154 HD2 PHE 146 HD2 PHE 146 17.187 -2.033 -4.298 1155 HE1 PHE 146 HE1 PHE 146 21.142 -0.523 -6.778 1156 HE2 PHE 146 HE2 PHE 146 16.935 -1.137 -6.556 1157 HZ PHE 146 HZ PHE 146 18.913 -0.377 -7.814 1158 H LEU 147 H LEU 147 19.207 -1.028 -0.263 1159 HA LEU 147 HA LEU 147 18.944 1.674 -1.024 1160 1HB LEU 147 1HB LEU 147 18.254 0.185 1.462 1161 2HB LEU 147 2HB LEU 147 17.956 1.904 1.279 1162 HG LEU 147 HG LEU 147 16.981 0.240 -0.933 1163 1HD1 LEU 147 1HD1 LEU 147 15.834 0.036 1.828 1164 2HD1 LEU 147 2HD1 LEU 147 16.468 -1.264 0.823 1165 3HD1 LEU 147 3HD1 LEU 147 14.983 -0.436 0.359 1166 1HD2 LEU 147 1HD2 LEU 147 15.480 1.910 -1.151 1167 2HD2 LEU 147 2HD2 LEU 147 16.675 2.798 -0.204 1168 3HD2 LEU 147 3HD2 LEU 147 15.266 2.093 0.587 1169 H ALA 148 H ALA 148 21.526 0.108 0.456 1170 HA ALA 148 HA ALA 148 22.269 2.101 2.317 1171 1HB ALA 148 1HB ALA 148 24.382 1.026 2.482 1172 2HB ALA 148 2HB ALA 148 24.114 0.153 0.968 1173 3HB ALA 148 3HB ALA 148 23.128 -0.212 2.385 1174 HA PRO 149 HA PRO 149 23.978 5.025 -0.564 1175 1HB PRO 149 1HB PRO 149 24.960 6.654 1.534 1176 2HB PRO 149 2HB PRO 149 23.400 6.790 0.724 1177 1HG PRO 149 1HG PRO 149 23.769 6.091 3.392 1178 2HG PRO 149 2HG PRO 149 22.299 5.792 2.445 1179 1HD PRO 149 1HD PRO 149 24.559 3.924 3.080 1180 2HD PRO 149 2HD PRO 149 22.814 3.609 3.020 1181 H LYS 150 H LYS 150 25.837 3.212 1.642 1182 HA LYS 150 HA LYS 150 28.376 4.417 0.898 1183 1HB LYS 150 1HB LYS 150 29.350 2.731 2.422 1184 2HB LYS 150 2HB LYS 150 28.110 3.706 3.198 1185 1HG LYS 150 1HG LYS 150 26.496 1.874 2.853 1186 2HG LYS 150 2HG LYS 150 27.794 0.896 2.164 1187 1HD LYS 150 1HD LYS 150 29.026 1.063 4.282 1188 2HD LYS 150 2HD LYS 150 27.707 2.017 4.966 1189 1HE LYS 150 1HE LYS 150 26.181 0.126 4.622 1190 2HE LYS 150 2HE LYS 150 27.514 -0.824 3.967 1191 1HZ LYS 150 1HZ LYS 150 28.640 -0.624 6.107 1192 2HZ LYS 150 2HZ LYS 150 27.132 -1.367 6.276 1193 3HZ LYS 150 3HZ LYS 150 27.332 0.250 6.730 1194 H ASP 151 H ASP 151 26.431 2.679 -0.847 1195 HA ASP 151 HA ASP 151 27.843 0.356 -1.585 1196 1HB ASP 151 1HB ASP 151 25.484 0.683 -2.151 1197 2HB ASP 151 2HB ASP 151 25.910 2.027 -3.207 1198 H LYS 152 H LYS 152 28.354 3.676 -2.295 1199 HA LYS 152 HA LYS 152 29.881 3.228 -4.696 1200 1HB LYS 152 1HB LYS 152 29.741 5.711 -2.979 1201 2HB LYS 152 2HB LYS 152 30.329 5.612 -4.632 1202 1HG LYS 152 1HG LYS 152 27.497 5.147 -3.719 1203 2HG LYS 152 2HG LYS 152 28.106 6.568 -4.567 1204 1HD LYS 152 1HD LYS 152 28.724 5.101 -6.473 1205 2HD LYS 152 2HD LYS 152 27.977 3.744 -5.625 1206 1HE LYS 152 1HE LYS 152 26.433 4.654 -7.255 1207 2HE LYS 152 2HE LYS 152 25.833 4.950 -5.624 1208 1HZ LYS 152 1HZ LYS 152 27.229 6.920 -7.355 1209 2HZ LYS 152 2HZ LYS 152 26.703 7.213 -5.775 1210 3HZ LYS 152 3HZ LYS 152 25.576 6.905 -6.997 Start of MODEL 3 1 1H MET 1 1H MET 1 -40.821 -24.838 -36.257 2 2H MET 1 2H MET 1 -41.647 -23.838 -37.344 3 3H MET 1 3H MET 1 -42.359 -25.276 -36.810 4 HA MET 1 HA MET 1 -43.335 -23.369 -35.710 5 1HB MET 1 1HB MET 1 -43.044 -25.600 -34.561 6 2HB MET 1 2HB MET 1 -41.612 -24.938 -33.786 7 1HG MET 1 1HG MET 1 -42.986 -23.203 -32.741 8 2HG MET 1 2HG MET 1 -44.419 -23.888 -33.505 9 1HE MET 1 1HE MET 1 -44.400 -23.339 -30.497 10 2HE MET 1 2HE MET 1 -44.927 -24.843 -29.745 11 3HE MET 1 3HE MET 1 -45.744 -24.247 -31.189 12 H HIS 2 H HIS 2 -43.090 -21.354 -34.963 13 HA HIS 2 HA HIS 2 -40.352 -20.366 -34.598 14 1HB HIS 2 1HB HIS 2 -42.886 -18.757 -34.957 15 2HB HIS 2 2HB HIS 2 -41.232 -18.158 -35.030 16 HD1 HIS 2 HD1 HIS 2 -43.765 -20.079 -37.006 17 HD2 HIS 2 HD2 HIS 2 -39.909 -18.595 -37.452 18 HE1 HIS 2 HE1 HIS 2 -43.242 -20.296 -39.455 19 HE2 HIS 2 HE2 HIS 2 -40.929 -19.327 -39.713 20 H HIS 3 H HIS 3 -39.629 -19.661 -32.687 21 HA HIS 3 HA HIS 3 -41.443 -19.812 -30.400 22 1HB HIS 3 1HB HIS 3 -38.431 -19.522 -30.464 23 2HB HIS 3 2HB HIS 3 -39.414 -19.813 -29.032 24 HD1 HIS 3 HD1 HIS 3 -38.046 -21.511 -32.070 25 HD2 HIS 3 HD2 HIS 3 -40.272 -22.453 -28.690 26 HE1 HIS 3 HE1 HIS 3 -38.116 -24.023 -31.990 27 HE2 HIS 3 HE2 HIS 3 -39.386 -24.569 -29.883 28 H HIS 4 H HIS 4 -40.592 -18.170 -28.571 29 HA HIS 4 HA HIS 4 -41.197 -15.546 -29.639 30 1HB HIS 4 1HB HIS 4 -40.728 -16.459 -26.791 31 2HB HIS 4 2HB HIS 4 -41.284 -14.858 -27.266 32 HD1 HIS 4 HD1 HIS 4 -42.424 -18.412 -26.979 33 HD2 HIS 4 HD2 HIS 4 -43.979 -14.689 -27.974 34 HE1 HIS 4 HE1 HIS 4 -44.918 -18.720 -27.035 35 HE2 HIS 4 HE2 HIS 4 -45.843 -16.433 -27.550 36 H HIS 5 H HIS 5 -39.579 -14.415 -30.504 37 HA HIS 5 HA HIS 5 -37.083 -14.183 -28.974 38 1HB HIS 5 1HB HIS 5 -35.769 -14.246 -31.025 39 2HB HIS 5 2HB HIS 5 -36.710 -15.725 -30.866 40 HD1 HIS 5 HD1 HIS 5 -35.944 -13.080 -33.205 41 HD2 HIS 5 HD2 HIS 5 -39.146 -15.643 -32.549 42 HE1 HIS 5 HE1 HIS 5 -37.277 -13.050 -35.337 43 HE2 HIS 5 HE2 HIS 5 -39.247 -14.557 -34.894 44 H HIS 6 H HIS 6 -39.689 -12.668 -30.320 45 HA HIS 6 HA HIS 6 -38.439 -10.279 -31.283 46 1HB HIS 6 1HB HIS 6 -40.739 -9.373 -31.340 47 2HB HIS 6 2HB HIS 6 -40.618 -10.937 -32.139 48 HD1 HIS 6 HD1 HIS 6 -42.060 -9.279 -29.101 49 HD2 HIS 6 HD2 HIS 6 -42.080 -12.997 -30.960 50 HE1 HIS 6 HE1 HIS 6 -43.866 -10.599 -27.949 51 HE2 HIS 6 HE2 HIS 6 -43.872 -12.839 -29.101 52 H HIS 7 H HIS 7 -38.523 -8.199 -30.324 53 HA HIS 7 HA HIS 7 -39.390 -7.814 -27.631 54 1HB HIS 7 1HB HIS 7 -37.284 -9.089 -27.260 55 2HB HIS 7 2HB HIS 7 -36.402 -7.830 -28.117 56 HD1 HIS 7 HD1 HIS 7 -38.177 -8.512 -24.885 57 HD2 HIS 7 HD2 HIS 7 -35.908 -5.509 -26.651 58 HE1 HIS 7 HE1 HIS 7 -37.626 -6.907 -23.031 59 HE2 HIS 7 HE2 HIS 7 -36.299 -5.070 -24.132 60 H LYS 8 H LYS 8 -38.174 -6.773 -30.609 61 HA LYS 8 HA LYS 8 -38.068 -4.759 -31.647 62 1HB LYS 8 1HB LYS 8 -39.777 -4.000 -29.285 63 2HB LYS 8 2HB LYS 8 -39.331 -2.837 -30.524 64 1HG LYS 8 1HG LYS 8 -41.493 -3.646 -31.056 65 2HG LYS 8 2HG LYS 8 -40.369 -4.363 -32.212 66 1HD LYS 8 1HD LYS 8 -40.352 -6.436 -30.927 67 2HD LYS 8 2HD LYS 8 -41.438 -5.718 -29.736 68 1HE LYS 8 1HE LYS 8 -42.072 -6.153 -32.652 69 2HE LYS 8 2HE LYS 8 -42.624 -7.171 -31.323 70 1HZ LYS 8 1HZ LYS 8 -43.832 -5.299 -30.418 71 2HZ LYS 8 2HZ LYS 8 -44.310 -5.569 -32.019 72 3HZ LYS 8 3HZ LYS 8 -43.267 -4.289 -31.653 73 H LEU 9 H LEU 9 -36.024 -4.095 -31.733 74 HA LEU 9 HA LEU 9 -34.719 -3.063 -29.334 75 1HB LEU 9 1HB LEU 9 -33.717 -4.716 -31.107 76 2HB LEU 9 2HB LEU 9 -33.405 -3.252 -32.018 77 HG LEU 9 HG LEU 9 -31.445 -4.015 -30.738 78 1HD1 LEU 9 1HD1 LEU 9 -31.804 -1.628 -31.288 79 2HD1 LEU 9 2HD1 LEU 9 -30.832 -1.882 -29.837 80 3HD1 LEU 9 3HD1 LEU 9 -32.524 -1.406 -29.693 81 1HD2 LEU 9 1HD2 LEU 9 -32.622 -5.003 -28.835 82 2HD2 LEU 9 2HD2 LEU 9 -33.127 -3.395 -28.312 83 3HD2 LEU 9 3HD2 LEU 9 -31.417 -3.826 -28.309 84 H LYS 10 H LYS 10 -34.830 -0.968 -28.904 85 HA LYS 10 HA LYS 10 -35.447 0.922 -31.041 86 1HB LYS 10 1HB LYS 10 -36.772 1.040 -28.986 87 2HB LYS 10 2HB LYS 10 -35.311 1.301 -28.043 88 1HG LYS 10 1HG LYS 10 -34.943 3.425 -29.169 89 2HG LYS 10 2HG LYS 10 -36.377 3.158 -30.163 90 1HD LYS 10 1HD LYS 10 -36.414 3.304 -27.150 91 2HD LYS 10 2HD LYS 10 -36.732 4.681 -28.207 92 1HE LYS 10 1HE LYS 10 -38.612 3.472 -29.208 93 2HE LYS 10 2HE LYS 10 -38.294 2.099 -28.150 94 1HZ LYS 10 1HZ LYS 10 -38.760 3.504 -26.243 95 2HZ LYS 10 2HZ LYS 10 -40.081 3.483 -27.299 96 3HZ LYS 10 3HZ LYS 10 -39.057 4.828 -27.256 97 H THR 11 H THR 11 -33.810 1.805 -32.100 98 HA THR 11 HA THR 11 -31.222 2.124 -30.774 99 HB THR 11 HB THR 11 -31.920 2.527 -33.689 100 HG1 THR 11 HG1 THR 11 -32.132 0.366 -33.291 101 1HG2 THR 11 1HG2 THR 11 -29.486 2.377 -34.031 102 2HG2 THR 11 2HG2 THR 11 -29.257 2.291 -32.284 103 3HG2 THR 11 3HG2 THR 11 -29.922 3.752 -33.015 104 H GLU 12 H GLU 12 -30.493 4.037 -30.100 105 HA GLU 12 HA GLU 12 -31.970 6.446 -30.925 106 1HB GLU 12 1HB GLU 12 -30.364 5.937 -28.414 107 2HB GLU 12 2HB GLU 12 -31.163 7.452 -28.813 108 1HG GLU 12 1HG GLU 12 -33.329 6.265 -28.817 109 2HG GLU 12 2HG GLU 12 -32.493 4.800 -28.304 110 H GLN 13 H GLN 13 -30.468 8.484 -30.507 111 HA GLN 13 HA GLN 13 -28.491 8.426 -32.507 112 1HB GLN 13 1HB GLN 13 -27.923 10.704 -31.719 113 2HB GLN 13 2HB GLN 13 -29.649 10.479 -31.968 114 1HG GLN 13 1HG GLN 13 -29.903 10.108 -29.534 115 2HG GLN 13 2HG GLN 13 -28.192 10.483 -29.338 116 1HE2 GLN 13 1HE2 GLN 13 -31.342 11.743 -30.070 117 2HE2 GLN 13 2HE2 GLN 13 -30.936 13.415 -29.916 118 H GLY 14 H GLY 14 -26.200 8.879 -32.285 119 1HA GLY 14 1HA GLY 14 -24.113 8.644 -31.324 120 2HA GLY 14 2HA GLY 14 -24.896 8.485 -29.759 121 H GLY 15 H GLY 15 -23.049 6.874 -29.607 122 1HA GLY 15 1HA GLY 15 -24.103 4.267 -29.656 123 2HA GLY 15 2HA GLY 15 -23.056 4.469 -31.053 124 H ALA 16 H ALA 16 -22.661 5.864 -27.821 125 HA ALA 16 HA ALA 16 -19.932 5.012 -27.711 126 1HB ALA 16 1HB ALA 16 -21.637 6.225 -25.539 127 2HB ALA 16 2HB ALA 16 -20.681 7.128 -26.714 128 3HB ALA 16 3HB ALA 16 -19.879 6.090 -25.536 129 H HIS 17 H HIS 17 -19.302 3.026 -27.219 130 HA HIS 17 HA HIS 17 -20.639 1.605 -25.036 131 1HB HIS 17 1HB HIS 17 -21.576 0.842 -27.249 132 2HB HIS 17 2HB HIS 17 -19.968 0.258 -27.656 133 HD1 HIS 17 HD1 HIS 17 -22.809 -0.393 -25.267 134 HD2 HIS 17 HD2 HIS 17 -19.293 -2.186 -26.566 135 HE1 HIS 17 HE1 HIS 17 -22.849 -2.720 -24.314 136 HE2 HIS 17 HE2 HIS 17 -20.682 -3.766 -25.062 137 H PHE 18 H PHE 18 -17.839 2.566 -26.638 138 HA PHE 18 HA PHE 18 -16.026 0.519 -26.061 139 1HB PHE 18 1HB PHE 18 -15.490 3.494 -26.136 140 2HB PHE 18 2HB PHE 18 -14.283 2.223 -26.291 141 HD1 PHE 18 HD1 PHE 18 -16.741 4.227 -27.987 142 HD2 PHE 18 HD2 PHE 18 -14.344 0.725 -28.291 143 HE1 PHE 18 HE1 PHE 18 -17.088 4.207 -30.422 144 HE2 PHE 18 HE2 PHE 18 -14.685 0.698 -30.727 145 HZ PHE 18 HZ PHE 18 -16.059 2.441 -31.796 146 H SER 19 H SER 19 -14.275 0.578 -24.436 147 HA SER 19 HA SER 19 -15.402 1.015 -21.803 148 1HB SER 19 1HB SER 19 -12.676 -0.077 -22.495 149 2HB SER 19 2HB SER 19 -13.542 -0.236 -20.968 150 HG SER 19 HG SER 19 -14.339 -1.330 -23.462 151 H VAL 20 H VAL 20 -15.219 2.913 -20.830 152 HA VAL 20 HA VAL 20 -12.951 4.650 -21.491 153 HB VAL 20 HB VAL 20 -14.233 6.443 -20.373 154 1HG1 VAL 20 1HG1 VAL 20 -15.853 4.986 -22.460 155 2HG1 VAL 20 2HG1 VAL 20 -14.462 6.016 -22.795 156 3HG1 VAL 20 3HG1 VAL 20 -15.920 6.708 -22.083 157 1HG2 VAL 20 1HG2 VAL 20 -16.562 6.063 -19.734 158 2HG2 VAL 20 2HG2 VAL 20 -15.465 5.069 -18.774 159 3HG2 VAL 20 3HG2 VAL 20 -16.384 4.345 -20.094 160 H SER 21 H SER 21 -11.525 5.400 -19.975 161 HA SER 21 HA SER 21 -11.541 3.983 -17.410 162 1HB SER 21 1HB SER 21 -9.313 5.487 -18.804 163 2HB SER 21 2HB SER 21 -9.155 4.612 -17.281 164 HG SER 21 HG SER 21 -10.253 3.086 -19.251 165 H SER 22 H SER 22 -13.176 6.384 -18.055 166 HA SER 22 HA SER 22 -12.049 8.623 -16.701 167 1HB SER 22 1HB SER 22 -14.275 9.604 -16.873 168 2HB SER 22 2HB SER 22 -13.848 8.829 -18.397 169 HG SER 22 HG SER 22 -15.689 8.011 -16.436 170 H LEU 23 H LEU 23 -13.069 5.709 -15.538 171 HA LEU 23 HA LEU 23 -14.207 6.740 -13.059 172 1HB LEU 23 1HB LEU 23 -13.901 3.994 -14.234 173 2HB LEU 23 2HB LEU 23 -14.284 4.206 -12.537 174 HG LEU 23 HG LEU 23 -16.286 3.774 -13.884 175 1HD1 LEU 23 1HD1 LEU 23 -17.653 5.500 -12.967 176 2HD1 LEU 23 2HD1 LEU 23 -16.280 6.601 -12.853 177 3HD1 LEU 23 3HD1 LEU 23 -16.350 5.171 -11.823 178 1HD2 LEU 23 1HD2 LEU 23 -15.485 4.835 -15.970 179 2HD2 LEU 23 2HD2 LEU 23 -15.704 6.414 -15.217 180 3HD2 LEU 23 3HD2 LEU 23 -17.098 5.371 -15.497 181 H ALA 24 H ALA 24 -11.249 6.777 -14.063 182 HA ALA 24 HA ALA 24 -10.134 6.207 -11.432 183 1HB ALA 24 1HB ALA 24 -8.977 5.002 -13.943 184 2HB ALA 24 2HB ALA 24 -9.818 4.122 -12.666 185 3HB ALA 24 3HB ALA 24 -8.275 4.908 -12.329 186 H GLU 25 H GLU 25 -10.539 8.315 -13.836 187 HA GLU 25 HA GLU 25 -8.243 9.889 -13.032 188 1HB GLU 25 1HB GLU 25 -7.394 8.580 -14.946 189 2HB GLU 25 2HB GLU 25 -8.702 9.206 -15.941 190 1HG GLU 25 1HG GLU 25 -7.825 11.487 -15.595 191 2HG GLU 25 2HG GLU 25 -6.474 10.798 -14.694 192 H GLY 26 H GLY 26 -11.198 9.585 -14.919 193 1HA GLY 26 1HA GLY 26 -11.497 12.488 -15.046 194 2HA GLY 26 2HA GLY 26 -12.519 11.305 -15.844 195 H SER 27 H SER 27 -12.317 10.014 -12.931 196 HA SER 27 HA SER 27 -14.149 11.768 -11.518 197 1HB SER 27 1HB SER 27 -14.968 8.982 -12.373 198 2HB SER 27 2HB SER 27 -15.876 10.014 -11.270 199 HG SER 27 HG SER 27 -15.809 11.573 -13.117 200 H VAL 28 H VAL 28 -13.410 8.294 -11.356 201 HA VAL 28 HA VAL 28 -12.669 6.962 -9.677 202 HB VAL 28 HB VAL 28 -10.653 8.608 -10.244 203 1HG1 VAL 28 1HG1 VAL 28 -11.223 10.298 -8.591 204 2HG1 VAL 28 2HG1 VAL 28 -9.673 9.550 -8.220 205 3HG1 VAL 28 3HG1 VAL 28 -11.112 9.094 -7.309 206 1HG2 VAL 28 1HG2 VAL 28 -10.638 6.667 -7.945 207 2HG2 VAL 28 2HG2 VAL 28 -9.233 7.198 -8.867 208 3HG2 VAL 28 3HG2 VAL 28 -10.492 6.244 -9.651 209 H THR 29 H THR 29 -12.118 6.943 -7.186 210 HA THR 29 HA THR 29 -13.864 8.778 -5.746 211 HB THR 29 HB THR 29 -14.871 6.881 -4.461 212 HG1 THR 29 HG1 THR 29 -13.773 5.315 -6.577 213 1HG2 THR 29 1HG2 THR 29 -16.507 6.273 -6.173 214 2HG2 THR 29 2HG2 THR 29 -15.424 6.875 -7.430 215 3HG2 THR 29 3HG2 THR 29 -16.118 7.991 -6.254 216 H SER 30 H SER 30 -13.308 9.122 -3.611 217 HA SER 30 HA SER 30 -10.608 8.519 -2.906 218 1HB SER 30 1HB SER 30 -11.479 10.639 -2.246 219 2HB SER 30 2HB SER 30 -12.838 9.892 -1.407 220 HG SER 30 HG SER 30 -10.618 10.586 -0.322 221 H VAL 31 H VAL 31 -10.015 7.602 -0.765 222 HA VAL 31 HA VAL 31 -11.199 5.013 -0.457 223 HB VAL 31 HB VAL 31 -9.162 6.313 1.348 224 1HG1 VAL 31 1HG1 VAL 31 -8.492 3.902 1.670 225 2HG1 VAL 31 2HG1 VAL 31 -9.987 3.467 0.838 226 3HG1 VAL 31 3HG1 VAL 31 -10.050 4.363 2.356 227 1HG2 VAL 31 1HG2 VAL 31 -8.425 6.394 -0.996 228 2HG2 VAL 31 2HG2 VAL 31 -8.684 4.654 -1.129 229 3HG2 VAL 31 3HG2 VAL 31 -7.449 5.281 -0.037 230 H GLY 32 H GLY 32 -12.474 4.234 1.171 231 1HA GLY 32 1HA GLY 32 -14.166 6.047 2.529 232 2HA GLY 32 2HA GLY 32 -14.080 4.314 2.812 233 H SER 33 H SER 33 -11.857 3.719 3.934 234 HA SER 33 HA SER 33 -10.728 5.579 5.738 235 1HB SER 33 1HB SER 33 -13.003 5.353 6.762 236 2HB SER 33 2HB SER 33 -12.682 3.634 6.997 237 HG SER 33 HG SER 33 -12.180 5.352 8.737 238 H VAL 34 H VAL 34 -9.817 4.097 7.749 239 HA VAL 34 HA VAL 34 -8.005 2.776 8.179 240 HB VAL 34 HB VAL 34 -8.485 0.387 8.093 241 1HG1 VAL 34 1HG1 VAL 34 -9.461 1.707 9.880 242 2HG1 VAL 34 2HG1 VAL 34 -10.551 0.403 9.413 243 3HG1 VAL 34 3HG1 VAL 34 -10.872 2.052 8.879 244 1HG2 VAL 34 1HG2 VAL 34 -10.927 1.141 6.488 245 2HG2 VAL 34 2HG2 VAL 34 -10.540 -0.467 7.099 246 3HG2 VAL 34 3HG2 VAL 34 -9.515 0.281 5.875 247 H ASN 35 H ASN 35 -7.383 0.248 6.811 248 HA ASN 35 HA ASN 35 -5.312 1.005 5.197 249 1HB ASN 35 1HB ASN 35 -5.859 -1.311 6.104 250 2HB ASN 35 2HB ASN 35 -6.878 -1.518 4.681 251 1HD2 ASN 35 1HD2 ASN 35 -5.638 -3.176 3.861 252 2HD2 ASN 35 2HD2 ASN 35 -4.068 -2.922 3.187 253 HA PRO 36 HA PRO 36 -7.506 2.276 1.503 254 1HB PRO 36 1HB PRO 36 -5.450 3.420 0.229 255 2HB PRO 36 2HB PRO 36 -6.171 4.179 1.655 256 1HG PRO 36 1HG PRO 36 -3.661 2.575 1.422 257 2HG PRO 36 2HG PRO 36 -3.970 4.043 2.362 258 1HD PRO 36 1HD PRO 36 -3.992 1.479 3.393 259 2HD PRO 36 2HD PRO 36 -4.816 2.870 4.126 260 H ALA 37 H ALA 37 -5.050 0.020 1.923 261 HA ALA 37 HA ALA 37 -4.757 -0.728 -0.852 262 1HB ALA 37 1HB ALA 37 -3.256 -2.452 0.007 263 2HB ALA 37 2HB ALA 37 -3.714 -2.033 1.657 264 3HB ALA 37 3HB ALA 37 -2.850 -0.864 0.657 265 H GLU 38 H GLU 38 -6.868 -1.481 1.728 266 HA GLU 38 HA GLU 38 -7.451 -4.162 1.273 267 1HB GLU 38 1HB GLU 38 -9.452 -3.835 2.477 268 2HB GLU 38 2HB GLU 38 -8.303 -2.694 3.156 269 1HG GLU 38 1HG GLU 38 -9.307 -0.880 1.922 270 2HG GLU 38 2HG GLU 38 -10.401 -1.999 1.113 271 H ASN 39 H ASN 39 -8.487 -1.306 -0.489 272 HA ASN 39 HA ASN 39 -10.547 -2.471 -1.997 273 1HB ASN 39 1HB ASN 39 -8.618 -0.229 -2.640 274 2HB ASN 39 2HB ASN 39 -9.938 -0.690 -3.712 275 1HD2 ASN 39 1HD2 ASN 39 -11.740 -1.343 -1.527 276 2HD2 ASN 39 2HD2 ASN 39 -12.249 0.163 -0.856 277 H PHE 40 H PHE 40 -7.122 -1.974 -2.862 278 HA PHE 40 HA PHE 40 -7.050 -3.407 -5.216 279 1HB PHE 40 1HB PHE 40 -4.919 -2.695 -5.007 280 2HB PHE 40 2HB PHE 40 -5.119 -2.455 -3.276 281 HD1 PHE 40 HD1 PHE 40 -4.095 -4.846 -5.877 282 HD2 PHE 40 HD2 PHE 40 -4.323 -4.059 -1.707 283 HE1 PHE 40 HE1 PHE 40 -2.555 -6.711 -5.445 284 HE2 PHE 40 HE2 PHE 40 -2.786 -5.923 -1.267 285 HZ PHE 40 HZ PHE 40 -2.018 -7.347 -3.144 286 H ARG 41 H ARG 41 -6.740 -4.531 -1.890 287 HA ARG 41 HA ARG 41 -6.256 -7.227 -2.389 288 1HB ARG 41 1HB ARG 41 -7.563 -5.813 -0.086 289 2HB ARG 41 2HB ARG 41 -7.312 -7.556 -0.104 290 1HG ARG 41 1HG ARG 41 -4.965 -7.309 -0.130 291 2HG ARG 41 2HG ARG 41 -5.082 -5.586 -0.487 292 1HD ARG 41 1HD ARG 41 -5.887 -5.089 1.668 293 2HD ARG 41 2HD ARG 41 -6.193 -6.794 2.024 294 HE ARG 41 HE ARG 41 -3.449 -6.397 1.496 295 1HH1 ARG 41 1HH1 ARG 41 -5.860 -5.747 3.926 296 2HH1 ARG 41 2HH1 ARG 41 -4.725 -5.748 5.234 297 1HH2 ARG 41 1HH2 ARG 41 -1.951 -6.402 3.211 298 2HH2 ARG 41 2HH2 ARG 41 -2.503 -6.118 4.828 299 H VAL 42 H VAL 42 -9.243 -5.397 -2.186 300 HA VAL 42 HA VAL 42 -11.041 -7.543 -2.218 301 HB VAL 42 HB VAL 42 -11.275 -4.669 -3.070 302 1HG1 VAL 42 1HG1 VAL 42 -13.699 -5.063 -3.449 303 2HG1 VAL 42 2HG1 VAL 42 -13.390 -6.798 -3.379 304 3HG1 VAL 42 3HG1 VAL 42 -12.667 -5.825 -4.660 305 1HG2 VAL 42 1HG2 VAL 42 -12.708 -6.287 -0.969 306 2HG2 VAL 42 2HG2 VAL 42 -12.807 -4.542 -1.208 307 3HG2 VAL 42 3HG2 VAL 42 -11.293 -5.275 -0.676 308 H LEU 43 H LEU 43 -9.631 -5.655 -4.893 309 HA LEU 43 HA LEU 43 -10.967 -7.106 -6.916 310 1HB LEU 43 1HB LEU 43 -8.379 -5.575 -7.071 311 2HB LEU 43 2HB LEU 43 -9.296 -6.153 -8.455 312 HG LEU 43 HG LEU 43 -11.190 -4.730 -7.106 313 1HD1 LEU 43 1HD1 LEU 43 -10.360 -3.102 -5.854 314 2HD1 LEU 43 2HD1 LEU 43 -9.084 -2.738 -7.020 315 3HD1 LEU 43 3HD1 LEU 43 -8.862 -4.036 -5.844 316 1HD2 LEU 43 1HD2 LEU 43 -10.912 -3.059 -8.831 317 2HD2 LEU 43 2HD2 LEU 43 -10.680 -4.671 -9.516 318 3HD2 LEU 43 3HD2 LEU 43 -9.283 -3.645 -9.174 319 H VAL 44 H VAL 44 -7.822 -7.636 -5.343 320 HA VAL 44 HA VAL 44 -7.090 -9.735 -7.129 321 HB VAL 44 HB VAL 44 -5.244 -10.216 -5.727 322 1HG1 VAL 44 1HG1 VAL 44 -5.593 -7.270 -5.327 323 2HG1 VAL 44 2HG1 VAL 44 -5.340 -7.969 -6.925 324 3HG1 VAL 44 3HG1 VAL 44 -4.120 -8.175 -5.668 325 1HG2 VAL 44 1HG2 VAL 44 -6.478 -10.319 -3.598 326 2HG2 VAL 44 2HG2 VAL 44 -6.505 -8.555 -3.555 327 3HG2 VAL 44 3HG2 VAL 44 -4.966 -9.420 -3.478 328 H LYS 45 H LYS 45 -9.039 -9.553 -4.277 329 HA LYS 45 HA LYS 45 -9.056 -12.462 -3.977 330 1HB LYS 45 1HB LYS 45 -10.077 -12.150 -1.875 331 2HB LYS 45 2HB LYS 45 -8.889 -10.861 -1.992 332 1HG LYS 45 1HG LYS 45 -10.650 -9.288 -2.607 333 2HG LYS 45 2HG LYS 45 -11.844 -10.581 -2.502 334 1HD LYS 45 1HD LYS 45 -11.941 -9.347 -0.462 335 2HD LYS 45 2HD LYS 45 -11.167 -10.895 -0.112 336 1HE LYS 45 1HE LYS 45 -8.978 -9.837 -0.183 337 2HE LYS 45 2HE LYS 45 -9.719 -8.294 -0.602 338 1HZ LYS 45 1HZ LYS 45 -9.175 -8.416 1.750 339 2HZ LYS 45 2HZ LYS 45 -10.154 -9.783 1.932 340 3HZ LYS 45 3HZ LYS 45 -10.848 -8.294 1.530 341 H GLN 46 H GLN 46 -10.775 -10.019 -5.541 342 HA GLN 46 HA GLN 46 -13.165 -11.724 -5.763 343 1HB GLN 46 1HB GLN 46 -12.949 -8.735 -6.174 344 2HB GLN 46 2HB GLN 46 -14.416 -9.686 -6.364 345 1HG GLN 46 1HG GLN 46 -12.876 -9.401 -3.801 346 2HG GLN 46 2HG GLN 46 -14.280 -8.433 -4.233 347 1HE2 GLN 46 1HE2 GLN 46 -15.457 -9.159 -2.473 348 2HE2 GLN 46 2HE2 GLN 46 -16.106 -10.759 -2.386 349 H LYS 47 H LYS 47 -14.373 -10.896 -7.946 350 HA LYS 47 HA LYS 47 -12.619 -11.746 -10.082 351 1HB LYS 47 1HB LYS 47 -14.624 -11.809 -11.435 352 2HB LYS 47 2HB LYS 47 -14.967 -12.549 -9.876 353 1HG LYS 47 1HG LYS 47 -16.020 -10.468 -9.127 354 2HG LYS 47 2HG LYS 47 -15.695 -9.743 -10.702 355 1HD LYS 47 1HD LYS 47 -17.894 -10.444 -10.922 356 2HD LYS 47 2HD LYS 47 -16.999 -11.791 -11.627 357 1HE LYS 47 1HE LYS 47 -17.992 -11.676 -8.781 358 2HE LYS 47 2HE LYS 47 -18.814 -12.507 -10.100 359 1HZ LYS 47 1HZ LYS 47 -17.538 -14.082 -8.865 360 2HZ LYS 47 2HZ LYS 47 -16.137 -13.147 -8.992 361 3HZ LYS 47 3HZ LYS 47 -16.793 -13.878 -10.371 362 H LYS 48 H LYS 48 -13.258 -8.875 -8.632 363 HA LYS 48 HA LYS 48 -13.781 -6.964 -10.497 364 1HB LYS 48 1HB LYS 48 -12.768 -7.043 -7.891 365 2HB LYS 48 2HB LYS 48 -11.605 -6.100 -8.810 366 1HG LYS 48 1HG LYS 48 -13.119 -4.545 -7.952 367 2HG LYS 48 2HG LYS 48 -13.585 -4.749 -9.642 368 1HD LYS 48 1HD LYS 48 -15.595 -4.768 -8.393 369 2HD LYS 48 2HD LYS 48 -15.276 -6.447 -8.834 370 1HE LYS 48 1HE LYS 48 -14.385 -6.898 -6.635 371 2HE LYS 48 2HE LYS 48 -14.545 -5.200 -6.187 372 1HZ LYS 48 1HZ LYS 48 -16.785 -7.041 -6.838 373 2HZ LYS 48 2HZ LYS 48 -16.946 -5.409 -6.421 374 3HZ LYS 48 3HZ LYS 48 -16.353 -6.516 -5.288 375 H ALA 49 H ALA 49 -10.408 -7.229 -9.464 376 HA ALA 49 HA ALA 49 -9.570 -7.153 -12.292 377 1HB ALA 49 1HB ALA 49 -8.301 -5.584 -10.060 378 2HB ALA 49 2HB ALA 49 -9.422 -4.917 -11.248 379 3HB ALA 49 3HB ALA 49 -7.861 -5.551 -11.768 380 H SER 50 H SER 50 -7.103 -7.515 -12.404 381 HA SER 50 HA SER 50 -6.532 -9.996 -11.019 382 1HB SER 50 1HB SER 50 -4.449 -9.937 -12.481 383 2HB SER 50 2HB SER 50 -5.988 -10.010 -13.347 384 HG SER 50 HG SER 50 -4.982 -8.392 -14.345 385 H PHE 51 H PHE 51 -4.236 -10.270 -10.156 386 HA PHE 51 HA PHE 51 -3.835 -8.502 -8.023 387 1HB PHE 51 1HB PHE 51 -3.037 -10.896 -8.207 388 2HB PHE 51 2HB PHE 51 -1.716 -10.293 -9.207 389 HD1 PHE 51 HD1 PHE 51 0.176 -9.285 -8.239 390 HD2 PHE 51 HD2 PHE 51 -3.247 -10.125 -5.859 391 HE1 PHE 51 HE1 PHE 51 1.463 -8.768 -6.210 392 HE2 PHE 51 HE2 PHE 51 -1.970 -9.604 -3.827 393 HZ PHE 51 HZ PHE 51 0.391 -8.925 -4.000 394 H GLU 52 H GLU 52 -2.979 -8.206 -11.293 395 HA GLU 52 HA GLU 52 -0.799 -6.374 -10.784 396 1HB GLU 52 1HB GLU 52 -0.288 -6.524 -13.027 397 2HB GLU 52 2HB GLU 52 -1.055 -8.077 -12.738 398 1HG GLU 52 1HG GLU 52 -3.125 -7.267 -13.695 399 2HG GLU 52 2HG GLU 52 -2.408 -5.677 -13.943 400 H GLU 53 H GLU 53 -4.010 -6.133 -12.347 401 HA GLU 53 HA GLU 53 -3.936 -3.318 -12.634 402 1HB GLU 53 1HB GLU 53 -5.507 -4.572 -13.941 403 2HB GLU 53 2HB GLU 53 -6.226 -5.287 -12.509 404 1HG GLU 53 1HG GLU 53 -7.242 -3.251 -11.883 405 2HG GLU 53 2HG GLU 53 -6.307 -2.340 -13.070 406 H ALA 54 H ALA 54 -5.142 -5.457 -10.134 407 HA ALA 54 HA ALA 54 -6.377 -3.535 -8.509 408 1HB ALA 54 1HB ALA 54 -6.174 -5.221 -6.732 409 2HB ALA 54 2HB ALA 54 -5.083 -6.155 -7.762 410 3HB ALA 54 3HB ALA 54 -6.764 -5.913 -8.244 411 H SER 55 H SER 55 -3.101 -4.966 -8.348 412 HA SER 55 HA SER 55 -2.234 -3.337 -6.200 413 1HB SER 55 1HB SER 55 0.013 -4.059 -6.782 414 2HB SER 55 2HB SER 55 -1.084 -5.434 -6.908 415 HG SER 55 HG SER 55 -1.175 -4.986 -9.189 416 H ASN 56 H ASN 56 -2.421 -2.956 -9.637 417 HA ASN 56 HA ASN 56 -0.738 -0.722 -9.921 418 1HB ASN 56 1HB ASN 56 -2.891 -2.010 -11.541 419 2HB ASN 56 2HB ASN 56 -2.466 -0.348 -11.950 420 1HD2 ASN 56 1HD2 ASN 56 -1.614 -0.941 -13.933 421 2HD2 ASN 56 2HD2 ASN 56 -0.110 -1.777 -14.081 422 H GLN 57 H GLN 57 -4.181 -1.045 -9.222 423 HA GLN 57 HA GLN 57 -4.689 1.762 -9.191 424 1HB GLN 57 1HB GLN 57 -6.494 0.142 -9.550 425 2HB GLN 57 2HB GLN 57 -6.230 -0.529 -7.945 426 1HG GLN 57 1HG GLN 57 -6.934 1.537 -6.922 427 2HG GLN 57 2HG GLN 57 -7.091 2.301 -8.502 428 1HE2 GLN 57 1HE2 GLN 57 -8.822 1.755 -9.824 429 2HE2 GLN 57 2HE2 GLN 57 -10.216 0.931 -9.223 430 H LEU 58 H LEU 58 -3.597 -0.609 -6.867 431 HA LEU 58 HA LEU 58 -3.989 0.952 -4.533 432 1HB LEU 58 1HB LEU 58 -3.313 -1.605 -4.894 433 2HB LEU 58 2HB LEU 58 -1.696 -0.959 -4.720 434 HG LEU 58 HG LEU 58 -3.825 -1.323 -2.673 435 1HD1 LEU 58 1HD1 LEU 58 -1.805 -2.752 -2.861 436 2HD1 LEU 58 2HD1 LEU 58 -1.972 -1.954 -1.298 437 3HD1 LEU 58 3HD1 LEU 58 -0.818 -1.338 -2.481 438 1HD2 LEU 58 1HD2 LEU 58 -1.882 0.980 -2.612 439 2HD2 LEU 58 2HD2 LEU 58 -2.748 0.368 -1.203 440 3HD2 LEU 58 3HD2 LEU 58 -3.642 1.066 -2.555 441 H ILE 59 H ILE 59 -1.027 0.322 -6.450 442 HA ILE 59 HA ILE 59 0.552 2.198 -5.041 443 HB ILE 59 HB ILE 59 1.022 1.496 -7.940 444 1HG1 ILE 59 1HG1 ILE 59 2.244 -0.227 -5.857 445 2HG1 ILE 59 2HG1 ILE 59 0.526 -0.478 -6.145 446 1HG2 ILE 59 1HG2 ILE 59 3.367 1.683 -7.282 447 2HG2 ILE 59 2HG2 ILE 59 2.867 2.072 -5.635 448 3HG2 ILE 59 3HG2 ILE 59 2.466 3.166 -6.960 449 1HD1 ILE 59 1HD1 ILE 59 1.885 -1.981 -7.476 450 2HD1 ILE 59 2HD1 ILE 59 2.693 -0.602 -8.225 451 3HD1 ILE 59 3HD1 ILE 59 0.971 -0.873 -8.498 452 H ASN 60 H ASN 60 -1.598 2.405 -7.812 453 HA ASN 60 HA ASN 60 -0.904 4.953 -8.760 454 1HB ASN 60 1HB ASN 60 -3.294 3.199 -8.956 455 2HB ASN 60 2HB ASN 60 -3.503 4.895 -9.370 456 1HD2 ASN 60 1HD2 ASN 60 -3.690 2.563 -11.072 457 2HD2 ASN 60 2HD2 ASN 60 -2.519 2.776 -12.324 458 H HIS 61 H HIS 61 -3.402 3.933 -6.450 459 HA HIS 61 HA HIS 61 -4.346 6.478 -5.774 460 1HB HIS 61 1HB HIS 61 -5.745 5.086 -4.691 461 2HB HIS 61 2HB HIS 61 -4.580 3.767 -4.793 462 HD1 HIS 61 HD1 HIS 61 -2.735 3.750 -2.853 463 HD2 HIS 61 HD2 HIS 61 -6.110 6.066 -2.180 464 HE1 HIS 61 HE1 HIS 61 -2.772 4.175 -0.391 465 HE2 HIS 61 HE2 HIS 61 -4.866 5.513 0.020 466 H ILE 62 H ILE 62 -1.644 4.567 -4.689 467 HA ILE 62 HA ILE 62 -0.781 6.231 -2.584 468 HB ILE 62 HB ILE 62 0.727 4.286 -4.327 469 1HG1 ILE 62 1HG1 ILE 62 -1.076 3.416 -2.831 470 2HG1 ILE 62 2HG1 ILE 62 0.525 2.781 -2.487 471 1HG2 ILE 62 1HG2 ILE 62 1.660 5.760 -1.875 472 2HG2 ILE 62 2HG2 ILE 62 2.310 5.894 -3.511 473 3HG2 ILE 62 3HG2 ILE 62 2.499 4.391 -2.605 474 1HD1 ILE 62 1HD1 ILE 62 -0.751 3.304 -0.462 475 2HD1 ILE 62 2HD1 ILE 62 -0.822 4.996 -0.961 476 3HD1 ILE 62 3HD1 ILE 62 0.733 4.252 -0.582 477 H GLU 63 H GLU 63 -0.320 6.302 -6.063 478 HA GLU 63 HA GLU 63 1.769 8.228 -6.063 479 1HB GLU 63 1HB GLU 63 -0.240 7.450 -8.182 480 2HB GLU 63 2HB GLU 63 1.047 8.615 -8.454 481 1HG GLU 63 1HG GLU 63 2.703 6.887 -7.914 482 2HG GLU 63 2HG GLU 63 1.401 5.723 -7.700 483 H GLN 64 H GLN 64 -1.756 8.389 -6.192 484 HA GLN 64 HA GLN 64 -2.062 11.143 -6.571 485 1HB GLN 64 1HB GLN 64 -3.902 9.400 -6.540 486 2HB GLN 64 2HB GLN 64 -3.781 9.398 -4.787 487 1HG GLN 64 1HG GLN 64 -4.355 11.896 -6.343 488 2HG GLN 64 2HG GLN 64 -5.625 10.789 -5.828 489 1HE2 GLN 64 1HE2 GLN 64 -6.024 10.526 -3.606 490 2HE2 GLN 64 2HE2 GLN 64 -5.528 11.717 -2.457 491 H PHE 65 H PHE 65 -1.895 9.256 -3.554 492 HA PHE 65 HA PHE 65 -1.808 11.408 -1.784 493 1HB PHE 65 1HB PHE 65 -1.805 9.642 -0.382 494 2HB PHE 65 2HB PHE 65 -1.238 8.564 -1.655 495 HD1 PHE 65 HD1 PHE 65 0.771 7.540 -1.370 496 HD2 PHE 65 HD2 PHE 65 0.077 11.272 0.550 497 HE1 PHE 65 HE1 PHE 65 3.000 7.433 -0.360 498 HE2 PHE 65 HE2 PHE 65 2.312 11.163 1.570 499 HZ PHE 65 HZ PHE 65 3.774 9.247 1.104 500 H LEU 66 H LEU 66 0.875 9.636 -3.330 501 HA LEU 66 HA LEU 66 2.949 11.166 -2.291 502 1HB LEU 66 1HB LEU 66 2.689 9.492 -4.767 503 2HB LEU 66 2HB LEU 66 4.155 10.425 -4.475 504 HG LEU 66 HG LEU 66 3.031 8.329 -2.604 505 1HD1 LEU 66 1HD1 LEU 66 5.457 8.148 -4.370 506 2HD1 LEU 66 2HD1 LEU 66 3.891 7.434 -4.756 507 3HD1 LEU 66 3HD1 LEU 66 4.784 6.887 -3.337 508 1HD2 LEU 66 1HD2 LEU 66 4.359 10.179 -1.546 509 2HD2 LEU 66 2HD2 LEU 66 5.731 9.668 -2.531 510 3HD2 LEU 66 3HD2 LEU 66 5.042 8.564 -1.339 511 H ASP 67 H ASP 67 0.597 11.932 -4.659 512 HA ASP 67 HA ASP 67 2.069 14.055 -5.893 513 1HB ASP 67 1HB ASP 67 0.083 12.960 -6.972 514 2HB ASP 67 2HB ASP 67 -0.938 13.721 -5.758 515 H THR 68 H THR 68 -0.244 13.719 -3.236 516 HA THR 68 HA THR 68 -0.377 16.477 -2.580 517 HB THR 68 HB THR 68 -1.862 14.504 -1.686 518 HG1 THR 68 HG1 THR 68 -2.366 15.861 0.138 519 1HG2 THR 68 1HG2 THR 68 -0.506 14.637 0.868 520 2HG2 THR 68 2HG2 THR 68 0.490 13.853 -0.355 521 3HG2 THR 68 3HG2 THR 68 -1.123 13.234 -0.002 522 H ASN 69 H ASN 69 0.337 16.981 -0.083 523 HA ASN 69 HA ASN 69 3.245 16.501 -0.042 524 1HB ASN 69 1HB ASN 69 1.594 18.892 0.733 525 2HB ASN 69 2HB ASN 69 3.252 18.692 1.307 526 1HD2 ASN 69 1HD2 ASN 69 4.948 18.785 -0.178 527 2HD2 ASN 69 2HD2 ASN 69 4.749 19.478 -1.749 528 H GLU 70 H GLU 70 0.558 15.486 1.431 529 HA GLU 70 HA GLU 70 1.305 15.727 4.200 530 1HB GLU 70 1HB GLU 70 -0.707 13.771 3.124 531 2HB GLU 70 2HB GLU 70 -0.701 14.599 4.674 532 1HG GLU 70 1HG GLU 70 -0.948 16.195 2.172 533 2HG GLU 70 2HG GLU 70 -2.349 15.314 2.778 534 H THR 71 H THR 71 2.140 14.108 5.550 535 HA THR 71 HA THR 71 3.278 11.813 4.118 536 HB THR 71 HB THR 71 4.877 11.595 6.024 537 HG1 THR 71 HG1 THR 71 3.345 13.370 7.156 538 1HG2 THR 71 1HG2 THR 71 5.517 12.595 3.889 539 2HG2 THR 71 2HG2 THR 71 6.330 13.408 5.227 540 3HG2 THR 71 3HG2 THR 71 4.950 14.172 4.439 541 HA PRO 72 HA PRO 72 1.069 10.242 8.297 542 1HB PRO 72 1HB PRO 72 -1.542 10.884 7.013 543 2HB PRO 72 2HB PRO 72 -1.119 10.833 8.727 544 1HG PRO 72 1HG PRO 72 -1.429 13.145 7.439 545 2HG PRO 72 2HG PRO 72 -0.203 12.934 8.703 546 1HD PRO 72 1HD PRO 72 0.128 13.122 5.759 547 2HD PRO 72 2HD PRO 72 1.238 13.608 7.055 548 H TYR 73 H TYR 73 0.308 10.535 4.968 549 HA TYR 73 HA TYR 73 -0.614 7.820 4.619 550 1HB TYR 73 1HB TYR 73 -0.170 9.973 2.548 551 2HB TYR 73 2HB TYR 73 -1.156 8.526 2.371 552 HD1 TYR 73 HD1 TYR 73 -1.880 11.552 2.045 553 HD2 TYR 73 HD2 TYR 73 -2.438 8.743 5.188 554 HE1 TYR 73 HE1 TYR 73 -3.839 12.820 2.821 555 HE2 TYR 73 HE2 TYR 73 -4.401 9.998 5.970 556 HH TYR 73 HH TYR 73 -5.312 12.259 5.838 557 H PHE 74 H PHE 74 2.432 9.466 4.443 558 HA PHE 74 HA PHE 74 3.523 7.840 2.381 559 1HB PHE 74 1HB PHE 74 5.445 9.045 2.508 560 2HB PHE 74 2HB PHE 74 4.313 10.181 3.191 561 HD1 PHE 74 HD1 PHE 74 7.423 10.113 3.440 562 HD2 PHE 74 HD2 PHE 74 4.257 8.758 5.927 563 HE1 PHE 74 HE1 PHE 74 8.878 10.330 5.410 564 HE2 PHE 74 HE2 PHE 74 5.703 8.980 7.899 565 HZ PHE 74 HZ PHE 74 8.175 10.029 7.479 566 H MET 75 H MET 75 3.578 7.560 5.895 567 HA MET 75 HA MET 75 5.219 5.190 5.765 568 1HB MET 75 1HB MET 75 3.893 5.078 8.201 569 2HB MET 75 2HB MET 75 5.466 5.809 7.921 570 1HG MET 75 1HG MET 75 4.683 7.910 8.032 571 2HG MET 75 2HG MET 75 3.077 7.497 7.451 572 1HE MET 75 1HE MET 75 2.296 5.054 9.413 573 2HE MET 75 2HE MET 75 1.231 6.369 8.917 574 3HE MET 75 3HE MET 75 1.404 5.973 10.625 575 H LYS 76 H LYS 76 1.881 6.104 5.830 576 HA LYS 76 HA LYS 76 0.764 3.509 6.067 577 1HB LYS 76 1HB LYS 76 -0.530 5.539 6.538 578 2HB LYS 76 2HB LYS 76 -0.356 6.048 4.867 579 1HG LYS 76 1HG LYS 76 -1.474 3.495 4.744 580 2HG LYS 76 2HG LYS 76 -2.309 4.321 6.061 581 1HD LYS 76 1HD LYS 76 -3.435 4.666 3.911 582 2HD LYS 76 2HD LYS 76 -2.838 6.181 4.588 583 1HE LYS 76 1HE LYS 76 -0.989 6.213 3.093 584 2HE LYS 76 2HE LYS 76 -1.319 4.568 2.547 585 1HZ LYS 76 1HZ LYS 76 -3.391 5.357 1.571 586 2HZ LYS 76 2HZ LYS 76 -2.070 6.196 0.933 587 3HZ LYS 76 3HZ LYS 76 -3.060 6.934 2.088 588 H SER 77 H SER 77 2.166 5.396 3.533 589 HA SER 77 HA SER 77 1.145 3.937 1.307 590 1HB SER 77 1HB SER 77 2.564 5.211 0.002 591 2HB SER 77 2HB SER 77 2.540 6.231 1.441 592 HG SER 77 HG SER 77 4.508 4.349 0.678 593 H ILE 78 H ILE 78 4.120 3.855 3.231 594 HA ILE 78 HA ILE 78 5.322 1.646 2.047 595 HB ILE 78 HB ILE 78 5.850 3.210 4.302 596 1HG1 ILE 78 1HG1 ILE 78 7.971 1.904 4.370 597 2HG1 ILE 78 2HG1 ILE 78 7.257 0.756 3.240 598 1HG2 ILE 78 1HG2 ILE 78 6.236 1.705 6.133 599 2HG2 ILE 78 2HG2 ILE 78 5.676 0.329 5.180 600 3HG2 ILE 78 3HG2 ILE 78 4.540 1.591 5.658 601 1HD1 ILE 78 1HD1 ILE 78 8.780 2.666 2.381 602 2HD1 ILE 78 2HD1 ILE 78 7.319 3.647 2.553 603 3HD1 ILE 78 3HD1 ILE 78 7.318 2.231 1.493 604 H ASP 79 H ASP 79 2.763 1.914 4.424 605 HA ASP 79 HA ASP 79 2.525 -0.808 5.070 606 1HB ASP 79 1HB ASP 79 0.802 1.596 5.334 607 2HB ASP 79 2HB ASP 79 0.020 0.032 5.497 608 H CYS 80 H CYS 80 0.965 1.148 2.533 609 HA CYS 80 HA CYS 80 -0.761 -0.836 1.553 610 1HB CYS 80 1HB CYS 80 -1.131 0.553 -0.241 611 2HB CYS 80 2HB CYS 80 -0.374 1.716 0.843 612 HG CYS 80 HG CYS 80 2.236 0.916 -0.400 613 H ILE 81 H ILE 81 2.585 -0.023 0.822 614 HA ILE 81 HA ILE 81 3.079 -1.896 -1.163 615 HB ILE 81 HB ILE 81 4.830 -0.589 0.898 616 1HG1 ILE 81 1HG1 ILE 81 5.814 -0.377 -1.761 617 2HG1 ILE 81 2HG1 ILE 81 4.077 -0.083 -1.813 618 1HG2 ILE 81 1HG2 ILE 81 5.575 -2.901 -0.852 619 2HG2 ILE 81 2HG2 ILE 81 5.884 -2.661 0.868 620 3HG2 ILE 81 3HG2 ILE 81 6.771 -1.719 -0.328 621 1HD1 ILE 81 1HD1 ILE 81 4.272 1.701 -0.240 622 2HD1 ILE 81 2HD1 ILE 81 5.467 1.953 -1.514 623 3HD1 ILE 81 3HD1 ILE 81 5.969 1.321 0.055 624 H ARG 82 H ARG 82 3.266 -2.030 2.328 625 HA ARG 82 HA ARG 82 4.113 -4.682 2.658 626 1HB ARG 82 1HB ARG 82 2.917 -2.552 4.308 627 2HB ARG 82 2HB ARG 82 2.580 -4.182 4.873 628 1HG ARG 82 1HG ARG 82 4.479 -3.602 6.032 629 2HG ARG 82 2HG ARG 82 5.128 -4.520 4.673 630 1HD ARG 82 1HD ARG 82 5.672 -2.450 3.516 631 2HD ARG 82 2HD ARG 82 4.957 -1.509 4.820 632 HE ARG 82 HE ARG 82 6.955 -1.670 5.881 633 1HH1 ARG 82 1HH1 ARG 82 6.610 -4.484 3.846 634 2HH1 ARG 82 2HH1 ARG 82 8.128 -5.168 4.320 635 1HH2 ARG 82 1HH2 ARG 82 8.950 -2.567 6.506 636 2HH2 ARG 82 2HH2 ARG 82 9.458 -4.078 5.830 637 H ALA 83 H ALA 83 1.049 -3.248 1.909 638 HA ALA 83 HA ALA 83 -0.663 -5.353 2.704 639 1HB ALA 83 1HB ALA 83 -1.311 -2.974 2.133 640 2HB ALA 83 2HB ALA 83 -2.361 -4.246 1.508 641 3HB ALA 83 3HB ALA 83 -1.202 -3.458 0.439 642 H PHE 84 H PHE 84 0.371 -4.409 -0.595 643 HA PHE 84 HA PHE 84 -0.570 -6.912 -1.625 644 1HB PHE 84 1HB PHE 84 0.450 -6.199 -3.779 645 2HB PHE 84 2HB PHE 84 -0.702 -5.064 -3.109 646 HD1 PHE 84 HD1 PHE 84 2.899 -5.598 -2.462 647 HD2 PHE 84 HD2 PHE 84 -0.119 -2.938 -3.830 648 HE1 PHE 84 HE1 PHE 84 4.574 -3.816 -2.661 649 HE2 PHE 84 HE2 PHE 84 1.551 -1.153 -4.038 650 HZ PHE 84 HZ PHE 84 3.792 -1.509 -3.597 651 H ARG 85 H ARG 85 2.235 -5.955 -0.080 652 HA ARG 85 HA ARG 85 4.215 -7.497 -1.290 653 1HB ARG 85 1HB ARG 85 4.276 -5.766 0.677 654 2HB ARG 85 2HB ARG 85 4.075 -7.187 1.684 655 1HG ARG 85 1HG ARG 85 6.150 -8.009 1.171 656 2HG ARG 85 2HG ARG 85 6.232 -7.141 -0.366 657 1HD ARG 85 1HD ARG 85 6.600 -5.065 0.732 658 2HD ARG 85 2HD ARG 85 6.234 -5.765 2.308 659 HE ARG 85 HE ARG 85 8.313 -7.172 1.875 660 1HH1 ARG 85 1HH1 ARG 85 7.891 -3.944 0.632 661 2HH1 ARG 85 2HH1 ARG 85 9.589 -3.604 0.583 662 1HH2 ARG 85 1HH2 ARG 85 10.546 -6.733 1.814 663 2HH2 ARG 85 2HH2 ARG 85 11.098 -5.189 1.255 664 H GLU 86 H GLU 86 2.414 -8.309 1.677 665 HA GLU 86 HA GLU 86 3.220 -11.015 1.714 666 1HB GLU 86 1HB GLU 86 0.780 -9.791 3.016 667 2HB GLU 86 2HB GLU 86 1.556 -11.303 3.465 668 1HG GLU 86 1HG GLU 86 2.759 -8.554 3.698 669 2HG GLU 86 2HG GLU 86 2.126 -9.534 5.018 670 H GLU 87 H GLU 87 0.588 -9.338 0.176 671 HA GLU 87 HA GLU 87 -1.053 -11.587 -0.332 672 1HB GLU 87 1HB GLU 87 -0.845 -8.901 -1.687 673 2HB GLU 87 2HB GLU 87 -2.041 -10.110 -2.130 674 1HG GLU 87 1HG GLU 87 -1.756 -8.846 0.586 675 2HG GLU 87 2HG GLU 87 -2.954 -8.413 -0.632 676 H ALA 88 H ALA 88 1.490 -9.993 -2.231 677 HA ALA 88 HA ALA 88 1.187 -11.410 -4.601 678 1HB ALA 88 1HB ALA 88 3.723 -10.330 -3.376 679 2HB ALA 88 2HB ALA 88 2.641 -9.489 -4.487 680 3HB ALA 88 3HB ALA 88 3.564 -10.887 -5.042 681 H ILE 89 H ILE 89 2.996 -12.262 -1.679 682 HA ILE 89 HA ILE 89 4.251 -14.553 -2.679 683 HB ILE 89 HB ILE 89 4.260 -13.270 -0.266 684 1HG1 ILE 89 1HG1 ILE 89 6.106 -14.538 -1.248 685 2HG1 ILE 89 2HG1 ILE 89 5.868 -14.984 0.437 686 1HG2 ILE 89 1HG2 ILE 89 3.597 -14.858 1.458 687 2HG2 ILE 89 2HG2 ILE 89 2.974 -15.954 0.222 688 3HG2 ILE 89 3HG2 ILE 89 2.215 -14.382 0.473 689 1HD1 ILE 89 1HD1 ILE 89 6.340 -16.918 -0.971 690 2HD1 ILE 89 2HD1 ILE 89 4.910 -16.563 -1.938 691 3HD1 ILE 89 3HD1 ILE 89 4.738 -17.020 -0.243 692 H LYS 90 H LYS 90 1.037 -14.046 -1.349 693 HA LYS 90 HA LYS 90 0.364 -16.864 -1.523 694 1HB LYS 90 1HB LYS 90 -1.344 -14.480 -0.791 695 2HB LYS 90 2HB LYS 90 -1.828 -16.163 -0.651 696 1HG LYS 90 1HG LYS 90 0.446 -14.878 0.845 697 2HG LYS 90 2HG LYS 90 -1.161 -15.192 1.496 698 1HD LYS 90 1HD LYS 90 0.712 -17.311 0.443 699 2HD LYS 90 2HD LYS 90 0.511 -16.903 2.147 700 1HE LYS 90 1HE LYS 90 -1.853 -17.522 2.015 701 2HE LYS 90 2HE LYS 90 -1.656 -17.919 0.308 702 1HZ LYS 90 1HZ LYS 90 -0.299 -19.269 2.580 703 2HZ LYS 90 2HZ LYS 90 -0.061 -19.635 0.947 704 3HZ LYS 90 3HZ LYS 90 -1.571 -19.903 1.660 705 H PHE 91 H PHE 91 0.246 -14.110 -3.522 706 HA PHE 91 HA PHE 91 -1.830 -15.300 -5.216 707 1HB PHE 91 1HB PHE 91 -0.906 -12.488 -4.806 708 2HB PHE 91 2HB PHE 91 -1.675 -12.939 -6.333 709 HD1 PHE 91 HD1 PHE 91 -3.961 -14.039 -6.227 710 HD2 PHE 91 HD2 PHE 91 -2.207 -12.010 -2.924 711 HE1 PHE 91 HE1 PHE 91 -6.179 -13.814 -5.192 712 HE2 PHE 91 HE2 PHE 91 -4.422 -11.781 -1.884 713 HZ PHE 91 HZ PHE 91 -6.413 -12.684 -3.016 714 H SER 92 H SER 92 1.249 -15.717 -4.970 715 HA SER 92 HA SER 92 3.054 -16.022 -6.345 716 1HB SER 92 1HB SER 92 0.815 -17.064 -8.091 717 2HB SER 92 2HB SER 92 2.526 -17.423 -8.319 718 HG SER 92 HG SER 92 0.942 -18.831 -6.923 719 H GLU 93 H GLU 93 3.542 -13.789 -6.652 720 HA GLU 93 HA GLU 93 3.453 -13.030 -9.440 721 1HB GLU 93 1HB GLU 93 1.910 -11.619 -7.323 722 2HB GLU 93 2HB GLU 93 2.732 -10.628 -8.530 723 1HG GLU 93 1HG GLU 93 0.720 -12.800 -9.084 724 2HG GLU 93 2HG GLU 93 0.424 -11.064 -9.155 725 H GLU 94 H GLU 94 5.669 -13.195 -9.455 726 HA GLU 94 HA GLU 94 7.251 -11.737 -7.520 727 1HB GLU 94 1HB GLU 94 9.186 -12.650 -8.796 728 2HB GLU 94 2HB GLU 94 8.084 -13.887 -8.208 729 1HG GLU 94 1HG GLU 94 7.097 -14.090 -10.415 730 2HG GLU 94 2HG GLU 94 8.144 -12.806 -11.017 731 H GLN 95 H GLN 95 6.610 -11.580 -11.014 732 HA GLN 95 HA GLN 95 8.290 -9.452 -11.649 733 1HB GLN 95 1HB GLN 95 6.974 -9.159 -13.631 734 2HB GLN 95 2HB GLN 95 7.003 -10.881 -13.280 735 1HG GLN 95 1HG GLN 95 4.771 -10.706 -12.277 736 2HG GLN 95 2HG GLN 95 4.742 -8.982 -12.647 737 1HE2 GLN 95 1HE2 GLN 95 6.141 -11.375 -14.773 738 2HE2 GLN 95 2HE2 GLN 95 4.950 -11.251 -16.017 739 H ARG 96 H ARG 96 4.959 -9.461 -10.519 740 HA ARG 96 HA ARG 96 4.384 -6.762 -10.660 741 1HB ARG 96 1HB ARG 96 2.986 -8.877 -9.904 742 2HB ARG 96 2HB ARG 96 3.443 -8.304 -8.303 743 1HG ARG 96 1HG ARG 96 2.476 -6.185 -10.041 744 2HG ARG 96 2HG ARG 96 1.288 -7.459 -9.759 745 1HD ARG 96 1HD ARG 96 1.491 -5.424 -8.139 746 2HD ARG 96 2HD ARG 96 1.168 -7.030 -7.532 747 HE ARG 96 HE ARG 96 3.932 -6.161 -7.588 748 1HH1 ARG 96 1HH1 ARG 96 1.041 -6.709 -5.747 749 2HH1 ARG 96 2HH1 ARG 96 1.878 -6.901 -4.243 750 1HH2 ARG 96 1HH2 ARG 96 5.048 -6.436 -5.608 751 2HH2 ARG 96 2HH2 ARG 96 4.144 -6.739 -4.164 752 H PHE 97 H PHE 97 6.249 -8.548 -8.307 753 HA PHE 97 HA PHE 97 6.342 -6.547 -6.349 754 1HB PHE 97 1HB PHE 97 7.022 -9.047 -6.203 755 2HB PHE 97 2HB PHE 97 8.588 -8.500 -6.791 756 HD1 PHE 97 HD1 PHE 97 9.602 -6.463 -5.457 757 HD2 PHE 97 HD2 PHE 97 6.680 -9.157 -3.936 758 HE1 PHE 97 HE1 PHE 97 10.258 -5.873 -3.161 759 HE2 PHE 97 HE2 PHE 97 7.330 -8.571 -1.637 760 HZ PHE 97 HZ PHE 97 9.125 -6.944 -1.243 761 H ASN 98 H ASN 98 8.885 -7.473 -8.708 762 HA ASN 98 HA ASN 98 10.498 -5.220 -8.132 763 1HB ASN 98 1HB ASN 98 11.658 -5.775 -10.269 764 2HB ASN 98 2HB ASN 98 11.481 -7.159 -9.196 765 1HD2 ASN 98 1HD2 ASN 98 10.366 -5.647 -12.132 766 2HD2 ASN 98 2HD2 ASN 98 9.617 -7.051 -12.803 767 H ASN 99 H ASN 99 7.642 -5.603 -9.971 768 HA ASN 99 HA ASN 99 8.096 -3.373 -11.704 769 1HB ASN 99 1HB ASN 99 6.486 -5.380 -12.054 770 2HB ASN 99 2HB ASN 99 5.374 -4.476 -11.027 771 1HD2 ASN 99 1HD2 ASN 99 6.245 -1.881 -12.018 772 2HD2 ASN 99 2HD2 ASN 99 5.589 -1.726 -13.607 773 H PHE 100 H PHE 100 6.056 -3.859 -8.795 774 HA PHE 100 HA PHE 100 5.188 -1.158 -8.728 775 1HB PHE 100 1HB PHE 100 4.105 -1.689 -6.749 776 2HB PHE 100 2HB PHE 100 4.286 -3.294 -7.448 777 HD1 PHE 100 HD1 PHE 100 5.516 -4.963 -6.333 778 HD2 PHE 100 HD2 PHE 100 5.738 -0.942 -4.995 779 HE1 PHE 100 HE1 PHE 100 6.676 -5.717 -4.300 780 HE2 PHE 100 HE2 PHE 100 6.903 -1.681 -2.958 781 HZ PHE 100 HZ PHE 100 7.440 -4.064 -2.643 782 H LEU 101 H LEU 101 7.944 -2.843 -7.406 783 HA LEU 101 HA LEU 101 8.755 -0.712 -5.708 784 1HB LEU 101 1HB LEU 101 9.364 -3.183 -5.564 785 2HB LEU 101 2HB LEU 101 10.512 -2.872 -6.846 786 HG LEU 101 HG LEU 101 12.039 -2.041 -5.426 787 1HD1 LEU 101 1HD1 LEU 101 9.941 -0.670 -3.743 788 2HD1 LEU 101 2HD1 LEU 101 10.655 0.056 -5.181 789 3HD1 LEU 101 3HD1 LEU 101 11.672 -0.341 -3.802 790 1HD2 LEU 101 1HD2 LEU 101 10.078 -3.539 -3.793 791 2HD2 LEU 101 2HD2 LEU 101 11.290 -2.612 -2.915 792 3HD2 LEU 101 3HD2 LEU 101 11.793 -3.841 -4.073 793 H LYS 102 H LYS 102 9.919 -1.827 -8.903 794 HA LYS 102 HA LYS 102 11.788 0.333 -8.967 795 1HB LYS 102 1HB LYS 102 10.873 -1.462 -11.225 796 2HB LYS 102 2HB LYS 102 12.255 -0.380 -11.274 797 1HG LYS 102 1HG LYS 102 11.920 -2.913 -9.710 798 2HG LYS 102 2HG LYS 102 13.158 -2.501 -10.892 799 1HD LYS 102 1HD LYS 102 12.852 -1.388 -8.103 800 2HD LYS 102 2HD LYS 102 14.125 -2.458 -8.687 801 1HE LYS 102 1HE LYS 102 14.666 -0.589 -10.354 802 2HE LYS 102 2HE LYS 102 13.654 0.434 -9.333 803 1HZ LYS 102 1HZ LYS 102 16.016 -1.088 -8.372 804 2HZ LYS 102 2HZ LYS 102 15.090 0.009 -7.477 805 3HZ LYS 102 3HZ LYS 102 16.031 0.555 -8.772 806 H ALA 103 H ALA 103 8.456 -0.012 -9.729 807 HA ALA 103 HA ALA 103 8.433 2.226 -11.564 808 1HB ALA 103 1HB ALA 103 6.122 0.757 -10.299 809 2HB ALA 103 2HB ALA 103 6.830 0.404 -11.875 810 3HB ALA 103 3HB ALA 103 6.011 1.942 -11.601 811 H LEU 104 H LEU 104 7.455 1.589 -8.200 812 HA LEU 104 HA LEU 104 6.429 4.200 -7.801 813 1HB LEU 104 1HB LEU 104 6.389 3.712 -5.465 814 2HB LEU 104 2HB LEU 104 5.922 2.255 -6.316 815 HG LEU 104 HG LEU 104 8.456 1.621 -6.019 816 1HD1 LEU 104 1HD1 LEU 104 9.035 3.850 -5.070 817 2HD1 LEU 104 2HD1 LEU 104 9.479 2.482 -4.054 818 3HD1 LEU 104 3HD1 LEU 104 8.054 3.441 -3.666 819 1HD2 LEU 104 1HD2 LEU 104 6.675 1.557 -3.604 820 2HD2 LEU 104 2HD2 LEU 104 7.877 0.368 -4.111 821 3HD2 LEU 104 3HD2 LEU 104 6.385 0.564 -5.031 822 H GLN 105 H GLN 105 9.598 2.696 -7.358 823 HA GLN 105 HA GLN 105 10.796 4.984 -6.193 824 1HB GLN 105 1HB GLN 105 12.077 3.215 -5.700 825 2HB GLN 105 2HB GLN 105 11.728 2.378 -7.210 826 1HG GLN 105 1HG GLN 105 14.050 2.911 -7.153 827 2HG GLN 105 2HG GLN 105 13.279 3.945 -8.356 828 1HE2 GLN 105 1HE2 GLN 105 12.952 4.497 -4.932 829 2HE2 GLN 105 2HE2 GLN 105 13.907 5.935 -4.871 830 H GLU 106 H GLU 106 10.935 3.670 -9.536 831 HA GLU 106 HA GLU 106 12.503 5.697 -10.607 832 1HB GLU 106 1HB GLU 106 11.680 5.102 -12.756 833 2HB GLU 106 2HB GLU 106 11.683 3.617 -11.814 834 1HG GLU 106 1HG GLU 106 9.320 3.800 -11.443 835 2HG GLU 106 2HG GLU 106 9.277 5.357 -12.270 836 H LYS 107 H LYS 107 9.114 5.618 -9.725 837 HA LYS 107 HA LYS 107 8.388 8.066 -10.946 838 1HB LYS 107 1HB LYS 107 6.777 6.343 -10.135 839 2HB LYS 107 2HB LYS 107 7.190 6.771 -8.484 840 1HG LYS 107 1HG LYS 107 6.181 8.857 -10.371 841 2HG LYS 107 2HG LYS 107 5.059 7.755 -9.575 842 1HD LYS 107 1HD LYS 107 7.018 9.603 -8.209 843 2HD LYS 107 2HD LYS 107 5.272 9.828 -8.315 844 1HE LYS 107 1HE LYS 107 6.711 7.581 -6.907 845 2HE LYS 107 2HE LYS 107 5.875 8.933 -6.143 846 1HZ LYS 107 1HZ LYS 107 4.554 6.933 -7.894 847 2HZ LYS 107 2HZ LYS 107 3.799 8.143 -6.985 848 3HZ LYS 107 3HZ LYS 107 4.568 6.856 -6.204 849 H VAL 108 H VAL 108 9.523 7.245 -7.645 850 HA VAL 108 HA VAL 108 9.428 9.879 -6.637 851 HB VAL 108 HB VAL 108 10.477 9.131 -4.753 852 1HG1 VAL 108 1HG1 VAL 108 8.655 7.554 -5.318 853 2HG1 VAL 108 2HG1 VAL 108 9.881 6.911 -4.225 854 3HG1 VAL 108 3HG1 VAL 108 9.883 6.446 -5.926 855 1HG2 VAL 108 1HG2 VAL 108 12.683 8.848 -5.383 856 2HG2 VAL 108 2HG2 VAL 108 12.290 7.598 -6.562 857 3HG2 VAL 108 3HG2 VAL 108 12.223 7.233 -4.839 858 H GLU 109 H GLU 109 11.567 8.288 -8.794 859 HA GLU 109 HA GLU 109 13.807 10.036 -8.515 860 1HB GLU 109 1HB GLU 109 14.142 7.832 -9.444 861 2HB GLU 109 2HB GLU 109 12.966 8.143 -10.715 862 1HG GLU 109 1HG GLU 109 14.394 9.667 -11.801 863 2HG GLU 109 2HG GLU 109 15.505 9.714 -10.433 864 H ILE 110 H ILE 110 11.305 9.689 -11.017 865 HA ILE 110 HA ILE 110 11.950 11.897 -12.565 866 HB ILE 110 HB ILE 110 9.424 10.387 -12.088 867 1HG1 ILE 110 1HG1 ILE 110 9.654 9.815 -14.434 868 2HG1 ILE 110 2HG1 ILE 110 10.989 10.945 -14.612 869 1HG2 ILE 110 1HG2 ILE 110 8.576 12.610 -12.309 870 2HG2 ILE 110 2HG2 ILE 110 8.302 11.767 -13.834 871 3HG2 ILE 110 3HG2 ILE 110 9.624 12.925 -13.690 872 1HD1 ILE 110 1HD1 ILE 110 11.887 8.758 -14.514 873 2HD1 ILE 110 2HD1 ILE 110 10.948 8.370 -13.074 874 3HD1 ILE 110 3HD1 ILE 110 12.261 9.543 -12.979 875 H LYS 111 H LYS 111 9.682 11.668 -9.848 876 HA LYS 111 HA LYS 111 9.528 14.597 -9.739 877 1HB LYS 111 1HB LYS 111 7.755 12.374 -8.845 878 2HB LYS 111 2HB LYS 111 7.728 13.861 -7.910 879 1HG LYS 111 1HG LYS 111 7.436 14.954 -10.287 880 2HG LYS 111 2HG LYS 111 6.822 13.348 -10.689 881 1HD LYS 111 1HD LYS 111 5.839 15.021 -8.379 882 2HD LYS 111 2HD LYS 111 5.058 14.953 -9.963 883 1HE LYS 111 1HE LYS 111 4.808 12.493 -9.662 884 2HE LYS 111 2HE LYS 111 5.447 12.669 -8.028 885 1HZ LYS 111 1HZ LYS 111 3.591 14.118 -7.494 886 2HZ LYS 111 2HZ LYS 111 3.031 12.619 -8.040 887 3HZ LYS 111 3HZ LYS 111 2.982 13.963 -9.064 888 H GLN 112 H GLN 112 8.723 14.692 -7.001 889 HA GLN 112 HA GLN 112 11.327 14.439 -5.737 890 1HB GLN 112 1HB GLN 112 8.801 15.914 -5.057 891 2HB GLN 112 2HB GLN 112 10.076 15.710 -3.863 892 1HG GLN 112 1HG GLN 112 10.300 17.854 -4.905 893 2HG GLN 112 2HG GLN 112 11.648 16.829 -5.393 894 1HE2 GLN 112 1HE2 GLN 112 12.048 18.039 -7.233 895 2HE2 GLN 112 2HE2 GLN 112 11.011 17.995 -8.615 896 H LEU 113 H LEU 113 9.257 14.466 -3.241 897 HA LEU 113 HA LEU 113 8.432 12.927 -1.783 898 1HB LEU 113 1HB LEU 113 8.390 11.254 -4.276 899 2HB LEU 113 2HB LEU 113 7.780 10.690 -2.734 900 HG LEU 113 HG LEU 113 6.026 11.501 -4.231 901 1HD1 LEU 113 1HD1 LEU 113 6.177 13.404 -1.932 902 2HD1 LEU 113 2HD1 LEU 113 6.021 11.670 -1.655 903 3HD1 LEU 113 3HD1 LEU 113 4.778 12.533 -2.561 904 1HD2 LEU 113 1HD2 LEU 113 7.313 13.275 -5.352 905 2HD2 LEU 113 2HD2 LEU 113 7.229 14.228 -3.869 906 3HD2 LEU 113 3HD2 LEU 113 5.752 13.832 -4.746 907 H ASN 114 H ASN 114 11.371 13.160 -2.444 908 HA ASN 114 HA ASN 114 12.632 10.685 -2.297 909 1HB ASN 114 1HB ASN 114 13.617 13.231 -0.997 910 2HB ASN 114 2HB ASN 114 14.588 11.863 -1.533 911 1HD2 ASN 114 1HD2 ASN 114 12.783 14.658 -2.515 912 2HD2 ASN 114 2HD2 ASN 114 13.360 14.710 -4.142 913 H HIS 115 H HIS 115 11.189 12.661 0.232 914 HA HIS 115 HA HIS 115 12.230 11.412 2.493 915 1HB HIS 115 1HB HIS 115 9.433 12.499 2.105 916 2HB HIS 115 2HB HIS 115 10.196 12.166 3.655 917 HD1 HIS 115 HD1 HIS 115 11.839 13.890 4.557 918 HD2 HIS 115 HD2 HIS 115 10.430 14.787 0.753 919 HE1 HIS 115 HE1 HIS 115 12.577 16.252 4.106 920 HE2 HIS 115 HE2 HIS 115 11.666 16.792 1.821 921 H PHE 116 H PHE 116 9.353 10.557 0.573 922 HA PHE 116 HA PHE 116 8.534 8.343 2.042 923 1HB PHE 116 1HB PHE 116 7.050 8.948 0.349 924 2HB PHE 116 2HB PHE 116 8.325 9.092 -0.849 925 HD1 PHE 116 HD1 PHE 116 6.972 6.421 1.370 926 HD2 PHE 116 HD2 PHE 116 8.235 7.538 -2.538 927 HE1 PHE 116 HE1 PHE 116 6.441 4.163 0.557 928 HE2 PHE 116 HE2 PHE 116 7.703 5.280 -3.358 929 HZ PHE 116 HZ PHE 116 6.807 3.605 -1.852 930 H TRP 117 H TRP 117 10.803 8.554 -0.683 931 HA TRP 117 HA TRP 117 11.600 5.911 -0.799 932 1HB TRP 117 1HB TRP 117 12.375 7.335 -2.519 933 2HB TRP 117 2HB TRP 117 13.060 8.483 -1.377 934 HD1 TRP 117 HD1 TRP 117 15.603 8.386 -1.264 935 HE1 TRP 117 HE1 TRP 117 17.412 6.606 -1.690 936 HE3 TRP 117 HE3 TRP 117 12.588 4.408 -2.377 937 HZ2 TRP 117 HZ2 TRP 117 17.545 3.880 -2.398 938 HZ3 TRP 117 HZ3 TRP 117 13.638 2.249 -2.918 939 HH2 TRP 117 HH2 TRP 117 16.066 1.993 -2.929 940 H GLU 118 H GLU 118 12.597 8.488 1.376 941 HA GLU 118 HA GLU 118 14.790 7.240 2.580 942 1HB GLU 118 1HB GLU 118 12.838 9.171 3.846 943 2HB GLU 118 2HB GLU 118 14.430 8.779 4.461 944 1HG GLU 118 1HG GLU 118 13.779 10.215 1.906 945 2HG GLU 118 2HG GLU 118 14.520 10.890 3.353 946 H ILE 119 H ILE 119 11.400 7.384 3.778 947 HA ILE 119 HA ILE 119 11.832 5.670 5.951 948 HB ILE 119 HB ILE 119 9.440 5.273 6.045 949 1HG1 ILE 119 1HG1 ILE 119 9.428 6.504 3.294 950 2HG1 ILE 119 2HG1 ILE 119 8.865 4.902 3.754 951 1HG2 ILE 119 1HG2 ILE 119 10.000 8.131 5.275 952 2HG2 ILE 119 2HG2 ILE 119 10.393 7.408 6.834 953 3HG2 ILE 119 3HG2 ILE 119 8.709 7.547 6.327 954 1HD1 ILE 119 1HD1 ILE 119 7.102 6.620 3.245 955 2HD1 ILE 119 2HD1 ILE 119 7.577 7.429 4.739 956 3HD1 ILE 119 3HD1 ILE 119 6.944 5.784 4.791 957 H VAL 120 H VAL 120 11.205 4.902 2.542 958 HA VAL 120 HA VAL 120 10.728 2.149 3.070 959 HB VAL 120 HB VAL 120 10.291 1.955 0.917 960 1HG1 VAL 120 1HG1 VAL 120 9.548 4.229 1.105 961 2HG1 VAL 120 2HG1 VAL 120 10.210 3.939 -0.504 962 3HG1 VAL 120 3HG1 VAL 120 11.158 4.815 0.695 963 1HG2 VAL 120 1HG2 VAL 120 12.565 1.334 0.451 964 2HG2 VAL 120 2HG2 VAL 120 13.031 3.029 0.297 965 3HG2 VAL 120 3HG2 VAL 120 11.924 2.304 -0.874 966 H VAL 121 H VAL 121 13.735 3.963 2.349 967 HA VAL 121 HA VAL 121 15.427 1.696 2.275 968 HB VAL 121 HB VAL 121 17.214 3.090 2.238 969 1HG1 VAL 121 1HG1 VAL 121 15.205 5.289 1.964 970 2HG1 VAL 121 2HG1 VAL 121 15.449 4.054 0.728 971 3HG1 VAL 121 3HG1 VAL 121 16.776 5.128 1.176 972 1HG2 VAL 121 1HG2 VAL 121 17.281 3.668 4.527 973 2HG2 VAL 121 2HG2 VAL 121 15.882 4.726 4.374 974 3HG2 VAL 121 3HG2 VAL 121 17.411 5.171 3.615 975 H GLN 122 H GLN 122 14.082 3.621 4.826 976 HA GLN 122 HA GLN 122 15.569 2.457 6.963 977 1HB GLN 122 1HB GLN 122 14.710 4.654 7.282 978 2HB GLN 122 2HB GLN 122 13.087 4.161 6.818 979 1HG GLN 122 1HG GLN 122 12.757 3.003 8.832 980 2HG GLN 122 2HG GLN 122 14.467 3.088 9.252 981 1HE2 GLN 122 1HE2 GLN 122 14.052 4.065 11.228 982 2HE2 GLN 122 2HE2 GLN 122 13.532 5.706 11.360 983 H ASP 123 H ASP 123 12.703 1.653 5.219 984 HA ASP 123 HA ASP 123 11.966 -0.398 7.186 985 1HB ASP 123 1HB ASP 123 10.488 0.940 4.933 986 2HB ASP 123 2HB ASP 123 9.911 -0.579 5.611 987 H GLY 124 H GLY 124 13.873 -0.121 4.518 988 1HA GLY 124 1HA GLY 124 14.815 -1.658 3.088 989 2HA GLY 124 2HA GLY 124 14.176 -2.904 4.155 990 H ILE 125 H ILE 125 12.877 -0.507 1.866 991 HA ILE 125 HA ILE 125 11.142 -2.623 0.767 992 HB ILE 125 HB ILE 125 10.528 0.317 0.707 993 1HG1 ILE 125 1HG1 ILE 125 10.697 -0.323 3.047 994 2HG1 ILE 125 2HG1 ILE 125 9.008 -0.077 2.616 995 1HG2 ILE 125 1HG2 ILE 125 9.391 -1.157 -0.913 996 2HG2 ILE 125 2HG2 ILE 125 8.287 -0.369 0.216 997 3HG2 ILE 125 3HG2 ILE 125 8.716 -2.065 0.439 998 1HD1 ILE 125 1HD1 ILE 125 10.381 -2.745 2.835 999 2HD1 ILE 125 2HD1 ILE 125 8.676 -2.473 2.470 1000 3HD1 ILE 125 3HD1 ILE 125 9.323 -2.025 4.048 1001 H THR 126 H THR 126 13.386 -2.744 -0.496 1002 HA THR 126 HA THR 126 12.861 -1.393 -3.026 1003 HB THR 126 HB THR 126 15.650 -1.439 -1.914 1004 HG1 THR 126 HG1 THR 126 14.179 -0.045 -0.695 1005 1HG2 THR 126 1HG2 THR 126 14.342 -0.083 -4.261 1006 2HG2 THR 126 2HG2 THR 126 15.625 -1.300 -4.289 1007 3HG2 THR 126 3HG2 THR 126 15.960 0.323 -3.679 1008 H LEU 127 H LEU 127 14.220 -2.272 -4.800 1009 HA LEU 127 HA LEU 127 14.409 -4.120 -6.133 1010 1HB LEU 127 1HB LEU 127 16.549 -5.189 -5.838 1011 2HB LEU 127 2HB LEU 127 16.678 -3.472 -5.540 1012 HG LEU 127 HG LEU 127 16.576 -5.523 -3.343 1013 1HD1 LEU 127 1HD1 LEU 127 18.960 -5.203 -3.133 1014 2HD1 LEU 127 2HD1 LEU 127 18.942 -4.203 -4.586 1015 3HD1 LEU 127 3HD1 LEU 127 18.522 -5.914 -4.688 1016 1HD2 LEU 127 1HD2 LEU 127 16.797 -2.598 -3.427 1017 2HD2 LEU 127 2HD2 LEU 127 17.763 -3.477 -2.245 1018 3HD2 LEU 127 3HD2 LEU 127 16.022 -3.647 -2.246 1019 H ILE 128 H ILE 128 15.397 -6.655 -5.762 1020 HA ILE 128 HA ILE 128 13.210 -7.894 -4.236 1021 HB ILE 128 HB ILE 128 14.876 -9.191 -6.397 1022 1HG1 ILE 128 1HG1 ILE 128 13.598 -7.330 -7.347 1023 2HG1 ILE 128 2HG1 ILE 128 12.921 -8.868 -7.869 1024 1HG2 ILE 128 1HG2 ILE 128 13.732 -10.628 -4.659 1025 2HG2 ILE 128 2HG2 ILE 128 13.313 -10.970 -6.335 1026 3HG2 ILE 128 3HG2 ILE 128 12.201 -10.053 -5.317 1027 1HD1 ILE 128 1HD1 ILE 128 11.824 -7.023 -5.764 1028 2HD1 ILE 128 2HD1 ILE 128 11.186 -8.631 -6.108 1029 3HD1 ILE 128 3HD1 ILE 128 11.134 -7.377 -7.346 1030 H THR 129 H THR 129 13.726 -8.806 -2.386 1031 HA THR 129 HA THR 129 16.476 -9.082 -1.655 1032 HB THR 129 HB THR 129 15.731 -9.577 0.543 1033 HG1 THR 129 HG1 THR 129 13.158 -10.020 -0.613 1034 1HG2 THR 129 1HG2 THR 129 13.819 -7.632 -0.742 1035 2HG2 THR 129 2HG2 THR 129 15.420 -7.262 -0.106 1036 3HG2 THR 129 3HG2 THR 129 14.129 -7.759 0.988 1037 H LYS 130 H LYS 130 16.977 -10.624 -3.327 1038 HA LYS 130 HA LYS 130 17.581 -13.110 -2.395 1039 1HB LYS 130 1HB LYS 130 15.990 -14.578 -3.675 1040 2HB LYS 130 2HB LYS 130 15.297 -13.773 -2.278 1041 1HG LYS 130 1HG LYS 130 14.444 -12.027 -3.922 1042 2HG LYS 130 2HG LYS 130 14.870 -13.187 -5.187 1043 1HD LYS 130 1HD LYS 130 12.578 -13.546 -4.682 1044 2HD LYS 130 2HD LYS 130 13.475 -14.876 -3.943 1045 1HE LYS 130 1HE LYS 130 13.425 -13.646 -1.790 1046 2HE LYS 130 2HE LYS 130 12.416 -12.418 -2.554 1047 1HZ LYS 130 1HZ LYS 130 10.770 -14.164 -3.015 1048 2HZ LYS 130 2HZ LYS 130 11.045 -13.960 -1.359 1049 3HZ LYS 130 3HZ LYS 130 11.723 -15.279 -2.171 1050 H GLU 131 H GLU 131 16.107 -12.052 -5.457 1051 HA GLU 131 HA GLU 131 18.312 -11.462 -6.926 1052 1HB GLU 131 1HB GLU 131 18.666 -13.628 -8.215 1053 2HB GLU 131 2HB GLU 131 19.310 -13.601 -6.578 1054 1HG GLU 131 1HG GLU 131 17.176 -14.731 -5.852 1055 2HG GLU 131 2HG GLU 131 16.818 -14.956 -7.565 1056 H GLU 132 H GLU 132 15.637 -10.733 -6.858 1057 HA GLU 132 HA GLU 132 13.853 -10.279 -8.199 1058 1HB GLU 132 1HB GLU 132 15.733 -9.738 -9.805 1059 2HB GLU 132 2HB GLU 132 15.532 -11.354 -10.469 1060 1HG GLU 132 1HG GLU 132 13.178 -10.789 -10.989 1061 2HG GLU 132 2HG GLU 132 13.497 -9.138 -10.451 1062 H ALA 133 H ALA 133 13.602 -12.508 -6.804 1063 HA ALA 133 HA ALA 133 12.300 -14.386 -8.655 1064 1HB ALA 133 1HB ALA 133 13.986 -15.051 -6.250 1065 2HB ALA 133 2HB ALA 133 14.343 -15.420 -7.939 1066 3HB ALA 133 3HB ALA 133 12.997 -16.219 -7.127 1067 H SER 134 H SER 134 11.260 -16.104 -6.755 1068 HA SER 134 HA SER 134 9.416 -14.372 -5.237 1069 1HB SER 134 1HB SER 134 7.727 -16.172 -5.530 1070 2HB SER 134 2HB SER 134 8.256 -15.491 -7.069 1071 HG SER 134 HG SER 134 8.395 -18.029 -6.214 1072 H GLY 135 H GLY 135 11.823 -16.712 -5.062 1073 1HA GLY 135 1HA GLY 135 11.806 -16.869 -2.257 1074 2HA GLY 135 2HA GLY 135 11.018 -18.305 -2.892 1075 H SER 136 H SER 136 13.979 -16.823 -2.163 1076 HA SER 136 HA SER 136 15.422 -19.068 -3.409 1077 1HB SER 136 1HB SER 136 16.423 -16.219 -3.202 1078 2HB SER 136 2HB SER 136 17.305 -17.578 -3.887 1079 HG SER 136 HG SER 136 16.150 -17.451 -5.656 1080 H SER 137 H SER 137 14.356 -18.413 -0.655 1081 HA SER 137 HA SER 137 14.937 -18.755 1.506 1082 1HB SER 137 1HB SER 137 16.612 -20.331 1.993 1083 2HB SER 137 2HB SER 137 16.071 -20.767 0.372 1084 HG SER 137 HG SER 137 18.410 -20.655 0.719 1085 H VAL 138 H VAL 138 16.192 -16.439 -0.251 1086 HA VAL 138 HA VAL 138 18.343 -15.618 1.539 1087 HB VAL 138 HB VAL 138 17.208 -14.197 -0.878 1088 1HG1 VAL 138 1HG1 VAL 138 19.308 -12.882 -0.771 1089 2HG1 VAL 138 2HG1 VAL 138 19.684 -13.661 0.766 1090 3HG1 VAL 138 3HG1 VAL 138 18.263 -12.627 0.628 1091 1HG2 VAL 138 1HG2 VAL 138 19.665 -15.918 -0.579 1092 2HG2 VAL 138 2HG2 VAL 138 19.264 -14.962 -2.006 1093 3HG2 VAL 138 3HG2 VAL 138 18.221 -16.298 -1.517 1094 H THR 139 H THR 139 18.308 -13.720 2.758 1095 HA THR 139 HA THR 139 15.644 -12.980 3.675 1096 HB THR 139 HB THR 139 17.148 -13.587 5.425 1097 HG1 THR 139 HG1 THR 139 15.860 -11.826 5.991 1098 1HG2 THR 139 1HG2 THR 139 19.238 -13.185 4.164 1099 2HG2 THR 139 2HG2 THR 139 19.285 -12.522 5.800 1100 3HG2 THR 139 3HG2 THR 139 19.028 -11.452 4.422 1101 H ALA 140 H ALA 140 15.537 -10.610 4.487 1102 HA ALA 140 HA ALA 140 15.362 -8.919 2.295 1103 1HB ALA 140 1HB ALA 140 14.868 -7.156 3.863 1104 2HB ALA 140 2HB ALA 140 15.562 -8.098 5.184 1105 3HB ALA 140 3HB ALA 140 14.091 -8.652 4.384 1106 H GLU 141 H GLU 141 18.161 -9.802 3.967 1107 HA GLU 141 HA GLU 141 19.742 -7.613 4.212 1108 1HB GLU 141 1HB GLU 141 20.303 -10.419 3.406 1109 2HB GLU 141 2HB GLU 141 21.600 -9.240 3.245 1110 1HG GLU 141 1HG GLU 141 21.351 -8.652 5.595 1111 2HG GLU 141 2HG GLU 141 20.072 -9.849 5.760 1112 H GLU 142 H GLU 142 19.040 -9.262 1.128 1113 HA GLU 142 HA GLU 142 20.800 -7.894 -0.510 1114 1HB GLU 142 1HB GLU 142 17.947 -8.553 -1.247 1115 2HB GLU 142 2HB GLU 142 19.298 -8.347 -2.349 1116 1HG GLU 142 1HG GLU 142 18.956 -10.562 -0.342 1117 2HG GLU 142 2HG GLU 142 18.777 -10.688 -2.092 1118 H ALA 143 H ALA 143 17.484 -6.964 0.378 1119 HA ALA 143 HA ALA 143 17.541 -4.452 -0.869 1120 1HB ALA 143 1HB ALA 143 15.677 -3.871 0.656 1121 2HB ALA 143 2HB ALA 143 15.952 -5.392 1.511 1122 3HB ALA 143 3HB ALA 143 15.442 -5.406 -0.179 1123 H LYS 144 H LYS 144 18.049 -5.385 2.499 1124 HA LYS 144 HA LYS 144 18.747 -3.020 3.648 1125 1HB LYS 144 1HB LYS 144 18.689 -4.820 5.110 1126 2HB LYS 144 2HB LYS 144 19.628 -5.849 4.045 1127 1HG LYS 144 1HG LYS 144 21.644 -4.573 4.613 1128 2HG LYS 144 2HG LYS 144 20.689 -3.588 5.723 1129 1HD LYS 144 1HD LYS 144 21.006 -6.585 5.911 1130 2HD LYS 144 2HD LYS 144 21.936 -5.415 6.850 1131 1HE LYS 144 1HE LYS 144 19.844 -4.565 7.826 1132 2HE LYS 144 2HE LYS 144 18.941 -5.772 6.911 1133 1HZ LYS 144 1HZ LYS 144 21.001 -6.356 8.969 1134 2HZ LYS 144 2HZ LYS 144 20.120 -7.509 8.099 1135 3HZ LYS 144 3HZ LYS 144 19.328 -6.485 9.187 1136 H LYS 145 H LYS 145 20.444 -4.815 1.243 1137 HA LYS 145 HA LYS 145 22.925 -3.363 1.591 1138 1HB LYS 145 1HB LYS 145 22.506 -5.850 0.772 1139 2HB LYS 145 2HB LYS 145 22.397 -5.068 -0.797 1140 1HG LYS 145 1HG LYS 145 24.734 -4.693 1.056 1141 2HG LYS 145 2HG LYS 145 24.657 -5.971 -0.157 1142 1HD LYS 145 1HD LYS 145 24.415 -4.293 -1.918 1143 2HD LYS 145 2HD LYS 145 24.470 -3.010 -0.707 1144 1HE LYS 145 1HE LYS 145 26.634 -3.303 -1.815 1145 2HE LYS 145 2HE LYS 145 26.728 -3.658 -0.089 1146 1HZ LYS 145 1HZ LYS 145 27.920 -5.295 -1.418 1147 2HZ LYS 145 2HZ LYS 145 26.499 -5.684 -2.250 1148 3HZ LYS 145 3HZ LYS 145 26.626 -6.011 -0.595 1149 H PHE 146 H PHE 146 20.263 -3.486 -0.827 1150 HA PHE 146 HA PHE 146 21.504 -1.716 -2.614 1151 1HB PHE 146 1HB PHE 146 19.475 -3.184 -3.062 1152 2HB PHE 146 2HB PHE 146 18.551 -1.826 -2.425 1153 HD1 PHE 146 HD1 PHE 146 17.591 -2.148 -4.884 1154 HD2 PHE 146 HD2 PHE 146 21.449 -0.613 -3.965 1155 HE1 PHE 146 HE1 PHE 146 17.677 -1.055 -7.074 1156 HE2 PHE 146 HE2 PHE 146 21.538 0.479 -6.151 1157 HZ PHE 146 HZ PHE 146 19.603 0.191 -7.757 1158 H LEU 147 H LEU 147 18.974 -1.067 -0.177 1159 HA LEU 147 HA LEU 147 19.187 1.776 -0.677 1160 1HB LEU 147 1HB LEU 147 17.446 1.947 1.135 1161 2HB LEU 147 2HB LEU 147 16.980 1.135 -0.334 1162 HG LEU 147 HG LEU 147 16.226 0.181 1.948 1163 1HD1 LEU 147 1HD1 LEU 147 15.662 -1.011 0.057 1164 2HD1 LEU 147 2HD1 LEU 147 16.579 -2.176 1.013 1165 3HD1 LEU 147 3HD1 LEU 147 17.341 -1.357 -0.353 1166 1HD2 LEU 147 1HD2 LEU 147 17.727 -1.458 2.934 1167 2HD2 LEU 147 2HD2 LEU 147 18.423 0.160 3.023 1168 3HD2 LEU 147 3HD2 LEU 147 19.003 -0.985 1.814 1169 H ALA 148 H ALA 148 21.417 0.195 0.616 1170 HA ALA 148 HA ALA 148 21.549 1.143 3.310 1171 1HB ALA 148 1HB ALA 148 23.711 -0.004 1.550 1172 2HB ALA 148 2HB ALA 148 22.687 -0.903 2.669 1173 3HB ALA 148 3HB ALA 148 23.843 0.276 3.287 1174 HA PRO 149 HA PRO 149 23.343 5.108 2.479 1175 1HB PRO 149 1HB PRO 149 24.423 5.394 5.079 1176 2HB PRO 149 2HB PRO 149 22.847 5.939 4.514 1177 1HG PRO 149 1HG PRO 149 23.310 3.928 6.398 1178 2HG PRO 149 2HG PRO 149 21.784 4.232 5.553 1179 1HD PRO 149 1HD PRO 149 23.883 2.190 5.007 1180 2HD PRO 149 2HD PRO 149 22.123 2.095 4.786 1181 H LYS 150 H LYS 150 25.408 2.764 4.160 1182 HA LYS 150 HA LYS 150 27.782 4.145 3.150 1183 1HB LYS 150 1HB LYS 150 28.769 2.091 4.640 1184 2HB LYS 150 2HB LYS 150 28.439 3.703 5.255 1185 1HG LYS 150 1HG LYS 150 27.499 2.173 6.789 1186 2HG LYS 150 2HG LYS 150 26.154 2.883 5.896 1187 1HD LYS 150 1HD LYS 150 26.034 0.908 4.478 1188 2HD LYS 150 2HD LYS 150 27.416 0.205 5.319 1189 1HE LYS 150 1HE LYS 150 24.738 0.869 6.536 1190 2HE LYS 150 2HE LYS 150 25.328 -0.745 6.137 1191 1HZ LYS 150 1HZ LYS 150 25.606 -0.283 8.480 1192 2HZ LYS 150 2HZ LYS 150 26.518 1.099 8.139 1193 3HZ LYS 150 3HZ LYS 150 27.121 -0.430 7.742 1194 H ASP 151 H ASP 151 28.261 3.571 1.141 1195 HA ASP 151 HA ASP 151 29.083 0.899 0.573 1196 1HB ASP 151 1HB ASP 151 26.650 0.625 0.287 1197 2HB ASP 151 2HB ASP 151 26.642 1.941 -0.883 1198 H LYS 152 H LYS 152 28.532 4.188 -0.334 1199 HA LYS 152 HA LYS 152 29.857 4.064 -2.867 1200 1HB LYS 152 1HB LYS 152 29.067 6.363 -1.079 1201 2HB LYS 152 2HB LYS 152 29.888 6.593 -2.616 1202 1HG LYS 152 1HG LYS 152 27.616 6.913 -3.077 1203 2HG LYS 152 2HG LYS 152 27.977 5.288 -3.662 1204 1HD LYS 152 1HD LYS 152 27.051 4.345 -1.598 1205 2HD LYS 152 2HD LYS 152 26.684 5.971 -1.022 1206 1HE LYS 152 1HE LYS 152 24.697 4.918 -1.954 1207 2HE LYS 152 2HE LYS 152 25.185 6.306 -2.928 1208 1HZ LYS 152 1HZ LYS 152 24.579 4.416 -4.307 1209 2HZ LYS 152 2HZ LYS 152 25.762 3.462 -3.566 1210 3HZ LYS 152 3HZ LYS 152 26.217 4.795 -4.502 Start of MODEL 4 1 1H MET 1 1H MET 1 -75.878 -4.581 10.295 2 2H MET 1 2H MET 1 -74.630 -5.642 10.716 3 3H MET 1 3H MET 1 -75.339 -5.738 9.185 4 HA MET 1 HA MET 1 -73.771 -3.448 10.219 5 1HB MET 1 1HB MET 1 -72.075 -4.135 8.579 6 2HB MET 1 2HB MET 1 -72.362 -5.394 9.773 7 1HG MET 1 1HG MET 1 -73.779 -6.582 8.174 8 2HG MET 1 2HG MET 1 -73.476 -5.325 6.977 9 1HE MET 1 1HE MET 1 -69.641 -5.739 6.317 10 2HE MET 1 2HE MET 1 -70.344 -4.706 7.561 11 3HE MET 1 3HE MET 1 -71.094 -4.803 5.969 12 H HIS 2 H HIS 2 -73.390 -1.785 8.689 13 HA HIS 2 HA HIS 2 -75.309 -1.738 6.454 14 1HB HIS 2 1HB HIS 2 -74.487 0.579 8.219 15 2HB HIS 2 2HB HIS 2 -75.567 0.683 6.833 16 HD1 HIS 2 HD1 HIS 2 -77.996 0.139 7.216 17 HD2 HIS 2 HD2 HIS 2 -75.592 -0.855 10.457 18 HE1 HIS 2 HE1 HIS 2 -79.584 -0.468 9.070 19 HE2 HIS 2 HE2 HIS 2 -78.106 -1.144 10.995 20 H HIS 3 H HIS 3 -72.575 0.250 7.592 21 HA HIS 3 HA HIS 3 -71.515 0.196 4.847 22 1HB HIS 3 1HB HIS 3 -70.952 2.191 7.052 23 2HB HIS 3 2HB HIS 3 -70.363 2.281 5.396 24 HD1 HIS 3 HD1 HIS 3 -71.866 3.364 3.698 25 HD2 HIS 3 HD2 HIS 3 -73.797 2.610 7.300 26 HE1 HIS 3 HE1 HIS 3 -74.098 4.511 3.520 27 HE2 HIS 3 HE2 HIS 3 -75.274 3.987 5.684 28 H HIS 4 H HIS 4 -70.267 0.498 8.179 29 HA HIS 4 HA HIS 4 -68.161 -1.429 7.473 30 1HB HIS 4 1HB HIS 4 -66.550 -0.101 8.806 31 2HB HIS 4 2HB HIS 4 -67.148 0.777 7.402 32 HD1 HIS 4 HD1 HIS 4 -68.648 2.835 7.838 33 HD2 HIS 4 HD2 HIS 4 -67.290 0.961 11.289 34 HE1 HIS 4 HE1 HIS 4 -69.137 4.440 9.710 35 HE2 HIS 4 HE2 HIS 4 -68.386 3.248 11.799 36 H HIS 5 H HIS 5 -66.913 -1.928 9.690 37 HA HIS 5 HA HIS 5 -69.011 -2.651 11.628 38 1HB HIS 5 1HB HIS 5 -68.002 -4.582 10.473 39 2HB HIS 5 2HB HIS 5 -66.412 -4.085 11.041 40 HD1 HIS 5 HD1 HIS 5 -69.738 -5.267 12.427 41 HD2 HIS 5 HD2 HIS 5 -65.724 -5.079 13.485 42 HE1 HIS 5 HE1 HIS 5 -69.552 -6.547 14.584 43 HE2 HIS 5 HE2 HIS 5 -67.098 -6.496 15.157 44 H HIS 6 H HIS 6 -68.883 -1.739 13.563 45 HA HIS 6 HA HIS 6 -66.712 -0.035 14.274 46 1HB HIS 6 1HB HIS 6 -69.109 -0.994 15.845 47 2HB HIS 6 2HB HIS 6 -67.959 0.198 16.441 48 HD1 HIS 6 HD1 HIS 6 -68.352 2.577 15.781 49 HD2 HIS 6 HD2 HIS 6 -70.584 -0.090 13.506 50 HE1 HIS 6 HE1 HIS 6 -69.899 4.000 14.401 51 HE2 HIS 6 HE2 HIS 6 -71.297 2.362 13.094 52 H HIS 7 H HIS 7 -65.396 -0.191 16.174 53 HA HIS 7 HA HIS 7 -63.938 -1.213 17.582 54 1HB HIS 7 1HB HIS 7 -66.138 -2.128 18.508 55 2HB HIS 7 2HB HIS 7 -65.774 -3.604 17.623 56 HD1 HIS 7 HD1 HIS 7 -63.826 -5.067 18.508 57 HD2 HIS 7 HD2 HIS 7 -64.603 -1.691 20.801 58 HE1 HIS 7 HE1 HIS 7 -62.574 -5.414 20.660 59 HE2 HIS 7 HE2 HIS 7 -63.146 -3.407 22.072 60 H LYS 8 H LYS 8 -64.506 -2.180 14.540 61 HA LYS 8 HA LYS 8 -63.432 -3.469 13.004 62 1HB LYS 8 1HB LYS 8 -61.188 -3.439 15.029 63 2HB LYS 8 2HB LYS 8 -61.039 -3.791 13.313 64 1HG LYS 8 1HG LYS 8 -61.739 -1.505 12.787 65 2HG LYS 8 2HG LYS 8 -61.867 -1.156 14.512 66 1HD LYS 8 1HD LYS 8 -59.466 -1.691 14.762 67 2HD LYS 8 2HD LYS 8 -59.364 -1.933 13.017 68 1HE LYS 8 1HE LYS 8 -60.116 0.627 14.422 69 2HE LYS 8 2HE LYS 8 -58.574 0.286 13.639 70 1HZ LYS 8 1HZ LYS 8 -61.215 0.418 12.285 71 2HZ LYS 8 2HZ LYS 8 -59.739 0.079 11.528 72 3HZ LYS 8 3HZ LYS 8 -60.006 1.601 12.216 73 H LEU 9 H LEU 9 -61.795 -5.588 13.008 74 HA LEU 9 HA LEU 9 -63.290 -7.591 14.562 75 1HB LEU 9 1HB LEU 9 -61.871 -7.781 11.911 76 2HB LEU 9 2HB LEU 9 -62.405 -9.194 12.800 77 HG LEU 9 HG LEU 9 -64.032 -8.751 11.125 78 1HD1 LEU 9 1HD1 LEU 9 -65.104 -7.690 13.734 79 2HD1 LEU 9 2HD1 LEU 9 -64.916 -9.395 13.322 80 3HD1 LEU 9 3HD1 LEU 9 -66.046 -8.388 12.417 81 1HD2 LEU 9 1HD2 LEU 9 -65.153 -6.618 10.862 82 2HD2 LEU 9 2HD2 LEU 9 -63.409 -6.424 10.679 83 3HD2 LEU 9 3HD2 LEU 9 -64.199 -5.933 12.177 84 H LYS 10 H LYS 10 -60.048 -7.140 13.138 85 HA LYS 10 HA LYS 10 -58.835 -7.928 15.654 86 1HB LYS 10 1HB LYS 10 -57.434 -9.669 14.602 87 2HB LYS 10 2HB LYS 10 -59.144 -10.080 14.588 88 1HG LYS 10 1HG LYS 10 -59.292 -9.398 12.248 89 2HG LYS 10 2HG LYS 10 -57.575 -8.983 12.262 90 1HD LYS 10 1HD LYS 10 -57.004 -11.300 12.744 91 2HD LYS 10 2HD LYS 10 -58.715 -11.727 12.794 92 1HE LYS 10 1HE LYS 10 -57.228 -10.656 10.396 93 2HE LYS 10 2HE LYS 10 -57.688 -12.337 10.657 94 1HZ LYS 10 1HZ LYS 10 -59.563 -10.052 10.372 95 2HZ LYS 10 2HZ LYS 10 -60.013 -11.659 10.644 96 3HZ LYS 10 3HZ LYS 10 -59.249 -11.229 9.197 97 H THR 11 H THR 11 -56.268 -8.124 15.086 98 HA THR 11 HA THR 11 -55.569 -5.460 14.260 99 HB THR 11 HB THR 11 -53.273 -6.072 14.853 100 HG1 THR 11 HG1 THR 11 -54.284 -8.601 14.565 101 1HG2 THR 11 1HG2 THR 11 -53.638 -6.565 17.226 102 2HG2 THR 11 2HG2 THR 11 -55.297 -7.047 16.874 103 3HG2 THR 11 3HG2 THR 11 -54.796 -5.372 16.638 104 H GLU 12 H GLU 12 -55.266 -4.894 12.218 105 HA GLU 12 HA GLU 12 -54.104 -6.873 10.365 106 1HB GLU 12 1HB GLU 12 -56.447 -6.444 9.816 107 2HB GLU 12 2HB GLU 12 -56.136 -4.714 9.759 108 1HG GLU 12 1HG GLU 12 -54.654 -5.033 7.852 109 2HG GLU 12 2HG GLU 12 -54.935 -6.774 7.918 110 H GLN 13 H GLN 13 -52.183 -6.329 9.587 111 HA GLN 13 HA GLN 13 -51.259 -3.571 9.872 112 1HB GLN 13 1HB GLN 13 -49.709 -6.061 9.140 113 2HB GLN 13 2HB GLN 13 -49.022 -4.479 9.483 114 1HG GLN 13 1HG GLN 13 -50.531 -6.210 11.429 115 2HG GLN 13 2HG GLN 13 -48.783 -5.988 11.374 116 1HE2 GLN 13 1HE2 GLN 13 -47.896 -4.041 12.062 117 2HE2 GLN 13 2HE2 GLN 13 -48.791 -2.905 13.006 118 H GLY 14 H GLY 14 -52.267 -5.820 7.471 119 1HA GLY 14 1HA GLY 14 -52.622 -5.537 5.215 120 2HA GLY 14 2HA GLY 14 -52.209 -3.841 5.424 121 H GLY 15 H GLY 15 -50.123 -6.566 6.223 122 1HA GLY 15 1HA GLY 15 -48.596 -7.271 4.280 123 2HA GLY 15 2HA GLY 15 -48.210 -5.558 4.221 124 H ALA 16 H ALA 16 -48.038 -8.456 6.225 125 HA ALA 16 HA ALA 16 -46.370 -7.267 8.218 126 1HB ALA 16 1HB ALA 16 -46.104 -9.541 9.064 127 2HB ALA 16 2HB ALA 16 -46.857 -10.181 7.604 128 3HB ALA 16 3HB ALA 16 -47.796 -9.190 8.719 129 H HIS 17 H HIS 17 -44.221 -7.070 8.286 130 HA HIS 17 HA HIS 17 -42.041 -7.076 7.654 131 1HB HIS 17 1HB HIS 17 -42.163 -9.462 8.157 132 2HB HIS 17 2HB HIS 17 -42.764 -9.793 6.535 133 HD1 HIS 17 HD1 HIS 17 -41.055 -9.992 4.671 134 HD2 HIS 17 HD2 HIS 17 -39.398 -8.760 8.277 135 HE1 HIS 17 HE1 HIS 17 -38.565 -10.120 4.343 136 HE2 HIS 17 HE2 HIS 17 -37.583 -9.433 6.559 137 H PHE 18 H PHE 18 -41.923 -5.418 6.223 138 HA PHE 18 HA PHE 18 -42.776 -5.711 3.487 139 1HB PHE 18 1HB PHE 18 -41.288 -3.484 4.885 140 2HB PHE 18 2HB PHE 18 -41.862 -3.410 3.225 141 HD1 PHE 18 HD1 PHE 18 -44.261 -3.310 2.745 142 HD2 PHE 18 HD2 PHE 18 -42.776 -3.230 6.734 143 HE1 PHE 18 HE1 PHE 18 -46.437 -2.477 3.535 144 HE2 PHE 18 HE2 PHE 18 -44.951 -2.397 7.530 145 HZ PHE 18 HZ PHE 18 -46.784 -2.018 5.930 146 H SER 19 H SER 19 -40.858 -4.404 2.038 147 HA SER 19 HA SER 19 -38.854 -6.477 1.781 148 1HB SER 19 1HB SER 19 -39.851 -5.765 -0.258 149 2HB SER 19 2HB SER 19 -39.533 -4.069 0.098 150 HG SER 19 HG SER 19 -37.953 -5.867 -1.120 151 H VAL 20 H VAL 20 -37.042 -6.373 2.925 152 HA VAL 20 HA VAL 20 -35.997 -3.772 3.758 153 HB VAL 20 HB VAL 20 -34.487 -5.059 5.224 154 1HG1 VAL 20 1HG1 VAL 20 -36.678 -4.340 6.043 155 2HG1 VAL 20 2HG1 VAL 20 -36.186 -5.867 6.775 156 3HG1 VAL 20 3HG1 VAL 20 -37.386 -5.855 5.483 157 1HG2 VAL 20 1HG2 VAL 20 -34.809 -7.478 5.482 158 2HG2 VAL 20 2HG2 VAL 20 -34.246 -7.063 3.862 159 3HG2 VAL 20 3HG2 VAL 20 -35.942 -7.466 4.131 160 H SER 21 H SER 21 -33.865 -3.124 3.366 161 HA SER 21 HA SER 21 -32.803 -4.011 0.844 162 1HB SER 21 1HB SER 21 -31.124 -2.223 1.194 163 2HB SER 21 2HB SER 21 -32.774 -1.633 1.398 164 HG SER 21 HG SER 21 -31.770 -0.865 3.150 165 H SER 22 H SER 22 -31.541 -3.859 4.172 166 HA SER 22 HA SER 22 -29.951 -5.058 5.262 167 1HB SER 22 1HB SER 22 -30.560 -7.132 3.141 168 2HB SER 22 2HB SER 22 -29.660 -7.428 4.629 169 HG SER 22 HG SER 22 -32.124 -7.792 4.446 170 H LEU 23 H LEU 23 -29.403 -3.541 2.577 171 HA LEU 23 HA LEU 23 -26.716 -4.638 2.097 172 1HB LEU 23 1HB LEU 23 -28.486 -4.238 0.221 173 2HB LEU 23 2HB LEU 23 -28.020 -2.555 0.376 174 HG LEU 23 HG LEU 23 -26.846 -3.630 -1.469 175 1HD1 LEU 23 1HD1 LEU 23 -24.975 -3.057 0.822 176 2HD1 LEU 23 2HD1 LEU 23 -25.703 -1.848 -0.234 177 3HD1 LEU 23 3HD1 LEU 23 -24.572 -3.028 -0.894 178 1HD2 LEU 23 1HD2 LEU 23 -25.577 -5.435 0.579 179 2HD2 LEU 23 2HD2 LEU 23 -25.352 -5.464 -1.171 180 3HD2 LEU 23 3HD2 LEU 23 -26.908 -5.913 -0.473 181 H ALA 24 H ALA 24 -28.368 -1.475 2.248 182 HA ALA 24 HA ALA 24 -25.884 -0.165 2.964 183 1HB ALA 24 1HB ALA 24 -28.655 1.002 2.733 184 2HB ALA 24 2HB ALA 24 -27.484 0.903 1.419 185 3HB ALA 24 3HB ALA 24 -27.138 1.898 2.833 186 H GLU 25 H GLU 25 -25.593 -1.352 4.974 187 HA GLU 25 HA GLU 25 -26.572 0.127 7.217 188 1HB GLU 25 1HB GLU 25 -28.493 -1.335 6.914 189 2HB GLU 25 2HB GLU 25 -27.449 -2.747 6.890 190 1HG GLU 25 1HG GLU 25 -26.801 -2.273 9.217 191 2HG GLU 25 2HG GLU 25 -27.920 -0.912 9.228 192 H GLY 26 H GLY 26 -24.981 -2.824 6.084 193 1HA GLY 26 1HA GLY 26 -23.157 -2.681 8.392 194 2HA GLY 26 2HA GLY 26 -23.417 -4.101 7.390 195 H SER 27 H SER 27 -23.232 -1.409 5.437 196 HA SER 27 HA SER 27 -20.342 -1.305 5.256 197 1HB SER 27 1HB SER 27 -22.010 -2.372 2.964 198 2HB SER 27 2HB SER 27 -20.296 -1.968 2.872 199 HG SER 27 HG SER 27 -20.842 -4.241 3.276 200 H VAL 28 H VAL 28 -23.201 -0.585 3.247 201 HA VAL 28 HA VAL 28 -23.971 1.331 2.303 202 HB VAL 28 HB VAL 28 -22.294 2.798 4.340 203 1HG1 VAL 28 1HG1 VAL 28 -24.784 3.609 2.843 204 2HG1 VAL 28 2HG1 VAL 28 -23.152 4.204 2.540 205 3HG1 VAL 28 3HG1 VAL 28 -23.955 4.572 4.066 206 1HG2 VAL 28 1HG2 VAL 28 -25.117 1.762 4.585 207 2HG2 VAL 28 2HG2 VAL 28 -24.293 2.792 5.757 208 3HG2 VAL 28 3HG2 VAL 28 -23.708 1.155 5.454 209 H THR 29 H THR 29 -20.875 2.728 3.295 210 HA THR 29 HA THR 29 -20.308 3.367 0.510 211 HB THR 29 HB THR 29 -18.494 4.773 1.407 212 HG1 THR 29 HG1 THR 29 -17.858 4.541 3.414 213 1HG2 THR 29 1HG2 THR 29 -21.105 5.228 2.852 214 2HG2 THR 29 2HG2 THR 29 -20.796 5.658 1.171 215 3HG2 THR 29 3HG2 THR 29 -19.889 6.445 2.463 216 H SER 30 H SER 30 -17.924 3.249 -0.127 217 HA SER 30 HA SER 30 -16.885 0.600 0.631 218 1HB SER 30 1HB SER 30 -16.317 2.121 -1.913 219 2HB SER 30 2HB SER 30 -15.899 0.448 -1.546 220 HG SER 30 HG SER 30 -18.573 1.362 -1.559 221 H VAL 31 H VAL 31 -14.489 0.374 0.385 222 HA VAL 31 HA VAL 31 -12.517 0.852 1.453 223 HB VAL 31 HB VAL 31 -12.061 1.547 -0.804 224 1HG1 VAL 31 1HG1 VAL 31 -13.859 3.191 -1.080 225 2HG1 VAL 31 2HG1 VAL 31 -12.293 3.840 -1.563 226 3HG1 VAL 31 3HG1 VAL 31 -12.999 4.303 -0.016 227 1HG2 VAL 31 1HG2 VAL 31 -10.424 1.918 1.062 228 2HG2 VAL 31 2HG2 VAL 31 -10.891 3.619 1.032 229 3HG2 VAL 31 3HG2 VAL 31 -10.155 2.880 -0.391 230 H GLY 32 H GLY 32 -12.926 1.237 3.580 231 1HA GLY 32 1HA GLY 32 -13.926 3.717 4.571 232 2HA GLY 32 2HA GLY 32 -13.214 2.428 5.530 233 H SER 33 H SER 33 -11.753 3.412 6.784 234 HA SER 33 HA SER 33 -9.655 4.975 5.440 235 1HB SER 33 1HB SER 33 -11.162 6.525 6.624 236 2HB SER 33 2HB SER 33 -10.900 5.632 8.122 237 HG SER 33 HG SER 33 -8.564 6.368 6.934 238 H VAL 34 H VAL 34 -10.243 2.197 6.894 239 HA VAL 34 HA VAL 34 -8.131 2.141 8.857 240 HB VAL 34 HB VAL 34 -10.124 0.741 9.151 241 1HG1 VAL 34 1HG1 VAL 34 -10.583 0.251 6.805 242 2HG1 VAL 34 2HG1 VAL 34 -10.485 -1.230 7.754 243 3HG1 VAL 34 3HG1 VAL 34 -9.136 -0.754 6.724 244 1HG2 VAL 34 1HG2 VAL 34 -8.015 0.064 10.192 245 2HG2 VAL 34 2HG2 VAL 34 -7.604 -0.873 8.756 246 3HG2 VAL 34 3HG2 VAL 34 -8.988 -1.338 9.746 247 H ASN 35 H ASN 35 -8.537 1.286 5.490 248 HA ASN 35 HA ASN 35 -5.716 1.152 5.086 249 1HB ASN 35 1HB ASN 35 -6.389 -1.138 6.057 250 2HB ASN 35 2HB ASN 35 -7.151 -1.426 4.496 251 1HD2 ASN 35 1HD2 ASN 35 -5.761 -3.102 4.002 252 2HD2 ASN 35 2HD2 ASN 35 -4.108 -2.840 3.578 253 HA PRO 36 HA PRO 36 -7.690 2.292 1.220 254 1HB PRO 36 1HB PRO 36 -5.563 3.456 0.065 255 2HB PRO 36 2HB PRO 36 -6.460 4.248 1.370 256 1HG PRO 36 1HG PRO 36 -3.878 2.741 1.480 257 2HG PRO 36 2HG PRO 36 -4.327 4.257 2.284 258 1HD PRO 36 1HD PRO 36 -4.351 1.809 3.516 259 2HD PRO 36 2HD PRO 36 -5.374 3.174 4.007 260 H ALA 37 H ALA 37 -5.135 0.170 1.854 261 HA ALA 37 HA ALA 37 -4.687 -0.655 -0.879 262 1HB ALA 37 1HB ALA 37 -2.809 -0.686 0.616 263 2HB ALA 37 2HB ALA 37 -3.201 -2.349 0.176 264 3HB ALA 37 3HB ALA 37 -3.676 -1.719 1.751 265 H GLU 38 H GLU 38 -6.673 -1.579 1.813 266 HA GLU 38 HA GLU 38 -7.127 -4.243 1.196 267 1HB GLU 38 1HB GLU 38 -8.797 -4.226 2.740 268 2HB GLU 38 2HB GLU 38 -7.921 -2.778 3.215 269 1HG GLU 38 1HG GLU 38 -9.518 -1.391 2.008 270 2HG GLU 38 2HG GLU 38 -10.399 -2.833 1.504 271 H ASN 39 H ASN 39 -8.141 -1.419 -0.462 272 HA ASN 39 HA ASN 39 -10.391 -2.495 -1.823 273 1HB ASN 39 1HB ASN 39 -9.788 -0.046 -1.706 274 2HB ASN 39 2HB ASN 39 -8.474 -0.372 -2.831 275 1HD2 ASN 39 1HD2 ASN 39 -10.761 1.376 -3.142 276 2HD2 ASN 39 2HD2 ASN 39 -11.605 0.828 -4.546 277 H PHE 40 H PHE 40 -7.004 -2.023 -2.820 278 HA PHE 40 HA PHE 40 -7.039 -3.400 -5.212 279 1HB PHE 40 1HB PHE 40 -4.870 -2.786 -5.088 280 2HB PHE 40 2HB PHE 40 -5.039 -2.457 -3.370 281 HD1 PHE 40 HD1 PHE 40 -4.078 -4.975 -5.865 282 HD2 PHE 40 HD2 PHE 40 -4.251 -4.008 -1.728 283 HE1 PHE 40 HE1 PHE 40 -2.614 -6.885 -5.358 284 HE2 PHE 40 HE2 PHE 40 -2.792 -5.917 -1.213 285 HZ PHE 40 HZ PHE 40 -1.971 -7.359 -3.032 286 H ARG 41 H ARG 41 -6.653 -4.558 -1.912 287 HA ARG 41 HA ARG 41 -6.247 -7.269 -2.421 288 1HB ARG 41 1HB ARG 41 -7.652 -5.912 -0.127 289 2HB ARG 41 2HB ARG 41 -7.229 -7.617 -0.150 290 1HG ARG 41 1HG ARG 41 -4.903 -7.081 -0.204 291 2HG ARG 41 2HG ARG 41 -5.267 -5.360 -0.372 292 1HD ARG 41 1HD ARG 41 -5.138 -6.983 1.996 293 2HD ARG 41 2HD ARG 41 -5.211 -5.228 1.834 294 HE ARG 41 HE ARG 41 -7.727 -5.714 1.532 295 1HH1 ARG 41 1HH1 ARG 41 -5.559 -7.468 3.623 296 2HH1 ARG 41 2HH1 ARG 41 -6.798 -7.910 4.748 297 1HH2 ARG 41 1HH2 ARG 41 -9.363 -6.293 3.008 298 2HH2 ARG 41 2HH2 ARG 41 -8.960 -7.243 4.400 299 H VAL 42 H VAL 42 -9.208 -5.383 -2.091 300 HA VAL 42 HA VAL 42 -11.037 -7.479 -2.133 301 HB VAL 42 HB VAL 42 -11.249 -4.599 -2.971 302 1HG1 VAL 42 1HG1 VAL 42 -12.714 -5.735 -4.509 303 2HG1 VAL 42 2HG1 VAL 42 -13.692 -4.964 -3.259 304 3HG1 VAL 42 3HG1 VAL 42 -13.400 -6.702 -3.203 305 1HG2 VAL 42 1HG2 VAL 42 -11.193 -5.183 -0.580 306 2HG2 VAL 42 2HG2 VAL 42 -12.610 -6.207 -0.814 307 3HG2 VAL 42 3HG2 VAL 42 -12.731 -4.463 -1.058 308 H LEU 43 H LEU 43 -9.586 -5.665 -4.847 309 HA LEU 43 HA LEU 43 -11.050 -7.115 -6.806 310 1HB LEU 43 1HB LEU 43 -8.471 -5.588 -7.077 311 2HB LEU 43 2HB LEU 43 -9.394 -6.233 -8.425 312 HG LEU 43 HG LEU 43 -11.280 -4.762 -7.090 313 1HD1 LEU 43 1HD1 LEU 43 -9.215 -4.004 -5.728 314 2HD1 LEU 43 2HD1 LEU 43 -10.402 -2.813 -6.264 315 3HD1 LEU 43 3HD1 LEU 43 -8.879 -3.000 -7.141 316 1HD2 LEU 43 1HD2 LEU 43 -11.067 -3.189 -8.918 317 2HD2 LEU 43 2HD2 LEU 43 -10.850 -4.833 -9.520 318 3HD2 LEU 43 3HD2 LEU 43 -9.450 -3.787 -9.282 319 H VAL 44 H VAL 44 -7.840 -7.608 -5.378 320 HA VAL 44 HA VAL 44 -7.187 -9.753 -7.139 321 HB VAL 44 HB VAL 44 -5.273 -10.182 -5.797 322 1HG1 VAL 44 1HG1 VAL 44 -5.465 -7.936 -7.041 323 2HG1 VAL 44 2HG1 VAL 44 -4.151 -8.154 -5.887 324 3HG1 VAL 44 3HG1 VAL 44 -5.579 -7.229 -5.428 325 1HG2 VAL 44 1HG2 VAL 44 -4.938 -9.219 -3.574 326 2HG2 VAL 44 2HG2 VAL 44 -6.348 -10.277 -3.625 327 3HG2 VAL 44 3HG2 VAL 44 -6.559 -8.527 -3.637 328 H LYS 45 H LYS 45 -9.074 -9.485 -4.273 329 HA LYS 45 HA LYS 45 -8.969 -12.372 -3.788 330 1HB LYS 45 1HB LYS 45 -9.773 -11.972 -1.634 331 2HB LYS 45 2HB LYS 45 -8.744 -10.575 -1.932 332 1HG LYS 45 1HG LYS 45 -10.688 -9.223 -2.452 333 2HG LYS 45 2HG LYS 45 -11.742 -10.621 -2.241 334 1HD LYS 45 1HD LYS 45 -11.839 -9.304 -0.244 335 2HD LYS 45 2HD LYS 45 -10.945 -10.783 0.113 336 1HE LYS 45 1HE LYS 45 -8.840 -9.584 -0.091 337 2HE LYS 45 2HE LYS 45 -9.704 -8.107 -0.521 338 1HZ LYS 45 1HZ LYS 45 -10.733 -8.108 1.658 339 2HZ LYS 45 2HZ LYS 45 -9.048 -8.121 1.809 340 3HZ LYS 45 3HZ LYS 45 -9.931 -9.541 2.071 341 H GLN 46 H GLN 46 -10.971 -9.977 -5.219 342 HA GLN 46 HA GLN 46 -13.294 -11.775 -5.139 343 1HB GLN 46 1HB GLN 46 -13.165 -8.845 -5.864 344 2HB GLN 46 2HB GLN 46 -14.623 -9.826 -5.855 345 1HG GLN 46 1HG GLN 46 -12.904 -9.209 -3.473 346 2HG GLN 46 2HG GLN 46 -14.443 -8.443 -3.855 347 1HE2 GLN 46 1HE2 GLN 46 -16.351 -9.640 -3.641 348 2HE2 GLN 46 2HE2 GLN 46 -16.420 -11.082 -2.696 349 H LYS 47 H LYS 47 -14.700 -10.954 -7.296 350 HA LYS 47 HA LYS 47 -13.343 -12.260 -9.464 351 1HB LYS 47 1HB LYS 47 -15.460 -11.886 -10.678 352 2HB LYS 47 2HB LYS 47 -15.731 -12.609 -9.098 353 1HG LYS 47 1HG LYS 47 -16.290 -10.379 -8.206 354 2HG LYS 47 2HG LYS 47 -16.099 -9.710 -9.826 355 1HD LYS 47 1HD LYS 47 -17.911 -11.088 -10.648 356 2HD LYS 47 2HD LYS 47 -18.053 -11.885 -9.081 357 1HE LYS 47 1HE LYS 47 -18.673 -9.752 -8.055 358 2HE LYS 47 2HE LYS 47 -18.526 -8.955 -9.620 359 1HZ LYS 47 1HZ LYS 47 -20.314 -10.349 -10.457 360 2HZ LYS 47 2HZ LYS 47 -20.826 -9.476 -9.102 361 3HZ LYS 47 3HZ LYS 47 -20.452 -11.118 -8.957 362 H LYS 48 H LYS 48 -13.227 -9.191 -8.296 363 HA LYS 48 HA LYS 48 -13.432 -7.561 -10.572 364 1HB LYS 48 1HB LYS 48 -12.517 -7.307 -7.825 365 2HB LYS 48 2HB LYS 48 -11.579 -6.323 -8.933 366 1HG LYS 48 1HG LYS 48 -13.294 -4.927 -8.209 367 2HG LYS 48 2HG LYS 48 -13.815 -5.470 -9.806 368 1HD LYS 48 1HD LYS 48 -15.701 -5.613 -8.363 369 2HD LYS 48 2HD LYS 48 -15.139 -7.262 -8.654 370 1HE LYS 48 1HE LYS 48 -13.960 -7.241 -6.513 371 2HE LYS 48 2HE LYS 48 -14.503 -5.588 -6.223 372 1HZ LYS 48 1HZ LYS 48 -16.788 -6.380 -6.224 373 2HZ LYS 48 2HZ LYS 48 -15.878 -7.191 -5.052 374 3HZ LYS 48 3HZ LYS 48 -16.266 -7.964 -6.504 375 H ALA 49 H ALA 49 -10.976 -6.132 -10.388 376 HA ALA 49 HA ALA 49 -9.504 -7.032 -12.495 377 1HB ALA 49 1HB ALA 49 -9.275 -4.818 -11.549 378 2HB ALA 49 2HB ALA 49 -7.704 -5.608 -11.678 379 3HB ALA 49 3HB ALA 49 -8.505 -5.498 -10.114 380 H SER 50 H SER 50 -7.161 -7.626 -12.477 381 HA SER 50 HA SER 50 -6.765 -10.048 -10.939 382 1HB SER 50 1HB SER 50 -4.589 -10.091 -12.337 383 2HB SER 50 2HB SER 50 -6.119 -10.299 -13.198 384 HG SER 50 HG SER 50 -5.326 -8.720 -14.358 385 H PHE 51 H PHE 51 -4.319 -10.312 -10.181 386 HA PHE 51 HA PHE 51 -3.983 -8.532 -8.038 387 1HB PHE 51 1HB PHE 51 -3.082 -10.902 -8.219 388 2HB PHE 51 2HB PHE 51 -1.782 -10.232 -9.202 389 HD1 PHE 51 HD1 PHE 51 -0.024 -8.963 -8.233 390 HD2 PHE 51 HD2 PHE 51 -3.276 -10.305 -5.845 391 HE1 PHE 51 HE1 PHE 51 1.248 -8.418 -6.205 392 HE2 PHE 51 HE2 PHE 51 -2.011 -9.758 -3.809 393 HZ PHE 51 HZ PHE 51 0.194 -8.745 -3.967 394 H GLU 52 H GLU 52 -3.219 -8.190 -11.306 395 HA GLU 52 HA GLU 52 -1.008 -6.386 -10.867 396 1HB GLU 52 1HB GLU 52 -0.608 -6.498 -13.143 397 2HB GLU 52 2HB GLU 52 -1.340 -8.061 -12.818 398 1HG GLU 52 1HG GLU 52 -3.481 -7.233 -13.645 399 2HG GLU 52 2HG GLU 52 -2.743 -5.669 -13.983 400 H GLU 53 H GLU 53 -4.245 -6.028 -12.371 401 HA GLU 53 HA GLU 53 -4.068 -3.225 -12.617 402 1HB GLU 53 1HB GLU 53 -6.780 -4.165 -12.155 403 2HB GLU 53 2HB GLU 53 -6.097 -3.391 -13.572 404 1HG GLU 53 1HG GLU 53 -5.025 -5.617 -14.062 405 2HG GLU 53 2HG GLU 53 -6.139 -6.281 -12.864 406 H ALA 54 H ALA 54 -5.328 -5.353 -10.151 407 HA ALA 54 HA ALA 54 -6.476 -3.470 -8.445 408 1HB ALA 54 1HB ALA 54 -6.425 -5.186 -6.784 409 2HB ALA 54 2HB ALA 54 -5.132 -6.036 -7.634 410 3HB ALA 54 3HB ALA 54 -6.743 -5.947 -8.345 411 H SER 55 H SER 55 -3.213 -4.941 -8.351 412 HA SER 55 HA SER 55 -2.309 -3.361 -6.184 413 1HB SER 55 1HB SER 55 -0.085 -4.108 -6.778 414 2HB SER 55 2HB SER 55 -1.201 -5.464 -6.966 415 HG SER 55 HG SER 55 -0.493 -5.566 -8.934 416 H ASN 56 H ASN 56 -2.325 -2.974 -9.655 417 HA ASN 56 HA ASN 56 -0.698 -0.710 -9.848 418 1HB ASN 56 1HB ASN 56 -2.754 -2.012 -11.554 419 2HB ASN 56 2HB ASN 56 -2.383 -0.331 -11.923 420 1HD2 ASN 56 1HD2 ASN 56 -0.280 0.213 -12.579 421 2HD2 ASN 56 2HD2 ASN 56 0.805 -0.976 -13.208 422 H GLN 57 H GLN 57 -4.117 -1.101 -9.151 423 HA GLN 57 HA GLN 57 -4.717 1.689 -9.183 424 1HB GLN 57 1HB GLN 57 -6.380 -0.227 -9.430 425 2HB GLN 57 2HB GLN 57 -6.237 -0.454 -7.692 426 1HG GLN 57 1HG GLN 57 -6.862 2.037 -7.531 427 2HG GLN 57 2HG GLN 57 -7.402 1.849 -9.199 428 1HE2 GLN 57 1HE2 GLN 57 -8.942 2.432 -6.789 429 2HE2 GLN 57 2HE2 GLN 57 -10.136 1.190 -6.676 430 H LEU 58 H LEU 58 -3.618 -0.629 -6.806 431 HA LEU 58 HA LEU 58 -4.015 0.962 -4.501 432 1HB LEU 58 1HB LEU 58 -3.305 -1.593 -4.849 433 2HB LEU 58 2HB LEU 58 -1.698 -0.920 -4.666 434 HG LEU 58 HG LEU 58 -3.862 -1.255 -2.632 435 1HD1 LEU 58 1HD1 LEU 58 -2.114 -2.060 -1.291 436 2HD1 LEU 58 2HD1 LEU 58 -0.876 -1.333 -2.315 437 3HD1 LEU 58 3HD1 LEU 58 -1.812 -2.712 -2.901 438 1HD2 LEU 58 1HD2 LEU 58 -1.812 0.960 -2.543 439 2HD2 LEU 58 2HD2 LEU 58 -2.761 0.407 -1.163 440 3HD2 LEU 58 3HD2 LEU 58 -3.567 1.141 -2.551 441 H ILE 59 H ILE 59 -1.049 0.335 -6.411 442 HA ILE 59 HA ILE 59 0.527 2.232 -5.044 443 HB ILE 59 HB ILE 59 0.976 1.595 -7.959 444 1HG1 ILE 59 1HG1 ILE 59 2.193 -0.245 -5.987 445 2HG1 ILE 59 2HG1 ILE 59 0.462 -0.447 -6.223 446 1HG2 ILE 59 1HG2 ILE 59 3.329 1.689 -7.259 447 2HG2 ILE 59 2HG2 ILE 59 2.800 2.087 -5.625 448 3HG2 ILE 59 3HG2 ILE 59 2.449 3.188 -6.960 449 1HD1 ILE 59 1HD1 ILE 59 2.592 -0.591 -8.333 450 2HD1 ILE 59 2HD1 ILE 59 0.857 -0.684 -8.637 451 3HD1 ILE 59 3HD1 ILE 59 1.651 -1.927 -7.670 452 H ASN 60 H ASN 60 -1.646 2.405 -7.804 453 HA ASN 60 HA ASN 60 -1.022 4.951 -8.775 454 1HB ASN 60 1HB ASN 60 -3.382 3.158 -8.898 455 2HB ASN 60 2HB ASN 60 -3.634 4.845 -9.321 456 1HD2 ASN 60 1HD2 ASN 60 -3.817 2.498 -10.998 457 2HD2 ASN 60 2HD2 ASN 60 -2.677 2.716 -12.279 458 H HIS 61 H HIS 61 -3.485 3.945 -6.420 459 HA HIS 61 HA HIS 61 -4.413 6.505 -5.766 460 1HB HIS 61 1HB HIS 61 -5.826 5.135 -4.673 461 2HB HIS 61 2HB HIS 61 -4.679 3.800 -4.786 462 HD1 HIS 61 HD1 HIS 61 -2.809 3.770 -2.860 463 HD2 HIS 61 HD2 HIS 61 -6.180 6.082 -2.154 464 HE1 HIS 61 HE1 HIS 61 -2.831 4.178 -0.396 465 HE2 HIS 61 HE2 HIS 61 -4.884 5.578 0.028 466 H ILE 62 H ILE 62 -1.737 4.568 -4.669 467 HA ILE 62 HA ILE 62 -0.846 6.226 -2.576 468 HB ILE 62 HB ILE 62 0.624 4.253 -4.318 469 1HG1 ILE 62 1HG1 ILE 62 -1.177 3.416 -2.804 470 2HG1 ILE 62 2HG1 ILE 62 0.416 2.759 -2.468 471 1HG2 ILE 62 1HG2 ILE 62 2.409 4.337 -2.606 472 2HG2 ILE 62 2HG2 ILE 62 1.601 5.731 -1.885 473 3HG2 ILE 62 3HG2 ILE 62 2.244 5.834 -3.526 474 1HD1 ILE 62 1HD1 ILE 62 -0.790 3.290 -0.425 475 2HD1 ILE 62 2HD1 ILE 62 -0.932 4.972 -0.942 476 3HD1 ILE 62 3HD1 ILE 62 0.656 4.288 -0.589 477 H GLU 63 H GLU 63 -0.473 6.303 -6.044 478 HA GLU 63 HA GLU 63 1.656 8.195 -6.095 479 1HB GLU 63 1HB GLU 63 -0.372 7.370 -8.177 480 2HB GLU 63 2HB GLU 63 0.880 8.563 -8.486 481 1HG GLU 63 1HG GLU 63 2.586 6.887 -7.955 482 2HG GLU 63 2HG GLU 63 1.319 5.692 -7.705 483 H GLN 64 H GLN 64 -1.864 8.362 -6.148 484 HA GLN 64 HA GLN 64 -2.175 11.105 -6.580 485 1HB GLN 64 1HB GLN 64 -4.072 9.533 -6.532 486 2HB GLN 64 2HB GLN 64 -3.822 9.275 -4.811 487 1HG GLN 64 1HG GLN 64 -4.400 11.577 -4.349 488 2HG GLN 64 2HG GLN 64 -4.561 11.906 -6.074 489 1HE2 GLN 64 1HE2 GLN 64 -5.971 10.361 -3.299 490 2HE2 GLN 64 2HE2 GLN 64 -7.526 10.075 -3.994 491 H PHE 65 H PHE 65 -1.841 9.267 -3.548 492 HA PHE 65 HA PHE 65 -1.705 11.490 -1.834 493 1HB PHE 65 1HB PHE 65 -1.683 9.766 -0.378 494 2HB PHE 65 2HB PHE 65 -1.167 8.641 -1.630 495 HD1 PHE 65 HD1 PHE 65 0.809 7.538 -1.268 496 HD2 PHE 65 HD2 PHE 65 0.276 11.434 0.359 497 HE1 PHE 65 HE1 PHE 65 2.995 7.372 -0.156 498 HE2 PHE 65 HE2 PHE 65 2.458 11.269 1.466 499 HZ PHE 65 HZ PHE 65 3.928 9.311 0.982 500 H LEU 66 H LEU 66 0.913 9.595 -3.356 501 HA LEU 66 HA LEU 66 3.035 11.135 -2.456 502 1HB LEU 66 1HB LEU 66 2.679 9.389 -4.871 503 2HB LEU 66 2HB LEU 66 4.174 10.293 -4.629 504 HG LEU 66 HG LEU 66 3.027 8.256 -2.707 505 1HD1 LEU 66 1HD1 LEU 66 4.781 6.792 -3.415 506 2HD1 LEU 66 2HD1 LEU 66 5.450 8.033 -4.478 507 3HD1 LEU 66 3HD1 LEU 66 3.880 7.314 -4.839 508 1HD2 LEU 66 1HD2 LEU 66 5.063 8.481 -1.460 509 2HD2 LEU 66 2HD2 LEU 66 4.360 10.088 -1.651 510 3HD2 LEU 66 3HD2 LEU 66 5.729 9.599 -2.652 511 H ASP 67 H ASP 67 0.599 11.887 -4.717 512 HA ASP 67 HA ASP 67 2.073 13.947 -6.068 513 1HB ASP 67 1HB ASP 67 0.065 12.833 -7.083 514 2HB ASP 67 2HB ASP 67 -0.932 13.624 -5.868 515 H THR 68 H THR 68 -0.241 13.701 -3.397 516 HA THR 68 HA THR 68 -0.325 16.465 -2.781 517 HB THR 68 HB THR 68 -1.843 14.539 -1.860 518 HG1 THR 68 HG1 THR 68 -1.426 16.996 -1.161 519 1HG2 THR 68 1HG2 THR 68 -0.493 14.624 0.690 520 2HG2 THR 68 2HG2 THR 68 0.513 13.854 -0.534 521 3HG2 THR 68 3HG2 THR 68 -1.104 13.234 -0.208 522 H ASN 69 H ASN 69 0.406 16.998 -0.300 523 HA ASN 69 HA ASN 69 3.306 16.465 -0.256 524 1HB ASN 69 1HB ASN 69 1.699 18.896 0.491 525 2HB ASN 69 2HB ASN 69 3.355 18.674 1.064 526 1HD2 ASN 69 1HD2 ASN 69 2.251 20.716 -0.689 527 2HD2 ASN 69 2HD2 ASN 69 3.142 20.620 -2.165 528 H GLU 70 H GLU 70 0.587 15.542 1.239 529 HA GLU 70 HA GLU 70 1.360 15.796 4.001 530 1HB GLU 70 1HB GLU 70 -0.721 13.886 2.983 531 2HB GLU 70 2HB GLU 70 -0.684 14.771 4.501 532 1HG GLU 70 1HG GLU 70 -0.880 16.286 1.947 533 2HG GLU 70 2HG GLU 70 -2.308 15.468 2.577 534 H THR 71 H THR 71 2.223 14.205 5.344 535 HA THR 71 HA THR 71 3.324 11.890 3.932 536 HB THR 71 HB THR 71 4.805 11.602 5.922 537 HG1 THR 71 HG1 THR 71 3.908 14.241 6.551 538 1HG2 THR 71 1HG2 THR 71 5.606 12.623 3.869 539 2HG2 THR 71 2HG2 THR 71 6.313 13.441 5.265 540 3HG2 THR 71 3HG2 THR 71 4.986 14.194 4.379 541 HA PRO 72 HA PRO 72 0.703 10.339 7.989 542 1HB PRO 72 1HB PRO 72 -1.574 10.977 6.142 543 2HB PRO 72 2HB PRO 72 -1.592 10.810 7.894 544 1HG PRO 72 1HG PRO 72 -1.583 13.210 6.741 545 2HG PRO 72 2HG PRO 72 -0.657 12.910 8.226 546 1HD PRO 72 1HD PRO 72 0.297 13.337 5.465 547 2HD PRO 72 2HD PRO 72 1.146 13.581 7.004 548 H TYR 73 H TYR 73 0.223 10.492 4.576 549 HA TYR 73 HA TYR 73 -0.529 7.727 4.295 550 1HB TYR 73 1HB TYR 73 -0.140 9.876 2.212 551 2HB TYR 73 2HB TYR 73 -0.961 8.330 1.992 552 HD1 TYR 73 HD1 TYR 73 -1.649 11.608 2.147 553 HD2 TYR 73 HD2 TYR 73 -2.728 8.040 4.201 554 HE1 TYR 73 HE1 TYR 73 -3.760 12.656 2.852 555 HE2 TYR 73 HE2 TYR 73 -4.840 9.078 4.908 556 HH TYR 73 HH TYR 73 -5.987 12.001 3.580 557 H PHE 74 H PHE 74 2.473 9.486 4.192 558 HA PHE 74 HA PHE 74 3.695 7.830 2.242 559 1HB PHE 74 1HB PHE 74 5.595 9.049 2.463 560 2HB PHE 74 2HB PHE 74 4.433 10.181 3.101 561 HD1 PHE 74 HD1 PHE 74 7.572 9.979 3.479 562 HD2 PHE 74 HD2 PHE 74 4.210 8.874 5.830 563 HE1 PHE 74 HE1 PHE 74 8.929 10.186 5.519 564 HE2 PHE 74 HE2 PHE 74 5.557 9.087 7.871 565 HZ PHE 74 HZ PHE 74 8.110 9.998 7.548 566 H MET 75 H MET 75 3.598 7.625 5.770 567 HA MET 75 HA MET 75 5.193 5.225 5.790 568 1HB MET 75 1HB MET 75 3.754 5.187 8.152 569 2HB MET 75 2HB MET 75 5.339 5.914 7.937 570 1HG MET 75 1HG MET 75 4.526 8.030 7.903 571 2HG MET 75 2HG MET 75 2.928 7.560 7.337 572 1HE MET 75 1HE MET 75 1.318 6.090 10.586 573 2HE MET 75 2HE MET 75 2.183 5.201 9.333 574 3HE MET 75 3HE MET 75 1.069 6.494 8.889 575 H LYS 76 H LYS 76 1.843 6.152 5.804 576 HA LYS 76 HA LYS 76 0.740 3.560 6.039 577 1HB LYS 76 1HB LYS 76 -0.487 5.688 6.449 578 2HB LYS 76 2HB LYS 76 -0.428 6.014 4.733 579 1HG LYS 76 1HG LYS 76 -1.521 3.451 5.017 580 2HG LYS 76 2HG LYS 76 -2.306 4.489 6.208 581 1HD LYS 76 1HD LYS 76 -3.545 4.591 4.152 582 2HD LYS 76 2HD LYS 76 -2.748 6.134 4.415 583 1HE LYS 76 1HE LYS 76 -1.422 4.015 2.794 584 2HE LYS 76 2HE LYS 76 -2.673 5.042 2.089 585 1HZ LYS 76 1HZ LYS 76 -0.566 5.997 1.641 586 2HZ LYS 76 2HZ LYS 76 -0.116 5.921 3.267 587 3HZ LYS 76 3HZ LYS 76 -1.347 6.969 2.783 588 H SER 77 H SER 77 2.192 5.385 3.487 589 HA SER 77 HA SER 77 1.149 3.900 1.284 590 1HB SER 77 1HB SER 77 2.592 5.106 -0.063 591 2HB SER 77 2HB SER 77 2.561 6.182 1.334 592 HG SER 77 HG SER 77 4.662 5.906 1.088 593 H ILE 78 H ILE 78 4.079 3.829 3.247 594 HA ILE 78 HA ILE 78 5.292 1.598 2.119 595 HB ILE 78 HB ILE 78 5.778 3.198 4.360 596 1HG1 ILE 78 1HG1 ILE 78 7.907 1.916 4.468 597 2HG1 ILE 78 2HG1 ILE 78 7.215 0.731 3.363 598 1HG2 ILE 78 1HG2 ILE 78 5.597 0.325 5.262 599 2HG2 ILE 78 2HG2 ILE 78 4.442 1.587 5.698 600 3HG2 ILE 78 3HG2 ILE 78 6.127 1.716 6.216 601 1HD1 ILE 78 1HD1 ILE 78 7.384 2.100 1.566 602 2HD1 ILE 78 2HD1 ILE 78 8.727 2.725 2.532 603 3HD1 ILE 78 3HD1 ILE 78 7.174 3.567 2.534 604 H ASP 79 H ASP 79 2.717 1.902 4.490 605 HA ASP 79 HA ASP 79 2.468 -0.816 5.147 606 1HB ASP 79 1HB ASP 79 0.757 1.596 5.394 607 2HB ASP 79 2HB ASP 79 -0.047 0.040 5.539 608 H CYS 80 H CYS 80 0.915 1.140 2.602 609 HA CYS 80 HA CYS 80 -0.782 -0.866 1.595 610 1HB CYS 80 1HB CYS 80 -1.176 0.545 -0.176 611 2HB CYS 80 2HB CYS 80 -0.447 1.707 0.927 612 HG CYS 80 HG CYS 80 0.927 0.258 -1.827 613 H ILE 81 H ILE 81 2.549 0.031 0.951 614 HA ILE 81 HA ILE 81 3.123 -1.757 -1.090 615 HB ILE 81 HB ILE 81 4.798 -0.459 1.035 616 1HG1 ILE 81 1HG1 ILE 81 5.682 -0.272 -1.733 617 2HG1 ILE 81 2HG1 ILE 81 4.014 0.266 -1.530 618 1HG2 ILE 81 1HG2 ILE 81 5.712 -2.640 -0.818 619 2HG2 ILE 81 2HG2 ILE 81 5.850 -2.568 0.940 620 3HG2 ILE 81 3HG2 ILE 81 6.814 -1.490 -0.065 621 1HD1 ILE 81 1HD1 ILE 81 5.664 2.081 -1.336 622 2HD1 ILE 81 2HD1 ILE 81 6.353 1.272 0.072 623 3HD1 ILE 81 3HD1 ILE 81 4.697 1.875 0.124 624 H ARG 82 H ARG 82 3.156 -2.006 2.391 625 HA ARG 82 HA ARG 82 4.093 -4.657 2.633 626 1HB ARG 82 1HB ARG 82 2.848 -2.613 4.363 627 2HB ARG 82 2HB ARG 82 2.563 -4.273 4.865 628 1HG ARG 82 1HG ARG 82 4.450 -3.634 6.043 629 2HG ARG 82 2HG ARG 82 5.105 -4.545 4.682 630 1HD ARG 82 1HD ARG 82 5.582 -2.446 3.518 631 2HD ARG 82 2HD ARG 82 4.909 -1.538 4.864 632 HE ARG 82 HE ARG 82 6.906 -1.761 5.923 633 1HH1 ARG 82 1HH1 ARG 82 6.631 -4.327 3.579 634 2HH1 ARG 82 2HH1 ARG 82 8.219 -4.949 3.887 635 1HH2 ARG 82 1HH2 ARG 82 8.993 -2.574 6.331 636 2HH2 ARG 82 2HH2 ARG 82 9.562 -3.952 5.449 637 H ALA 83 H ALA 83 1.020 -3.230 1.898 638 HA ALA 83 HA ALA 83 -0.673 -5.393 2.568 639 1HB ALA 83 1HB ALA 83 -1.195 -3.420 0.363 640 2HB ALA 83 2HB ALA 83 -1.379 -3.019 2.073 641 3HB ALA 83 3HB ALA 83 -2.367 -4.292 1.352 642 H PHE 84 H PHE 84 0.448 -4.320 -0.663 643 HA PHE 84 HA PHE 84 -0.417 -6.816 -1.790 644 1HB PHE 84 1HB PHE 84 0.612 -5.984 -3.911 645 2HB PHE 84 2HB PHE 84 -0.623 -4.945 -3.224 646 HD1 PHE 84 HD1 PHE 84 3.032 -5.220 -2.487 647 HD2 PHE 84 HD2 PHE 84 -0.184 -2.826 -3.899 648 HE1 PHE 84 HE1 PHE 84 4.546 -3.302 -2.685 649 HE2 PHE 84 HE2 PHE 84 1.328 -0.898 -4.095 650 HZ PHE 84 HZ PHE 84 3.701 -1.136 -3.494 651 H ARG 85 H ARG 85 2.392 -5.818 -0.214 652 HA ARG 85 HA ARG 85 4.355 -7.320 -1.527 653 1HB ARG 85 1HB ARG 85 4.065 -5.972 1.041 654 2HB ARG 85 2HB ARG 85 5.054 -7.420 1.153 655 1HG ARG 85 1HG ARG 85 6.512 -6.582 -0.599 656 2HG ARG 85 2HG ARG 85 5.507 -5.141 -0.759 657 1HD ARG 85 1HD ARG 85 6.087 -4.382 1.405 658 2HD ARG 85 2HD ARG 85 6.813 -5.933 1.830 659 HE ARG 85 HE ARG 85 7.961 -4.136 -0.208 660 1HH1 ARG 85 1HH1 ARG 85 8.284 -6.266 2.533 661 2HH1 ARG 85 2HH1 ARG 85 10.013 -6.168 2.566 662 1HH2 ARG 85 1HH2 ARG 85 10.234 -4.007 -0.172 663 2HH2 ARG 85 2HH2 ARG 85 11.122 -4.885 1.029 664 H GLU 86 H GLU 86 2.678 -8.165 1.503 665 HA GLU 86 HA GLU 86 3.526 -10.860 1.481 666 1HB GLU 86 1HB GLU 86 1.207 -9.575 2.931 667 2HB GLU 86 2HB GLU 86 1.842 -11.180 3.264 668 1HG GLU 86 1HG GLU 86 3.999 -10.189 3.876 669 2HG GLU 86 2HG GLU 86 3.334 -8.585 3.574 670 H GLU 87 H GLU 87 0.622 -9.249 0.309 671 HA GLU 87 HA GLU 87 -0.917 -11.526 -0.220 672 1HB GLU 87 1HB GLU 87 -0.915 -8.712 -1.161 673 2HB GLU 87 2HB GLU 87 -1.797 -9.877 -2.136 674 1HG GLU 87 1HG GLU 87 -3.241 -8.766 -0.516 675 2HG GLU 87 2HG GLU 87 -3.151 -10.503 -0.233 676 H ALA 88 H ALA 88 1.499 -9.863 -2.214 677 HA ALA 88 HA ALA 88 1.096 -11.255 -4.595 678 1HB ALA 88 1HB ALA 88 3.418 -10.667 -5.155 679 2HB ALA 88 2HB ALA 88 3.673 -10.153 -3.486 680 3HB ALA 88 3HB ALA 88 2.513 -9.300 -4.504 681 H ILE 89 H ILE 89 3.243 -12.044 -1.869 682 HA ILE 89 HA ILE 89 4.411 -14.325 -2.944 683 HB ILE 89 HB ILE 89 4.615 -13.035 -0.553 684 1HG1 ILE 89 1HG1 ILE 89 6.389 -14.301 -1.643 685 2HG1 ILE 89 2HG1 ILE 89 6.262 -14.769 0.049 686 1HG2 ILE 89 1HG2 ILE 89 4.084 -14.572 1.245 687 2HG2 ILE 89 2HG2 ILE 89 3.404 -15.720 0.092 688 3HG2 ILE 89 3HG2 ILE 89 2.625 -14.159 0.345 689 1HD1 ILE 89 1HD1 ILE 89 4.995 -16.768 -0.639 690 2HD1 ILE 89 2HD1 ILE 89 6.625 -16.713 -1.308 691 3HD1 ILE 89 3HD1 ILE 89 5.242 -16.310 -2.324 692 H LYS 90 H LYS 90 1.285 -13.859 -1.438 693 HA LYS 90 HA LYS 90 0.667 -16.692 -1.469 694 1HB LYS 90 1HB LYS 90 -1.016 -14.292 -0.729 695 2HB LYS 90 2HB LYS 90 -1.530 -15.964 -0.566 696 1HG LYS 90 1HG LYS 90 0.847 -14.765 0.838 697 2HG LYS 90 2HG LYS 90 -0.756 -14.943 1.548 698 1HD LYS 90 1HD LYS 90 0.951 -17.209 0.512 699 2HD LYS 90 2HD LYS 90 0.783 -16.757 2.208 700 1HE LYS 90 1HE LYS 90 -1.613 -17.228 2.102 701 2HE LYS 90 2HE LYS 90 -1.458 -17.661 0.399 702 1HZ LYS 90 1HZ LYS 90 -1.488 -19.630 1.765 703 2HZ LYS 90 2HZ LYS 90 -0.184 -19.067 2.684 704 3HZ LYS 90 3HZ LYS 90 0.040 -19.463 1.055 705 H PHE 91 H PHE 91 0.275 -13.952 -3.506 706 HA PHE 91 HA PHE 91 -1.797 -15.291 -5.080 707 1HB PHE 91 1HB PHE 91 -0.955 -12.447 -4.788 708 2HB PHE 91 2HB PHE 91 -1.718 -12.959 -6.298 709 HD1 PHE 91 HD1 PHE 91 -4.007 -14.001 -6.204 710 HD2 PHE 91 HD2 PHE 91 -2.220 -12.076 -2.856 711 HE1 PHE 91 HE1 PHE 91 -6.220 -13.778 -5.155 712 HE2 PHE 91 HE2 PHE 91 -4.430 -11.852 -1.800 713 HZ PHE 91 HZ PHE 91 -6.442 -12.755 -2.957 714 H SER 92 H SER 92 1.260 -15.697 -4.971 715 HA SER 92 HA SER 92 3.009 -16.035 -6.410 716 1HB SER 92 1HB SER 92 0.702 -17.004 -8.108 717 2HB SER 92 2HB SER 92 2.397 -17.409 -8.371 718 HG SER 92 HG SER 92 1.418 -17.877 -5.823 719 H GLU 93 H GLU 93 3.448 -13.756 -6.666 720 HA GLU 93 HA GLU 93 3.322 -12.971 -9.453 721 1HB GLU 93 1HB GLU 93 1.842 -11.576 -7.273 722 2HB GLU 93 2HB GLU 93 2.614 -10.583 -8.513 723 1HG GLU 93 1HG GLU 93 0.633 -12.792 -9.038 724 2HG GLU 93 2HG GLU 93 0.252 -11.072 -8.990 725 H GLU 94 H GLU 94 5.560 -13.195 -9.449 726 HA GLU 94 HA GLU 94 7.143 -11.685 -7.552 727 1HB GLU 94 1HB GLU 94 9.081 -12.625 -8.819 728 2HB GLU 94 2HB GLU 94 7.996 -13.839 -8.159 729 1HG GLU 94 1HG GLU 94 6.995 -14.181 -10.329 730 2HG GLU 94 2HG GLU 94 7.977 -12.887 -11.013 731 H GLN 95 H GLN 95 6.617 -11.666 -11.081 732 HA GLN 95 HA GLN 95 8.270 -9.534 -11.722 733 1HB GLN 95 1HB GLN 95 6.725 -9.170 -13.669 734 2HB GLN 95 2HB GLN 95 7.284 -10.826 -13.484 735 1HG GLN 95 1HG GLN 95 5.153 -11.401 -12.401 736 2HG GLN 95 2HG GLN 95 4.596 -9.751 -12.665 737 1HE2 GLN 95 1HE2 GLN 95 4.117 -9.066 -14.757 738 2HE2 GLN 95 2HE2 GLN 95 3.856 -10.184 -16.048 739 H ARG 96 H ARG 96 4.872 -9.502 -10.752 740 HA ARG 96 HA ARG 96 4.302 -6.814 -10.861 741 1HB ARG 96 1HB ARG 96 2.435 -7.851 -10.201 742 2HB ARG 96 2HB ARG 96 3.314 -9.104 -9.346 743 1HG ARG 96 1HG ARG 96 2.602 -8.176 -7.504 744 2HG ARG 96 2HG ARG 96 3.725 -6.866 -7.800 745 1HD ARG 96 1HD ARG 96 1.473 -6.349 -9.382 746 2HD ARG 96 2HD ARG 96 0.912 -6.874 -7.816 747 HE ARG 96 HE ARG 96 2.051 -4.382 -8.411 748 1HH1 ARG 96 1HH1 ARG 96 2.029 -6.850 -5.951 749 2HH1 ARG 96 2HH1 ARG 96 2.368 -5.746 -4.663 750 1HH2 ARG 96 1HH2 ARG 96 2.478 -2.928 -6.733 751 2HH2 ARG 96 2HH2 ARG 96 2.630 -3.514 -5.113 752 H PHE 97 H PHE 97 6.047 -8.588 -8.393 753 HA PHE 97 HA PHE 97 6.155 -6.542 -6.516 754 1HB PHE 97 1HB PHE 97 6.793 -9.059 -6.314 755 2HB PHE 97 2HB PHE 97 8.393 -8.524 -6.810 756 HD1 PHE 97 HD1 PHE 97 9.261 -6.403 -5.441 757 HD2 PHE 97 HD2 PHE 97 6.387 -9.222 -4.061 758 HE1 PHE 97 HE1 PHE 97 9.784 -5.794 -3.116 759 HE2 PHE 97 HE2 PHE 97 6.905 -8.617 -1.733 760 HZ PHE 97 HZ PHE 97 8.590 -6.929 -1.248 761 H ASN 98 H ASN 98 8.774 -7.558 -8.763 762 HA ASN 98 HA ASN 98 10.414 -5.332 -8.157 763 1HB ASN 98 1HB ASN 98 11.732 -5.958 -10.090 764 2HB ASN 98 2HB ASN 98 11.250 -7.416 -9.230 765 1HD2 ASN 98 1HD2 ASN 98 10.744 -5.459 -12.067 766 2HD2 ASN 98 2HD2 ASN 98 9.945 -6.672 -13.002 767 H ASN 99 H ASN 99 7.599 -5.662 -10.083 768 HA ASN 99 HA ASN 99 8.166 -3.450 -11.802 769 1HB ASN 99 1HB ASN 99 6.486 -5.427 -12.144 770 2HB ASN 99 2HB ASN 99 5.379 -4.407 -11.227 771 1HD2 ASN 99 1HD2 ASN 99 6.545 -1.940 -12.303 772 2HD2 ASN 99 2HD2 ASN 99 5.961 -1.812 -13.921 773 H PHE 100 H PHE 100 6.050 -3.850 -8.929 774 HA PHE 100 HA PHE 100 5.291 -1.107 -8.913 775 1HB PHE 100 1HB PHE 100 4.167 -1.541 -6.914 776 2HB PHE 100 2HB PHE 100 4.166 -3.117 -7.691 777 HD1 PHE 100 HD1 PHE 100 4.969 -4.975 -6.538 778 HD2 PHE 100 HD2 PHE 100 6.045 -1.088 -5.204 779 HE1 PHE 100 HE1 PHE 100 6.000 -5.960 -4.536 780 HE2 PHE 100 HE2 PHE 100 7.079 -2.063 -3.199 781 HZ PHE 100 HZ PHE 100 7.094 -4.505 -2.881 782 H LEU 101 H LEU 101 7.933 -2.907 -7.554 783 HA LEU 101 HA LEU 101 8.804 -0.868 -5.779 784 1HB LEU 101 1HB LEU 101 9.327 -3.349 -5.680 785 2HB LEU 101 2HB LEU 101 10.460 -3.081 -6.984 786 HG LEU 101 HG LEU 101 12.058 -2.282 -5.601 787 1HD1 LEU 101 1HD1 LEU 101 9.991 -0.994 -3.817 788 2HD1 LEU 101 2HD1 LEU 101 10.770 -0.191 -5.180 789 3HD1 LEU 101 3HD1 LEU 101 11.735 -0.727 -3.807 790 1HD2 LEU 101 1HD2 LEU 101 10.138 -3.794 -3.899 791 2HD2 LEU 101 2HD2 LEU 101 11.524 -3.022 -3.133 792 3HD2 LEU 101 3HD2 LEU 101 11.774 -4.213 -4.407 793 H LYS 102 H LYS 102 9.966 -1.918 -8.991 794 HA LYS 102 HA LYS 102 11.888 0.200 -9.001 795 1HB LYS 102 1HB LYS 102 10.958 -1.580 -11.264 796 2HB LYS 102 2HB LYS 102 12.344 -0.505 -11.323 797 1HG LYS 102 1HG LYS 102 12.007 -3.056 -9.803 798 2HG LYS 102 2HG LYS 102 13.285 -2.584 -10.921 799 1HD LYS 102 1HD LYS 102 12.841 -1.476 -8.145 800 2HD LYS 102 2HD LYS 102 14.102 -2.613 -8.623 801 1HE LYS 102 1HE LYS 102 13.787 0.198 -9.676 802 2HE LYS 102 2HE LYS 102 14.935 -0.305 -8.435 803 1HZ LYS 102 1HZ LYS 102 14.880 -1.278 -11.243 804 2HZ LYS 102 2HZ LYS 102 15.972 -1.780 -10.053 805 3HZ LYS 102 3HZ LYS 102 15.993 -0.179 -10.594 806 H ALA 103 H ALA 103 8.573 -0.106 -9.865 807 HA ALA 103 HA ALA 103 8.606 2.181 -11.630 808 1HB ALA 103 1HB ALA 103 7.009 0.384 -12.050 809 2HB ALA 103 2HB ALA 103 6.181 1.910 -11.738 810 3HB ALA 103 3HB ALA 103 6.262 0.676 -10.479 811 H LEU 104 H LEU 104 7.582 1.463 -8.301 812 HA LEU 104 HA LEU 104 6.524 4.064 -7.876 813 1HB LEU 104 1HB LEU 104 6.325 3.510 -5.595 814 2HB LEU 104 2HB LEU 104 6.024 2.025 -6.466 815 HG LEU 104 HG LEU 104 8.515 1.487 -5.971 816 1HD1 LEU 104 1HD1 LEU 104 9.608 3.140 -4.965 817 2HD1 LEU 104 2HD1 LEU 104 8.741 2.646 -3.507 818 3HD1 LEU 104 3HD1 LEU 104 8.121 3.963 -4.502 819 1HD2 LEU 104 1HD2 LEU 104 7.889 0.322 -4.043 820 2HD2 LEU 104 2HD2 LEU 104 6.396 0.486 -4.969 821 3HD2 LEU 104 3HD2 LEU 104 6.696 1.542 -3.590 822 H GLN 105 H GLN 105 9.692 2.556 -7.396 823 HA GLN 105 HA GLN 105 10.848 4.827 -6.149 824 1HB GLN 105 1HB GLN 105 12.126 3.050 -5.672 825 2HB GLN 105 2HB GLN 105 11.822 2.254 -7.215 826 1HG GLN 105 1HG GLN 105 14.141 2.797 -7.068 827 2HG GLN 105 2HG GLN 105 13.401 3.853 -8.273 828 1HE2 GLN 105 1HE2 GLN 105 15.134 5.305 -8.029 829 2HE2 GLN 105 2HE2 GLN 105 15.234 6.367 -6.670 830 H GLU 106 H GLU 106 11.070 3.603 -9.527 831 HA GLU 106 HA GLU 106 12.638 5.659 -10.520 832 1HB GLU 106 1HB GLU 106 11.791 5.167 -12.703 833 2HB GLU 106 2HB GLU 106 11.870 3.646 -11.823 834 1HG GLU 106 1HG GLU 106 9.509 3.703 -11.423 835 2HG GLU 106 2HG GLU 106 9.380 5.296 -12.161 836 H LYS 107 H LYS 107 9.225 5.536 -9.754 837 HA LYS 107 HA LYS 107 8.509 8.023 -10.873 838 1HB LYS 107 1HB LYS 107 6.761 6.523 -10.347 839 2HB LYS 107 2HB LYS 107 7.336 6.297 -8.703 840 1HG LYS 107 1HG LYS 107 6.740 8.697 -8.272 841 2HG LYS 107 2HG LYS 107 5.962 8.709 -9.856 842 1HD LYS 107 1HD LYS 107 4.313 8.271 -8.138 843 2HD LYS 107 2HD LYS 107 4.532 6.832 -9.136 844 1HE LYS 107 1HE LYS 107 6.104 5.962 -7.402 845 2HE LYS 107 2HE LYS 107 5.677 7.342 -6.393 846 1HZ LYS 107 1HZ LYS 107 4.397 5.393 -5.793 847 2HZ LYS 107 2HZ LYS 107 3.800 5.257 -7.369 848 3HZ LYS 107 3HZ LYS 107 3.376 6.590 -6.418 849 H VAL 108 H VAL 108 9.655 7.104 -7.609 850 HA VAL 108 HA VAL 108 9.352 9.656 -6.464 851 HB VAL 108 HB VAL 108 10.469 8.925 -4.610 852 1HG1 VAL 108 1HG1 VAL 108 9.962 6.654 -4.170 853 2HG1 VAL 108 2HG1 VAL 108 9.927 6.279 -5.890 854 3HG1 VAL 108 3HG1 VAL 108 8.694 7.328 -5.193 855 1HG2 VAL 108 1HG2 VAL 108 12.682 8.722 -5.232 856 2HG2 VAL 108 2HG2 VAL 108 12.329 7.526 -6.478 857 3HG2 VAL 108 3HG2 VAL 108 12.267 7.068 -4.776 858 H GLU 109 H GLU 109 11.915 8.308 -8.470 859 HA GLU 109 HA GLU 109 13.758 10.443 -7.976 860 1HB GLU 109 1HB GLU 109 14.110 9.275 -10.599 861 2HB GLU 109 2HB GLU 109 15.186 9.243 -9.211 862 1HG GLU 109 1HG GLU 109 13.960 7.324 -8.320 863 2HG GLU 109 2HG GLU 109 12.907 7.360 -9.733 864 H ILE 110 H ILE 110 11.585 9.696 -10.694 865 HA ILE 110 HA ILE 110 12.055 11.894 -12.285 866 HB ILE 110 HB ILE 110 9.682 10.160 -11.844 867 1HG1 ILE 110 1HG1 ILE 110 9.994 9.724 -14.249 868 2HG1 ILE 110 2HG1 ILE 110 11.285 10.917 -14.291 869 1HG2 ILE 110 1HG2 ILE 110 9.597 12.719 -13.427 870 2HG2 ILE 110 2HG2 ILE 110 8.581 12.272 -12.056 871 3HG2 ILE 110 3HG2 ILE 110 8.421 11.415 -13.588 872 1HD1 ILE 110 1HD1 ILE 110 12.460 9.472 -12.571 873 2HD1 ILE 110 2HD1 ILE 110 12.346 8.840 -14.214 874 3HD1 ILE 110 3HD1 ILE 110 11.261 8.238 -12.960 875 H LYS 111 H LYS 111 9.833 11.615 -9.549 876 HA LYS 111 HA LYS 111 9.481 14.537 -9.572 877 1HB LYS 111 1HB LYS 111 7.761 12.260 -8.717 878 2HB LYS 111 2HB LYS 111 7.639 13.750 -7.796 879 1HG LYS 111 1HG LYS 111 7.426 14.783 -10.231 880 2HG LYS 111 2HG LYS 111 6.819 13.161 -10.574 881 1HD LYS 111 1HD LYS 111 5.797 14.931 -8.355 882 2HD LYS 111 2HD LYS 111 5.043 14.794 -9.947 883 1HE LYS 111 1HE LYS 111 4.840 12.323 -9.523 884 2HE LYS 111 2HE LYS 111 5.366 12.633 -7.868 885 1HZ LYS 111 1HZ LYS 111 3.457 14.136 -7.620 886 2HZ LYS 111 2HZ LYS 111 2.980 12.551 -7.963 887 3HZ LYS 111 3HZ LYS 111 2.934 13.729 -9.177 888 H GLN 112 H GLN 112 8.537 14.583 -6.841 889 HA GLN 112 HA GLN 112 11.105 14.508 -5.489 890 1HB GLN 112 1HB GLN 112 8.436 15.698 -4.746 891 2HB GLN 112 2HB GLN 112 9.832 15.723 -3.675 892 1HG GLN 112 1HG GLN 112 9.636 17.009 -6.389 893 2HG GLN 112 2HG GLN 112 9.596 17.833 -4.833 894 1HE2 GLN 112 1HE2 GLN 112 11.652 16.096 -3.691 895 2HE2 GLN 112 2HE2 GLN 112 13.149 16.613 -4.381 896 H LEU 113 H LEU 113 9.001 14.345 -3.051 897 HA LEU 113 HA LEU 113 8.251 12.732 -1.637 898 1HB LEU 113 1HB LEU 113 8.341 11.052 -4.130 899 2HB LEU 113 2HB LEU 113 7.653 10.528 -2.607 900 HG LEU 113 HG LEU 113 5.939 11.237 -4.133 901 1HD1 LEU 113 1HD1 LEU 113 6.196 13.292 -1.955 902 2HD1 LEU 113 2HD1 LEU 113 5.732 11.617 -1.666 903 3HD1 LEU 113 3HD1 LEU 113 4.710 12.655 -2.657 904 1HD2 LEU 113 1HD2 LEU 113 7.137 13.986 -4.071 905 2HD2 LEU 113 2HD2 LEU 113 5.689 13.475 -4.939 906 3HD2 LEU 113 3HD2 LEU 113 7.269 12.862 -5.424 907 H ASN 114 H ASN 114 11.224 13.045 -2.438 908 HA ASN 114 HA ASN 114 12.523 10.603 -2.241 909 1HB ASN 114 1HB ASN 114 13.461 13.227 -1.056 910 2HB ASN 114 2HB ASN 114 14.471 11.837 -1.446 911 1HD2 ASN 114 1HD2 ASN 114 15.751 12.986 -2.857 912 2HD2 ASN 114 2HD2 ASN 114 15.192 13.513 -4.404 913 H HIS 115 H HIS 115 11.045 12.581 0.247 914 HA HIS 115 HA HIS 115 12.107 11.376 2.533 915 1HB HIS 115 1HB HIS 115 9.313 12.468 2.115 916 2HB HIS 115 2HB HIS 115 10.061 12.145 3.676 917 HD1 HIS 115 HD1 HIS 115 12.084 13.753 0.983 918 HD2 HIS 115 HD2 HIS 115 9.942 14.867 4.365 919 HE1 HIS 115 HE1 HIS 115 12.736 16.138 1.437 920 HE2 HIS 115 HE2 HIS 115 11.479 16.770 3.527 921 H PHE 116 H PHE 116 9.249 10.529 0.604 922 HA PHE 116 HA PHE 116 8.373 8.338 2.059 923 1HB PHE 116 1HB PHE 116 6.933 8.879 0.320 924 2HB PHE 116 2HB PHE 116 8.243 9.107 -0.831 925 HD1 PHE 116 HD1 PHE 116 6.836 6.325 1.237 926 HD2 PHE 116 HD2 PHE 116 8.341 7.601 -2.533 927 HE1 PHE 116 HE1 PHE 116 6.415 4.082 0.314 928 HE2 PHE 116 HE2 PHE 116 7.923 5.365 -3.462 929 HZ PHE 116 HZ PHE 116 6.960 3.601 -2.039 930 H TRP 117 H TRP 117 10.669 8.445 -0.649 931 HA TRP 117 HA TRP 117 11.477 5.813 -0.669 932 1HB TRP 117 1HB TRP 117 12.293 7.233 -2.389 933 2HB TRP 117 2HB TRP 117 12.998 8.356 -1.235 934 HD1 TRP 117 HD1 TRP 117 15.516 8.105 -0.862 935 HE1 TRP 117 HE1 TRP 117 17.278 6.290 -1.339 936 HE3 TRP 117 HE3 TRP 117 12.427 4.395 -2.538 937 HZ2 TRP 117 HZ2 TRP 117 17.349 3.640 -2.300 938 HZ3 TRP 117 HZ3 TRP 117 13.422 2.250 -3.218 939 HH2 TRP 117 HH2 TRP 117 15.832 1.881 -3.100 940 H GLU 118 H GLU 118 12.570 8.468 1.394 941 HA GLU 118 HA GLU 118 14.692 7.256 2.686 942 1HB GLU 118 1HB GLU 118 12.691 9.172 3.892 943 2HB GLU 118 2HB GLU 118 14.265 8.792 4.562 944 1HG GLU 118 1HG GLU 118 13.687 10.215 1.983 945 2HG GLU 118 2HG GLU 118 14.388 10.894 3.447 946 H ILE 119 H ILE 119 11.279 7.334 3.853 947 HA ILE 119 HA ILE 119 11.805 5.624 6.032 948 HB ILE 119 HB ILE 119 9.428 5.203 6.207 949 1HG1 ILE 119 1HG1 ILE 119 9.244 6.547 3.509 950 2HG1 ILE 119 2HG1 ILE 119 8.839 4.872 3.882 951 1HG2 ILE 119 1HG2 ILE 119 8.673 7.481 6.508 952 2HG2 ILE 119 2HG2 ILE 119 9.964 8.072 5.459 953 3HG2 ILE 119 3HG2 ILE 119 10.358 7.328 7.008 954 1HD1 ILE 119 1HD1 ILE 119 7.403 7.340 4.819 955 2HD1 ILE 119 2HD1 ILE 119 7.042 5.700 5.355 956 3HD1 ILE 119 3HD1 ILE 119 6.829 6.140 3.660 957 H VAL 120 H VAL 120 11.016 4.879 2.648 958 HA VAL 120 HA VAL 120 10.584 2.123 3.120 959 HB VAL 120 HB VAL 120 10.215 1.915 0.943 960 1HG1 VAL 120 1HG1 VAL 120 9.328 4.153 1.276 961 2HG1 VAL 120 2HG1 VAL 120 9.909 3.920 -0.373 962 3HG1 VAL 120 3HG1 VAL 120 10.874 4.836 0.780 963 1HG2 VAL 120 1HG2 VAL 120 11.809 2.444 -0.820 964 2HG2 VAL 120 2HG2 VAL 120 12.552 1.521 0.486 965 3HG2 VAL 120 3HG2 VAL 120 12.843 3.256 0.358 966 H VAL 121 H VAL 121 13.527 4.029 2.709 967 HA VAL 121 HA VAL 121 15.256 1.769 2.491 968 HB VAL 121 HB VAL 121 17.009 3.194 2.414 969 1HG1 VAL 121 1HG1 VAL 121 14.914 5.335 2.282 970 2HG1 VAL 121 2HG1 VAL 121 15.247 4.200 0.976 971 3HG1 VAL 121 3HG1 VAL 121 16.497 5.324 1.510 972 1HG2 VAL 121 1HG2 VAL 121 17.244 5.219 3.869 973 2HG2 VAL 121 2HG2 VAL 121 17.152 3.679 4.726 974 3HG2 VAL 121 3HG2 VAL 121 15.744 4.736 4.661 975 H GLN 122 H GLN 122 13.946 3.677 5.082 976 HA GLN 122 HA GLN 122 15.413 2.446 7.191 977 1HB GLN 122 1HB GLN 122 14.538 4.611 7.605 978 2HB GLN 122 2HB GLN 122 12.931 4.151 7.066 979 1HG GLN 122 1HG GLN 122 12.491 2.963 9.014 980 2HG GLN 122 2HG GLN 122 14.192 2.907 9.474 981 1HE2 GLN 122 1HE2 GLN 122 12.602 5.770 8.265 982 2HE2 GLN 122 2HE2 GLN 122 12.649 6.662 9.743 983 H ASP 123 H ASP 123 12.696 1.599 5.308 984 HA ASP 123 HA ASP 123 11.908 -0.514 7.194 985 1HB ASP 123 1HB ASP 123 10.467 0.876 4.946 986 2HB ASP 123 2HB ASP 123 9.900 -0.671 5.568 987 H GLY 124 H GLY 124 13.792 -0.037 4.488 988 1HA GLY 124 1HA GLY 124 14.794 -1.492 3.010 989 2HA GLY 124 2HA GLY 124 14.254 -2.795 4.065 990 H ILE 125 H ILE 125 13.099 -0.559 1.568 991 HA ILE 125 HA ILE 125 11.222 -2.653 0.686 992 HB ILE 125 HB ILE 125 10.759 0.306 0.405 993 1HG1 ILE 125 1HG1 ILE 125 10.862 -0.270 2.791 994 2HG1 ILE 125 2HG1 ILE 125 9.224 0.148 2.305 995 1HG2 ILE 125 1HG2 ILE 125 9.520 -1.028 -1.174 996 2HG2 ILE 125 2HG2 ILE 125 8.424 -0.374 0.046 997 3HG2 ILE 125 3HG2 ILE 125 8.926 -2.065 0.123 998 1HD1 ILE 125 1HD1 ILE 125 10.273 -2.647 2.668 999 2HD1 ILE 125 2HD1 ILE 125 8.622 -2.199 2.242 1000 3HD1 ILE 125 3HD1 ILE 125 9.276 -1.761 3.820 1001 H THR 126 H THR 126 13.601 -2.863 -0.515 1002 HA THR 126 HA THR 126 13.001 -1.915 -3.208 1003 HB THR 126 HB THR 126 15.813 -1.637 -2.205 1004 HG1 THR 126 HG1 THR 126 14.117 -0.205 -1.163 1005 1HG2 THR 126 1HG2 THR 126 14.304 -0.632 -4.609 1006 2HG2 THR 126 2HG2 THR 126 15.631 -1.796 -4.584 1007 3HG2 THR 126 3HG2 THR 126 15.931 -0.104 -4.180 1008 H LEU 127 H LEU 127 13.852 -3.148 -4.876 1009 HA LEU 127 HA LEU 127 14.320 -5.084 -5.932 1010 1HB LEU 127 1HB LEU 127 16.461 -5.835 -5.730 1011 2HB LEU 127 2HB LEU 127 16.601 -4.302 -4.902 1012 HG LEU 127 HG LEU 127 16.166 -5.730 -2.753 1013 1HD1 LEU 127 1HD1 LEU 127 16.051 -7.752 -4.637 1014 2HD1 LEU 127 2HD1 LEU 127 16.261 -7.954 -2.899 1015 3HD1 LEU 127 3HD1 LEU 127 17.670 -7.896 -3.957 1016 1HD2 LEU 127 1HD2 LEU 127 18.206 -4.793 -2.667 1017 2HD2 LEU 127 2HD2 LEU 127 18.622 -5.273 -4.311 1018 3HD2 LEU 127 3HD2 LEU 127 18.730 -6.441 -2.995 1019 H ILE 128 H ILE 128 14.372 -7.487 -5.795 1020 HA ILE 128 HA ILE 128 12.368 -8.366 -3.943 1021 HB ILE 128 HB ILE 128 14.001 -10.117 -5.771 1022 1HG1 ILE 128 1HG1 ILE 128 13.022 -8.352 -7.128 1023 2HG1 ILE 128 2HG1 ILE 128 12.153 -9.855 -7.410 1024 1HG2 ILE 128 1HG2 ILE 128 12.434 -10.945 -3.837 1025 2HG2 ILE 128 2HG2 ILE 128 12.457 -11.765 -5.402 1026 3HG2 ILE 128 3HG2 ILE 128 11.164 -10.623 -5.023 1027 1HD1 ILE 128 1HD1 ILE 128 11.242 -7.577 -5.672 1028 2HD1 ILE 128 2HD1 ILE 128 10.371 -9.090 -5.919 1029 3HD1 ILE 128 3HD1 ILE 128 10.625 -7.988 -7.273 1030 H THR 129 H THR 129 12.919 -8.606 -1.900 1031 HA THR 129 HA THR 129 15.469 -9.117 -0.935 1032 HB THR 129 HB THR 129 14.507 -9.398 1.218 1033 HG1 THR 129 HG1 THR 129 12.364 -9.965 1.523 1034 1HG2 THR 129 1HG2 THR 129 13.097 -7.474 1.408 1035 2HG2 THR 129 2HG2 THR 129 12.620 -7.594 -0.286 1036 3HG2 THR 129 3HG2 THR 129 14.274 -7.157 0.135 1037 H LYS 130 H LYS 130 16.245 -10.831 -2.224 1038 HA LYS 130 HA LYS 130 16.610 -13.211 -1.013 1039 1HB LYS 130 1HB LYS 130 15.200 -14.811 -2.343 1040 2HB LYS 130 2HB LYS 130 14.324 -13.859 -1.155 1041 1HG LYS 130 1HG LYS 130 13.676 -12.315 -3.026 1042 2HG LYS 130 2HG LYS 130 14.368 -13.503 -4.136 1043 1HD LYS 130 1HD LYS 130 12.008 -13.900 -3.994 1044 2HD LYS 130 2HD LYS 130 12.839 -15.208 -3.150 1045 1HE LYS 130 1HE LYS 130 12.414 -14.071 -1.009 1046 2HE LYS 130 2HE LYS 130 11.543 -12.802 -1.872 1047 1HZ LYS 130 1HZ LYS 130 10.783 -15.672 -1.840 1048 2HZ LYS 130 2HZ LYS 130 9.928 -14.423 -2.594 1049 3HZ LYS 130 3HZ LYS 130 10.054 -14.464 -0.908 1050 H GLU 131 H GLU 131 15.624 -12.489 -4.362 1051 HA GLU 131 HA GLU 131 18.080 -12.110 -5.497 1052 1HB GLU 131 1HB GLU 131 18.496 -14.405 -6.521 1053 2HB GLU 131 2HB GLU 131 18.877 -14.243 -4.812 1054 1HG GLU 131 1HG GLU 131 16.631 -15.219 -4.304 1055 2HG GLU 131 2HG GLU 131 16.459 -15.548 -6.030 1056 H GLU 132 H GLU 132 15.538 -11.190 -5.966 1057 HA GLU 132 HA GLU 132 14.073 -10.706 -7.639 1058 1HB GLU 132 1HB GLU 132 16.071 -12.160 -9.384 1059 2HB GLU 132 2HB GLU 132 14.776 -11.119 -9.957 1060 1HG GLU 132 1HG GLU 132 15.803 -9.216 -8.814 1061 2HG GLU 132 2HG GLU 132 17.109 -10.266 -8.254 1062 H ALA 133 H ALA 133 13.930 -13.220 -6.114 1063 HA ALA 133 HA ALA 133 12.556 -14.982 -8.022 1064 1HB ALA 133 1HB ALA 133 12.738 -16.701 -6.291 1065 2HB ALA 133 2HB ALA 133 13.502 -15.532 -5.213 1066 3HB ALA 133 3HB ALA 133 14.316 -16.026 -6.696 1067 H SER 134 H SER 134 10.968 -16.355 -6.164 1068 HA SER 134 HA SER 134 9.088 -14.282 -5.248 1069 1HB SER 134 1HB SER 134 7.226 -15.719 -5.949 1070 2HB SER 134 2HB SER 134 8.260 -15.326 -7.321 1071 HG SER 134 HG SER 134 9.067 -17.590 -6.055 1072 H GLY 135 H GLY 135 10.643 -17.329 -4.695 1073 1HA GLY 135 1HA GLY 135 9.759 -17.262 -1.917 1074 2HA GLY 135 2HA GLY 135 9.335 -18.697 -2.838 1075 H SER 136 H SER 136 11.799 -17.037 -1.126 1076 HA SER 136 HA SER 136 13.603 -19.314 -1.561 1077 1HB SER 136 1HB SER 136 14.436 -16.404 -1.484 1078 2HB SER 136 2HB SER 136 15.535 -17.779 -1.565 1079 HG SER 136 HG SER 136 14.496 -18.329 -3.569 1080 H SER 137 H SER 137 15.582 -18.865 0.129 1081 HA SER 137 HA SER 137 14.241 -18.655 2.738 1082 1HB SER 137 1HB SER 137 15.248 -20.847 2.262 1083 2HB SER 137 2HB SER 137 16.814 -20.075 2.007 1084 HG SER 137 HG SER 137 16.734 -20.846 4.102 1085 H VAL 138 H VAL 138 15.909 -16.731 0.791 1086 HA VAL 138 HA VAL 138 17.957 -15.745 2.545 1087 HB VAL 138 HB VAL 138 16.777 -14.394 0.119 1088 1HG1 VAL 138 1HG1 VAL 138 19.428 -14.041 1.514 1089 2HG1 VAL 138 2HG1 VAL 138 18.083 -12.899 1.523 1090 3HG1 VAL 138 3HG1 VAL 138 18.942 -13.240 0.020 1091 1HG2 VAL 138 1HG2 VAL 138 17.556 -16.614 -0.478 1092 2HG2 VAL 138 2HG2 VAL 138 19.105 -16.303 0.306 1093 3HG2 VAL 138 3HG2 VAL 138 18.645 -15.389 -1.131 1094 H THR 139 H THR 139 18.001 -13.697 3.577 1095 HA THR 139 HA THR 139 15.409 -12.917 4.635 1096 HB THR 139 HB THR 139 16.511 -11.923 6.410 1097 HG1 THR 139 HG1 THR 139 18.777 -11.674 4.700 1098 1HG2 THR 139 1HG2 THR 139 18.391 -14.063 5.411 1099 2HG2 THR 139 2HG2 THR 139 17.017 -14.279 6.497 1100 3HG2 THR 139 3HG2 THR 139 18.434 -13.374 7.033 1101 H ALA 140 H ALA 140 15.697 -10.360 5.322 1102 HA ALA 140 HA ALA 140 15.125 -8.940 2.924 1103 1HB ALA 140 1HB ALA 140 14.685 -7.051 4.366 1104 2HB ALA 140 2HB ALA 140 15.474 -7.867 5.717 1105 3HB ALA 140 3HB ALA 140 13.971 -8.510 5.053 1106 H GLU 141 H GLU 141 18.023 -9.658 4.447 1107 HA GLU 141 HA GLU 141 19.605 -7.473 4.496 1108 1HB GLU 141 1HB GLU 141 20.234 -10.237 3.507 1109 2HB GLU 141 2HB GLU 141 21.472 -8.996 3.663 1110 1HG GLU 141 1HG GLU 141 20.974 -8.778 6.028 1111 2HG GLU 141 2HG GLU 141 19.705 -9.991 5.882 1112 H GLU 142 H GLU 142 18.704 -9.220 1.517 1113 HA GLU 142 HA GLU 142 20.330 -7.865 -0.276 1114 1HB GLU 142 1HB GLU 142 17.467 -8.740 -0.753 1115 2HB GLU 142 2HB GLU 142 18.662 -8.395 -1.997 1116 1HG GLU 142 1HG GLU 142 18.823 -10.614 0.029 1117 2HG GLU 142 2HG GLU 142 18.375 -10.787 -1.667 1118 H ALA 143 H ALA 143 16.998 -7.046 0.653 1119 HA ALA 143 HA ALA 143 16.857 -4.591 -0.664 1120 1HB ALA 143 1HB ALA 143 14.864 -5.597 0.203 1121 2HB ALA 143 2HB ALA 143 15.085 -4.049 1.024 1122 3HB ALA 143 3HB ALA 143 15.498 -5.553 1.851 1123 H LYS 144 H LYS 144 17.607 -5.275 2.743 1124 HA LYS 144 HA LYS 144 18.208 -2.781 3.671 1125 1HB LYS 144 1HB LYS 144 19.649 -5.366 4.292 1126 2HB LYS 144 2HB LYS 144 19.779 -3.895 5.247 1127 1HG LYS 144 1HG LYS 144 17.492 -4.017 5.893 1128 2HG LYS 144 2HG LYS 144 17.179 -5.323 4.748 1129 1HD LYS 144 1HD LYS 144 17.365 -6.209 7.000 1130 2HD LYS 144 2HD LYS 144 18.712 -6.774 6.010 1131 1HE LYS 144 1HE LYS 144 20.157 -5.071 6.993 1132 2HE LYS 144 2HE LYS 144 18.809 -4.473 7.960 1133 1HZ LYS 144 1HZ LYS 144 20.255 -5.930 9.239 1134 2HZ LYS 144 2HZ LYS 144 19.990 -7.193 8.146 1135 3HZ LYS 144 3HZ LYS 144 18.712 -6.606 9.084 1136 H LYS 145 H LYS 145 20.063 -4.734 1.458 1137 HA LYS 145 HA LYS 145 22.420 -3.077 1.708 1138 1HB LYS 145 1HB LYS 145 23.473 -4.821 0.794 1139 2HB LYS 145 2HB LYS 145 21.948 -5.683 0.874 1140 1HG LYS 145 1HG LYS 145 22.525 -5.999 -1.313 1141 2HG LYS 145 2HG LYS 145 21.522 -4.555 -1.445 1142 1HD LYS 145 1HD LYS 145 23.694 -3.232 -1.223 1143 2HD LYS 145 2HD LYS 145 24.523 -4.763 -1.508 1144 1HE LYS 145 1HE LYS 145 22.527 -3.453 -3.349 1145 2HE LYS 145 2HE LYS 145 24.274 -3.494 -3.576 1146 1HZ LYS 145 1HZ LYS 145 24.153 -5.910 -3.721 1147 2HZ LYS 145 2HZ LYS 145 23.190 -5.181 -4.904 1148 3HZ LYS 145 3HZ LYS 145 22.473 -5.856 -3.529 1149 H PHE 146 H PHE 146 19.731 -3.457 -0.584 1150 HA PHE 146 HA PHE 146 20.811 -1.813 -2.606 1151 1HB PHE 146 1HB PHE 146 18.799 -3.375 -2.755 1152 2HB PHE 146 2HB PHE 146 17.859 -2.045 -2.089 1153 HD1 PHE 146 HD1 PHE 146 18.550 -3.643 -4.990 1154 HD2 PHE 146 HD2 PHE 146 18.588 0.304 -3.411 1155 HE1 PHE 146 HE1 PHE 146 18.303 -2.738 -7.258 1156 HE2 PHE 146 HE2 PHE 146 18.338 1.218 -5.677 1157 HZ PHE 146 HZ PHE 146 18.194 -0.303 -7.609 1158 H LEU 147 H LEU 147 18.474 -1.018 -0.023 1159 HA LEU 147 HA LEU 147 18.699 1.796 -0.711 1160 1HB LEU 147 1HB LEU 147 17.031 2.039 1.215 1161 2HB LEU 147 2HB LEU 147 16.491 1.293 -0.267 1162 HG LEU 147 HG LEU 147 15.750 0.284 1.981 1163 1HD1 LEU 147 1HD1 LEU 147 15.915 -2.024 1.027 1164 2HD1 LEU 147 2HD1 LEU 147 16.877 -1.329 -0.278 1165 3HD1 LEU 147 3HD1 LEU 147 15.213 -0.802 -0.031 1166 1HD2 LEU 147 1HD2 LEU 147 18.496 -0.944 1.801 1167 2HD2 LEU 147 2HD2 LEU 147 17.222 -1.382 2.941 1168 3HD2 LEU 147 3HD2 LEU 147 17.968 0.213 3.023 1169 H ALA 148 H ALA 148 20.969 0.316 0.480 1170 HA ALA 148 HA ALA 148 21.275 1.183 3.174 1171 1HB ALA 148 1HB ALA 148 23.378 0.320 1.190 1172 2HB ALA 148 2HB ALA 148 22.494 -0.742 2.287 1173 3HB ALA 148 3HB ALA 148 23.598 0.473 2.933 1174 HA PRO 149 HA PRO 149 22.625 5.337 2.434 1175 1HB PRO 149 1HB PRO 149 24.027 5.475 4.923 1176 2HB PRO 149 2HB PRO 149 22.413 6.075 4.551 1177 1HG PRO 149 1HG PRO 149 22.952 3.984 6.269 1178 2HG PRO 149 2HG PRO 149 21.400 4.254 5.460 1179 1HD PRO 149 1HD PRO 149 23.604 2.364 4.755 1180 2HD PRO 149 2HD PRO 149 21.845 2.141 4.645 1181 H LYS 150 H LYS 150 24.991 2.958 3.488 1182 HA LYS 150 HA LYS 150 27.312 4.490 3.057 1183 1HB LYS 150 1HB LYS 150 28.453 2.253 2.899 1184 2HB LYS 150 2HB LYS 150 27.492 2.497 4.351 1185 1HG LYS 150 1HG LYS 150 25.700 1.156 3.432 1186 2HG LYS 150 2HG LYS 150 26.585 0.975 1.916 1187 1HD LYS 150 1HD LYS 150 26.870 -1.024 3.225 1188 2HD LYS 150 2HD LYS 150 28.405 -0.154 3.174 1189 1HE LYS 150 1HE LYS 150 27.919 0.789 5.394 1190 2HE LYS 150 2HE LYS 150 26.413 -0.126 5.440 1191 1HZ LYS 150 1HZ LYS 150 27.704 -2.171 5.313 1192 2HZ LYS 150 2HZ LYS 150 28.156 -1.255 6.661 1193 3HZ LYS 150 3HZ LYS 150 29.146 -1.285 5.290 1194 H ASP 151 H ASP 151 28.572 4.843 1.297 1195 HA ASP 151 HA ASP 151 27.641 3.730 -1.268 1196 1HB ASP 151 1HB ASP 151 28.691 6.510 -0.711 1197 2HB ASP 151 2HB ASP 151 28.379 5.866 -2.321 1198 H LYS 152 H LYS 152 30.300 4.494 0.809 1199 HA LYS 152 HA LYS 152 32.047 2.751 -0.597 1200 1HB LYS 152 1HB LYS 152 33.778 4.543 -1.099 1201 2HB LYS 152 2HB LYS 152 32.377 4.488 -2.160 1202 1HG LYS 152 1HG LYS 152 31.437 6.267 -0.471 1203 2HG LYS 152 2HG LYS 152 33.150 6.526 -0.139 1204 1HD LYS 152 1HD LYS 152 33.500 6.820 -2.597 1205 2HD LYS 152 2HD LYS 152 31.746 6.753 -2.797 1206 1HE LYS 152 1HE LYS 152 31.527 8.690 -1.291 1207 2HE LYS 152 2HE LYS 152 33.283 8.773 -1.165 1208 1HZ LYS 152 1HZ LYS 152 31.695 9.121 -3.650 1209 2HZ LYS 152 2HZ LYS 152 33.384 9.155 -3.561 1210 3HZ LYS 152 3HZ LYS 152 32.473 10.349 -2.783 Start of MODEL 5 1 1H MET 1 1H MET 1 -55.978 -3.688 -10.965 2 2H MET 1 2H MET 1 -54.761 -4.607 -11.696 3 3H MET 1 3H MET 1 -55.195 -4.904 -10.088 4 HA MET 1 HA MET 1 -56.095 -6.586 -11.556 5 1HB MET 1 1HB MET 1 -58.173 -4.730 -10.379 6 2HB MET 1 2HB MET 1 -58.453 -6.405 -10.837 7 1HG MET 1 1HG MET 1 -56.546 -5.456 -8.710 8 2HG MET 1 2HG MET 1 -58.139 -6.161 -8.435 9 1HE MET 1 1HE MET 1 -55.738 -8.989 -7.196 10 2HE MET 1 2HE MET 1 -57.204 -8.083 -6.823 11 3HE MET 1 3HE MET 1 -55.659 -7.243 -6.959 12 H HIS 2 H HIS 2 -56.163 -6.776 -13.698 13 HA HIS 2 HA HIS 2 -57.353 -4.696 -15.341 14 1HB HIS 2 1HB HIS 2 -56.108 -7.322 -16.187 15 2HB HIS 2 2HB HIS 2 -56.493 -5.960 -17.232 16 HD1 HIS 2 HD1 HIS 2 -54.746 -4.171 -17.475 17 HD2 HIS 2 HD2 HIS 2 -53.913 -6.814 -14.379 18 HE1 HIS 2 HE1 HIS 2 -52.418 -3.601 -16.711 19 HE2 HIS 2 HE2 HIS 2 -51.904 -5.270 -14.897 20 H HIS 3 H HIS 3 -58.585 -7.126 -13.597 21 HA HIS 3 HA HIS 3 -60.551 -8.257 -13.570 22 1HB HIS 3 1HB HIS 3 -61.263 -6.442 -15.883 23 2HB HIS 3 2HB HIS 3 -62.400 -7.430 -14.971 24 HD1 HIS 3 HD1 HIS 3 -61.481 -4.086 -15.214 25 HD2 HIS 3 HD2 HIS 3 -61.978 -6.648 -11.982 26 HE1 HIS 3 HE1 HIS 3 -61.860 -2.594 -13.226 27 HE2 HIS 3 HE2 HIS 3 -62.062 -4.164 -11.268 28 H HIS 4 H HIS 4 -58.308 -8.635 -15.827 29 HA HIS 4 HA HIS 4 -57.832 -10.159 -17.445 30 1HB HIS 4 1HB HIS 4 -58.326 -11.718 -15.617 31 2HB HIS 4 2HB HIS 4 -60.029 -11.711 -16.062 32 HD1 HIS 4 HD1 HIS 4 -60.752 -13.394 -17.760 33 HD2 HIS 4 HD2 HIS 4 -56.624 -12.931 -17.653 34 HE1 HIS 4 HE1 HIS 4 -59.835 -15.192 -19.258 35 HE2 HIS 4 HE2 HIS 4 -57.333 -14.913 -19.157 36 H HIS 5 H HIS 5 -58.420 -9.088 -19.305 37 HA HIS 5 HA HIS 5 -61.175 -9.169 -20.203 38 1HB HIS 5 1HB HIS 5 -58.679 -7.939 -21.371 39 2HB HIS 5 2HB HIS 5 -60.232 -7.923 -22.202 40 HD1 HIS 5 HD1 HIS 5 -58.301 -6.208 -19.580 41 HD2 HIS 5 HD2 HIS 5 -62.244 -6.350 -20.883 42 HE1 HIS 5 HE1 HIS 5 -59.425 -4.211 -18.545 43 HE2 HIS 5 HE2 HIS 5 -61.831 -4.371 -19.271 44 H HIS 6 H HIS 6 -58.553 -9.527 -22.490 45 HA HIS 6 HA HIS 6 -59.150 -12.340 -22.930 46 1HB HIS 6 1HB HIS 6 -59.589 -10.241 -25.062 47 2HB HIS 6 2HB HIS 6 -59.583 -11.976 -25.352 48 HD1 HIS 6 HD1 HIS 6 -61.595 -13.342 -24.328 49 HD2 HIS 6 HD2 HIS 6 -61.947 -9.209 -24.073 50 HE1 HIS 6 HE1 HIS 6 -64.010 -12.906 -23.785 51 HE2 HIS 6 HE2 HIS 6 -64.220 -10.396 -23.730 52 H HIS 7 H HIS 7 -57.445 -9.511 -24.269 53 HA HIS 7 HA HIS 7 -55.401 -10.965 -25.538 54 1HB HIS 7 1HB HIS 7 -54.234 -8.856 -25.739 55 2HB HIS 7 2HB HIS 7 -55.952 -8.591 -26.020 56 HD1 HIS 7 HD1 HIS 7 -53.154 -7.389 -24.051 57 HD2 HIS 7 HD2 HIS 7 -57.291 -7.435 -23.667 58 HE1 HIS 7 HE1 HIS 7 -53.684 -5.663 -22.301 59 HE2 HIS 7 HE2 HIS 7 -56.190 -5.750 -22.042 60 H LYS 8 H LYS 8 -55.956 -10.360 -22.238 61 HA LYS 8 HA LYS 8 -53.375 -10.186 -21.202 62 1HB LYS 8 1HB LYS 8 -55.778 -11.556 -19.979 63 2HB LYS 8 2HB LYS 8 -54.333 -11.059 -19.110 64 1HG LYS 8 1HG LYS 8 -56.230 -9.201 -20.534 65 2HG LYS 8 2HG LYS 8 -56.200 -9.504 -18.796 66 1HD LYS 8 1HD LYS 8 -53.883 -8.398 -20.381 67 2HD LYS 8 2HD LYS 8 -55.029 -7.415 -19.467 68 1HE LYS 8 1HE LYS 8 -54.375 -8.579 -17.411 69 2HE LYS 8 2HE LYS 8 -53.226 -9.552 -18.329 70 1HZ LYS 8 1HZ LYS 8 -53.134 -6.597 -18.028 71 2HZ LYS 8 2HZ LYS 8 -52.030 -7.533 -18.903 72 3HZ LYS 8 3HZ LYS 8 -52.136 -7.703 -17.224 73 H LEU 9 H LEU 9 -51.802 -11.507 -21.894 74 HA LEU 9 HA LEU 9 -52.222 -14.277 -22.476 75 1HB LEU 9 1HB LEU 9 -49.647 -12.733 -22.144 76 2HB LEU 9 2HB LEU 9 -49.791 -14.343 -22.823 77 HG LEU 9 HG LEU 9 -51.107 -11.916 -24.037 78 1HD1 LEU 9 1HD1 LEU 9 -49.289 -11.941 -25.671 79 2HD1 LEU 9 2HD1 LEU 9 -48.487 -13.220 -24.761 80 3HD1 LEU 9 3HD1 LEU 9 -48.688 -11.621 -24.044 81 1HD2 LEU 9 1HD2 LEU 9 -51.233 -13.380 -26.021 82 2HD2 LEU 9 2HD2 LEU 9 -52.149 -14.009 -24.652 83 3HD2 LEU 9 3HD2 LEU 9 -50.579 -14.703 -25.056 84 H LYS 10 H LYS 10 -50.946 -16.017 -21.457 85 HA LYS 10 HA LYS 10 -51.299 -15.960 -18.608 86 1HB LYS 10 1HB LYS 10 -50.081 -18.099 -20.366 87 2HB LYS 10 2HB LYS 10 -50.555 -18.297 -18.685 88 1HG LYS 10 1HG LYS 10 -52.895 -17.798 -19.340 89 2HG LYS 10 2HG LYS 10 -52.371 -17.766 -21.025 90 1HD LYS 10 1HD LYS 10 -51.606 -20.084 -20.826 91 2HD LYS 10 2HD LYS 10 -52.131 -20.113 -19.141 92 1HE LYS 10 1HE LYS 10 -53.804 -21.177 -20.509 93 2HE LYS 10 2HE LYS 10 -54.440 -19.650 -19.897 94 1HZ LYS 10 1HZ LYS 10 -53.340 -20.108 -22.617 95 2HZ LYS 10 2HZ LYS 10 -53.920 -18.631 -22.033 96 3HZ LYS 10 3HZ LYS 10 -54.976 -19.937 -22.224 97 H THR 11 H THR 11 -49.766 -15.907 -17.024 98 HA THR 11 HA THR 11 -47.121 -14.987 -17.824 99 HB THR 11 HB THR 11 -46.788 -14.474 -15.438 100 HG1 THR 11 HG1 THR 11 -48.736 -16.220 -15.095 101 1HG2 THR 11 1HG2 THR 11 -47.848 -12.811 -16.908 102 2HG2 THR 11 2HG2 THR 11 -48.443 -12.695 -15.252 103 3HG2 THR 11 3HG2 THR 11 -49.433 -13.464 -16.492 104 H GLU 12 H GLU 12 -45.360 -16.221 -17.809 105 HA GLU 12 HA GLU 12 -45.180 -18.505 -16.017 106 1HB GLU 12 1HB GLU 12 -44.400 -19.958 -17.950 107 2HB GLU 12 2HB GLU 12 -46.123 -19.624 -17.873 108 1HG GLU 12 1HG GLU 12 -45.472 -19.437 -20.137 109 2HG GLU 12 2HG GLU 12 -45.761 -17.802 -19.545 110 H GLN 13 H GLN 13 -43.847 -15.812 -17.172 111 HA GLN 13 HA GLN 13 -41.161 -16.613 -17.694 112 1HB GLN 13 1HB GLN 13 -40.629 -14.238 -17.575 113 2HB GLN 13 2HB GLN 13 -42.080 -14.494 -18.535 114 1HG GLN 13 1HG GLN 13 -43.466 -13.816 -16.667 115 2HG GLN 13 2HG GLN 13 -42.034 -13.619 -15.657 116 1HE2 GLN 13 1HE2 GLN 13 -44.081 -11.679 -16.433 117 2HE2 GLN 13 2HE2 GLN 13 -43.239 -10.383 -17.202 118 H GLY 14 H GLY 14 -39.354 -15.542 -16.307 119 1HA GLY 14 1HA GLY 14 -39.793 -16.473 -13.557 120 2HA GLY 14 2HA GLY 14 -38.231 -16.276 -14.339 121 H GLY 15 H GLY 15 -37.342 -15.009 -12.724 122 1HA GLY 15 1HA GLY 15 -37.742 -12.227 -12.935 123 2HA GLY 15 2HA GLY 15 -38.557 -12.811 -11.491 124 H ALA 16 H ALA 16 -35.433 -12.628 -13.126 125 HA ALA 16 HA ALA 16 -34.057 -13.249 -10.622 126 1HB ALA 16 1HB ALA 16 -32.924 -12.828 -13.385 127 2HB ALA 16 2HB ALA 16 -33.318 -14.389 -12.665 128 3HB ALA 16 3HB ALA 16 -32.040 -13.395 -11.969 129 H HIS 17 H HIS 17 -33.399 -11.684 -9.321 130 HA HIS 17 HA HIS 17 -32.761 -9.665 -8.504 131 1HB HIS 17 1HB HIS 17 -31.754 -9.208 -11.321 132 2HB HIS 17 2HB HIS 17 -31.307 -8.262 -9.903 133 HD1 HIS 17 HD1 HIS 17 -30.634 -11.486 -11.631 134 HD2 HIS 17 HD2 HIS 17 -29.528 -9.549 -8.124 135 HE1 HIS 17 HE1 HIS 17 -28.670 -12.778 -10.740 136 HE2 HIS 17 HE2 HIS 17 -28.078 -11.644 -8.570 137 H PHE 18 H PHE 18 -34.513 -8.528 -7.954 138 HA PHE 18 HA PHE 18 -36.460 -7.557 -9.747 139 1HB PHE 18 1HB PHE 18 -35.834 -6.600 -6.950 140 2HB PHE 18 2HB PHE 18 -37.326 -6.296 -7.834 141 HD1 PHE 18 HD1 PHE 18 -38.893 -8.138 -8.284 142 HD2 PHE 18 HD2 PHE 18 -35.433 -8.677 -5.865 143 HE1 PHE 18 HE1 PHE 18 -39.849 -10.219 -7.387 144 HE2 PHE 18 HE2 PHE 18 -36.384 -10.761 -4.963 145 HZ PHE 18 HZ PHE 18 -38.598 -11.530 -5.719 146 H SER 19 H SER 19 -34.052 -5.730 -7.849 147 HA SER 19 HA SER 19 -34.151 -3.637 -9.921 148 1HB SER 19 1HB SER 19 -33.478 -2.043 -8.164 149 2HB SER 19 2HB SER 19 -34.992 -2.849 -7.757 150 HG SER 19 HG SER 19 -34.063 -3.571 -6.030 151 H VAL 20 H VAL 20 -32.409 -3.589 -11.160 152 HA VAL 20 HA VAL 20 -29.955 -4.868 -10.348 153 HB VAL 20 HB VAL 20 -29.123 -4.224 -12.582 154 1HG1 VAL 20 1HG1 VAL 20 -30.372 -6.312 -12.269 155 2HG1 VAL 20 2HG1 VAL 20 -30.632 -5.629 -13.874 156 3HG1 VAL 20 3HG1 VAL 20 -31.875 -5.462 -12.633 157 1HG2 VAL 20 1HG2 VAL 20 -30.296 -2.091 -12.801 158 2HG2 VAL 20 2HG2 VAL 20 -31.835 -2.944 -12.916 159 3HG2 VAL 20 3HG2 VAL 20 -30.621 -3.141 -14.180 160 H SER 21 H SER 21 -27.918 -3.870 -10.179 161 HA SER 21 HA SER 21 -28.065 -1.052 -9.366 162 1HB SER 21 1HB SER 21 -25.990 -3.163 -8.724 163 2HB SER 21 2HB SER 21 -25.965 -1.501 -8.137 164 HG SER 21 HG SER 21 -26.893 -3.009 -6.641 165 H SER 22 H SER 22 -27.011 0.488 -10.445 166 HA SER 22 HA SER 22 -24.938 -0.294 -12.377 167 1HB SER 22 1HB SER 22 -25.838 1.340 -13.993 168 2HB SER 22 2HB SER 22 -27.016 0.079 -13.628 169 HG SER 22 HG SER 22 -27.085 2.782 -13.080 170 H LEU 23 H LEU 23 -26.007 1.739 -9.889 171 HA LEU 23 HA LEU 23 -24.451 4.051 -10.429 172 1HB LEU 23 1HB LEU 23 -26.424 3.587 -8.737 173 2HB LEU 23 2HB LEU 23 -25.110 3.221 -7.638 174 HG LEU 23 HG LEU 23 -25.827 5.504 -7.324 175 1HD1 LEU 23 1HD1 LEU 23 -23.187 5.446 -8.774 176 2HD1 LEU 23 2HD1 LEU 23 -23.436 5.040 -7.075 177 3HD1 LEU 23 3HD1 LEU 23 -23.731 6.684 -7.643 178 1HD2 LEU 23 1HD2 LEU 23 -25.761 7.155 -9.080 179 2HD2 LEU 23 2HD2 LEU 23 -26.791 5.809 -9.571 180 3HD2 LEU 23 3HD2 LEU 23 -25.161 5.956 -10.226 181 H ALA 24 H ALA 24 -23.937 1.251 -8.296 182 HA ALA 24 HA ALA 24 -21.180 2.070 -7.832 183 1HB ALA 24 1HB ALA 24 -22.727 -0.268 -6.719 184 2HB ALA 24 2HB ALA 24 -22.498 1.292 -5.928 185 3HB ALA 24 3HB ALA 24 -21.113 0.238 -6.217 186 H GLU 25 H GLU 25 -20.935 1.702 -10.279 187 HA GLU 25 HA GLU 25 -19.643 -0.878 -10.612 188 1HB GLU 25 1HB GLU 25 -21.968 -1.210 -11.425 189 2HB GLU 25 2HB GLU 25 -21.721 0.091 -12.583 190 1HG GLU 25 1HG GLU 25 -19.896 -1.215 -13.608 191 2HG GLU 25 2HG GLU 25 -20.252 -2.534 -12.493 192 H GLY 26 H GLY 26 -17.813 -0.729 -11.801 193 1HA GLY 26 1HA GLY 26 -16.278 0.138 -13.318 194 2HA GLY 26 2HA GLY 26 -17.441 1.387 -13.739 195 H SER 27 H SER 27 -17.923 2.472 -11.234 196 HA SER 27 HA SER 27 -15.288 3.545 -10.471 197 1HB SER 27 1HB SER 27 -17.926 5.026 -10.654 198 2HB SER 27 2HB SER 27 -16.418 5.713 -10.051 199 HG SER 27 HG SER 27 -17.179 5.083 -12.658 200 H VAL 28 H VAL 28 -16.460 5.188 -8.379 201 HA VAL 28 HA VAL 28 -17.007 5.094 -6.172 202 HB VAL 28 HB VAL 28 -18.483 2.578 -6.960 203 1HG1 VAL 28 1HG1 VAL 28 -18.718 4.268 -4.473 204 2HG1 VAL 28 2HG1 VAL 28 -18.066 2.632 -4.568 205 3HG1 VAL 28 3HG1 VAL 28 -19.773 2.922 -4.905 206 1HG2 VAL 28 1HG2 VAL 28 -20.470 4.035 -6.965 207 2HG2 VAL 28 2HG2 VAL 28 -19.285 4.506 -8.183 208 3HG2 VAL 28 3HG2 VAL 28 -19.426 5.430 -6.686 209 H THR 29 H THR 29 -15.249 4.775 -4.963 210 HA THR 29 HA THR 29 -14.353 2.002 -4.541 211 HB THR 29 HB THR 29 -12.042 2.814 -4.283 212 HG1 THR 29 HG1 THR 29 -13.266 5.217 -4.343 213 1HG2 THR 29 1HG2 THR 29 -11.574 3.176 -6.637 214 2HG2 THR 29 2HG2 THR 29 -13.257 3.613 -6.930 215 3HG2 THR 29 3HG2 THR 29 -12.843 1.964 -6.461 216 H SER 30 H SER 30 -13.372 1.579 -2.473 217 HA SER 30 HA SER 30 -14.536 3.239 -0.364 218 1HB SER 30 1HB SER 30 -13.294 0.500 -0.119 219 2HB SER 30 2HB SER 30 -14.270 1.343 1.083 220 HG SER 30 HG SER 30 -16.053 0.929 -0.036 221 H VAL 31 H VAL 31 -13.325 4.578 0.793 222 HA VAL 31 HA VAL 31 -10.457 3.998 1.109 223 HB VAL 31 HB VAL 31 -11.503 6.787 0.638 224 1HG1 VAL 31 1HG1 VAL 31 -8.753 5.567 0.734 225 2HG1 VAL 31 2HG1 VAL 31 -9.440 6.763 1.833 226 3HG1 VAL 31 3HG1 VAL 31 -9.080 7.204 0.164 227 1HG2 VAL 31 1HG2 VAL 31 -10.229 4.916 -1.360 228 2HG2 VAL 31 2HG2 VAL 31 -10.577 6.623 -1.630 229 3HG2 VAL 31 3HG2 VAL 31 -11.899 5.483 -1.381 230 H GLY 32 H GLY 32 -9.792 4.097 3.162 231 1HA GLY 32 1HA GLY 32 -9.676 5.375 5.239 232 2HA GLY 32 2HA GLY 32 -11.396 5.686 5.067 233 H SER 33 H SER 33 -10.560 2.518 4.215 234 HA SER 33 HA SER 33 -11.798 1.522 6.656 235 1HB SER 33 1HB SER 33 -11.004 0.083 4.111 236 2HB SER 33 2HB SER 33 -11.875 -0.646 5.460 237 HG SER 33 HG SER 33 -13.501 -0.012 4.223 238 H VAL 34 H VAL 34 -9.643 2.406 7.620 239 HA VAL 34 HA VAL 34 -7.615 2.066 8.589 240 HB VAL 34 HB VAL 34 -7.377 0.084 9.859 241 1HG1 VAL 34 1HG1 VAL 34 -9.208 1.500 10.563 242 2HG1 VAL 34 2HG1 VAL 34 -9.606 -0.193 10.856 243 3HG1 VAL 34 3HG1 VAL 34 -10.312 0.654 9.480 244 1HG2 VAL 34 1HG2 VAL 34 -8.480 -1.992 9.447 245 2HG2 VAL 34 2HG2 VAL 34 -7.706 -1.496 7.940 246 3HG2 VAL 34 3HG2 VAL 34 -9.445 -1.288 8.151 247 H ASN 35 H ASN 35 -7.917 1.350 5.581 248 HA ASN 35 HA ASN 35 -5.228 0.885 5.024 249 1HB ASN 35 1HB ASN 35 -5.884 -1.386 5.987 250 2HB ASN 35 2HB ASN 35 -6.856 -1.610 4.538 251 1HD2 ASN 35 1HD2 ASN 35 -4.571 -3.132 5.459 252 2HD2 ASN 35 2HD2 ASN 35 -3.386 -3.040 4.207 253 HA PRO 36 HA PRO 36 -7.430 2.191 1.327 254 1HB PRO 36 1HB PRO 36 -5.385 3.385 0.078 255 2HB PRO 36 2HB PRO 36 -6.157 4.131 1.486 256 1HG PRO 36 1HG PRO 36 -3.621 2.541 1.335 257 2HG PRO 36 2HG PRO 36 -3.939 4.058 2.197 258 1HD PRO 36 1HD PRO 36 -3.963 1.609 3.406 259 2HD PRO 36 2HD PRO 36 -4.929 2.987 3.973 260 H ALA 37 H ALA 37 -4.639 0.222 1.656 261 HA ALA 37 HA ALA 37 -4.478 -0.600 -1.091 262 1HB ALA 37 1HB ALA 37 -2.469 -0.556 0.243 263 2HB ALA 37 2HB ALA 37 -2.812 -2.220 -0.231 264 3HB ALA 37 3HB ALA 37 -3.174 -1.676 1.407 265 H GLU 38 H GLU 38 -6.186 -1.614 1.748 266 HA GLU 38 HA GLU 38 -6.580 -4.299 1.144 267 1HB GLU 38 1HB GLU 38 -8.110 -4.360 2.826 268 2HB GLU 38 2HB GLU 38 -7.251 -2.886 3.247 269 1HG GLU 38 1HG GLU 38 -9.378 -2.132 3.460 270 2HG GLU 38 2HG GLU 38 -9.127 -1.781 1.751 271 H ASN 39 H ASN 39 -7.888 -1.473 -0.326 272 HA ASN 39 HA ASN 39 -10.185 -2.615 -1.516 273 1HB ASN 39 1HB ASN 39 -9.813 -0.180 -1.484 274 2HB ASN 39 2HB ASN 39 -8.402 -0.372 -2.519 275 1HD2 ASN 39 1HD2 ASN 39 -11.336 -2.223 -2.908 276 2HD2 ASN 39 2HD2 ASN 39 -11.826 -1.497 -4.398 277 H PHE 40 H PHE 40 -6.885 -2.095 -2.733 278 HA PHE 40 HA PHE 40 -7.111 -3.452 -5.144 279 1HB PHE 40 1HB PHE 40 -4.975 -2.740 -5.221 280 2HB PHE 40 2HB PHE 40 -4.987 -2.431 -3.490 281 HD1 PHE 40 HD1 PHE 40 -4.211 -4.920 -6.088 282 HD2 PHE 40 HD2 PHE 40 -3.922 -3.921 -1.967 283 HE1 PHE 40 HE1 PHE 40 -2.597 -6.743 -5.765 284 HE2 PHE 40 HE2 PHE 40 -2.307 -5.743 -1.633 285 HZ PHE 40 HZ PHE 40 -1.649 -7.162 -3.524 286 H ARG 41 H ARG 41 -6.423 -4.572 -1.888 287 HA ARG 41 HA ARG 41 -5.966 -7.274 -2.418 288 1HB ARG 41 1HB ARG 41 -7.159 -5.898 -0.022 289 2HB ARG 41 2HB ARG 41 -6.797 -7.617 -0.063 290 1HG ARG 41 1HG ARG 41 -4.463 -7.150 -0.340 291 2HG ARG 41 2HG ARG 41 -4.796 -5.417 -0.460 292 1HD ARG 41 1HD ARG 41 -4.502 -7.071 1.874 293 2HD ARG 41 2HD ARG 41 -4.538 -5.312 1.735 294 HE ARG 41 HE ARG 41 -7.099 -5.776 1.623 295 1HH1 ARG 41 1HH1 ARG 41 -4.747 -7.405 3.610 296 2HH1 ARG 41 2HH1 ARG 41 -5.879 -7.778 4.867 297 1HH2 ARG 41 1HH2 ARG 41 -8.596 -6.263 3.270 298 2HH2 ARG 41 2HH2 ARG 41 -8.067 -7.129 4.674 299 H VAL 42 H VAL 42 -8.922 -5.429 -2.002 300 HA VAL 42 HA VAL 42 -10.701 -7.594 -1.841 301 HB VAL 42 HB VAL 42 -11.053 -4.724 -2.662 302 1HG1 VAL 42 1HG1 VAL 42 -12.584 -5.903 -4.100 303 2HG1 VAL 42 2HG1 VAL 42 -13.496 -5.161 -2.786 304 3HG1 VAL 42 3HG1 VAL 42 -13.150 -6.890 -2.753 305 1HG2 VAL 42 1HG2 VAL 42 -12.433 -4.648 -0.661 306 2HG2 VAL 42 2HG2 VAL 42 -10.831 -5.281 -0.283 307 3HG2 VAL 42 3HG2 VAL 42 -12.206 -6.380 -0.423 308 H LEU 43 H LEU 43 -9.676 -5.638 -4.649 309 HA LEU 43 HA LEU 43 -11.147 -7.111 -6.533 310 1HB LEU 43 1HB LEU 43 -8.591 -5.560 -6.903 311 2HB LEU 43 2HB LEU 43 -9.585 -6.172 -8.216 312 HG LEU 43 HG LEU 43 -11.420 -4.762 -6.788 313 1HD1 LEU 43 1HD1 LEU 43 -10.552 -3.119 -5.577 314 2HD1 LEU 43 2HD1 LEU 43 -9.357 -2.726 -6.815 315 3HD1 LEU 43 3HD1 LEU 43 -9.034 -4.016 -5.652 316 1HD2 LEU 43 1HD2 LEU 43 -11.005 -4.711 -9.224 317 2HD2 LEU 43 2HD2 LEU 43 -9.631 -3.640 -8.940 318 3HD2 LEU 43 3HD2 LEU 43 -11.262 -3.105 -8.536 319 H VAL 44 H VAL 44 -7.872 -7.640 -5.257 320 HA VAL 44 HA VAL 44 -7.302 -9.752 -7.095 321 HB VAL 44 HB VAL 44 -5.332 -10.222 -5.841 322 1HG1 VAL 44 1HG1 VAL 44 -4.196 -8.197 -5.967 323 2HG1 VAL 44 2HG1 VAL 44 -5.615 -7.262 -5.502 324 3HG1 VAL 44 3HG1 VAL 44 -5.536 -8.004 -7.099 325 1HG2 VAL 44 1HG2 VAL 44 -6.422 -8.492 -3.633 326 2HG2 VAL 44 2HG2 VAL 44 -4.866 -9.324 -3.648 327 3HG2 VAL 44 3HG2 VAL 44 -6.362 -10.252 -3.614 328 H LYS 45 H LYS 45 -8.752 -9.560 -3.920 329 HA LYS 45 HA LYS 45 -8.754 -12.443 -3.581 330 1HB LYS 45 1HB LYS 45 -9.496 -12.073 -1.393 331 2HB LYS 45 2HB LYS 45 -8.471 -10.676 -1.700 332 1HG LYS 45 1HG LYS 45 -10.415 -9.308 -2.134 333 2HG LYS 45 2HG LYS 45 -11.475 -10.702 -1.934 334 1HD LYS 45 1HD LYS 45 -11.523 -9.439 0.098 335 2HD LYS 45 2HD LYS 45 -10.622 -10.926 0.399 336 1HE LYS 45 1HE LYS 45 -8.528 -9.749 0.235 337 2HE LYS 45 2HE LYS 45 -9.355 -8.267 -0.245 338 1HZ LYS 45 1HZ LYS 45 -8.704 -8.273 2.103 339 2HZ LYS 45 2HZ LYS 45 -9.690 -9.619 2.378 340 3HZ LYS 45 3HZ LYS 45 -10.380 -8.147 1.913 341 H GLN 46 H GLN 46 -10.637 -10.131 -5.108 342 HA GLN 46 HA GLN 46 -13.032 -11.845 -5.035 343 1HB GLN 46 1HB GLN 46 -12.810 -8.887 -5.637 344 2HB GLN 46 2HB GLN 46 -14.296 -9.821 -5.726 345 1HG GLN 46 1HG GLN 46 -12.655 -9.432 -3.239 346 2HG GLN 46 2HG GLN 46 -14.077 -8.482 -3.657 347 1HE2 GLN 46 1HE2 GLN 46 -16.113 -9.461 -3.601 348 2HE2 GLN 46 2HE2 GLN 46 -16.395 -10.934 -2.743 349 H LYS 47 H LYS 47 -14.323 -10.786 -7.254 350 HA LYS 47 HA LYS 47 -12.691 -11.887 -9.423 351 1HB LYS 47 1HB LYS 47 -14.760 -12.132 -10.635 352 2HB LYS 47 2HB LYS 47 -15.000 -12.757 -9.008 353 1HG LYS 47 1HG LYS 47 -16.048 -10.602 -8.382 354 2HG LYS 47 2HG LYS 47 -15.902 -10.084 -10.062 355 1HD LYS 47 1HD LYS 47 -18.121 -10.902 -9.780 356 2HD LYS 47 2HD LYS 47 -17.238 -12.127 -10.694 357 1HE LYS 47 1HE LYS 47 -18.599 -13.174 -8.978 358 2HE LYS 47 2HE LYS 47 -16.886 -13.400 -8.625 359 1HZ LYS 47 1HZ LYS 47 -18.056 -12.804 -6.630 360 2HZ LYS 47 2HZ LYS 47 -18.703 -11.421 -7.358 361 3HZ LYS 47 3HZ LYS 47 -17.040 -11.522 -7.065 362 H LYS 48 H LYS 48 -13.404 -8.970 -8.088 363 HA LYS 48 HA LYS 48 -14.112 -7.196 -10.021 364 1HB LYS 48 1HB LYS 48 -12.756 -7.103 -7.497 365 2HB LYS 48 2HB LYS 48 -12.019 -5.958 -8.603 366 1HG LYS 48 1HG LYS 48 -13.674 -4.752 -7.482 367 2HG LYS 48 2HG LYS 48 -14.366 -5.114 -9.065 368 1HD LYS 48 1HD LYS 48 -16.078 -5.547 -7.501 369 2HD LYS 48 2HD LYS 48 -15.451 -7.128 -7.970 370 1HE LYS 48 1HE LYS 48 -14.143 -7.259 -5.948 371 2HE LYS 48 2HE LYS 48 -14.603 -5.615 -5.502 372 1HZ LYS 48 1HZ LYS 48 -16.445 -7.935 -5.728 373 2HZ LYS 48 2HZ LYS 48 -16.904 -6.358 -5.327 374 3HZ LYS 48 3HZ LYS 48 -15.901 -7.237 -4.286 375 H ALA 49 H ALA 49 -10.681 -7.219 -9.150 376 HA ALA 49 HA ALA 49 -10.008 -7.201 -12.024 377 1HB ALA 49 1HB ALA 49 -9.911 -4.940 -10.999 378 2HB ALA 49 2HB ALA 49 -8.376 -5.501 -11.660 379 3HB ALA 49 3HB ALA 49 -8.652 -5.541 -9.918 380 H SER 50 H SER 50 -7.730 -7.719 -12.472 381 HA SER 50 HA SER 50 -6.904 -10.061 -11.059 382 1HB SER 50 1HB SER 50 -4.904 -9.913 -12.620 383 2HB SER 50 2HB SER 50 -6.479 -10.009 -13.416 384 HG SER 50 HG SER 50 -6.184 -8.079 -14.202 385 H PHE 51 H PHE 51 -4.552 -10.256 -10.313 386 HA PHE 51 HA PHE 51 -4.118 -8.507 -8.179 387 1HB PHE 51 1HB PHE 51 -3.194 -10.839 -8.411 388 2HB PHE 51 2HB PHE 51 -1.985 -10.177 -9.508 389 HD1 PHE 51 HD1 PHE 51 -0.170 -8.850 -8.696 390 HD2 PHE 51 HD2 PHE 51 -3.175 -10.266 -6.040 391 HE1 PHE 51 HE1 PHE 51 1.264 -8.292 -6.782 392 HE2 PHE 51 HE2 PHE 51 -1.748 -9.703 -4.118 393 HZ PHE 51 HZ PHE 51 0.427 -8.637 -4.475 394 H GLU 52 H GLU 52 -3.432 -8.121 -11.491 395 HA GLU 52 HA GLU 52 -1.292 -6.231 -11.057 396 1HB GLU 52 1HB GLU 52 -0.883 -6.338 -13.316 397 2HB GLU 52 2HB GLU 52 -1.628 -7.902 -13.036 398 1HG GLU 52 1HG GLU 52 -3.759 -7.037 -13.856 399 2HG GLU 52 2HG GLU 52 -3.005 -5.472 -14.151 400 H GLU 53 H GLU 53 -4.560 -6.000 -12.526 401 HA GLU 53 HA GLU 53 -4.552 -3.196 -12.744 402 1HB GLU 53 1HB GLU 53 -6.201 -4.442 -13.947 403 2HB GLU 53 2HB GLU 53 -6.806 -5.189 -12.480 404 1HG GLU 53 1HG GLU 53 -7.830 -3.202 -11.765 405 2HG GLU 53 2HG GLU 53 -6.954 -2.232 -12.950 406 H ALA 54 H ALA 54 -5.626 -5.352 -10.180 407 HA ALA 54 HA ALA 54 -6.726 -3.445 -8.460 408 1HB ALA 54 1HB ALA 54 -5.328 -6.032 -7.789 409 2HB ALA 54 2HB ALA 54 -7.040 -5.842 -8.173 410 3HB ALA 54 3HB ALA 54 -6.380 -5.119 -6.703 411 H SER 55 H SER 55 -3.445 -4.858 -8.504 412 HA SER 55 HA SER 55 -2.412 -3.218 -6.454 413 1HB SER 55 1HB SER 55 -0.192 -3.882 -7.339 414 2HB SER 55 2HB SER 55 -1.271 -5.266 -7.155 415 HG SER 55 HG SER 55 -0.910 -3.854 -9.585 416 H ASN 56 H ASN 56 -2.866 -2.805 -9.869 417 HA ASN 56 HA ASN 56 -1.203 -0.568 -10.247 418 1HB ASN 56 1HB ASN 56 -3.428 -1.865 -11.746 419 2HB ASN 56 2HB ASN 56 -3.088 -0.183 -12.148 420 1HD2 ASN 56 1HD2 ASN 56 -1.047 0.357 -12.988 421 2HD2 ASN 56 2HD2 ASN 56 -0.035 -0.832 -13.726 422 H GLN 57 H GLN 57 -4.582 -0.911 -9.296 423 HA GLN 57 HA GLN 57 -5.066 1.904 -9.201 424 1HB GLN 57 1HB GLN 57 -6.851 0.151 -9.459 425 2HB GLN 57 2HB GLN 57 -6.587 -0.290 -7.778 426 1HG GLN 57 1HG GLN 57 -7.272 1.907 -7.053 427 2HG GLN 57 2HG GLN 57 -7.437 2.436 -8.727 428 1HE2 GLN 57 1HE2 GLN 57 -9.599 2.949 -8.480 429 2HE2 GLN 57 2HE2 GLN 57 -10.827 1.742 -8.332 430 H LEU 58 H LEU 58 -3.786 -0.501 -7.040 431 HA LEU 58 HA LEU 58 -4.039 0.969 -4.626 432 1HB LEU 58 1HB LEU 58 -3.356 -1.558 -5.101 433 2HB LEU 58 2HB LEU 58 -1.736 -0.898 -5.083 434 HG LEU 58 HG LEU 58 -3.634 -1.341 -2.833 435 1HD1 LEU 58 1HD1 LEU 58 -0.661 -1.223 -2.627 436 2HD1 LEU 58 2HD1 LEU 58 -1.414 -2.578 -3.471 437 3HD1 LEU 58 3HD1 LEU 58 -1.815 -2.257 -1.784 438 1HD2 LEU 58 1HD2 LEU 58 -2.526 0.345 -1.433 439 2HD2 LEU 58 2HD2 LEU 58 -3.431 1.083 -2.753 440 3HD2 LEU 58 3HD2 LEU 58 -1.674 0.957 -2.850 441 H ILE 59 H ILE 59 -1.206 0.454 -6.760 442 HA ILE 59 HA ILE 59 0.443 2.312 -5.419 443 HB ILE 59 HB ILE 59 0.683 1.762 -8.385 444 1HG1 ILE 59 1HG1 ILE 59 2.050 -0.076 -6.496 445 2HG1 ILE 59 2HG1 ILE 59 0.317 -0.299 -6.666 446 1HG2 ILE 59 1HG2 ILE 59 3.133 1.774 -7.675 447 2HG2 ILE 59 2HG2 ILE 59 2.543 2.514 -6.186 448 3HG2 ILE 59 3HG2 ILE 59 2.258 3.304 -7.735 449 1HD1 ILE 59 1HD1 ILE 59 2.270 -0.280 -8.944 450 2HD1 ILE 59 2HD1 ILE 59 0.554 -0.685 -9.011 451 3HD1 ILE 59 3HD1 ILE 59 1.676 -1.726 -8.133 452 H ASN 60 H ASN 60 -1.827 2.564 -8.122 453 HA ASN 60 HA ASN 60 -1.302 5.156 -8.990 454 1HB ASN 60 1HB ASN 60 -3.657 3.347 -9.076 455 2HB ASN 60 2HB ASN 60 -3.927 5.046 -9.448 456 1HD2 ASN 60 1HD2 ASN 60 -1.296 5.425 -10.606 457 2HD2 ASN 60 2HD2 ASN 60 -1.320 4.637 -12.142 458 H HIS 61 H HIS 61 -3.585 4.009 -6.522 459 HA HIS 61 HA HIS 61 -4.542 6.529 -5.741 460 1HB HIS 61 1HB HIS 61 -5.859 5.091 -4.619 461 2HB HIS 61 2HB HIS 61 -4.684 3.792 -4.819 462 HD1 HIS 61 HD1 HIS 61 -2.760 3.712 -2.980 463 HD2 HIS 61 HD2 HIS 61 -6.069 6.043 -2.079 464 HE1 HIS 61 HE1 HIS 61 -2.659 4.084 -0.515 465 HE2 HIS 61 HE2 HIS 61 -4.599 5.605 0.005 466 H ILE 62 H ILE 62 -1.756 4.632 -4.845 467 HA ILE 62 HA ILE 62 -0.794 6.286 -2.763 468 HB ILE 62 HB ILE 62 0.655 4.370 -4.592 469 1HG1 ILE 62 1HG1 ILE 62 -1.129 3.464 -3.072 470 2HG1 ILE 62 2HG1 ILE 62 0.476 2.798 -2.808 471 1HG2 ILE 62 1HG2 ILE 62 2.421 4.413 -2.816 472 2HG2 ILE 62 2HG2 ILE 62 1.618 5.837 -2.153 473 3HG2 ILE 62 3HG2 ILE 62 2.291 5.881 -3.783 474 1HD1 ILE 62 1HD1 ILE 62 0.773 4.131 -0.849 475 2HD1 ILE 62 2HD1 ILE 62 -0.779 3.300 -0.733 476 3HD1 ILE 62 3HD1 ILE 62 -0.723 5.010 -1.166 477 H GLU 63 H GLU 63 -0.658 6.457 -6.231 478 HA GLU 63 HA GLU 63 1.501 8.329 -6.368 479 1HB GLU 63 1HB GLU 63 -0.627 7.503 -8.344 480 2HB GLU 63 2HB GLU 63 0.578 8.727 -8.713 481 1HG GLU 63 1HG GLU 63 2.355 7.131 -8.390 482 2HG GLU 63 2HG GLU 63 1.197 5.897 -7.903 483 H GLN 64 H GLN 64 -2.042 8.559 -6.400 484 HA GLN 64 HA GLN 64 -2.259 11.331 -6.713 485 1HB GLN 64 1HB GLN 64 -4.185 9.739 -6.743 486 2HB GLN 64 2HB GLN 64 -4.015 9.546 -5.004 487 1HG GLN 64 1HG GLN 64 -5.805 11.074 -5.466 488 2HG GLN 64 2HG GLN 64 -4.470 11.950 -4.720 489 1HE2 GLN 64 1HE2 GLN 64 -4.439 10.907 -8.048 490 2HE2 GLN 64 2HE2 GLN 64 -4.556 12.482 -8.749 491 H PHE 65 H PHE 65 -2.035 9.347 -3.770 492 HA PHE 65 HA PHE 65 -1.898 11.448 -1.929 493 1HB PHE 65 1HB PHE 65 -1.913 9.626 -0.594 494 2HB PHE 65 2HB PHE 65 -1.359 8.589 -1.905 495 HD1 PHE 65 HD1 PHE 65 0.628 7.497 -1.600 496 HD2 PHE 65 HD2 PHE 65 -0.006 11.235 0.328 497 HE1 PHE 65 HE1 PHE 65 2.786 7.266 -0.444 498 HE2 PHE 65 HE2 PHE 65 2.145 11.009 1.480 499 HZ PHE 65 HZ PHE 65 3.669 9.128 0.856 500 H LEU 66 H LEU 66 0.750 9.627 -3.492 501 HA LEU 66 HA LEU 66 2.860 11.105 -2.479 502 1HB LEU 66 1HB LEU 66 2.521 9.485 -4.976 503 2HB LEU 66 2HB LEU 66 4.005 10.396 -4.718 504 HG LEU 66 HG LEU 66 2.913 8.290 -2.842 505 1HD1 LEU 66 1HD1 LEU 66 4.794 6.919 -3.611 506 2HD1 LEU 66 2HD1 LEU 66 5.190 8.154 -4.809 507 3HD1 LEU 66 3HD1 LEU 66 3.658 7.284 -4.910 508 1HD2 LEU 66 1HD2 LEU 66 5.601 9.657 -2.821 509 2HD2 LEU 66 2HD2 LEU 66 4.993 8.487 -1.650 510 3HD2 LEU 66 3HD2 LEU 66 4.258 10.087 -1.762 511 H ASP 67 H ASP 67 0.497 11.970 -4.801 512 HA ASP 67 HA ASP 67 1.997 14.083 -6.011 513 1HB ASP 67 1HB ASP 67 -0.081 12.978 -7.007 514 2HB ASP 67 2HB ASP 67 -1.016 13.913 -5.845 515 H THR 68 H THR 68 -0.362 13.776 -3.374 516 HA THR 68 HA THR 68 -0.406 16.515 -2.669 517 HB THR 68 HB THR 68 -1.936 14.572 -1.792 518 HG1 THR 68 HG1 THR 68 -1.907 16.004 0.336 519 1HG2 THR 68 1HG2 THR 68 -1.206 14.194 0.701 520 2HG2 THR 68 2HG2 THR 68 0.413 14.402 0.039 521 3HG2 THR 68 3HG2 THR 68 -0.632 13.124 -0.573 522 H ASN 69 H ASN 69 0.338 16.999 -0.194 523 HA ASN 69 HA ASN 69 3.228 16.422 -0.160 524 1HB ASN 69 1HB ASN 69 1.652 18.870 0.582 525 2HB ASN 69 2HB ASN 69 3.278 18.613 1.222 526 1HD2 ASN 69 1HD2 ASN 69 5.034 18.590 -0.214 527 2HD2 ASN 69 2HD2 ASN 69 4.924 19.299 -1.786 528 H GLU 70 H GLU 70 0.516 15.477 1.296 529 HA GLU 70 HA GLU 70 1.256 15.684 4.072 530 1HB GLU 70 1HB GLU 70 -0.789 13.761 3.013 531 2HB GLU 70 2HB GLU 70 -0.789 14.653 4.527 532 1HG GLU 70 1HG GLU 70 -1.022 16.065 1.900 533 2HG GLU 70 2HG GLU 70 -2.431 15.356 2.684 534 H THR 71 H THR 71 2.322 14.185 5.312 535 HA THR 71 HA THR 71 3.301 11.823 3.893 536 HB THR 71 HB THR 71 4.948 11.588 5.752 537 HG1 THR 71 HG1 THR 71 5.155 13.252 7.206 538 1HG2 THR 71 1HG2 THR 71 6.393 13.393 4.930 539 2HG2 THR 71 2HG2 THR 71 4.997 14.178 4.190 540 3HG2 THR 71 3HG2 THR 71 5.534 12.603 3.606 541 HA PRO 72 HA PRO 72 1.154 10.286 8.114 542 1HB PRO 72 1HB PRO 72 -1.469 10.955 6.867 543 2HB PRO 72 2HB PRO 72 -1.023 10.895 8.576 544 1HG PRO 72 1HG PRO 72 -1.323 13.217 7.293 545 2HG PRO 72 2HG PRO 72 -0.086 12.991 8.543 546 1HD PRO 72 1HD PRO 72 0.217 13.186 5.598 547 2HD PRO 72 2HD PRO 72 1.350 13.643 6.884 548 H TYR 73 H TYR 73 0.355 10.569 4.791 549 HA TYR 73 HA TYR 73 -0.603 7.859 4.460 550 1HB TYR 73 1HB TYR 73 -0.146 9.996 2.373 551 2HB TYR 73 2HB TYR 73 -1.164 8.569 2.219 552 HD1 TYR 73 HD1 TYR 73 -1.884 11.583 1.841 553 HD2 TYR 73 HD2 TYR 73 -2.367 8.856 5.070 554 HE1 TYR 73 HE1 TYR 73 -3.801 12.891 2.649 555 HE2 TYR 73 HE2 TYR 73 -4.290 10.154 5.885 556 HH TYR 73 HH TYR 73 -5.167 12.453 5.717 557 H PHE 74 H PHE 74 2.459 9.490 4.225 558 HA PHE 74 HA PHE 74 3.511 7.823 2.177 559 1HB PHE 74 1HB PHE 74 5.450 9.011 2.258 560 2HB PHE 74 2HB PHE 74 4.323 10.171 2.907 561 HD1 PHE 74 HD1 PHE 74 7.312 10.201 3.028 562 HD2 PHE 74 HD2 PHE 74 4.417 8.773 5.788 563 HE1 PHE 74 HE1 PHE 74 8.863 10.647 4.878 564 HE2 PHE 74 HE2 PHE 74 5.966 9.210 7.643 565 HZ PHE 74 HZ PHE 74 8.191 10.151 7.191 566 H MET 75 H MET 75 3.564 7.578 5.685 567 HA MET 75 HA MET 75 5.221 5.214 5.586 568 1HB MET 75 1HB MET 75 3.867 5.144 8.021 569 2HB MET 75 2HB MET 75 5.462 5.829 7.741 570 1HG MET 75 1HG MET 75 4.725 7.960 7.788 571 2HG MET 75 2HG MET 75 3.102 7.554 7.247 572 1HE MET 75 1HE MET 75 5.614 7.594 10.262 573 2HE MET 75 2HE MET 75 5.183 5.888 10.149 574 3HE MET 75 3HE MET 75 4.658 6.841 11.538 575 H LYS 76 H LYS 76 1.877 6.124 5.654 576 HA LYS 76 HA LYS 76 0.759 3.534 5.907 577 1HB LYS 76 1HB LYS 76 -0.526 5.587 6.332 578 2HB LYS 76 2HB LYS 76 -0.347 6.049 4.649 579 1HG LYS 76 1HG LYS 76 -1.471 3.514 4.559 580 2HG LYS 76 2HG LYS 76 -2.290 4.335 5.890 581 1HD LYS 76 1HD LYS 76 -3.432 4.665 3.734 582 2HD LYS 76 2HD LYS 76 -2.877 6.178 4.444 583 1HE LYS 76 1HE LYS 76 -1.040 6.306 2.948 584 2HE LYS 76 2HE LYS 76 -1.296 4.654 2.385 585 1HZ LYS 76 1HZ LYS 76 -3.361 5.343 1.363 586 2HZ LYS 76 2HZ LYS 76 -2.099 6.317 0.798 587 3HZ LYS 76 3HZ LYS 76 -3.176 6.917 1.955 588 H SER 77 H SER 77 2.167 5.397 3.354 589 HA SER 77 HA SER 77 1.176 3.904 1.142 590 1HB SER 77 1HB SER 77 2.599 5.167 -0.169 591 2HB SER 77 2HB SER 77 2.564 6.204 1.257 592 HG SER 77 HG SER 77 4.695 5.762 0.506 593 H ILE 78 H ILE 78 4.186 3.873 3.034 594 HA ILE 78 HA ILE 78 5.410 1.673 1.905 595 HB ILE 78 HB ILE 78 5.886 3.210 4.174 596 1HG1 ILE 78 1HG1 ILE 78 7.968 1.836 4.348 597 2HG1 ILE 78 2HG1 ILE 78 7.278 0.740 3.150 598 1HG2 ILE 78 1HG2 ILE 78 6.203 1.682 6.019 599 2HG2 ILE 78 2HG2 ILE 78 5.592 0.336 5.052 600 3HG2 ILE 78 3HG2 ILE 78 4.513 1.652 5.515 601 1HD1 ILE 78 1HD1 ILE 78 7.336 3.608 2.473 602 2HD1 ILE 78 2HD1 ILE 78 7.579 2.184 1.453 603 3HD1 ILE 78 3HD1 ILE 78 8.878 2.746 2.509 604 H ASP 79 H ASP 79 2.825 1.880 4.265 605 HA ASP 79 HA ASP 79 2.582 -0.855 4.829 606 1HB ASP 79 1HB ASP 79 0.885 1.553 5.164 607 2HB ASP 79 2HB ASP 79 0.060 0.006 5.243 608 H CYS 80 H CYS 80 1.049 1.158 2.312 609 HA CYS 80 HA CYS 80 -0.680 -0.803 1.287 610 1HB CYS 80 1HB CYS 80 -1.020 0.603 -0.499 611 2HB CYS 80 2HB CYS 80 -0.291 1.749 0.617 612 HG CYS 80 HG CYS 80 1.739 2.362 -0.834 613 H ILE 81 H ILE 81 2.665 0.017 0.484 614 HA ILE 81 HA ILE 81 3.152 -1.852 -1.505 615 HB ILE 81 HB ILE 81 4.897 -0.649 0.649 616 1HG1 ILE 81 1HG1 ILE 81 6.100 -0.089 -1.700 617 2HG1 ILE 81 2HG1 ILE 81 4.435 -0.251 -2.238 618 1HG2 ILE 81 1HG2 ILE 81 5.652 -2.871 -1.207 619 2HG2 ILE 81 2HG2 ILE 81 5.901 -2.738 0.536 620 3HG2 ILE 81 3HG2 ILE 81 6.846 -1.738 -0.568 621 1HD1 ILE 81 1HD1 ILE 81 5.311 1.534 0.007 622 2HD1 ILE 81 2HD1 ILE 81 3.718 1.464 -0.745 623 3HD1 ILE 81 3HD1 ILE 81 5.100 2.062 -1.662 624 H ARG 82 H ARG 82 3.367 -2.035 2.021 625 HA ARG 82 HA ARG 82 4.191 -4.680 2.337 626 1HB ARG 82 1HB ARG 82 2.930 -2.603 4.005 627 2HB ARG 82 2HB ARG 82 2.613 -4.250 4.528 628 1HG ARG 82 1HG ARG 82 4.491 -3.696 5.728 629 2HG ARG 82 2HG ARG 82 5.180 -4.533 4.337 630 1HD ARG 82 1HD ARG 82 5.659 -2.389 3.278 631 2HD ARG 82 2HD ARG 82 4.940 -1.538 4.640 632 HE ARG 82 HE ARG 82 7.506 -2.923 4.603 633 1HH1 ARG 82 1HH1 ARG 82 5.093 -1.169 6.402 634 2HH1 ARG 82 2HH1 ARG 82 6.165 -0.775 7.705 635 1HH2 ARG 82 1HH2 ARG 82 8.923 -2.409 6.313 636 2HH2 ARG 82 2HH2 ARG 82 8.342 -1.479 7.653 637 H ALA 83 H ALA 83 1.056 -3.276 1.691 638 HA ALA 83 HA ALA 83 -0.562 -5.493 2.315 639 1HB ALA 83 1HB ALA 83 -1.405 -3.186 1.929 640 2HB ALA 83 2HB ALA 83 -2.286 -4.426 1.035 641 3HB ALA 83 3HB ALA 83 -1.108 -3.412 0.205 642 H PHE 84 H PHE 84 0.563 -4.342 -0.875 643 HA PHE 84 HA PHE 84 -0.274 -6.710 -2.212 644 1HB PHE 84 1HB PHE 84 0.227 -5.567 -4.086 645 2HB PHE 84 2HB PHE 84 0.577 -4.206 -3.025 646 HD1 PHE 84 HD1 PHE 84 2.962 -3.901 -2.233 647 HD2 PHE 84 HD2 PHE 84 1.897 -6.533 -5.393 648 HE1 PHE 84 HE1 PHE 84 5.297 -3.909 -3.000 649 HE2 PHE 84 HE2 PHE 84 4.229 -6.543 -6.175 650 HZ PHE 84 HZ PHE 84 5.934 -5.230 -4.976 651 H ARG 85 H ARG 85 2.427 -5.999 -0.272 652 HA ARG 85 HA ARG 85 4.357 -7.639 -1.492 653 1HB ARG 85 1HB ARG 85 4.032 -6.373 1.171 654 2HB ARG 85 2HB ARG 85 5.180 -7.698 1.054 655 1HG ARG 85 1HG ARG 85 6.361 -6.519 -0.728 656 2HG ARG 85 2HG ARG 85 5.211 -5.187 -0.610 657 1HD ARG 85 1HD ARG 85 7.289 -4.706 0.596 658 2HD ARG 85 2HD ARG 85 5.900 -4.767 1.682 659 HE ARG 85 HE ARG 85 7.337 -7.253 1.457 660 1HH1 ARG 85 1HH1 ARG 85 7.096 -4.208 3.136 661 2HH1 ARG 85 2HH1 ARG 85 7.894 -4.786 4.560 662 1HH2 ARG 85 1HH2 ARG 85 8.388 -8.018 3.328 663 2HH2 ARG 85 2HH2 ARG 85 8.629 -6.950 4.670 664 H GLU 86 H GLU 86 2.514 -8.294 1.499 665 HA GLU 86 HA GLU 86 3.228 -11.024 1.612 666 1HB GLU 86 1HB GLU 86 0.907 -9.573 2.889 667 2HB GLU 86 2HB GLU 86 1.427 -11.199 3.306 668 1HG GLU 86 1HG GLU 86 3.091 -8.709 3.593 669 2HG GLU 86 2HG GLU 86 2.231 -9.528 4.898 670 H GLU 87 H GLU 87 0.714 -9.332 -0.070 671 HA GLU 87 HA GLU 87 -0.950 -11.620 -0.487 672 1HB GLU 87 1HB GLU 87 -0.900 -8.807 -1.446 673 2HB GLU 87 2HB GLU 87 -1.774 -9.977 -2.424 674 1HG GLU 87 1HG GLU 87 -3.235 -8.831 -0.843 675 2HG GLU 87 2HG GLU 87 -3.170 -10.566 -0.543 676 H ALA 88 H ALA 88 1.394 -9.860 -2.514 677 HA ALA 88 HA ALA 88 1.093 -11.247 -4.874 678 1HB ALA 88 1HB ALA 88 3.720 -10.280 -3.767 679 2HB ALA 88 2HB ALA 88 2.528 -9.265 -4.580 680 3HB ALA 88 3HB ALA 88 3.322 -10.570 -5.460 681 H ILE 89 H ILE 89 3.319 -12.089 -2.202 682 HA ILE 89 HA ILE 89 4.406 -14.377 -3.362 683 HB ILE 89 HB ILE 89 5.211 -13.341 -1.230 684 1HG1 ILE 89 1HG1 ILE 89 4.625 -16.308 -1.295 685 2HG1 ILE 89 2HG1 ILE 89 6.081 -15.495 -1.857 686 1HG2 ILE 89 1HG2 ILE 89 2.818 -14.778 -0.079 687 2HG2 ILE 89 2HG2 ILE 89 3.084 -13.033 -0.121 688 3HG2 ILE 89 3HG2 ILE 89 4.121 -14.056 0.871 689 1HD1 ILE 89 1HD1 ILE 89 6.549 -16.591 0.211 690 2HD1 ILE 89 2HD1 ILE 89 5.167 -15.817 0.987 691 3HD1 ILE 89 3HD1 ILE 89 6.555 -14.849 0.489 692 H LYS 90 H LYS 90 1.422 -13.919 -1.550 693 HA LYS 90 HA LYS 90 0.795 -16.735 -1.625 694 1HB LYS 90 1HB LYS 90 -0.867 -14.389 -0.692 695 2HB LYS 90 2HB LYS 90 -1.272 -16.083 -0.468 696 1HG LYS 90 1HG LYS 90 1.136 -14.699 0.692 697 2HG LYS 90 2HG LYS 90 -0.352 -15.078 1.559 698 1HD LYS 90 1HD LYS 90 1.485 -17.103 0.280 699 2HD LYS 90 2HD LYS 90 1.439 -16.714 1.999 700 1HE LYS 90 1HE LYS 90 -0.819 -17.878 0.371 701 2HE LYS 90 2HE LYS 90 0.180 -18.746 1.534 702 1HZ LYS 90 1HZ LYS 90 -1.641 -16.482 2.158 703 2HZ LYS 90 2HZ LYS 90 -0.669 -17.296 3.278 704 3HZ LYS 90 3HZ LYS 90 -1.930 -18.113 2.503 705 H PHE 91 H PHE 91 0.490 -14.123 -3.701 706 HA PHE 91 HA PHE 91 -1.794 -15.317 -5.109 707 1HB PHE 91 1HB PHE 91 -0.856 -12.513 -4.804 708 2HB PHE 91 2HB PHE 91 -1.624 -12.960 -6.331 709 HD1 PHE 91 HD1 PHE 91 -3.959 -13.824 -6.321 710 HD2 PHE 91 HD2 PHE 91 -2.115 -12.234 -2.830 711 HE1 PHE 91 HE1 PHE 91 -6.168 -13.552 -5.283 712 HE2 PHE 91 HE2 PHE 91 -4.326 -11.959 -1.785 713 HZ PHE 91 HZ PHE 91 -6.365 -12.648 -3.024 714 H SER 92 H SER 92 1.256 -15.822 -5.149 715 HA SER 92 HA SER 92 2.907 -16.264 -6.662 716 1HB SER 92 1HB SER 92 0.480 -17.006 -8.306 717 2HB SER 92 2HB SER 92 2.134 -17.498 -8.668 718 HG SER 92 HG SER 92 2.157 -18.563 -6.626 719 H GLU 93 H GLU 93 3.288 -13.882 -6.743 720 HA GLU 93 HA GLU 93 3.264 -13.019 -9.519 721 1HB GLU 93 1HB GLU 93 1.849 -11.591 -7.291 722 2HB GLU 93 2HB GLU 93 2.521 -10.677 -8.642 723 1HG GLU 93 1HG GLU 93 0.511 -12.910 -8.863 724 2HG GLU 93 2HG GLU 93 0.145 -11.188 -8.935 725 H GLU 94 H GLU 94 5.494 -13.238 -9.500 726 HA GLU 94 HA GLU 94 7.072 -11.835 -7.518 727 1HB GLU 94 1HB GLU 94 9.004 -12.783 -8.678 728 2HB GLU 94 2HB GLU 94 7.813 -14.024 -8.319 729 1HG GLU 94 1HG GLU 94 7.016 -13.917 -10.632 730 2HG GLU 94 2HG GLU 94 8.239 -12.699 -10.986 731 H GLN 95 H GLN 95 6.406 -11.585 -10.990 732 HA GLN 95 HA GLN 95 8.131 -9.463 -11.575 733 1HB GLN 95 1HB GLN 95 7.233 -10.556 -13.434 734 2HB GLN 95 2HB GLN 95 5.592 -10.476 -12.810 735 1HG GLN 95 1HG GLN 95 5.485 -8.109 -13.272 736 2HG GLN 95 2HG GLN 95 7.172 -8.108 -13.789 737 1HE2 GLN 95 1HE2 GLN 95 3.923 -9.033 -14.597 738 2HE2 GLN 95 2HE2 GLN 95 4.214 -9.367 -16.266 739 H ARG 96 H ARG 96 4.797 -9.472 -10.432 740 HA ARG 96 HA ARG 96 4.242 -6.755 -10.625 741 1HB ARG 96 1HB ARG 96 3.077 -9.065 -9.403 742 2HB ARG 96 2HB ARG 96 3.029 -7.736 -8.256 743 1HG ARG 96 1HG ARG 96 2.079 -7.402 -11.076 744 2HG ARG 96 2HG ARG 96 1.037 -8.057 -9.811 745 1HD ARG 96 1HD ARG 96 0.668 -5.688 -10.036 746 2HD ARG 96 2HD ARG 96 1.406 -6.038 -8.473 747 HE ARG 96 HE ARG 96 3.560 -5.373 -9.743 748 1HH1 ARG 96 1HH1 ARG 96 0.414 -3.960 -10.228 749 2HH1 ARG 96 2HH1 ARG 96 1.038 -2.405 -10.659 750 1HH2 ARG 96 1HH2 ARG 96 4.388 -3.331 -10.308 751 2HH2 ARG 96 2HH2 ARG 96 3.296 -2.047 -10.707 752 H PHE 97 H PHE 97 6.204 -8.483 -8.350 753 HA PHE 97 HA PHE 97 6.199 -6.447 -6.358 754 1HB PHE 97 1HB PHE 97 6.777 -8.969 -6.119 755 2HB PHE 97 2HB PHE 97 8.380 -8.494 -6.665 756 HD1 PHE 97 HD1 PHE 97 9.343 -6.376 -5.353 757 HD2 PHE 97 HD2 PHE 97 6.433 -9.096 -3.854 758 HE1 PHE 97 HE1 PHE 97 9.943 -5.744 -3.054 759 HE2 PHE 97 HE2 PHE 97 7.029 -8.469 -1.550 760 HZ PHE 97 HZ PHE 97 8.783 -6.843 -1.133 761 H ASN 98 H ASN 98 8.703 -7.494 -8.679 762 HA ASN 98 HA ASN 98 10.387 -5.293 -8.073 763 1HB ASN 98 1HB ASN 98 11.604 -5.935 -10.153 764 2HB ASN 98 2HB ASN 98 11.347 -7.287 -9.053 765 1HD2 ASN 98 1HD2 ASN 98 10.377 -5.810 -12.057 766 2HD2 ASN 98 2HD2 ASN 98 9.613 -7.208 -12.726 767 H ASN 99 H ASN 99 7.570 -5.635 -9.996 768 HA ASN 99 HA ASN 99 8.175 -3.436 -11.738 769 1HB ASN 99 1HB ASN 99 6.579 -5.392 -12.234 770 2HB ASN 99 2HB ASN 99 5.413 -4.534 -11.227 771 1HD2 ASN 99 1HD2 ASN 99 4.629 -2.519 -11.927 772 2HD2 ASN 99 2HD2 ASN 99 4.714 -2.045 -13.584 773 H PHE 100 H PHE 100 5.963 -3.873 -8.949 774 HA PHE 100 HA PHE 100 5.223 -1.112 -8.962 775 1HB PHE 100 1HB PHE 100 3.682 -2.651 -7.995 776 2HB PHE 100 2HB PHE 100 4.891 -3.323 -6.937 777 HD1 PHE 100 HD1 PHE 100 2.985 -3.098 -5.322 778 HD2 PHE 100 HD2 PHE 100 4.990 0.273 -6.955 779 HE1 PHE 100 HE1 PHE 100 2.150 -1.711 -3.476 780 HE2 PHE 100 HE2 PHE 100 4.168 1.661 -5.103 781 HZ PHE 100 HZ PHE 100 2.742 0.672 -3.363 782 H LEU 101 H LEU 101 7.761 -2.986 -7.402 783 HA LEU 101 HA LEU 101 8.504 -0.882 -5.643 784 1HB LEU 101 1HB LEU 101 9.066 -3.319 -5.350 785 2HB LEU 101 2HB LEU 101 10.270 -3.119 -6.604 786 HG LEU 101 HG LEU 101 11.760 -2.097 -5.207 787 1HD1 LEU 101 1HD1 LEU 101 11.179 -0.602 -3.364 788 2HD1 LEU 101 2HD1 LEU 101 9.464 -0.890 -3.658 789 3HD1 LEU 101 3HD1 LEU 101 10.444 -0.074 -4.876 790 1HD2 LEU 101 1HD2 LEU 101 11.072 -2.821 -2.728 791 2HD2 LEU 101 2HD2 LEU 101 11.628 -3.974 -3.940 792 3HD2 LEU 101 3HD2 LEU 101 9.904 -3.786 -3.630 793 H LYS 102 H LYS 102 9.823 -1.981 -8.791 794 HA LYS 102 HA LYS 102 11.787 0.115 -8.703 795 1HB LYS 102 1HB LYS 102 10.946 -1.629 -11.025 796 2HB LYS 102 2HB LYS 102 12.346 -0.568 -11.003 797 1HG LYS 102 1HG LYS 102 11.897 -3.082 -9.421 798 2HG LYS 102 2HG LYS 102 13.147 -2.752 -10.616 799 1HD LYS 102 1HD LYS 102 12.895 -1.578 -7.850 800 2HD LYS 102 2HD LYS 102 14.143 -2.677 -8.437 801 1HE LYS 102 1HE LYS 102 14.604 -0.783 -10.168 802 2HE LYS 102 2HE LYS 102 13.747 0.230 -9.004 803 1HZ LYS 102 1HZ LYS 102 16.128 0.273 -8.622 804 2HZ LYS 102 2HZ LYS 102 16.158 -1.406 -8.426 805 3HZ LYS 102 3HZ LYS 102 15.332 -0.440 -7.309 806 H ALA 103 H ALA 103 8.518 -0.142 -9.773 807 HA ALA 103 HA ALA 103 8.715 2.178 -11.485 808 1HB ALA 103 1HB ALA 103 6.271 0.674 -10.554 809 2HB ALA 103 2HB ALA 103 7.129 0.420 -12.073 810 3HB ALA 103 3HB ALA 103 6.294 1.945 -11.778 811 H LEU 104 H LEU 104 7.436 1.402 -8.274 812 HA LEU 104 HA LEU 104 6.370 3.988 -7.822 813 1HB LEU 104 1HB LEU 104 6.094 3.353 -5.563 814 2HB LEU 104 2HB LEU 104 5.887 1.871 -6.468 815 HG LEU 104 HG LEU 104 8.435 1.521 -5.930 816 1HD1 LEU 104 1HD1 LEU 104 7.710 3.065 -3.484 817 2HD1 LEU 104 2HD1 LEU 104 8.445 3.873 -4.866 818 3HD1 LEU 104 3HD1 LEU 104 9.296 2.556 -4.060 819 1HD2 LEU 104 1HD2 LEU 104 6.215 1.159 -3.928 820 2HD2 LEU 104 2HD2 LEU 104 7.804 0.404 -3.803 821 3HD2 LEU 104 3HD2 LEU 104 6.744 0.009 -5.155 822 H GLN 105 H GLN 105 9.451 2.407 -7.165 823 HA GLN 105 HA GLN 105 10.653 4.552 -5.788 824 1HB GLN 105 1HB GLN 105 11.704 2.595 -5.365 825 2HB GLN 105 2HB GLN 105 11.553 2.003 -7.014 826 1HG GLN 105 1HG GLN 105 13.292 3.881 -7.525 827 2HG GLN 105 2HG GLN 105 13.600 3.757 -5.794 828 1HE2 GLN 105 1HE2 GLN 105 15.334 3.118 -8.044 829 2HE2 GLN 105 2HE2 GLN 105 15.780 1.461 -7.842 830 H GLU 106 H GLU 106 11.089 3.454 -9.187 831 HA GLU 106 HA GLU 106 12.780 5.495 -9.972 832 1HB GLU 106 1HB GLU 106 12.005 5.160 -12.241 833 2HB GLU 106 2HB GLU 106 12.105 3.597 -11.437 834 1HG GLU 106 1HG GLU 106 9.728 3.598 -11.071 835 2HG GLU 106 2HG GLU 106 9.589 5.202 -11.789 836 H LYS 107 H LYS 107 9.286 5.450 -9.522 837 HA LYS 107 HA LYS 107 8.780 8.009 -10.597 838 1HB LYS 107 1HB LYS 107 6.941 6.546 -10.339 839 2HB LYS 107 2HB LYS 107 7.313 6.238 -8.651 840 1HG LYS 107 1HG LYS 107 6.859 8.989 -8.819 841 2HG LYS 107 2HG LYS 107 5.615 8.233 -9.814 842 1HD LYS 107 1HD LYS 107 6.254 7.526 -6.950 843 2HD LYS 107 2HD LYS 107 4.874 8.482 -7.495 844 1HE LYS 107 1HE LYS 107 4.014 6.584 -8.734 845 2HE LYS 107 2HE LYS 107 5.428 5.631 -8.299 846 1HZ LYS 107 1HZ LYS 107 4.769 5.806 -5.970 847 2HZ LYS 107 2HZ LYS 107 3.561 5.071 -6.897 848 3HZ LYS 107 3HZ LYS 107 3.390 6.682 -6.413 849 H VAL 108 H VAL 108 9.624 6.915 -7.312 850 HA VAL 108 HA VAL 108 9.216 9.380 -6.016 851 HB VAL 108 HB VAL 108 10.298 8.527 -4.159 852 1HG1 VAL 108 1HG1 VAL 108 9.624 6.295 -3.855 853 2HG1 VAL 108 2HG1 VAL 108 9.675 5.982 -5.587 854 3HG1 VAL 108 3HG1 VAL 108 8.450 7.063 -4.924 855 1HG2 VAL 108 1HG2 VAL 108 12.171 7.316 -6.088 856 2HG2 VAL 108 2HG2 VAL 108 11.942 6.474 -4.558 857 3HG2 VAL 108 3HG2 VAL 108 12.487 8.151 -4.569 858 H GLU 109 H GLU 109 11.971 8.119 -7.824 859 HA GLU 109 HA GLU 109 13.710 10.289 -7.118 860 1HB GLU 109 1HB GLU 109 14.405 9.058 -9.644 861 2HB GLU 109 2HB GLU 109 15.294 9.074 -8.129 862 1HG GLU 109 1HG GLU 109 13.863 7.190 -7.354 863 2HG GLU 109 2HG GLU 109 13.165 7.130 -8.973 864 H ILE 110 H ILE 110 11.602 9.558 -9.841 865 HA ILE 110 HA ILE 110 12.354 11.751 -11.453 866 HB ILE 110 HB ILE 110 10.099 9.823 -11.437 867 1HG1 ILE 110 1HG1 ILE 110 10.830 9.528 -13.790 868 2HG1 ILE 110 2HG1 ILE 110 12.049 10.773 -13.541 869 1HG2 ILE 110 1HG2 ILE 110 9.038 11.006 -13.357 870 2HG2 ILE 110 2HG2 ILE 110 10.048 12.404 -12.989 871 3HG2 ILE 110 3HG2 ILE 110 8.862 11.838 -11.811 872 1HD1 ILE 110 1HD1 ILE 110 13.128 8.684 -13.368 873 2HD1 ILE 110 2HD1 ILE 110 11.892 8.061 -12.275 874 3HD1 ILE 110 3HD1 ILE 110 12.998 9.324 -11.730 875 H LYS 111 H LYS 111 10.016 11.400 -8.851 876 HA LYS 111 HA LYS 111 9.216 14.193 -9.289 877 1HB LYS 111 1HB LYS 111 7.704 11.812 -8.362 878 2HB LYS 111 2HB LYS 111 7.252 13.383 -7.715 879 1HG LYS 111 1HG LYS 111 7.153 14.152 -10.151 880 2HG LYS 111 2HG LYS 111 7.169 12.432 -10.552 881 1HD LYS 111 1HD LYS 111 5.196 13.698 -8.656 882 2HD LYS 111 2HD LYS 111 4.885 13.459 -10.380 883 1HE LYS 111 1HE LYS 111 5.275 11.031 -10.067 884 2HE LYS 111 2HE LYS 111 5.462 11.315 -8.336 885 1HZ LYS 111 1HZ LYS 111 3.196 12.139 -8.261 886 2HZ LYS 111 2HZ LYS 111 3.228 10.570 -8.887 887 3HZ LYS 111 3HZ LYS 111 3.018 11.888 -9.924 888 H GLN 112 H GLN 112 7.962 14.722 -6.969 889 HA GLN 112 HA GLN 112 10.172 15.276 -5.189 890 1HB GLN 112 1HB GLN 112 7.333 16.153 -5.469 891 2HB GLN 112 2HB GLN 112 8.198 16.476 -3.974 892 1HG GLN 112 1HG GLN 112 9.019 17.402 -6.722 893 2HG GLN 112 2HG GLN 112 8.263 18.394 -5.477 894 1HE2 GLN 112 1HE2 GLN 112 10.836 18.708 -6.818 895 2HE2 GLN 112 2HE2 GLN 112 12.027 18.729 -5.567 896 H LEU 113 H LEU 113 9.815 12.619 -5.003 897 HA LEU 113 HA LEU 113 8.486 12.405 -2.405 898 1HB LEU 113 1HB LEU 113 8.237 10.482 -4.705 899 2HB LEU 113 2HB LEU 113 7.644 10.182 -3.080 900 HG LEU 113 HG LEU 113 5.809 10.898 -4.392 901 1HD1 LEU 113 1HD1 LEU 113 6.441 12.026 -2.060 902 2HD1 LEU 113 2HD1 LEU 113 4.922 12.305 -2.908 903 3HD1 LEU 113 3HD1 LEU 113 6.244 13.459 -3.069 904 1HD2 LEU 113 1HD2 LEU 113 7.606 12.365 -5.852 905 2HD2 LEU 113 2HD2 LEU 113 6.574 13.570 -5.078 906 3HD2 LEU 113 3HD2 LEU 113 5.859 12.307 -6.079 907 H ASN 114 H ASN 114 11.209 12.802 -2.786 908 HA ASN 114 HA ASN 114 12.647 10.358 -2.705 909 1HB ASN 114 1HB ASN 114 13.374 13.140 -1.761 910 2HB ASN 114 2HB ASN 114 14.494 11.783 -1.741 911 1HD2 ASN 114 1HD2 ASN 114 12.121 12.278 -4.265 912 2HD2 ASN 114 2HD2 ASN 114 13.250 12.661 -5.513 913 H HIS 115 H HIS 115 11.206 12.472 -0.290 914 HA HIS 115 HA HIS 115 12.238 11.387 2.046 915 1HB HIS 115 1HB HIS 115 9.350 12.207 1.764 916 2HB HIS 115 2HB HIS 115 10.385 12.344 3.181 917 HD1 HIS 115 HD1 HIS 115 9.055 14.295 0.482 918 HD2 HIS 115 HD2 HIS 115 12.573 14.325 2.695 919 HE1 HIS 115 HE1 HIS 115 10.048 16.578 0.134 920 HE2 HIS 115 HE2 HIS 115 12.207 16.554 1.434 921 H PHE 116 H PHE 116 9.451 10.396 0.125 922 HA PHE 116 HA PHE 116 8.540 8.278 1.659 923 1HB PHE 116 1HB PHE 116 7.251 8.958 -0.225 924 2HB PHE 116 2HB PHE 116 8.606 8.748 -1.322 925 HD1 PHE 116 HD1 PHE 116 7.483 6.355 1.249 926 HD2 PHE 116 HD2 PHE 116 7.645 7.276 -2.902 927 HE1 PHE 116 HE1 PHE 116 6.681 4.092 0.721 928 HE2 PHE 116 HE2 PHE 116 6.841 5.012 -3.436 929 HZ PHE 116 HZ PHE 116 6.338 3.445 -1.701 930 H TRP 117 H TRP 117 10.909 8.260 -0.989 931 HA TRP 117 HA TRP 117 11.725 5.628 -0.842 932 1HB TRP 117 1HB TRP 117 12.542 6.901 -2.655 933 2HB TRP 117 2HB TRP 117 13.193 8.148 -1.599 934 HD1 TRP 117 HD1 TRP 117 15.669 7.916 -0.883 935 HE1 TRP 117 HE1 TRP 117 17.517 6.175 -1.298 936 HE3 TRP 117 HE3 TRP 117 12.838 4.215 -2.982 937 HZ2 TRP 117 HZ2 TRP 117 17.745 3.578 -2.374 938 HZ3 TRP 117 HZ3 TRP 117 13.949 2.132 -3.678 939 HH2 TRP 117 HH2 TRP 117 16.353 1.824 -3.379 940 H GLU 118 H GLU 118 12.707 8.407 1.092 941 HA GLU 118 HA GLU 118 14.864 7.301 2.453 942 1HB GLU 118 1HB GLU 118 12.843 9.282 3.518 943 2HB GLU 118 2HB GLU 118 14.420 8.959 4.215 944 1HG GLU 118 1HG GLU 118 13.860 10.167 1.520 945 2HG GLU 118 2HG GLU 118 14.488 10.992 2.943 946 H ILE 119 H ILE 119 11.435 7.428 3.567 947 HA ILE 119 HA ILE 119 11.932 5.897 5.872 948 HB ILE 119 HB ILE 119 9.580 5.501 6.079 949 1HG1 ILE 119 1HG1 ILE 119 9.374 6.429 3.213 950 2HG1 ILE 119 2HG1 ILE 119 8.992 4.827 3.832 951 1HG2 ILE 119 1HG2 ILE 119 10.491 7.758 6.528 952 2HG2 ILE 119 2HG2 ILE 119 8.777 7.752 6.112 953 3HG2 ILE 119 3HG2 ILE 119 9.975 8.246 4.913 954 1HD1 ILE 119 1HD1 ILE 119 6.954 5.985 3.437 955 2HD1 ILE 119 2HD1 ILE 119 7.512 7.393 4.343 956 3HD1 ILE 119 3HD1 ILE 119 7.180 5.877 5.183 957 H VAL 120 H VAL 120 11.253 4.890 2.537 958 HA VAL 120 HA VAL 120 10.848 2.166 3.202 959 HB VAL 120 HB VAL 120 10.577 1.786 1.032 960 1HG1 VAL 120 1HG1 VAL 120 11.165 4.709 0.692 961 2HG1 VAL 120 2HG1 VAL 120 9.615 4.013 1.157 962 3HG1 VAL 120 3HG1 VAL 120 10.285 3.689 -0.443 963 1HG2 VAL 120 1HG2 VAL 120 12.910 1.404 0.674 964 2HG2 VAL 120 2HG2 VAL 120 13.209 3.133 0.505 965 3HG2 VAL 120 3HG2 VAL 120 12.241 2.282 -0.700 966 H VAL 121 H VAL 121 13.819 4.035 2.560 967 HA VAL 121 HA VAL 121 15.574 1.803 2.614 968 HB VAL 121 HB VAL 121 17.309 3.243 2.484 969 1HG1 VAL 121 1HG1 VAL 121 15.546 4.102 0.933 970 2HG1 VAL 121 2HG1 VAL 121 16.817 5.248 1.363 971 3HG1 VAL 121 3HG1 VAL 121 15.229 5.365 2.123 972 1HG2 VAL 121 1HG2 VAL 121 17.478 5.380 3.771 973 2HG2 VAL 121 2HG2 VAL 121 17.386 3.913 4.745 974 3HG2 VAL 121 3HG2 VAL 121 15.964 4.938 4.561 975 H GLN 122 H GLN 122 14.166 3.866 5.031 976 HA GLN 122 HA GLN 122 15.633 2.809 7.253 977 1HB GLN 122 1HB GLN 122 14.497 5.097 7.028 978 2HB GLN 122 2HB GLN 122 12.998 4.248 7.388 979 1HG GLN 122 1HG GLN 122 13.701 5.083 9.430 980 2HG GLN 122 2HG GLN 122 14.183 3.385 9.455 981 1HE2 GLN 122 1HE2 GLN 122 15.284 6.674 9.262 982 2HE2 GLN 122 2HE2 GLN 122 16.954 6.347 9.561 983 H ASP 123 H ASP 123 12.910 1.847 5.438 984 HA ASP 123 HA ASP 123 12.048 -0.033 7.530 985 1HB ASP 123 1HB ASP 123 10.640 1.203 5.176 986 2HB ASP 123 2HB ASP 123 10.017 -0.259 5.938 987 H GLY 124 H GLY 124 13.983 0.072 4.851 988 1HA GLY 124 1HA GLY 124 14.856 -1.535 3.454 989 2HA GLY 124 2HA GLY 124 14.314 -2.705 4.653 990 H ILE 125 H ILE 125 12.796 -0.526 2.284 991 HA ILE 125 HA ILE 125 11.122 -2.787 1.406 992 HB ILE 125 HB ILE 125 10.288 0.106 1.385 993 1HG1 ILE 125 1HG1 ILE 125 10.624 -0.590 3.702 994 2HG1 ILE 125 2HG1 ILE 125 8.905 -0.425 3.359 995 1HG2 ILE 125 1HG2 ILE 125 8.048 -0.803 1.073 996 2HG2 ILE 125 2HG2 ILE 125 8.708 -2.439 1.077 997 3HG2 ILE 125 3HG2 ILE 125 9.136 -1.317 -0.215 998 1HD1 ILE 125 1HD1 ILE 125 9.340 -2.386 4.708 999 2HD1 ILE 125 2HD1 ILE 125 10.446 -3.007 3.484 1000 3HD1 ILE 125 3HD1 ILE 125 8.728 -2.850 3.121 1001 H THR 126 H THR 126 13.223 -2.816 -0.029 1002 HA THR 126 HA THR 126 12.449 -1.575 -2.552 1003 HB THR 126 HB THR 126 15.302 -1.432 -1.606 1004 HG1 THR 126 HG1 THR 126 14.201 0.011 -0.328 1005 1HG2 THR 126 1HG2 THR 126 13.824 -0.239 -3.943 1006 2HG2 THR 126 2HG2 THR 126 15.135 -1.422 -3.992 1007 3HG2 THR 126 3HG2 THR 126 15.458 0.231 -3.469 1008 H LEU 127 H LEU 127 13.799 -2.465 -4.385 1009 HA LEU 127 HA LEU 127 14.064 -4.322 -5.666 1010 1HB LEU 127 1HB LEU 127 16.158 -5.499 -5.245 1011 2HB LEU 127 2HB LEU 127 16.331 -3.765 -5.126 1012 HG LEU 127 HG LEU 127 16.096 -5.503 -2.694 1013 1HD1 LEU 127 1HD1 LEU 127 18.346 -5.165 -4.477 1014 2HD1 LEU 127 2HD1 LEU 127 18.029 -6.395 -3.254 1015 3HD1 LEU 127 3HD1 LEU 127 18.686 -4.831 -2.780 1016 1HD2 LEU 127 1HD2 LEU 127 17.434 -3.487 -1.842 1017 2HD2 LEU 127 2HD2 LEU 127 15.695 -3.402 -1.972 1018 3HD2 LEU 127 3HD2 LEU 127 16.698 -2.673 -3.220 1019 H ILE 128 H ILE 128 14.852 -6.864 -5.386 1020 HA ILE 128 HA ILE 128 12.607 -8.030 -3.929 1021 HB ILE 128 HB ILE 128 14.560 -9.453 -5.746 1022 1HG1 ILE 128 1HG1 ILE 128 13.400 -7.698 -7.003 1023 2HG1 ILE 128 2HG1 ILE 128 12.799 -9.283 -7.478 1024 1HG2 ILE 128 1HG2 ILE 128 11.773 -10.286 -4.987 1025 2HG2 ILE 128 2HG2 ILE 128 13.194 -10.752 -4.051 1026 3HG2 ILE 128 3HG2 ILE 128 13.044 -11.256 -5.735 1027 1HD1 ILE 128 1HD1 ILE 128 11.436 -7.335 -5.632 1028 2HD1 ILE 128 2HD1 ILE 128 10.837 -8.943 -6.036 1029 3HD1 ILE 128 3HD1 ILE 128 10.977 -7.714 -7.293 1030 H THR 129 H THR 129 12.932 -8.555 -1.911 1031 HA THR 129 HA THR 129 15.530 -8.806 -0.806 1032 HB THR 129 HB THR 129 14.450 -9.195 1.298 1033 HG1 THR 129 HG1 THR 129 11.858 -9.194 0.378 1034 1HG2 THR 129 1HG2 THR 129 12.759 -7.273 -0.288 1035 2HG2 THR 129 2HG2 THR 129 14.355 -6.910 0.363 1036 3HG2 THR 129 3HG2 THR 129 13.018 -7.258 1.456 1037 H LYS 130 H LYS 130 16.245 -10.500 -2.265 1038 HA LYS 130 HA LYS 130 16.702 -12.873 -1.003 1039 1HB LYS 130 1HB LYS 130 15.325 -14.505 -2.219 1040 2HB LYS 130 2HB LYS 130 14.345 -13.438 -1.235 1041 1HG LYS 130 1HG LYS 130 14.268 -12.111 -3.568 1042 2HG LYS 130 2HG LYS 130 14.449 -13.764 -4.157 1043 1HD LYS 130 1HD LYS 130 12.319 -12.755 -2.281 1044 2HD LYS 130 2HD LYS 130 12.098 -13.172 -3.977 1045 1HE LYS 130 1HE LYS 130 11.344 -15.078 -2.934 1046 2HE LYS 130 2HE LYS 130 13.031 -15.492 -3.231 1047 1HZ LYS 130 1HZ LYS 130 13.579 -15.049 -0.991 1048 2HZ LYS 130 2HZ LYS 130 12.178 -15.996 -0.945 1049 3HZ LYS 130 3HZ LYS 130 12.081 -14.330 -0.675 1050 H GLU 131 H GLU 131 15.759 -12.038 -4.347 1051 HA GLU 131 HA GLU 131 18.185 -11.623 -5.481 1052 1HB GLU 131 1HB GLU 131 18.671 -13.895 -6.527 1053 2HB GLU 131 2HB GLU 131 19.055 -13.738 -4.817 1054 1HG GLU 131 1HG GLU 131 16.949 -14.843 -4.249 1055 2HG GLU 131 2HG GLU 131 16.580 -15.018 -5.961 1056 H GLU 132 H GLU 132 15.627 -10.772 -5.997 1057 HA GLU 132 HA GLU 132 14.144 -10.384 -7.685 1058 1HB GLU 132 1HB GLU 132 16.250 -11.739 -9.379 1059 2HB GLU 132 2HB GLU 132 14.901 -10.791 -9.993 1060 1HG GLU 132 1HG GLU 132 15.782 -8.808 -8.866 1061 2HG GLU 132 2HG GLU 132 17.142 -9.763 -8.264 1062 H ALA 133 H ALA 133 13.767 -12.684 -6.120 1063 HA ALA 133 HA ALA 133 12.502 -14.499 -8.065 1064 1HB ALA 133 1HB ALA 133 12.920 -16.343 -6.495 1065 2HB ALA 133 2HB ALA 133 13.804 -15.230 -5.450 1066 3HB ALA 133 3HB ALA 133 14.411 -15.594 -7.065 1067 H SER 134 H SER 134 11.109 -16.096 -6.352 1068 HA SER 134 HA SER 134 9.276 -14.257 -4.952 1069 1HB SER 134 1HB SER 134 7.412 -15.699 -5.658 1070 2HB SER 134 2HB SER 134 8.278 -15.062 -7.055 1071 HG SER 134 HG SER 134 7.942 -17.247 -7.370 1072 H GLY 135 H GLY 135 11.175 -17.088 -4.886 1073 1HA GLY 135 1HA GLY 135 10.529 -17.524 -2.091 1074 2HA GLY 135 2HA GLY 135 10.126 -18.858 -3.162 1075 H SER 136 H SER 136 12.649 -17.123 -1.571 1076 HA SER 136 HA SER 136 14.579 -19.156 -2.466 1077 1HB SER 136 1HB SER 136 15.036 -16.182 -2.189 1078 2HB SER 136 2HB SER 136 16.342 -17.354 -2.348 1079 HG SER 136 HG SER 136 15.991 -17.348 -4.409 1080 H SER 137 H SER 137 16.701 -18.699 -0.966 1081 HA SER 137 HA SER 137 15.699 -19.041 1.769 1082 1HB SER 137 1HB SER 137 17.871 -20.124 2.221 1083 2HB SER 137 2HB SER 137 17.025 -20.900 0.885 1084 HG SER 137 HG SER 137 19.272 -19.201 0.813 1085 H VAL 138 H VAL 138 17.103 -16.726 -0.158 1086 HA VAL 138 HA VAL 138 18.903 -15.545 1.729 1087 HB VAL 138 HB VAL 138 17.610 -14.305 -0.705 1088 1HG1 VAL 138 1HG1 VAL 138 20.017 -13.471 0.906 1089 2HG1 VAL 138 2HG1 VAL 138 18.473 -12.624 0.807 1090 3HG1 VAL 138 3HG1 VAL 138 19.509 -12.738 -0.615 1091 1HG2 VAL 138 1HG2 VAL 138 18.876 -16.293 -1.297 1092 2HG2 VAL 138 2HG2 VAL 138 20.271 -15.691 -0.403 1093 3HG2 VAL 138 3HG2 VAL 138 19.716 -14.842 -1.846 1094 H THR 139 H THR 139 18.609 -13.591 2.881 1095 HA THR 139 HA THR 139 15.813 -13.149 3.660 1096 HB THR 139 HB THR 139 17.179 -13.874 5.497 1097 HG1 THR 139 HG1 THR 139 16.882 -12.084 6.895 1098 1HG2 THR 139 1HG2 THR 139 19.354 -13.220 4.546 1099 2HG2 THR 139 2HG2 THR 139 19.169 -12.694 6.221 1100 3HG2 THR 139 3HG2 THR 139 18.987 -11.532 4.905 1101 H ALA 140 H ALA 140 15.722 -10.813 4.799 1102 HA ALA 140 HA ALA 140 15.459 -8.944 2.802 1103 1HB ALA 140 1HB ALA 140 14.360 -8.827 4.991 1104 2HB ALA 140 2HB ALA 140 15.130 -7.305 4.540 1105 3HB ALA 140 3HB ALA 140 15.898 -8.367 5.720 1106 H GLU 141 H GLU 141 18.394 -9.940 4.206 1107 HA GLU 141 HA GLU 141 19.967 -7.727 4.402 1108 1HB GLU 141 1HB GLU 141 20.532 -10.487 3.407 1109 2HB GLU 141 2HB GLU 141 21.790 -9.260 3.307 1110 1HG GLU 141 1HG GLU 141 21.648 -8.875 5.684 1111 2HG GLU 141 2HG GLU 141 20.331 -10.036 5.813 1112 H GLU 142 H GLU 142 18.941 -9.288 1.390 1113 HA GLU 142 HA GLU 142 20.483 -7.959 -0.463 1114 1HB GLU 142 1HB GLU 142 17.658 -8.941 -0.473 1115 2HB GLU 142 2HB GLU 142 18.198 -7.950 -1.813 1116 1HG GLU 142 1HG GLU 142 19.507 -10.510 -0.910 1117 2HG GLU 142 2HG GLU 142 18.380 -10.364 -2.259 1118 H ALA 143 H ALA 143 17.258 -6.971 0.550 1119 HA ALA 143 HA ALA 143 17.285 -4.421 -0.516 1120 1HB ALA 143 1HB ALA 143 15.898 -5.374 1.977 1121 2HB ALA 143 2HB ALA 143 15.303 -5.577 0.327 1122 3HB ALA 143 3HB ALA 143 15.458 -3.957 1.016 1123 H LYS 144 H LYS 144 18.039 -5.491 2.749 1124 HA LYS 144 HA LYS 144 18.754 -3.190 3.994 1125 1HB LYS 144 1HB LYS 144 18.832 -5.091 5.316 1126 2HB LYS 144 2HB LYS 144 19.739 -6.006 4.127 1127 1HG LYS 144 1HG LYS 144 21.711 -4.527 4.682 1128 2HG LYS 144 2HG LYS 144 20.761 -3.946 6.052 1129 1HD LYS 144 1HD LYS 144 21.489 -6.831 5.520 1130 2HD LYS 144 2HD LYS 144 22.290 -5.772 6.684 1131 1HE LYS 144 1HE LYS 144 20.808 -6.943 8.017 1132 2HE LYS 144 2HE LYS 144 19.909 -5.470 7.664 1133 1HZ LYS 144 1HZ LYS 144 19.596 -8.001 6.146 1134 2HZ LYS 144 2HZ LYS 144 18.637 -6.612 6.024 1135 3HZ LYS 144 3HZ LYS 144 18.599 -7.543 7.434 1136 H LYS 145 H LYS 145 20.486 -4.877 1.461 1137 HA LYS 145 HA LYS 145 22.837 -3.201 1.781 1138 1HB LYS 145 1HB LYS 145 22.161 -5.414 -0.152 1139 2HB LYS 145 2HB LYS 145 23.658 -4.496 -0.224 1140 1HG LYS 145 1HG LYS 145 22.750 -6.093 2.162 1141 2HG LYS 145 2HG LYS 145 23.879 -6.668 0.934 1142 1HD LYS 145 1HD LYS 145 25.426 -4.872 1.489 1143 2HD LYS 145 2HD LYS 145 24.284 -4.233 2.673 1144 1HE LYS 145 1HE LYS 145 26.039 -5.533 3.759 1145 2HE LYS 145 2HE LYS 145 24.463 -6.298 3.965 1146 1HZ LYS 145 1HZ LYS 145 26.148 -7.923 3.411 1147 2HZ LYS 145 2HZ LYS 145 26.535 -7.092 1.990 1148 3HZ LYS 145 3HZ LYS 145 25.015 -7.815 2.159 1149 H PHE 146 H PHE 146 20.137 -3.512 -0.548 1150 HA PHE 146 HA PHE 146 21.190 -1.829 -2.505 1151 1HB PHE 146 1HB PHE 146 19.082 -3.258 -2.616 1152 2HB PHE 146 2HB PHE 146 18.274 -1.837 -1.956 1153 HD1 PHE 146 HD1 PHE 146 18.745 -3.497 -4.842 1154 HD2 PHE 146 HD2 PHE 146 19.259 0.429 -3.292 1155 HE1 PHE 146 HE1 PHE 146 18.567 -2.583 -7.112 1156 HE2 PHE 146 HE2 PHE 146 19.077 1.352 -5.561 1157 HZ PHE 146 HZ PHE 146 18.730 -0.153 -7.479 1158 H LEU 147 H LEU 147 18.961 -1.013 0.152 1159 HA LEU 147 HA LEU 147 19.248 1.813 -0.440 1160 1HB LEU 147 1HB LEU 147 17.646 2.033 1.539 1161 2HB LEU 147 2HB LEU 147 17.046 1.372 0.042 1162 HG LEU 147 HG LEU 147 16.305 0.296 2.246 1163 1HD1 LEU 147 1HD1 LEU 147 16.359 -1.967 1.217 1164 2HD1 LEU 147 2HD1 LEU 147 17.395 -1.307 -0.046 1165 3HD1 LEU 147 3HD1 LEU 147 15.759 -0.688 0.163 1166 1HD2 LEU 147 1HD2 LEU 147 18.512 0.132 3.284 1167 2HD2 LEU 147 2HD2 LEU 147 19.028 -0.976 2.012 1168 3HD2 LEU 147 3HD2 LEU 147 17.746 -1.450 3.129 1169 H ALA 148 H ALA 148 21.566 0.369 0.568 1170 HA ALA 148 HA ALA 148 21.881 1.549 3.226 1171 1HB ALA 148 1HB ALA 148 23.665 -0.390 1.766 1172 2HB ALA 148 2HB ALA 148 22.489 -0.796 3.015 1173 3HB ALA 148 3HB ALA 148 23.896 0.186 3.417 1174 HA PRO 149 HA PRO 149 24.448 4.750 1.545 1175 1HB PRO 149 1HB PRO 149 25.617 5.358 4.063 1176 2HB PRO 149 2HB PRO 149 24.221 6.129 3.315 1177 1HG PRO 149 1HG PRO 149 24.157 4.583 5.623 1178 2HG PRO 149 2HG PRO 149 22.758 4.976 4.610 1179 1HD PRO 149 1HD PRO 149 24.398 2.481 4.702 1180 2HD PRO 149 2HD PRO 149 22.651 2.678 4.441 1181 H LYS 150 H LYS 150 25.614 1.858 2.280 1182 HA LYS 150 HA LYS 150 28.424 2.699 2.006 1183 1HB LYS 150 1HB LYS 150 29.024 0.551 3.117 1184 2HB LYS 150 2HB LYS 150 28.143 1.663 4.155 1185 1HG LYS 150 1HG LYS 150 26.089 0.401 3.780 1186 2HG LYS 150 2HG LYS 150 26.967 -0.712 2.726 1187 1HD LYS 150 1HD LYS 150 28.413 -1.337 4.607 1188 2HD LYS 150 2HD LYS 150 27.515 -0.239 5.656 1189 1HE LYS 150 1HE LYS 150 26.372 -2.631 4.217 1190 2HE LYS 150 2HE LYS 150 26.788 -2.564 5.929 1191 1HZ LYS 150 1HZ LYS 150 24.751 -0.867 4.590 1192 2HZ LYS 150 2HZ LYS 150 25.132 -0.846 6.238 1193 3HZ LYS 150 3HZ LYS 150 24.420 -2.219 5.553 1194 H ASP 151 H ASP 151 29.575 1.892 0.347 1195 HA ASP 151 HA ASP 151 28.299 -0.181 -1.314 1196 1HB ASP 151 1HB ASP 151 29.913 2.213 -2.212 1197 2HB ASP 151 2HB ASP 151 29.379 0.914 -3.274 1198 H LYS 152 H LYS 152 30.247 -0.761 -3.064 1199 HA LYS 152 HA LYS 152 32.048 -2.322 -1.496 1200 1HB LYS 152 1HB LYS 152 32.134 -1.829 -4.476 1201 2HB LYS 152 2HB LYS 152 32.872 -3.166 -3.607 1202 1HG LYS 152 1HG LYS 152 29.907 -2.662 -3.775 1203 2HG LYS 152 2HG LYS 152 30.801 -3.788 -4.798 1204 1HD LYS 152 1HD LYS 152 31.439 -5.095 -2.864 1205 2HD LYS 152 2HD LYS 152 30.672 -3.926 -1.787 1206 1HE LYS 152 1HE LYS 152 29.280 -5.923 -2.148 1207 2HE LYS 152 2HE LYS 152 28.498 -4.447 -2.714 1208 1HZ LYS 152 1HZ LYS 152 29.905 -6.431 -4.420 1209 2HZ LYS 152 2HZ LYS 152 29.177 -5.007 -4.970 1210 3HZ LYS 152 3HZ LYS 152 28.229 -6.238 -4.302 Start of MODEL 6 1 1H MET 1 1H MET 1 1.432 42.440 25.594 2 2H MET 1 2H MET 1 2.065 41.510 26.856 3 3H MET 1 3H MET 1 2.295 43.185 26.844 4 HA MET 1 HA MET 1 0.609 42.608 28.432 5 1HB MET 1 1HB MET 1 -0.529 43.924 25.955 6 2HB MET 1 2HB MET 1 -1.217 44.028 27.570 7 1HG MET 1 1HG MET 1 -0.058 46.028 27.275 8 2HG MET 1 2HG MET 1 0.996 45.041 28.284 9 1HE MET 1 1HE MET 1 2.038 47.621 26.823 10 2HE MET 1 2HE MET 1 3.564 47.059 26.141 11 3HE MET 1 3HE MET 1 3.093 46.571 27.768 12 H HIS 2 H HIS 2 -1.998 42.322 28.238 13 HA HIS 2 HA HIS 2 -3.679 40.803 28.085 14 1HB HIS 2 1HB HIS 2 -3.563 41.357 25.688 15 2HB HIS 2 2HB HIS 2 -2.354 40.100 25.456 16 HD1 HIS 2 HD1 HIS 2 -6.005 40.643 25.822 17 HD2 HIS 2 HD2 HIS 2 -3.360 37.448 25.563 18 HE1 HIS 2 HE1 HIS 2 -7.433 38.621 25.376 19 HE2 HIS 2 HE2 HIS 2 -5.821 36.686 25.336 20 H HIS 3 H HIS 3 -3.265 39.444 29.761 21 HA HIS 3 HA HIS 3 -1.957 36.911 29.075 22 1HB HIS 3 1HB HIS 3 -0.894 36.881 31.336 23 2HB HIS 3 2HB HIS 3 -0.262 38.133 30.272 24 HD1 HIS 3 HD1 HIS 3 -0.750 40.587 30.905 25 HD2 HIS 3 HD2 HIS 3 -2.296 37.809 33.581 26 HE1 HIS 3 HE1 HIS 3 -1.415 41.910 32.936 27 HE2 HIS 3 HE2 HIS 3 -2.439 40.220 34.502 28 H HIS 4 H HIS 4 -4.751 38.135 29.686 29 HA HIS 4 HA HIS 4 -6.706 37.451 30.625 30 1HB HIS 4 1HB HIS 4 -5.271 34.802 30.894 31 2HB HIS 4 2HB HIS 4 -7.015 35.048 30.950 32 HD1 HIS 4 HD1 HIS 4 -8.224 35.470 28.706 33 HD2 HIS 4 HD2 HIS 4 -4.131 34.853 28.338 34 HE1 HIS 4 HE1 HIS 4 -7.818 35.098 26.252 35 HE2 HIS 4 HE2 HIS 4 -5.350 34.629 26.067 36 H HIS 5 H HIS 5 -7.408 35.807 32.679 37 HA HIS 5 HA HIS 5 -5.714 36.156 34.965 38 1HB HIS 5 1HB HIS 5 -6.615 38.438 34.753 39 2HB HIS 5 2HB HIS 5 -8.254 37.795 34.806 40 HD1 HIS 5 HD1 HIS 5 -9.174 37.085 37.097 41 HD2 HIS 5 HD2 HIS 5 -5.268 38.493 37.224 42 HE1 HIS 5 HE1 HIS 5 -8.665 37.433 39.535 43 HE2 HIS 5 HE2 HIS 5 -6.263 38.196 39.592 44 H HIS 6 H HIS 6 -5.968 34.143 35.703 45 HA HIS 6 HA HIS 6 -8.674 33.298 36.451 46 1HB HIS 6 1HB HIS 6 -6.669 31.599 34.951 47 2HB HIS 6 2HB HIS 6 -8.131 30.972 35.707 48 HD1 HIS 6 HD1 HIS 6 -10.398 31.576 34.583 49 HD2 HIS 6 HD2 HIS 6 -7.047 32.934 32.535 50 HE1 HIS 6 HE1 HIS 6 -11.230 32.258 32.309 51 HE2 HIS 6 HE2 HIS 6 -9.190 33.107 31.098 52 H HIS 7 H HIS 7 -5.430 31.818 36.556 53 HA HIS 7 HA HIS 7 -5.039 32.270 39.322 54 1HB HIS 7 1HB HIS 7 -6.848 30.625 39.542 55 2HB HIS 7 2HB HIS 7 -5.939 29.483 38.558 56 HD1 HIS 7 HD1 HIS 7 -4.878 27.752 39.950 57 HD2 HIS 7 HD2 HIS 7 -5.050 31.407 41.919 58 HE1 HIS 7 HE1 HIS 7 -3.831 27.351 42.201 59 HE2 HIS 7 HE2 HIS 7 -3.855 29.601 43.336 60 H LYS 8 H LYS 8 -4.417 29.699 36.925 61 HA LYS 8 HA LYS 8 -1.538 30.201 37.268 62 1HB LYS 8 1HB LYS 8 -2.904 27.512 37.072 63 2HB LYS 8 2HB LYS 8 -1.165 27.750 36.998 64 1HG LYS 8 1HG LYS 8 -2.893 28.520 39.339 65 2HG LYS 8 2HG LYS 8 -1.973 27.019 39.216 66 1HD LYS 8 1HD LYS 8 -0.762 29.780 39.077 67 2HD LYS 8 2HD LYS 8 -0.839 28.799 40.542 68 1HE LYS 8 1HE LYS 8 0.480 27.055 39.435 69 2HE LYS 8 2HE LYS 8 0.559 28.042 37.976 70 1HZ LYS 8 1HZ LYS 8 1.760 29.725 39.216 71 2HZ LYS 8 2HZ LYS 8 2.569 28.242 39.306 72 3HZ LYS 8 3HZ LYS 8 1.667 28.795 40.627 73 H LEU 9 H LEU 9 -0.641 28.326 35.409 74 HA LEU 9 HA LEU 9 -1.364 29.684 32.954 75 1HB LEU 9 1HB LEU 9 0.483 28.008 32.070 76 2HB LEU 9 2HB LEU 9 0.892 29.504 32.881 77 HG LEU 9 HG LEU 9 2.217 27.462 33.549 78 1HD1 LEU 9 1HD1 LEU 9 1.947 28.022 36.042 79 2HD1 LEU 9 2HD1 LEU 9 0.775 29.221 35.486 80 3HD1 LEU 9 3HD1 LEU 9 2.446 29.300 34.933 81 1HD2 LEU 9 1HD2 LEU 9 0.345 25.870 33.628 82 2HD2 LEU 9 2HD2 LEU 9 -0.327 26.744 35.005 83 3HD2 LEU 9 3HD2 LEU 9 1.230 25.931 35.152 84 H LYS 10 H LYS 10 -1.199 28.049 30.940 85 HA LYS 10 HA LYS 10 -2.696 25.609 31.437 86 1HB LYS 10 1HB LYS 10 -4.375 27.469 31.199 87 2HB LYS 10 2HB LYS 10 -3.789 27.710 29.561 88 1HG LYS 10 1HG LYS 10 -5.823 26.395 29.566 89 2HG LYS 10 2HG LYS 10 -4.464 25.433 28.982 90 1HD LYS 10 1HD LYS 10 -4.250 24.418 31.215 91 2HD LYS 10 2HD LYS 10 -5.643 25.355 31.760 92 1HE LYS 10 1HE LYS 10 -7.054 24.239 30.124 93 2HE LYS 10 2HE LYS 10 -5.666 23.339 29.517 94 1HZ LYS 10 1HZ LYS 10 -6.783 23.144 32.263 95 2HZ LYS 10 2HZ LYS 10 -5.454 22.278 31.678 96 3HZ LYS 10 3HZ LYS 10 -6.992 22.004 31.030 97 H THR 11 H THR 11 -0.275 27.169 29.926 98 HA THR 11 HA THR 11 -0.402 26.131 27.284 99 HB THR 11 HB THR 11 2.038 27.002 28.844 100 HG1 THR 11 HG1 THR 11 1.626 28.964 27.508 101 1HG2 THR 11 1HG2 THR 11 2.603 25.681 26.865 102 2HG2 THR 11 2HG2 THR 11 3.036 27.375 26.633 103 3HG2 THR 11 3HG2 THR 11 1.586 26.724 25.869 104 H GLU 12 H GLU 12 -0.252 24.072 26.717 105 HA GLU 12 HA GLU 12 1.849 22.387 27.691 106 1HB GLU 12 1HB GLU 12 0.238 22.156 29.536 107 2HB GLU 12 2HB GLU 12 -1.001 21.659 28.393 108 1HG GLU 12 1HG GLU 12 -0.090 19.741 29.536 109 2HG GLU 12 2HG GLU 12 0.323 19.681 27.823 110 H GLN 13 H GLN 13 -1.404 22.144 26.242 111 HA GLN 13 HA GLN 13 -0.221 21.124 23.788 112 1HB GLN 13 1HB GLN 13 -1.804 19.196 23.738 113 2HB GLN 13 2HB GLN 13 -0.573 19.075 24.988 114 1HG GLN 13 1HG GLN 13 -2.228 19.911 26.627 115 2HG GLN 13 2HG GLN 13 -3.449 19.873 25.358 116 1HE2 GLN 13 1HE2 GLN 13 -1.416 17.977 27.444 117 2HE2 GLN 13 2HE2 GLN 13 -2.224 16.470 27.200 118 H GLY 14 H GLY 14 -1.410 21.571 21.977 119 1HA GLY 14 1HA GLY 14 -3.890 21.905 21.302 120 2HA GLY 14 2HA GLY 14 -3.776 23.260 22.416 121 H GLY 15 H GLY 15 -3.444 25.147 21.468 122 1HA GLY 15 1HA GLY 15 -2.419 26.728 20.114 123 2HA GLY 15 2HA GLY 15 -1.451 25.447 19.402 124 H ALA 16 H ALA 16 -4.875 26.436 19.531 125 HA ALA 16 HA ALA 16 -5.180 25.562 16.754 126 1HB ALA 16 1HB ALA 16 -6.823 24.733 18.353 127 2HB ALA 16 2HB ALA 16 -7.586 25.772 17.148 128 3HB ALA 16 3HB ALA 16 -7.266 26.388 18.769 129 H HIS 17 H HIS 17 -4.946 27.004 15.192 130 HA HIS 17 HA HIS 17 -5.391 29.845 15.789 131 1HB HIS 17 1HB HIS 17 -3.940 28.571 13.459 132 2HB HIS 17 2HB HIS 17 -4.062 30.297 13.774 133 HD1 HIS 17 HD1 HIS 17 -2.417 31.300 15.413 134 HD2 HIS 17 HD2 HIS 17 -2.268 27.150 15.300 135 HE1 HIS 17 HE1 HIS 17 -0.386 30.665 16.752 136 HE2 HIS 17 HE2 HIS 17 -0.295 28.148 16.641 137 H PHE 18 H PHE 18 -6.089 27.378 13.331 138 HA PHE 18 HA PHE 18 -7.992 29.084 11.988 139 1HB PHE 18 1HB PHE 18 -7.163 26.211 11.586 140 2HB PHE 18 2HB PHE 18 -8.422 26.983 10.628 141 HD1 PHE 18 HD1 PHE 18 -7.878 28.671 8.986 142 HD2 PHE 18 HD2 PHE 18 -4.842 26.829 11.332 143 HE1 PHE 18 HE1 PHE 18 -6.165 29.553 7.455 144 HE2 PHE 18 HE2 PHE 18 -3.124 27.708 9.805 145 HZ PHE 18 HZ PHE 18 -3.795 29.077 7.855 146 H SER 19 H SER 19 -10.021 27.332 11.322 147 HA SER 19 HA SER 19 -11.633 27.457 13.689 148 1HB SER 19 1HB SER 19 -12.699 27.994 11.631 149 2HB SER 19 2HB SER 19 -12.188 26.476 10.894 150 HG SER 19 HG SER 19 -13.606 26.091 13.183 151 H VAL 20 H VAL 20 -11.473 25.979 15.236 152 HA VAL 20 HA VAL 20 -10.979 23.180 14.473 153 HB VAL 20 HB VAL 20 -9.258 24.118 15.933 154 1HG1 VAL 20 1HG1 VAL 20 -10.551 25.819 17.067 155 2HG1 VAL 20 2HG1 VAL 20 -9.805 24.748 18.252 156 3HG1 VAL 20 3HG1 VAL 20 -11.519 24.584 17.873 157 1HG2 VAL 20 1HG2 VAL 20 -9.297 22.408 17.677 158 2HG2 VAL 20 2HG2 VAL 20 -9.801 21.744 16.122 159 3HG2 VAL 20 3HG2 VAL 20 -11.006 22.113 17.355 160 H SER 21 H SER 21 -12.243 21.538 15.313 161 HA SER 21 HA SER 21 -14.756 22.406 16.586 162 1HB SER 21 1HB SER 21 -15.104 21.535 14.320 163 2HB SER 21 2HB SER 21 -14.275 20.040 14.757 164 HG SER 21 HG SER 21 -16.512 20.920 16.223 165 H SER 22 H SER 22 -15.345 21.495 18.470 166 HA SER 22 HA SER 22 -13.449 19.821 19.834 167 1HB SER 22 1HB SER 22 -16.178 20.820 20.686 168 2HB SER 22 2HB SER 22 -15.027 19.994 21.737 169 HG SER 22 HG SER 22 -14.497 22.031 22.100 170 H LEU 23 H LEU 23 -16.518 19.393 18.224 171 HA LEU 23 HA LEU 23 -17.196 16.870 19.281 172 1HB LEU 23 1HB LEU 23 -18.768 18.314 18.054 173 2HB LEU 23 2HB LEU 23 -17.861 18.041 16.578 174 HG LEU 23 HG LEU 23 -18.404 15.589 16.816 175 1HD1 LEU 23 1HD1 LEU 23 -18.928 15.518 19.164 176 2HD1 LEU 23 2HD1 LEU 23 -20.352 15.046 18.237 177 3HD1 LEU 23 3HD1 LEU 23 -20.250 16.662 18.939 178 1HD2 LEU 23 1HD2 LEU 23 -19.589 17.006 15.242 179 2HD2 LEU 23 2HD2 LEU 23 -20.690 17.534 16.516 180 3HD2 LEU 23 3HD2 LEU 23 -20.702 15.853 15.981 181 H ALA 24 H ALA 24 -15.090 17.862 16.665 182 HA ALA 24 HA ALA 24 -14.607 15.083 15.893 183 1HB ALA 24 1HB ALA 24 -14.977 16.732 14.114 184 2HB ALA 24 2HB ALA 24 -13.372 16.008 14.011 185 3HB ALA 24 3HB ALA 24 -13.565 17.636 14.665 186 H GLU 25 H GLU 25 -11.941 15.456 14.980 187 HA GLU 25 HA GLU 25 -9.788 15.228 15.674 188 1HB GLU 25 1HB GLU 25 -10.246 17.628 16.389 189 2HB GLU 25 2HB GLU 25 -10.511 16.999 18.007 190 1HG GLU 25 1HG GLU 25 -8.234 16.134 18.056 191 2HG GLU 25 2HG GLU 25 -7.966 16.740 16.422 192 H GLY 26 H GLY 26 -11.778 13.340 16.551 193 1HA GLY 26 1HA GLY 26 -10.224 11.982 18.538 194 2HA GLY 26 2HA GLY 26 -11.743 12.583 19.186 195 H SER 27 H SER 27 -13.572 12.143 17.318 196 HA SER 27 HA SER 27 -13.468 9.226 16.931 197 1HB SER 27 1HB SER 27 -15.232 9.965 18.467 198 2HB SER 27 2HB SER 27 -15.876 11.040 17.225 199 HG SER 27 HG SER 27 -16.326 8.414 17.594 200 H VAL 28 H VAL 28 -13.891 12.284 15.360 201 HA VAL 28 HA VAL 28 -14.934 11.143 12.914 202 HB VAL 28 HB VAL 28 -13.907 13.942 13.408 203 1HG1 VAL 28 1HG1 VAL 28 -15.648 12.813 11.219 204 2HG1 VAL 28 2HG1 VAL 28 -13.981 13.366 11.051 205 3HG1 VAL 28 3HG1 VAL 28 -15.260 14.519 11.440 206 1HG2 VAL 28 1HG2 VAL 28 -16.265 14.560 13.684 207 2HG2 VAL 28 2HG2 VAL 28 -15.739 13.419 14.921 208 3HG2 VAL 28 3HG2 VAL 28 -16.719 12.859 13.567 209 H THR 29 H THR 29 -13.701 10.179 11.451 210 HA THR 29 HA THR 29 -10.981 11.182 10.989 211 HB THR 29 HB THR 29 -10.166 8.848 10.717 212 HG1 THR 29 HG1 THR 29 -11.981 7.636 10.441 213 1HG2 THR 29 1HG2 THR 29 -9.977 8.356 13.101 214 2HG2 THR 29 2HG2 THR 29 -11.300 9.470 13.447 215 3HG2 THR 29 3HG2 THR 29 -9.776 10.082 12.802 216 H SER 30 H SER 30 -10.048 10.197 8.935 217 HA SER 30 HA SER 30 -12.171 9.962 6.905 218 1HB SER 30 1HB SER 30 -9.424 11.139 6.479 219 2HB SER 30 2HB SER 30 -10.777 11.135 5.349 220 HG SER 30 HG SER 30 -10.878 12.386 7.887 221 H VAL 31 H VAL 31 -11.416 8.850 4.872 222 HA VAL 31 HA VAL 31 -10.587 6.245 5.426 223 HB VAL 31 HB VAL 31 -10.288 7.588 2.743 224 1HG1 VAL 31 1HG1 VAL 31 -10.853 5.276 1.949 225 2HG1 VAL 31 2HG1 VAL 31 -10.688 4.737 3.622 226 3HG1 VAL 31 3HG1 VAL 31 -9.301 5.421 2.775 227 1HG2 VAL 31 1HG2 VAL 31 -12.512 8.068 3.604 228 2HG2 VAL 31 2HG2 VAL 31 -12.758 6.359 3.967 229 3HG2 VAL 31 3HG2 VAL 31 -12.601 6.892 2.294 230 H GLY 32 H GLY 32 -8.664 5.434 5.909 231 1HA GLY 32 1HA GLY 32 -6.328 5.377 4.750 232 2HA GLY 32 2HA GLY 32 -6.270 7.032 5.339 233 H SER 33 H SER 33 -8.041 5.539 7.589 234 HA SER 33 HA SER 33 -5.781 5.288 9.385 235 1HB SER 33 1HB SER 33 -7.502 5.021 11.141 236 2HB SER 33 2HB SER 33 -7.785 6.460 10.162 237 HG SER 33 HG SER 33 -9.076 4.528 8.967 238 H VAL 34 H VAL 34 -8.241 3.228 7.925 239 HA VAL 34 HA VAL 34 -7.346 0.881 9.355 240 HB VAL 34 HB VAL 34 -9.240 1.016 7.008 241 1HG1 VAL 34 1HG1 VAL 34 -8.802 -1.091 9.121 242 2HG1 VAL 34 2HG1 VAL 34 -8.358 -1.208 7.419 243 3HG1 VAL 34 3HG1 VAL 34 -10.058 -1.130 7.884 244 1HG2 VAL 34 1HG2 VAL 34 -9.819 1.155 9.966 245 2HG2 VAL 34 2HG2 VAL 34 -11.036 0.945 8.707 246 3HG2 VAL 34 3HG2 VAL 34 -10.086 2.430 8.775 247 H ASN 35 H ASN 35 -7.865 1.152 5.852 248 HA ASN 35 HA ASN 35 -5.157 0.804 5.115 249 1HB ASN 35 1HB ASN 35 -5.732 -1.460 6.128 250 2HB ASN 35 2HB ASN 35 -6.811 -1.695 4.756 251 1HD2 ASN 35 1HD2 ASN 35 -3.783 0.032 4.542 252 2HD2 ASN 35 2HD2 ASN 35 -2.963 -1.141 3.576 253 HA PRO 36 HA PRO 36 -7.570 2.043 1.527 254 1HB PRO 36 1HB PRO 36 -5.604 3.314 0.207 255 2HB PRO 36 2HB PRO 36 -6.409 4.042 1.604 256 1HG PRO 36 1HG PRO 36 -3.759 2.682 1.434 257 2HG PRO 36 2HG PRO 36 -4.227 4.122 2.353 258 1HD PRO 36 1HD PRO 36 -3.997 1.589 3.422 259 2HD PRO 36 2HD PRO 36 -4.983 2.890 4.116 260 H ALA 37 H ALA 37 -4.889 0.010 1.858 261 HA ALA 37 HA ALA 37 -4.673 -0.733 -0.927 262 1HB ALA 37 1HB ALA 37 -3.408 -1.943 1.530 263 2HB ALA 37 2HB ALA 37 -2.688 -0.715 0.489 264 3HB ALA 37 3HB ALA 37 -3.000 -2.334 -0.141 265 H GLU 38 H GLU 38 -6.392 -1.769 1.902 266 HA GLU 38 HA GLU 38 -6.862 -4.443 1.376 267 1HB GLU 38 1HB GLU 38 -8.712 -4.313 2.831 268 2HB GLU 38 2HB GLU 38 -7.593 -3.086 3.404 269 1HG GLU 38 1HG GLU 38 -8.904 -1.372 2.218 270 2HG GLU 38 2HG GLU 38 -10.050 -2.618 1.731 271 H ASN 39 H ASN 39 -8.243 -1.613 -0.150 272 HA ASN 39 HA ASN 39 -10.411 -2.846 -1.452 273 1HB ASN 39 1HB ASN 39 -10.067 -0.380 -1.345 274 2HB ASN 39 2HB ASN 39 -8.712 -0.544 -2.457 275 1HD2 ASN 39 1HD2 ASN 39 -9.679 0.761 -3.996 276 2HD2 ASN 39 2HD2 ASN 39 -11.022 0.231 -4.945 277 H PHE 40 H PHE 40 -7.125 -2.136 -2.632 278 HA PHE 40 HA PHE 40 -7.265 -3.461 -5.059 279 1HB PHE 40 1HB PHE 40 -5.153 -2.689 -5.123 280 2HB PHE 40 2HB PHE 40 -5.200 -2.365 -3.395 281 HD1 PHE 40 HD1 PHE 40 -4.340 -4.882 -5.947 282 HD2 PHE 40 HD2 PHE 40 -4.072 -3.763 -1.854 283 HE1 PHE 40 HE1 PHE 40 -2.642 -6.620 -5.587 284 HE2 PHE 40 HE2 PHE 40 -2.375 -5.500 -1.487 285 HZ PHE 40 HZ PHE 40 -1.753 -7.013 -3.330 286 H ARG 41 H ARG 41 -6.536 -4.668 -1.830 287 HA ARG 41 HA ARG 41 -5.940 -7.316 -2.489 288 1HB ARG 41 1HB ARG 41 -7.078 -6.055 -0.013 289 2HB ARG 41 2HB ARG 41 -6.771 -7.785 -0.124 290 1HG ARG 41 1HG ARG 41 -4.441 -7.437 -0.380 291 2HG ARG 41 2HG ARG 41 -4.663 -5.701 -0.604 292 1HD ARG 41 1HD ARG 41 -5.230 -5.364 1.635 293 2HD ARG 41 2HD ARG 41 -5.546 -7.085 1.899 294 HE ARG 41 HE ARG 41 -2.828 -6.616 1.193 295 1HH1 ARG 41 1HH1 ARG 41 -5.087 -6.402 3.837 296 2HH1 ARG 41 2HH1 ARG 41 -3.873 -6.583 5.059 297 1HH2 ARG 41 1HH2 ARG 41 -1.223 -6.860 2.795 298 2HH2 ARG 41 2HH2 ARG 41 -1.677 -6.843 4.467 299 H VAL 42 H VAL 42 -8.977 -5.653 -1.936 300 HA VAL 42 HA VAL 42 -10.657 -7.893 -1.879 301 HB VAL 42 HB VAL 42 -11.125 -5.010 -2.594 302 1HG1 VAL 42 1HG1 VAL 42 -13.154 -7.237 -2.768 303 2HG1 VAL 42 2HG1 VAL 42 -12.594 -6.211 -4.089 304 3HG1 VAL 42 3HG1 VAL 42 -13.543 -5.517 -2.774 305 1HG2 VAL 42 1HG2 VAL 42 -10.884 -5.690 -0.231 306 2HG2 VAL 42 2HG2 VAL 42 -12.268 -6.767 -0.428 307 3HG2 VAL 42 3HG2 VAL 42 -12.476 -5.024 -0.594 308 H LEU 43 H LEU 43 -9.607 -5.834 -4.589 309 HA LEU 43 HA LEU 43 -11.040 -7.258 -6.548 310 1HB LEU 43 1HB LEU 43 -8.512 -5.648 -6.837 311 2HB LEU 43 2HB LEU 43 -9.490 -6.227 -8.176 312 HG LEU 43 HG LEU 43 -11.332 -4.894 -6.646 313 1HD1 LEU 43 1HD1 LEU 43 -9.100 -2.961 -6.751 314 2HD1 LEU 43 2HD1 LEU 43 -9.084 -4.153 -5.451 315 3HD1 LEU 43 3HD1 LEU 43 -10.464 -3.069 -5.636 316 1HD2 LEU 43 1HD2 LEU 43 -9.671 -3.707 -8.863 317 2HD2 LEU 43 2HD2 LEU 43 -11.310 -3.252 -8.399 318 3HD2 LEU 43 3HD2 LEU 43 -11.002 -4.840 -9.107 319 H VAL 44 H VAL 44 -7.681 -7.687 -5.385 320 HA VAL 44 HA VAL 44 -7.066 -9.713 -7.249 321 HB VAL 44 HB VAL 44 -5.166 -10.301 -5.922 322 1HG1 VAL 44 1HG1 VAL 44 -5.358 -7.961 -7.048 323 2HG1 VAL 44 2HG1 VAL 44 -3.984 -8.340 -6.010 324 3HG1 VAL 44 3HG1 VAL 44 -5.323 -7.373 -5.384 325 1HG2 VAL 44 1HG2 VAL 44 -4.786 -9.543 -3.675 326 2HG2 VAL 44 2HG2 VAL 44 -6.317 -10.413 -3.753 327 3HG2 VAL 44 3HG2 VAL 44 -6.308 -8.650 -3.681 328 H LYS 45 H LYS 45 -8.729 -9.734 -4.182 329 HA LYS 45 HA LYS 45 -8.771 -12.649 -4.114 330 1HB LYS 45 1HB LYS 45 -9.605 -12.481 -1.911 331 2HB LYS 45 2HB LYS 45 -8.409 -11.199 -2.049 332 1HG LYS 45 1HG LYS 45 -10.161 -9.560 -2.350 333 2HG LYS 45 2HG LYS 45 -11.387 -10.828 -2.302 334 1HD LYS 45 1HD LYS 45 -11.280 -9.758 -0.145 335 2HD LYS 45 2HD LYS 45 -10.641 -11.398 -0.009 336 1HE LYS 45 1HE LYS 45 -8.365 -10.531 -0.108 337 2HE LYS 45 2HE LYS 45 -8.985 -8.891 -0.288 338 1HZ LYS 45 1HZ LYS 45 -8.310 -9.410 1.997 339 2HZ LYS 45 2HZ LYS 45 -9.472 -10.637 2.065 340 3HZ LYS 45 3HZ LYS 45 -9.954 -9.025 1.895 341 H GLN 46 H GLN 46 -10.595 -10.163 -5.443 342 HA GLN 46 HA GLN 46 -13.007 -11.857 -5.522 343 1HB GLN 46 1HB GLN 46 -12.816 -8.840 -5.777 344 2HB GLN 46 2HB GLN 46 -14.292 -9.778 -5.966 345 1HG GLN 46 1HG GLN 46 -12.644 -9.695 -3.452 346 2HG GLN 46 2HG GLN 46 -14.035 -8.662 -3.760 347 1HE2 GLN 46 1HE2 GLN 46 -15.173 -9.475 -2.021 348 2HE2 GLN 46 2HE2 GLN 46 -15.866 -11.058 -2.021 349 H LYS 47 H LYS 47 -14.389 -11.127 -7.573 350 HA LYS 47 HA LYS 47 -12.774 -11.822 -9.854 351 1HB LYS 47 1HB LYS 47 -14.814 -12.013 -11.055 352 2HB LYS 47 2HB LYS 47 -15.147 -12.619 -9.439 353 1HG LYS 47 1HG LYS 47 -15.730 -9.773 -10.178 354 2HG LYS 47 2HG LYS 47 -16.870 -11.073 -10.538 355 1HD LYS 47 1HD LYS 47 -16.869 -11.682 -8.137 356 2HD LYS 47 2HD LYS 47 -15.810 -10.306 -7.818 357 1HE LYS 47 1HE LYS 47 -18.118 -9.733 -7.323 358 2HE LYS 47 2HE LYS 47 -17.530 -8.792 -8.693 359 1HZ LYS 47 1HZ LYS 47 -19.249 -11.209 -8.844 360 2HZ LYS 47 2HZ LYS 47 -18.650 -10.359 -10.176 361 3HZ LYS 47 3HZ LYS 47 -19.742 -9.614 -9.121 362 H LYS 48 H LYS 48 -13.391 -9.011 -8.293 363 HA LYS 48 HA LYS 48 -14.063 -7.058 -10.066 364 1HB LYS 48 1HB LYS 48 -11.825 -6.759 -8.080 365 2HB LYS 48 2HB LYS 48 -12.944 -5.524 -8.643 366 1HG LYS 48 1HG LYS 48 -14.156 -7.880 -7.351 367 2HG LYS 48 2HG LYS 48 -13.214 -6.811 -6.311 368 1HD LYS 48 1HD LYS 48 -15.273 -5.724 -8.194 369 2HD LYS 48 2HD LYS 48 -15.727 -6.336 -6.599 370 1HE LYS 48 1HE LYS 48 -13.964 -4.810 -5.648 371 2HE LYS 48 2HE LYS 48 -13.844 -4.081 -7.249 372 1HZ LYS 48 1HZ LYS 48 -16.204 -3.521 -7.116 373 2HZ LYS 48 2HZ LYS 48 -15.332 -2.816 -5.849 374 3HZ LYS 48 3HZ LYS 48 -16.287 -4.182 -5.561 375 H ALA 49 H ALA 49 -10.639 -7.321 -9.206 376 HA ALA 49 HA ALA 49 -9.920 -7.158 -12.055 377 1HB ALA 49 1HB ALA 49 -8.381 -5.399 -11.677 378 2HB ALA 49 2HB ALA 49 -8.608 -5.494 -9.929 379 3HB ALA 49 3HB ALA 49 -9.916 -4.906 -10.960 380 H SER 50 H SER 50 -7.600 -7.602 -12.440 381 HA SER 50 HA SER 50 -6.754 -9.917 -10.968 382 1HB SER 50 1HB SER 50 -4.746 -9.765 -12.536 383 2HB SER 50 2HB SER 50 -6.320 -9.962 -13.316 384 HG SER 50 HG SER 50 -5.808 -8.223 -14.364 385 H PHE 51 H PHE 51 -4.346 -10.013 -10.274 386 HA PHE 51 HA PHE 51 -3.979 -8.176 -8.184 387 1HB PHE 51 1HB PHE 51 -2.972 -10.576 -8.604 388 2HB PHE 51 2HB PHE 51 -1.640 -9.657 -9.299 389 HD1 PHE 51 HD1 PHE 51 -2.966 -11.023 -6.350 390 HD2 PHE 51 HD2 PHE 51 -0.709 -7.736 -7.798 391 HE1 PHE 51 HE1 PHE 51 -2.061 -10.670 -4.095 392 HE2 PHE 51 HE2 PHE 51 0.209 -7.373 -5.544 393 HZ PHE 51 HZ PHE 51 -0.458 -8.856 -3.689 394 H GLU 52 H GLU 52 -3.367 -7.862 -11.497 395 HA GLU 52 HA GLU 52 -1.234 -5.941 -11.157 396 1HB GLU 52 1HB GLU 52 -0.917 -6.046 -13.444 397 2HB GLU 52 2HB GLU 52 -1.593 -7.632 -13.115 398 1HG GLU 52 1HG GLU 52 -3.796 -6.824 -13.829 399 2HG GLU 52 2HG GLU 52 -3.081 -5.260 -14.209 400 H GLU 53 H GLU 53 -4.584 -5.815 -12.413 401 HA GLU 53 HA GLU 53 -4.606 -2.980 -12.633 402 1HB GLU 53 1HB GLU 53 -6.211 -4.200 -13.911 403 2HB GLU 53 2HB GLU 53 -6.806 -5.045 -12.492 404 1HG GLU 53 1HG GLU 53 -7.875 -3.112 -11.669 405 2HG GLU 53 2HG GLU 53 -7.047 -2.074 -12.829 406 H ALA 54 H ALA 54 -5.525 -5.270 -10.150 407 HA ALA 54 HA ALA 54 -6.743 -3.471 -8.373 408 1HB ALA 54 1HB ALA 54 -5.257 -6.026 -7.767 409 2HB ALA 54 2HB ALA 54 -6.964 -5.900 -8.196 410 3HB ALA 54 3HB ALA 54 -6.380 -5.198 -6.686 411 H SER 55 H SER 55 -3.397 -4.781 -8.427 412 HA SER 55 HA SER 55 -2.460 -3.180 -6.315 413 1HB SER 55 1HB SER 55 -0.983 -4.330 -8.700 414 2HB SER 55 2HB SER 55 -0.188 -3.541 -7.337 415 HG SER 55 HG SER 55 -0.968 -5.152 -5.989 416 H ASN 56 H ASN 56 -2.602 -2.714 -9.791 417 HA ASN 56 HA ASN 56 -1.293 -0.342 -10.117 418 1HB ASN 56 1HB ASN 56 -3.587 -1.657 -11.497 419 2HB ASN 56 2HB ASN 56 -3.321 0.048 -11.855 420 1HD2 ASN 56 1HD2 ASN 56 -2.990 -2.468 -13.436 421 2HD2 ASN 56 2HD2 ASN 56 -1.382 -2.384 -14.062 422 H GLN 57 H GLN 57 -4.755 -0.699 -9.296 423 HA GLN 57 HA GLN 57 -5.174 2.073 -8.984 424 1HB GLN 57 1HB GLN 57 -6.667 -0.368 -8.101 425 2HB GLN 57 2HB GLN 57 -7.151 1.217 -7.509 426 1HG GLN 57 1HG GLN 57 -7.309 1.965 -9.887 427 2HG GLN 57 2HG GLN 57 -7.048 0.286 -10.364 428 1HE2 GLN 57 1HE2 GLN 57 -9.243 2.544 -8.903 429 2HE2 GLN 57 2HE2 GLN 57 -10.640 1.527 -8.942 430 H LEU 58 H LEU 58 -3.924 -0.401 -6.864 431 HA LEU 58 HA LEU 58 -4.163 1.059 -4.445 432 1HB LEU 58 1HB LEU 58 -3.528 -1.468 -4.917 433 2HB LEU 58 2HB LEU 58 -1.894 -0.845 -4.901 434 HG LEU 58 HG LEU 58 -3.776 -1.287 -2.653 435 1HD1 LEU 58 1HD1 LEU 58 -1.784 -2.666 -3.064 436 2HD1 LEU 58 2HD1 LEU 58 -1.736 -1.856 -1.498 437 3HD1 LEU 58 3HD1 LEU 58 -0.769 -1.240 -2.835 438 1HD2 LEU 58 1HD2 LEU 58 -2.660 0.401 -1.244 439 2HD2 LEU 58 2HD2 LEU 58 -3.628 1.127 -2.526 440 3HD2 LEU 58 3HD2 LEU 58 -1.873 1.055 -2.681 441 H ILE 59 H ILE 59 -1.266 0.568 -6.555 442 HA ILE 59 HA ILE 59 0.284 2.451 -5.091 443 HB ILE 59 HB ILE 59 0.784 1.931 -8.012 444 1HG1 ILE 59 1HG1 ILE 59 2.270 0.024 -6.617 445 2HG1 ILE 59 2HG1 ILE 59 0.656 -0.080 -5.916 446 1HG2 ILE 59 1HG2 ILE 59 2.174 3.544 -6.897 447 2HG2 ILE 59 2HG2 ILE 59 3.117 2.108 -7.299 448 3HG2 ILE 59 3HG2 ILE 59 2.575 2.373 -5.640 449 1HD1 ILE 59 1HD1 ILE 59 0.783 -1.619 -7.713 450 2HD1 ILE 59 2HD1 ILE 59 1.418 -0.383 -8.797 451 3HD1 ILE 59 3HD1 ILE 59 -0.242 -0.281 -8.226 452 H ASN 60 H ASN 60 -1.925 2.641 -7.802 453 HA ASN 60 HA ASN 60 -1.333 5.202 -8.759 454 1HB ASN 60 1HB ASN 60 -3.729 3.433 -8.838 455 2HB ASN 60 2HB ASN 60 -3.917 5.115 -9.315 456 1HD2 ASN 60 1HD2 ASN 60 -4.143 2.672 -10.891 457 2HD2 ASN 60 2HD2 ASN 60 -3.007 2.830 -12.183 458 H HIS 61 H HIS 61 -3.646 4.114 -6.302 459 HA HIS 61 HA HIS 61 -4.591 6.675 -5.600 460 1HB HIS 61 1HB HIS 61 -5.981 5.273 -4.513 461 2HB HIS 61 2HB HIS 61 -4.831 3.947 -4.664 462 HD1 HIS 61 HD1 HIS 61 -2.895 3.967 -2.766 463 HD2 HIS 61 HD2 HIS 61 -6.363 6.098 -1.969 464 HE1 HIS 61 HE1 HIS 61 -2.925 4.284 -0.290 465 HE2 HIS 61 HE2 HIS 61 -5.088 5.480 0.196 466 H ILE 62 H ILE 62 -1.887 4.706 -4.635 467 HA ILE 62 HA ILE 62 -0.904 6.354 -2.557 468 HB ILE 62 HB ILE 62 0.490 4.353 -4.332 469 1HG1 ILE 62 1HG1 ILE 62 -1.351 3.563 -2.812 470 2HG1 ILE 62 2HG1 ILE 62 0.214 2.820 -2.531 471 1HG2 ILE 62 1HG2 ILE 62 2.276 4.357 -2.626 472 2HG2 ILE 62 2HG2 ILE 62 1.502 5.745 -1.862 473 3HG2 ILE 62 3HG2 ILE 62 2.145 5.883 -3.499 474 1HD1 ILE 62 1HD1 ILE 62 -1.005 3.396 -0.464 475 2HD1 ILE 62 2HD1 ILE 62 -0.905 5.098 -0.920 476 3HD1 ILE 62 3HD1 ILE 62 0.568 4.187 -0.590 477 H GLU 63 H GLU 63 -0.750 6.473 -6.016 478 HA GLU 63 HA GLU 63 1.479 8.267 -6.173 479 1HB GLU 63 1HB GLU 63 -0.622 7.384 -8.145 480 2HB GLU 63 2HB GLU 63 0.527 8.655 -8.539 481 1HG GLU 63 1HG GLU 63 2.376 7.147 -8.237 482 2HG GLU 63 2HG GLU 63 1.291 5.874 -7.680 483 H GLN 64 H GLN 64 -2.044 8.544 -6.168 484 HA GLN 64 HA GLN 64 -2.254 11.300 -6.578 485 1HB GLN 64 1HB GLN 64 -3.964 9.483 -4.856 486 2HB GLN 64 2HB GLN 64 -4.399 11.127 -5.305 487 1HG GLN 64 1HG GLN 64 -4.378 10.471 -7.670 488 2HG GLN 64 2HG GLN 64 -3.990 8.819 -7.192 489 1HE2 GLN 64 1HE2 GLN 64 -6.295 9.881 -8.646 490 2HE2 GLN 64 2HE2 GLN 64 -7.688 9.398 -7.746 491 H PHE 65 H PHE 65 -1.909 9.400 -3.596 492 HA PHE 65 HA PHE 65 -1.697 11.591 -1.841 493 1HB PHE 65 1HB PHE 65 -1.723 9.846 -0.414 494 2HB PHE 65 2HB PHE 65 -1.262 8.723 -1.692 495 HD1 PHE 65 HD1 PHE 65 0.678 7.548 -1.379 496 HD2 PHE 65 HD2 PHE 65 0.299 11.425 0.333 497 HE1 PHE 65 HE1 PHE 65 2.869 7.283 -0.294 498 HE2 PHE 65 HE2 PHE 65 2.483 11.164 1.414 499 HZ PHE 65 HZ PHE 65 3.883 9.174 0.867 500 H LEU 66 H LEU 66 0.847 9.639 -3.431 501 HA LEU 66 HA LEU 66 3.018 11.111 -2.519 502 1HB LEU 66 1HB LEU 66 2.595 9.385 -4.933 503 2HB LEU 66 2HB LEU 66 4.101 10.283 -4.744 504 HG LEU 66 HG LEU 66 3.007 8.224 -2.816 505 1HD1 LEU 66 1HD1 LEU 66 4.807 6.817 -3.540 506 2HD1 LEU 66 2HD1 LEU 66 5.428 8.085 -4.600 507 3HD1 LEU 66 3HD1 LEU 66 3.877 7.320 -4.952 508 1HD2 LEU 66 1HD2 LEU 66 4.270 10.029 -1.685 509 2HD2 LEU 66 2HD2 LEU 66 5.644 9.692 -2.740 510 3HD2 LEU 66 3HD2 LEU 66 5.088 8.467 -1.598 511 H ASP 67 H ASP 67 0.581 11.964 -4.725 512 HA ASP 67 HA ASP 67 2.104 14.024 -6.040 513 1HB ASP 67 1HB ASP 67 0.137 12.946 -7.135 514 2HB ASP 67 2HB ASP 67 -0.901 13.668 -5.911 515 H THR 68 H THR 68 -0.207 13.716 -3.381 516 HA THR 68 HA THR 68 -0.344 16.475 -2.738 517 HB THR 68 HB THR 68 -1.870 14.550 -1.860 518 HG1 THR 68 HG1 THR 68 -2.003 15.890 0.229 519 1HG2 THR 68 1HG2 THR 68 -0.680 13.060 -0.623 520 2HG2 THR 68 2HG2 THR 68 -1.067 14.202 0.662 521 3HG2 THR 68 3HG2 THR 68 0.509 14.258 -0.120 522 H ASN 69 H ASN 69 0.333 16.957 -0.232 523 HA ASN 69 HA ASN 69 3.240 16.467 -0.145 524 1HB ASN 69 1HB ASN 69 1.591 18.844 0.722 525 2HB ASN 69 2HB ASN 69 3.285 18.640 1.179 526 1HD2 ASN 69 1HD2 ASN 69 1.984 20.704 -0.434 527 2HD2 ASN 69 2HD2 ASN 69 2.794 20.697 -1.960 528 H GLU 70 H GLU 70 0.508 15.448 1.243 529 HA GLU 70 HA GLU 70 1.188 15.645 4.034 530 1HB GLU 70 1HB GLU 70 -0.811 13.708 2.909 531 2HB GLU 70 2HB GLU 70 -0.847 14.568 4.443 532 1HG GLU 70 1HG GLU 70 -1.062 16.022 1.834 533 2HG GLU 70 2HG GLU 70 -2.471 15.294 2.599 534 H THR 71 H THR 71 2.106 14.079 5.339 535 HA THR 71 HA THR 71 3.265 11.807 3.905 536 HB THR 71 HB THR 71 4.765 11.538 5.871 537 HG1 THR 71 HG1 THR 71 4.000 12.644 7.551 538 1HG2 THR 71 1HG2 THR 71 4.843 14.173 4.395 539 2HG2 THR 71 2HG2 THR 71 5.516 12.636 3.846 540 3HG2 THR 71 3HG2 THR 71 6.201 13.447 5.255 541 HA PRO 72 HA PRO 72 0.703 10.130 7.935 542 1HB PRO 72 1HB PRO 72 -1.617 10.746 6.135 543 2HB PRO 72 2HB PRO 72 -1.601 10.556 7.885 544 1HG PRO 72 1HG PRO 72 -1.675 12.970 6.773 545 2HG PRO 72 2HG PRO 72 -0.704 12.672 8.228 546 1HD PRO 72 1HD PRO 72 0.166 13.138 5.441 547 2HD PRO 72 2HD PRO 72 1.040 13.422 6.959 548 H TYR 73 H TYR 73 0.225 10.360 4.533 549 HA TYR 73 HA TYR 73 -0.477 7.593 4.177 550 1HB TYR 73 1HB TYR 73 -0.136 9.814 2.161 551 2HB TYR 73 2HB TYR 73 -0.920 8.256 1.885 552 HD1 TYR 73 HD1 TYR 73 -2.640 7.861 4.134 553 HD2 TYR 73 HD2 TYR 73 -1.711 11.499 2.134 554 HE1 TYR 73 HE1 TYR 73 -4.786 8.808 4.871 555 HE2 TYR 73 HE2 TYR 73 -3.855 12.456 2.866 556 HH TYR 73 HH TYR 73 -6.075 11.666 3.590 557 H PHE 74 H PHE 74 2.488 9.409 4.120 558 HA PHE 74 HA PHE 74 3.741 7.809 2.142 559 1HB PHE 74 1HB PHE 74 5.623 9.060 2.375 560 2HB PHE 74 2HB PHE 74 4.427 10.166 2.999 561 HD1 PHE 74 HD1 PHE 74 7.457 10.131 3.268 562 HD2 PHE 74 HD2 PHE 74 4.349 8.810 5.846 563 HE1 PHE 74 HE1 PHE 74 8.900 10.551 5.210 564 HE2 PHE 74 HE2 PHE 74 5.791 9.223 7.795 565 HZ PHE 74 HZ PHE 74 8.067 10.097 7.480 566 H MET 75 H MET 75 3.644 7.545 5.665 567 HA MET 75 HA MET 75 5.297 5.177 5.631 568 1HB MET 75 1HB MET 75 3.889 5.068 8.007 569 2HB MET 75 2HB MET 75 5.451 5.840 7.788 570 1HG MET 75 1HG MET 75 4.582 7.934 7.804 571 2HG MET 75 2HG MET 75 2.993 7.433 7.241 572 1HE MET 75 1HE MET 75 5.076 5.808 10.185 573 2HE MET 75 2HE MET 75 4.533 6.784 11.549 574 3HE MET 75 3HE MET 75 5.486 7.521 10.263 575 H LYS 76 H LYS 76 1.927 6.041 5.731 576 HA LYS 76 HA LYS 76 0.859 3.441 5.929 577 1HB LYS 76 1HB LYS 76 -0.387 5.560 6.341 578 2HB LYS 76 2HB LYS 76 -0.329 5.884 4.625 579 1HG LYS 76 1HG LYS 76 -1.403 3.317 4.895 580 2HG LYS 76 2HG LYS 76 -2.192 4.335 6.100 581 1HD LYS 76 1HD LYS 76 -3.443 4.455 4.053 582 2HD LYS 76 2HD LYS 76 -2.647 5.999 4.322 583 1HE LYS 76 1HE LYS 76 -1.307 3.902 2.687 584 2HE LYS 76 2HE LYS 76 -2.585 4.901 1.989 585 1HZ LYS 76 1HZ LYS 76 -0.477 5.880 1.531 586 2HZ LYS 76 2HZ LYS 76 -0.053 5.857 3.166 587 3HZ LYS 76 3HZ LYS 76 -1.304 6.859 2.633 588 H SER 77 H SER 77 2.286 5.303 3.387 589 HA SER 77 HA SER 77 1.270 3.814 1.178 590 1HB SER 77 1HB SER 77 2.690 5.051 -0.162 591 2HB SER 77 2HB SER 77 2.670 6.109 1.246 592 HG SER 77 HG SER 77 4.785 5.773 0.691 593 H ILE 78 H ILE 78 4.295 3.817 3.027 594 HA ILE 78 HA ILE 78 5.544 1.630 1.926 595 HB ILE 78 HB ILE 78 5.953 3.182 4.201 596 1HG1 ILE 78 1HG1 ILE 78 8.076 1.895 4.393 597 2HG1 ILE 78 2HG1 ILE 78 7.431 0.731 3.235 598 1HG2 ILE 78 1HG2 ILE 78 4.593 1.585 5.510 599 2HG2 ILE 78 2HG2 ILE 78 6.270 1.675 6.052 600 3HG2 ILE 78 3HG2 ILE 78 5.728 0.304 5.080 601 1HD1 ILE 78 1HD1 ILE 78 7.445 3.595 2.488 602 2HD1 ILE 78 2HD1 ILE 78 7.638 2.152 1.482 603 3HD1 ILE 78 3HD1 ILE 78 8.976 2.715 2.491 604 H ASP 79 H ASP 79 2.932 1.795 4.259 605 HA ASP 79 HA ASP 79 2.731 -0.961 4.796 606 1HB ASP 79 1HB ASP 79 1.025 1.432 5.207 607 2HB ASP 79 2HB ASP 79 0.223 -0.129 5.286 608 H CYS 80 H CYS 80 1.129 1.116 2.384 609 HA CYS 80 HA CYS 80 -0.612 -0.821 1.341 610 1HB CYS 80 1HB CYS 80 -1.012 0.641 -0.390 611 2HB CYS 80 2HB CYS 80 -0.268 1.758 0.751 612 HG CYS 80 HG CYS 80 1.511 2.562 -0.902 613 H ILE 81 H ILE 81 2.734 0.014 0.580 614 HA ILE 81 HA ILE 81 3.164 -1.779 -1.503 615 HB ILE 81 HB ILE 81 4.977 -0.602 0.590 616 1HG1 ILE 81 1HG1 ILE 81 6.073 -0.011 -1.816 617 2HG1 ILE 81 2HG1 ILE 81 4.372 -0.150 -2.264 618 1HG2 ILE 81 1HG2 ILE 81 5.985 -2.692 0.402 619 2HG2 ILE 81 2HG2 ILE 81 6.887 -1.663 -0.714 620 3HG2 ILE 81 3HG2 ILE 81 5.675 -2.790 -1.334 621 1HD1 ILE 81 1HD1 ILE 81 3.751 1.565 -0.768 622 2HD1 ILE 81 2HD1 ILE 81 5.167 2.146 -1.645 623 3HD1 ILE 81 3HD1 ILE 81 5.333 1.553 0.010 624 H ARG 82 H ARG 82 3.362 -2.043 1.985 625 HA ARG 82 HA ARG 82 4.250 -4.688 2.227 626 1HB ARG 82 1HB ARG 82 3.060 -2.634 3.953 627 2HB ARG 82 2HB ARG 82 2.683 -4.278 4.449 628 1HG ARG 82 1HG ARG 82 4.584 -3.890 5.637 629 2HG ARG 82 2HG ARG 82 5.262 -4.615 4.180 630 1HD ARG 82 1HD ARG 82 5.817 -2.434 3.309 631 2HD ARG 82 2HD ARG 82 5.026 -1.643 4.667 632 HE ARG 82 HE ARG 82 7.561 -3.107 4.743 633 1HH1 ARG 82 1HH1 ARG 82 5.157 -1.172 6.357 634 2HH1 ARG 82 2HH1 ARG 82 6.180 -0.791 7.701 635 1HH2 ARG 82 1HH2 ARG 82 8.913 -2.616 6.511 636 2HH2 ARG 82 2HH2 ARG 82 8.316 -1.611 7.789 637 H ALA 83 H ALA 83 1.159 -3.296 1.537 638 HA ALA 83 HA ALA 83 -0.439 -5.561 2.188 639 1HB ALA 83 1HB ALA 83 -1.035 -3.211 0.402 640 2HB ALA 83 2HB ALA 83 -1.407 -3.345 2.120 641 3HB ALA 83 3HB ALA 83 -2.213 -4.400 0.957 642 H PHE 84 H PHE 84 0.761 -4.247 -0.907 643 HA PHE 84 HA PHE 84 -0.294 -6.543 -2.307 644 1HB PHE 84 1HB PHE 84 0.005 -5.395 -4.254 645 2HB PHE 84 2HB PHE 84 -0.106 -4.052 -3.128 646 HD1 PHE 84 HD1 PHE 84 1.931 -5.776 -5.534 647 HD2 PHE 84 HD2 PHE 84 1.983 -2.899 -2.405 648 HE1 PHE 84 HE1 PHE 84 4.081 -4.919 -6.365 649 HE2 PHE 84 HE2 PHE 84 4.137 -2.038 -3.224 650 HZ PHE 84 HZ PHE 84 5.188 -3.047 -5.208 651 H ARG 85 H ARG 85 2.648 -5.829 -0.757 652 HA ARG 85 HA ARG 85 4.311 -7.411 -2.465 653 1HB ARG 85 1HB ARG 85 6.054 -7.041 -0.940 654 2HB ARG 85 2HB ARG 85 5.095 -5.572 -0.890 655 1HG ARG 85 1HG ARG 85 4.069 -6.280 1.186 656 2HG ARG 85 2HG ARG 85 4.949 -7.808 1.119 657 1HD ARG 85 1HD ARG 85 6.138 -5.050 1.381 658 2HD ARG 85 2HD ARG 85 6.060 -6.287 2.637 659 HE ARG 85 HE ARG 85 7.536 -6.831 0.161 660 1HH1 ARG 85 1HH1 ARG 85 7.499 -6.328 3.609 661 2HH1 ARG 85 2HH1 ARG 85 9.119 -6.898 3.839 662 1HH2 ARG 85 1HH2 ARG 85 9.666 -7.583 0.454 663 2HH2 ARG 85 2HH2 ARG 85 10.351 -7.609 2.043 664 H GLU 86 H GLU 86 2.705 -7.961 0.651 665 HA GLU 86 HA GLU 86 3.660 -10.622 0.968 666 1HB GLU 86 1HB GLU 86 1.290 -9.245 2.244 667 2HB GLU 86 2HB GLU 86 1.977 -10.777 2.768 668 1HG GLU 86 1HG GLU 86 4.085 -9.647 3.286 669 2HG GLU 86 2HG GLU 86 3.377 -8.113 2.783 670 H GLU 87 H GLU 87 0.486 -9.311 0.006 671 HA GLU 87 HA GLU 87 -0.841 -11.702 -0.401 672 1HB GLU 87 1HB GLU 87 -1.107 -9.096 -1.906 673 2HB GLU 87 2HB GLU 87 -2.237 -10.435 -2.056 674 1HG GLU 87 1HG GLU 87 -1.648 -8.864 0.442 675 2HG GLU 87 2HG GLU 87 -3.103 -8.765 -0.546 676 H ALA 88 H ALA 88 1.307 -9.960 -2.612 677 HA ALA 88 HA ALA 88 0.887 -11.481 -4.904 678 1HB ALA 88 1HB ALA 88 3.571 -10.382 -4.116 679 2HB ALA 88 2HB ALA 88 2.250 -9.364 -4.692 680 3HB ALA 88 3HB ALA 88 2.914 -10.619 -5.735 681 H ILE 89 H ILE 89 3.067 -12.052 -2.169 682 HA ILE 89 HA ILE 89 4.443 -14.248 -3.183 683 HB ILE 89 HB ILE 89 4.494 -12.908 -0.810 684 1HG1 ILE 89 1HG1 ILE 89 6.370 -14.077 -1.872 685 2HG1 ILE 89 2HG1 ILE 89 6.274 -14.460 -0.157 686 1HG2 ILE 89 1HG2 ILE 89 3.443 -15.661 -0.163 687 2HG2 ILE 89 2HG2 ILE 89 2.593 -14.138 0.097 688 3HG2 ILE 89 3HG2 ILE 89 4.066 -14.489 0.999 689 1HD1 ILE 89 1HD1 ILE 89 5.282 -16.217 -2.389 690 2HD1 ILE 89 2HD1 ILE 89 5.274 -16.605 -0.668 691 3HD1 ILE 89 3HD1 ILE 89 6.806 -16.415 -1.522 692 H LYS 90 H LYS 90 1.271 -14.019 -1.695 693 HA LYS 90 HA LYS 90 0.880 -16.889 -1.758 694 1HB LYS 90 1HB LYS 90 -0.998 -14.649 -0.988 695 2HB LYS 90 2HB LYS 90 -1.356 -16.363 -0.831 696 1HG LYS 90 1HG LYS 90 0.919 -14.967 0.561 697 2HG LYS 90 2HG LYS 90 -0.657 -15.284 1.285 698 1HD LYS 90 1HD LYS 90 1.170 -17.420 0.187 699 2HD LYS 90 2HD LYS 90 1.096 -16.953 1.887 700 1HE LYS 90 1HE LYS 90 -1.241 -17.602 1.988 701 2HE LYS 90 2HE LYS 90 -1.228 -17.993 0.270 702 1HZ LYS 90 1HZ LYS 90 0.347 -19.749 0.691 703 2HZ LYS 90 2HZ LYS 90 -1.007 -19.962 1.683 704 3HZ LYS 90 3HZ LYS 90 0.427 -19.343 2.332 705 H PHE 91 H PHE 91 0.369 -14.197 -3.783 706 HA PHE 91 HA PHE 91 -1.686 -15.546 -5.357 707 1HB PHE 91 1HB PHE 91 -0.784 -12.754 -5.056 708 2HB PHE 91 2HB PHE 91 -1.344 -13.227 -6.665 709 HD1 PHE 91 HD1 PHE 91 -3.659 -13.798 -7.047 710 HD2 PHE 91 HD2 PHE 91 -2.278 -12.798 -3.150 711 HE1 PHE 91 HE1 PHE 91 -5.986 -13.542 -6.295 712 HE2 PHE 91 HE2 PHE 91 -4.602 -12.542 -2.388 713 HZ PHE 91 HZ PHE 91 -6.472 -12.969 -3.979 714 H SER 92 H SER 92 1.439 -15.933 -5.187 715 HA SER 92 HA SER 92 3.099 -16.634 -6.569 716 1HB SER 92 1HB SER 92 0.750 -17.213 -8.378 717 2HB SER 92 2HB SER 92 2.389 -17.805 -8.644 718 HG SER 92 HG SER 92 0.468 -18.669 -6.886 719 H GLU 93 H GLU 93 2.207 -13.782 -6.761 720 HA GLU 93 HA GLU 93 3.063 -13.208 -9.513 721 1HB GLU 93 1HB GLU 93 1.559 -11.568 -7.482 722 2HB GLU 93 2HB GLU 93 2.272 -10.846 -8.923 723 1HG GLU 93 1HG GLU 93 0.215 -13.045 -8.897 724 2HG GLU 93 2HG GLU 93 -0.101 -11.341 -9.217 725 H GLU 94 H GLU 94 5.262 -13.365 -9.377 726 HA GLU 94 HA GLU 94 6.706 -12.039 -7.247 727 1HB GLU 94 1HB GLU 94 8.719 -12.906 -8.504 728 2HB GLU 94 2HB GLU 94 7.607 -14.128 -7.901 729 1HG GLU 94 1HG GLU 94 6.606 -14.279 -10.150 730 2HG GLU 94 2HG GLU 94 7.801 -13.122 -10.731 731 H GLN 95 H GLN 95 6.635 -11.779 -10.810 732 HA GLN 95 HA GLN 95 8.335 -9.584 -11.031 733 1HB GLN 95 1HB GLN 95 7.315 -9.222 -13.242 734 2HB GLN 95 2HB GLN 95 7.689 -10.917 -12.961 735 1HG GLN 95 1HG GLN 95 5.361 -11.372 -12.460 736 2HG GLN 95 2HG GLN 95 4.967 -9.665 -12.663 737 1HE2 GLN 95 1HE2 GLN 95 3.508 -10.081 -14.310 738 2HE2 GLN 95 2HE2 GLN 95 4.009 -10.553 -15.894 739 H ARG 96 H ARG 96 5.012 -9.755 -10.106 740 HA ARG 96 HA ARG 96 4.157 -7.154 -10.605 741 1HB ARG 96 1HB ARG 96 2.493 -8.632 -9.939 742 2HB ARG 96 2HB ARG 96 3.430 -9.226 -8.578 743 1HG ARG 96 1HG ARG 96 2.099 -7.947 -7.359 744 2HG ARG 96 2HG ARG 96 3.086 -6.605 -7.919 745 1HD ARG 96 1HD ARG 96 0.575 -6.402 -8.125 746 2HD ARG 96 2HD ARG 96 1.518 -5.991 -9.539 747 HE ARG 96 HE ARG 96 -0.077 -8.432 -9.183 748 1HH1 ARG 96 1HH1 ARG 96 1.734 -6.266 -11.226 749 2HH1 ARG 96 2HH1 ARG 96 1.216 -7.018 -12.698 750 1HH2 ARG 96 1HH2 ARG 96 -0.759 -9.428 -11.112 751 2HH2 ARG 96 2HH2 ARG 96 -0.201 -8.816 -12.632 752 H PHE 97 H PHE 97 5.555 -8.435 -7.593 753 HA PHE 97 HA PHE 97 5.545 -5.984 -6.269 754 1HB PHE 97 1HB PHE 97 5.836 -8.225 -5.189 755 2HB PHE 97 2HB PHE 97 7.486 -8.253 -5.789 756 HD1 PHE 97 HD1 PHE 97 8.263 -8.521 -3.444 757 HD2 PHE 97 HD2 PHE 97 6.123 -5.074 -4.724 758 HE1 PHE 97 HE1 PHE 97 9.007 -7.319 -1.434 759 HE2 PHE 97 HE2 PHE 97 6.860 -3.868 -2.712 760 HZ PHE 97 HZ PHE 97 8.327 -5.034 -1.045 761 H ASN 98 H ASN 98 8.230 -7.541 -8.087 762 HA ASN 98 HA ASN 98 10.032 -5.397 -7.593 763 1HB ASN 98 1HB ASN 98 11.246 -6.349 -9.648 764 2HB ASN 98 2HB ASN 98 11.090 -7.385 -8.239 765 1HD2 ASN 98 1HD2 ASN 98 9.899 -6.726 -11.453 766 2HD2 ASN 98 2HD2 ASN 98 9.211 -8.287 -11.725 767 H ASN 99 H ASN 99 7.470 -5.849 -9.897 768 HA ASN 99 HA ASN 99 8.430 -3.868 -11.723 769 1HB ASN 99 1HB ASN 99 6.795 -5.708 -12.315 770 2HB ASN 99 2HB ASN 99 5.580 -4.830 -11.390 771 1HD2 ASN 99 1HD2 ASN 99 8.046 -3.263 -13.303 772 2HD2 ASN 99 2HD2 ASN 99 6.983 -2.637 -14.511 773 H PHE 100 H PHE 100 5.945 -3.894 -9.189 774 HA PHE 100 HA PHE 100 5.429 -1.091 -9.550 775 1HB PHE 100 1HB PHE 100 4.444 -3.164 -7.615 776 2HB PHE 100 2HB PHE 100 4.037 -1.455 -7.428 777 HD1 PHE 100 HD1 PHE 100 2.451 -4.115 -8.194 778 HD2 PHE 100 HD2 PHE 100 3.767 -0.657 -10.278 779 HE1 PHE 100 HE1 PHE 100 0.637 -4.398 -9.769 780 HE2 PHE 100 HE2 PHE 100 1.931 -0.933 -11.890 781 HZ PHE 100 HZ PHE 100 0.453 -2.698 -11.774 782 H LEU 101 H LEU 101 7.665 -2.930 -7.797 783 HA LEU 101 HA LEU 101 8.047 -0.877 -5.836 784 1HB LEU 101 1HB LEU 101 8.457 -3.254 -5.292 785 2HB LEU 101 2HB LEU 101 9.729 -3.307 -6.491 786 HG LEU 101 HG LEU 101 11.257 -2.241 -5.130 787 1HD1 LEU 101 1HD1 LEU 101 10.669 -0.774 -3.246 788 2HD1 LEU 101 2HD1 LEU 101 8.958 -0.992 -3.616 789 3HD1 LEU 101 3HD1 LEU 101 10.016 -0.182 -4.773 790 1HD2 LEU 101 1HD2 LEU 101 11.048 -4.140 -3.909 791 2HD2 LEU 101 2HD2 LEU 101 9.338 -3.877 -3.578 792 3HD2 LEU 101 3HD2 LEU 101 10.557 -2.980 -2.675 793 H LYS 102 H LYS 102 9.653 -2.076 -8.760 794 HA LYS 102 HA LYS 102 11.736 -0.100 -8.594 795 1HB LYS 102 1HB LYS 102 10.871 -1.893 -10.879 796 2HB LYS 102 2HB LYS 102 12.264 -0.834 -10.936 797 1HG LYS 102 1HG LYS 102 11.890 -3.392 -9.474 798 2HG LYS 102 2HG LYS 102 13.248 -2.834 -10.444 799 1HD LYS 102 1HD LYS 102 14.204 -2.612 -8.396 800 2HD LYS 102 2HD LYS 102 13.377 -1.054 -8.440 801 1HE LYS 102 1HE LYS 102 12.978 -2.159 -6.337 802 2HE LYS 102 2HE LYS 102 11.490 -2.000 -7.269 803 1HZ LYS 102 1HZ LYS 102 11.679 -4.303 -7.932 804 2HZ LYS 102 2HZ LYS 102 11.703 -4.194 -6.244 805 3HZ LYS 102 3HZ LYS 102 13.140 -4.467 -7.091 806 H ALA 103 H ALA 103 8.526 -0.286 -9.787 807 HA ALA 103 HA ALA 103 8.836 1.955 -11.530 808 1HB ALA 103 1HB ALA 103 6.330 0.576 -10.589 809 2HB ALA 103 2HB ALA 103 7.191 0.267 -12.097 810 3HB ALA 103 3HB ALA 103 6.396 1.821 -11.837 811 H LEU 104 H LEU 104 7.306 1.394 -8.369 812 HA LEU 104 HA LEU 104 6.446 4.057 -8.030 813 1HB LEU 104 1HB LEU 104 6.061 3.530 -5.740 814 2HB LEU 104 2HB LEU 104 5.641 2.116 -6.678 815 HG LEU 104 HG LEU 104 8.045 1.300 -6.036 816 1HD1 LEU 104 1HD1 LEU 104 8.566 2.108 -3.694 817 2HD1 LEU 104 2HD1 LEU 104 7.527 3.484 -4.063 818 3HD1 LEU 104 3HD1 LEU 104 8.971 3.188 -5.025 819 1HD2 LEU 104 1HD2 LEU 104 7.145 0.236 -4.056 820 2HD2 LEU 104 2HD2 LEU 104 5.924 0.274 -5.327 821 3HD2 LEU 104 3HD2 LEU 104 5.837 1.418 -3.988 822 H GLN 105 H GLN 105 9.478 2.387 -7.281 823 HA GLN 105 HA GLN 105 10.628 4.609 -5.933 824 1HB GLN 105 1HB GLN 105 11.774 2.799 -5.321 825 2HB GLN 105 2HB GLN 105 11.528 1.962 -6.849 826 1HG GLN 105 1HG GLN 105 13.828 2.291 -6.692 827 2HG GLN 105 2HG GLN 105 13.278 3.554 -7.797 828 1HE2 GLN 105 1HE2 GLN 105 13.384 5.686 -7.159 829 2HE2 GLN 105 2HE2 GLN 105 14.236 6.203 -5.749 830 H GLU 106 H GLU 106 11.155 3.310 -9.244 831 HA GLU 106 HA GLU 106 12.860 5.302 -10.127 832 1HB GLU 106 1HB GLU 106 12.267 4.743 -12.357 833 2HB GLU 106 2HB GLU 106 12.106 3.252 -11.437 834 1HG GLU 106 1HG GLU 106 9.725 3.495 -11.367 835 2HG GLU 106 2HG GLU 106 9.820 5.077 -12.137 836 H LYS 107 H LYS 107 9.425 5.306 -9.576 837 HA LYS 107 HA LYS 107 8.827 7.751 -10.862 838 1HB LYS 107 1HB LYS 107 7.180 5.971 -10.122 839 2HB LYS 107 2HB LYS 107 7.389 6.564 -8.481 840 1HG LYS 107 1HG LYS 107 6.644 8.809 -9.295 841 2HG LYS 107 2HG LYS 107 6.240 8.040 -10.831 842 1HD LYS 107 1HD LYS 107 4.235 8.124 -9.559 843 2HD LYS 107 2HD LYS 107 4.790 6.449 -9.524 844 1HE LYS 107 1HE LYS 107 4.026 7.218 -7.318 845 2HE LYS 107 2HE LYS 107 5.733 6.776 -7.316 846 1HZ LYS 107 1HZ LYS 107 6.299 9.122 -7.492 847 2HZ LYS 107 2HZ LYS 107 5.362 8.833 -6.114 848 3HZ LYS 107 3HZ LYS 107 4.660 9.541 -7.480 849 H VAL 108 H VAL 108 9.662 6.933 -7.476 850 HA VAL 108 HA VAL 108 9.391 9.518 -6.434 851 HB VAL 108 HB VAL 108 10.423 8.819 -4.510 852 1HG1 VAL 108 1HG1 VAL 108 8.620 7.271 -5.086 853 2HG1 VAL 108 2HG1 VAL 108 9.849 6.565 -4.035 854 3HG1 VAL 108 3HG1 VAL 108 9.825 6.165 -5.752 855 1HG2 VAL 108 1HG2 VAL 108 12.641 8.503 -4.960 856 2HG2 VAL 108 2HG2 VAL 108 12.323 7.383 -6.285 857 3HG2 VAL 108 3HG2 VAL 108 12.144 6.844 -4.616 858 H GLU 109 H GLU 109 12.023 8.047 -8.253 859 HA GLU 109 HA GLU 109 13.885 10.166 -7.745 860 1HB GLU 109 1HB GLU 109 14.317 8.827 -10.290 861 2HB GLU 109 2HB GLU 109 15.356 8.907 -8.876 862 1HG GLU 109 1HG GLU 109 13.919 7.112 -7.864 863 2HG GLU 109 2HG GLU 109 13.161 6.953 -9.447 864 H ILE 110 H ILE 110 11.904 9.337 -10.591 865 HA ILE 110 HA ILE 110 12.501 11.487 -12.207 866 HB ILE 110 HB ILE 110 10.086 9.776 -11.901 867 1HG1 ILE 110 1HG1 ILE 110 10.611 9.195 -14.226 868 2HG1 ILE 110 2HG1 ILE 110 11.898 10.392 -14.240 869 1HG2 ILE 110 1HG2 ILE 110 9.044 11.890 -12.319 870 2HG2 ILE 110 2HG2 ILE 110 9.010 10.954 -13.814 871 3HG2 ILE 110 3HG2 ILE 110 10.188 12.251 -13.612 872 1HD1 ILE 110 1HD1 ILE 110 11.770 7.805 -12.741 873 2HD1 ILE 110 2HD1 ILE 110 12.943 9.064 -12.354 874 3HD1 ILE 110 3HD1 ILE 110 12.943 8.319 -13.953 875 H LYS 111 H LYS 111 10.068 11.280 -9.654 876 HA LYS 111 HA LYS 111 9.648 14.184 -9.827 877 1HB LYS 111 1HB LYS 111 7.970 11.894 -8.914 878 2HB LYS 111 2HB LYS 111 7.740 13.440 -8.112 879 1HG LYS 111 1HG LYS 111 7.619 14.275 -10.636 880 2HG LYS 111 2HG LYS 111 7.074 12.611 -10.868 881 1HD LYS 111 1HD LYS 111 5.905 14.577 -8.898 882 2HD LYS 111 2HD LYS 111 5.199 14.159 -10.462 883 1HE LYS 111 1HE LYS 111 5.042 11.803 -9.711 884 2HE LYS 111 2HE LYS 111 5.653 12.293 -8.131 885 1HZ LYS 111 1HZ LYS 111 3.256 12.135 -8.111 886 2HZ LYS 111 2HZ LYS 111 3.133 13.235 -9.391 887 3HZ LYS 111 3HZ LYS 111 3.725 13.747 -7.891 888 H GLN 112 H GLN 112 8.589 14.436 -7.204 889 HA GLN 112 HA GLN 112 11.053 14.509 -5.685 890 1HB GLN 112 1HB GLN 112 8.285 15.588 -5.173 891 2HB GLN 112 2HB GLN 112 9.593 15.720 -4.005 892 1HG GLN 112 1HG GLN 112 9.439 17.780 -5.176 893 2HG GLN 112 2HG GLN 112 10.904 16.962 -5.714 894 1HE2 GLN 112 1HE2 GLN 112 11.027 16.180 -7.807 895 2HE2 GLN 112 2HE2 GLN 112 9.899 16.633 -9.035 896 H LEU 113 H LEU 113 9.018 14.360 -3.275 897 HA LEU 113 HA LEU 113 8.258 12.787 -1.820 898 1HB LEU 113 1HB LEU 113 8.320 11.049 -4.273 899 2HB LEU 113 2HB LEU 113 7.667 10.546 -2.727 900 HG LEU 113 HG LEU 113 5.924 11.223 -4.252 901 1HD1 LEU 113 1HD1 LEU 113 4.669 12.481 -2.723 902 2HD1 LEU 113 2HD1 LEU 113 6.092 13.344 -2.145 903 3HD1 LEU 113 3HD1 LEU 113 5.862 11.647 -1.728 904 1HD2 LEU 113 1HD2 LEU 113 7.086 13.989 -4.186 905 2HD2 LEU 113 2HD2 LEU 113 5.637 13.465 -5.042 906 3HD2 LEU 113 3HD2 LEU 113 7.222 12.876 -5.547 907 H ASN 114 H ASN 114 11.222 13.088 -2.604 908 HA ASN 114 HA ASN 114 12.530 10.653 -2.360 909 1HB ASN 114 1HB ASN 114 13.429 13.319 -1.233 910 2HB ASN 114 2HB ASN 114 14.460 11.926 -1.545 911 1HD2 ASN 114 1HD2 ASN 114 13.120 11.223 -4.018 912 2HD2 ASN 114 2HD2 ASN 114 13.616 12.392 -5.189 913 H HIS 115 H HIS 115 10.960 12.628 0.057 914 HA HIS 115 HA HIS 115 12.031 11.535 2.391 915 1HB HIS 115 1HB HIS 115 9.151 12.366 1.992 916 2HB HIS 115 2HB HIS 115 10.040 12.320 3.510 917 HD1 HIS 115 HD1 HIS 115 9.188 14.513 0.729 918 HD2 HIS 115 HD2 HIS 115 12.138 14.351 3.652 919 HE1 HIS 115 HE1 HIS 115 10.205 16.813 0.787 920 HE2 HIS 115 HE2 HIS 115 11.935 16.712 2.617 921 H PHE 116 H PHE 116 9.248 10.501 0.440 922 HA PHE 116 HA PHE 116 8.441 8.306 1.927 923 1HB PHE 116 1HB PHE 116 7.037 8.794 0.131 924 2HB PHE 116 2HB PHE 116 8.374 8.958 -1.000 925 HD1 PHE 116 HD1 PHE 116 6.959 6.319 1.215 926 HD2 PHE 116 HD2 PHE 116 8.492 7.339 -2.619 927 HE1 PHE 116 HE1 PHE 116 6.556 4.022 0.448 928 HE2 PHE 116 HE2 PHE 116 8.093 5.040 -3.394 929 HZ PHE 116 HZ PHE 116 7.170 3.380 -1.896 930 H TRP 117 H TRP 117 10.850 8.527 -0.655 931 HA TRP 117 HA TRP 117 11.753 5.904 -0.641 932 1HB TRP 117 1HB TRP 117 12.550 7.208 -2.408 933 2HB TRP 117 2HB TRP 117 13.019 8.532 -1.351 934 HD1 TRP 117 HD1 TRP 117 15.547 8.760 -1.114 935 HE1 TRP 117 HE1 TRP 117 17.573 7.181 -1.263 936 HE3 TRP 117 HE3 TRP 117 13.086 4.354 -1.926 937 HZ2 TRP 117 HZ2 TRP 117 18.063 4.434 -1.671 938 HZ3 TRP 117 HZ3 TRP 117 14.408 2.296 -2.185 939 HH2 TRP 117 HH2 TRP 117 16.845 2.337 -2.059 940 H GLU 118 H GLU 118 12.636 8.656 1.383 941 HA GLU 118 HA GLU 118 14.814 7.581 2.727 942 1HB GLU 118 1HB GLU 118 12.712 9.453 3.830 943 2HB GLU 118 2HB GLU 118 14.285 9.155 4.550 944 1HG GLU 118 1HG GLU 118 13.721 10.465 1.906 945 2HG GLU 118 2HG GLU 118 14.344 11.227 3.365 946 H ILE 119 H ILE 119 11.357 7.477 3.725 947 HA ILE 119 HA ILE 119 11.897 5.896 6.002 948 HB ILE 119 HB ILE 119 9.547 5.386 6.147 949 1HG1 ILE 119 1HG1 ILE 119 9.355 6.579 3.380 950 2HG1 ILE 119 2HG1 ILE 119 9.005 4.913 3.838 951 1HG2 ILE 119 1HG2 ILE 119 10.388 7.593 6.839 952 2HG2 ILE 119 2HG2 ILE 119 8.695 7.627 6.344 953 3HG2 ILE 119 3HG2 ILE 119 9.945 8.233 5.256 954 1HD1 ILE 119 1HD1 ILE 119 6.950 6.075 3.523 955 2HD1 ILE 119 2HD1 ILE 119 7.457 7.376 4.601 956 3HD1 ILE 119 3HD1 ILE 119 7.155 5.764 5.246 957 H VAL 120 H VAL 120 11.257 4.959 2.619 958 HA VAL 120 HA VAL 120 10.964 2.206 3.255 959 HB VAL 120 HB VAL 120 10.591 1.893 1.106 960 1HG1 VAL 120 1HG1 VAL 120 10.481 3.794 -0.439 961 2HG1 VAL 120 2HG1 VAL 120 11.324 4.782 0.755 962 3HG1 VAL 120 3HG1 VAL 120 9.729 4.130 1.121 963 1HG2 VAL 120 1HG2 VAL 120 12.899 1.352 0.756 964 2HG2 VAL 120 2HG2 VAL 120 13.299 3.053 0.517 965 3HG2 VAL 120 3HG2 VAL 120 12.268 2.216 -0.645 966 H VAL 121 H VAL 121 13.835 4.251 2.795 967 HA VAL 121 HA VAL 121 15.701 2.071 2.815 968 HB VAL 121 HB VAL 121 17.386 3.558 2.713 969 1HG1 VAL 121 1HG1 VAL 121 15.602 4.305 1.110 970 2HG1 VAL 121 2HG1 VAL 121 16.855 5.482 1.503 971 3HG1 VAL 121 3HG1 VAL 121 15.262 5.609 2.249 972 1HG2 VAL 121 1HG2 VAL 121 17.410 5.748 3.948 973 2HG2 VAL 121 2HG2 VAL 121 17.383 4.300 4.952 974 3HG2 VAL 121 3HG2 VAL 121 15.910 5.234 4.719 975 H GLN 122 H GLN 122 14.144 4.057 5.190 976 HA GLN 122 HA GLN 122 15.641 3.046 7.430 977 1HB GLN 122 1HB GLN 122 14.835 5.293 7.559 978 2HB GLN 122 2HB GLN 122 13.199 4.796 7.154 979 1HG GLN 122 1HG GLN 122 12.922 3.737 9.262 980 2HG GLN 122 2HG GLN 122 14.622 3.974 9.664 981 1HE2 GLN 122 1HE2 GLN 122 14.616 6.682 8.513 982 2HE2 GLN 122 2HE2 GLN 122 13.803 7.678 9.667 983 H ASP 123 H ASP 123 13.009 2.011 5.579 984 HA ASP 123 HA ASP 123 12.068 0.203 7.705 985 1HB ASP 123 1HB ASP 123 10.689 1.355 5.281 986 2HB ASP 123 2HB ASP 123 10.040 -0.033 6.150 987 H GLY 124 H GLY 124 13.932 0.330 4.938 988 1HA GLY 124 1HA GLY 124 14.764 -1.263 3.505 989 2HA GLY 124 2HA GLY 124 14.425 -2.408 4.794 990 H ILE 125 H ILE 125 12.889 -0.647 2.132 991 HA ILE 125 HA ILE 125 11.093 -2.951 1.730 992 HB ILE 125 HB ILE 125 10.301 -0.056 1.414 993 1HG1 ILE 125 1HG1 ILE 125 10.758 -0.554 3.769 994 2HG1 ILE 125 2HG1 ILE 125 9.037 -0.310 3.495 995 1HG2 ILE 125 1HG2 ILE 125 8.590 -2.528 1.506 996 2HG2 ILE 125 2HG2 ILE 125 9.053 -1.668 0.038 997 3HG2 ILE 125 3HG2 ILE 125 8.051 -0.868 1.249 998 1HD1 ILE 125 1HD1 ILE 125 8.637 -2.673 3.592 999 2HD1 ILE 125 2HD1 ILE 125 9.537 -2.175 5.024 1000 3HD1 ILE 125 3HD1 ILE 125 10.365 -2.998 3.704 1001 H THR 126 H THR 126 13.119 -3.203 0.117 1002 HA THR 126 HA THR 126 12.098 -2.272 -2.433 1003 HB THR 126 HB THR 126 15.007 -1.841 -1.798 1004 HG1 THR 126 HG1 THR 126 13.111 0.233 -2.094 1005 1HG2 THR 126 1HG2 THR 126 14.575 -2.120 -4.164 1006 2HG2 THR 126 2HG2 THR 126 14.905 -0.420 -3.831 1007 3HG2 THR 126 3HG2 THR 126 13.245 -0.962 -4.089 1008 H LEU 127 H LEU 127 13.085 -3.231 -4.302 1009 HA LEU 127 HA LEU 127 13.383 -5.077 -5.543 1010 1HB LEU 127 1HB LEU 127 15.544 -5.794 -5.628 1011 2HB LEU 127 2HB LEU 127 15.693 -4.259 -4.805 1012 HG LEU 127 HG LEU 127 15.631 -5.749 -2.630 1013 1HD1 LEU 127 1HD1 LEU 127 15.467 -7.734 -4.570 1014 2HD1 LEU 127 2HD1 LEU 127 15.863 -7.950 -2.866 1015 3HD1 LEU 127 3HD1 LEU 127 17.152 -7.753 -4.053 1016 1HD2 LEU 127 1HD2 LEU 127 18.082 -5.804 -4.375 1017 2HD2 LEU 127 2HD2 LEU 127 17.996 -5.724 -2.615 1018 3HD2 LEU 127 3HD2 LEU 127 17.501 -4.338 -3.585 1019 H ILE 128 H ILE 128 13.800 -7.457 -5.671 1020 HA ILE 128 HA ILE 128 12.162 -8.785 -3.654 1021 HB ILE 128 HB ILE 128 13.192 -9.892 -6.265 1022 1HG1 ILE 128 1HG1 ILE 128 11.745 -7.987 -6.708 1023 2HG1 ILE 128 2HG1 ILE 128 10.920 -9.481 -7.140 1024 1HG2 ILE 128 1HG2 ILE 128 12.483 -11.456 -4.379 1025 2HG2 ILE 128 2HG2 ILE 128 11.753 -11.710 -5.964 1026 3HG2 ILE 128 3HG2 ILE 128 10.843 -10.891 -4.692 1027 1HD1 ILE 128 1HD1 ILE 128 9.421 -7.935 -6.038 1028 2HD1 ILE 128 2HD1 ILE 128 10.482 -7.882 -4.632 1029 3HD1 ILE 128 3HD1 ILE 128 9.656 -9.381 -5.058 1030 H THR 129 H THR 129 13.175 -9.635 -2.005 1031 HA THR 129 HA THR 129 15.945 -10.073 -1.939 1032 HB THR 129 HB THR 129 15.706 -10.654 0.271 1033 HG1 THR 129 HG1 THR 129 13.026 -11.463 0.146 1034 1HG2 THR 129 1HG2 THR 129 12.991 -9.440 0.071 1035 2HG2 THR 129 2HG2 THR 129 14.393 -8.505 -0.454 1036 3HG2 THR 129 3HG2 THR 129 14.303 -9.105 1.204 1037 H LYS 130 H LYS 130 16.215 -11.352 -3.833 1038 HA LYS 130 HA LYS 130 16.973 -13.916 -3.433 1039 1HB LYS 130 1HB LYS 130 15.209 -15.261 -4.593 1040 2HB LYS 130 2HB LYS 130 14.746 -14.668 -3.010 1041 1HG LYS 130 1HG LYS 130 13.628 -12.747 -4.278 1042 2HG LYS 130 2HG LYS 130 13.816 -13.774 -5.706 1043 1HD LYS 130 1HD LYS 130 11.653 -14.218 -4.836 1044 2HD LYS 130 2HD LYS 130 12.668 -15.593 -4.397 1045 1HE LYS 130 1HE LYS 130 12.982 -14.634 -2.161 1046 2HE LYS 130 2HE LYS 130 11.944 -13.279 -2.603 1047 1HZ LYS 130 1HZ LYS 130 10.691 -14.888 -1.366 1048 2HZ LYS 130 2HZ LYS 130 11.139 -16.130 -2.421 1049 3HZ LYS 130 3HZ LYS 130 10.135 -14.883 -2.963 1050 H GLU 131 H GLU 131 14.954 -12.494 -6.011 1051 HA GLU 131 HA GLU 131 16.891 -11.610 -7.711 1052 1HB GLU 131 1HB GLU 131 17.031 -13.534 -9.366 1053 2HB GLU 131 2HB GLU 131 17.929 -13.745 -7.869 1054 1HG GLU 131 1HG GLU 131 16.022 -15.076 -6.985 1055 2HG GLU 131 2HG GLU 131 15.275 -14.967 -8.580 1056 H GLU 132 H GLU 132 14.382 -10.767 -7.218 1057 HA GLU 132 HA GLU 132 12.440 -10.082 -8.196 1058 1HB GLU 132 1HB GLU 132 13.827 -10.967 -10.733 1059 2HB GLU 132 2HB GLU 132 12.390 -9.957 -10.658 1060 1HG GLU 132 1HG GLU 132 13.681 -8.250 -9.444 1061 2HG GLU 132 2HG GLU 132 15.124 -9.257 -9.609 1062 H ALA 133 H ALA 133 12.742 -12.836 -7.276 1063 HA ALA 133 HA ALA 133 10.760 -14.180 -8.996 1064 1HB ALA 133 1HB ALA 133 12.897 -15.347 -8.913 1065 2HB ALA 133 2HB ALA 133 11.631 -16.295 -8.132 1066 3HB ALA 133 3HB ALA 133 12.804 -15.409 -7.154 1067 H SER 134 H SER 134 10.168 -16.231 -7.134 1068 HA SER 134 HA SER 134 8.748 -14.724 -5.034 1069 1HB SER 134 1HB SER 134 6.940 -16.409 -5.217 1070 2HB SER 134 2HB SER 134 7.179 -15.526 -6.727 1071 HG SER 134 HG SER 134 8.666 -17.838 -6.465 1072 H GLY 135 H GLY 135 11.169 -16.909 -5.586 1073 1HA GLY 135 1HA GLY 135 11.097 -17.809 -2.821 1074 2HA GLY 135 2HA GLY 135 10.990 -19.081 -4.027 1075 H SER 136 H SER 136 12.784 -19.498 -5.373 1076 HA SER 136 HA SER 136 14.988 -19.787 -5.844 1077 1HB SER 136 1HB SER 136 14.804 -17.312 -6.337 1078 2HB SER 136 2HB SER 136 15.420 -17.021 -4.711 1079 HG SER 136 HG SER 136 16.722 -18.249 -6.895 1080 H SER 137 H SER 137 17.321 -19.325 -4.731 1081 HA SER 137 HA SER 137 17.044 -20.338 -1.982 1082 1HB SER 137 1HB SER 137 18.088 -21.936 -3.528 1083 2HB SER 137 2HB SER 137 19.311 -20.739 -3.952 1084 HG SER 137 HG SER 137 20.210 -22.010 -2.396 1085 H VAL 138 H VAL 138 17.755 -17.606 -3.638 1086 HA VAL 138 HA VAL 138 20.065 -16.681 -2.226 1087 HB VAL 138 HB VAL 138 18.001 -15.204 -3.864 1088 1HG1 VAL 138 1HG1 VAL 138 19.629 -13.346 -3.908 1089 2HG1 VAL 138 2HG1 VAL 138 20.617 -14.211 -2.730 1090 3HG1 VAL 138 3HG1 VAL 138 19.002 -13.655 -2.288 1091 1HG2 VAL 138 1HG2 VAL 138 19.334 -16.800 -5.129 1092 2HG2 VAL 138 2HG2 VAL 138 20.816 -16.078 -4.502 1093 3HG2 VAL 138 3HG2 VAL 138 19.761 -15.145 -5.563 1094 H THR 139 H THR 139 20.133 -15.015 -0.634 1095 HA THR 139 HA THR 139 17.760 -15.046 1.100 1096 HB THR 139 HB THR 139 19.655 -16.070 2.149 1097 HG1 THR 139 HG1 THR 139 19.939 -13.772 3.561 1098 1HG2 THR 139 1HG2 THR 139 21.402 -15.028 0.770 1099 2HG2 THR 139 2HG2 THR 139 21.767 -14.910 2.493 1100 3HG2 THR 139 3HG2 THR 139 21.155 -13.503 1.623 1101 H ALA 140 H ALA 140 17.906 -13.157 2.741 1102 HA ALA 140 HA ALA 140 17.021 -10.827 1.603 1103 1HB ALA 140 1HB ALA 140 18.361 -11.082 4.288 1104 2HB ALA 140 2HB ALA 140 16.685 -11.507 3.941 1105 3HB ALA 140 3HB ALA 140 17.222 -9.834 3.787 1106 H GLU 141 H GLU 141 20.270 -11.823 1.564 1107 HA GLU 141 HA GLU 141 21.837 -9.692 2.124 1108 1HB GLU 141 1HB GLU 141 21.966 -11.734 -0.036 1109 2HB GLU 141 2HB GLU 141 23.104 -10.394 -0.087 1110 1HG GLU 141 1HG GLU 141 23.904 -10.952 2.126 1111 2HG GLU 141 2HG GLU 141 22.724 -12.255 2.243 1112 H GLU 142 H GLU 142 20.165 -10.058 -1.044 1113 HA GLU 142 HA GLU 142 20.995 -7.605 -2.108 1114 1HB GLU 142 1HB GLU 142 18.214 -8.705 -2.586 1115 2HB GLU 142 2HB GLU 142 19.255 -7.824 -3.702 1116 1HG GLU 142 1HG GLU 142 19.702 -10.634 -2.724 1117 2HG GLU 142 2HG GLU 142 19.100 -10.166 -4.315 1118 H ALA 143 H ALA 143 18.266 -8.480 -0.123 1119 HA ALA 143 HA ALA 143 17.187 -5.867 0.103 1120 1HB ALA 143 1HB ALA 143 16.020 -7.006 2.134 1121 2HB ALA 143 2HB ALA 143 16.672 -8.482 1.415 1122 3HB ALA 143 3HB ALA 143 15.594 -7.440 0.480 1123 H LYS 144 H LYS 144 19.878 -7.368 1.509 1124 HA LYS 144 HA LYS 144 19.762 -5.859 3.952 1125 1HB LYS 144 1HB LYS 144 21.424 -7.199 4.648 1126 2HB LYS 144 2HB LYS 144 21.112 -8.121 3.187 1127 1HG LYS 144 1HG LYS 144 22.854 -6.714 2.048 1128 2HG LYS 144 2HG LYS 144 23.249 -6.055 3.638 1129 1HD LYS 144 1HD LYS 144 23.367 -8.967 2.837 1130 2HD LYS 144 2HD LYS 144 24.749 -7.892 3.059 1131 1HE LYS 144 1HE LYS 144 24.057 -7.588 5.428 1132 2HE LYS 144 2HE LYS 144 22.788 -8.784 5.169 1133 1HZ LYS 144 1HZ LYS 144 24.762 -9.759 6.180 1134 2HZ LYS 144 2HZ LYS 144 25.701 -9.278 4.859 1135 3HZ LYS 144 3HZ LYS 144 24.475 -10.424 4.651 1136 H LYS 145 H LYS 145 21.544 -5.673 0.881 1137 HA LYS 145 HA LYS 145 22.670 -3.094 1.667 1138 1HB LYS 145 1HB LYS 145 23.172 -4.914 -0.672 1139 2HB LYS 145 2HB LYS 145 23.854 -3.298 -0.579 1140 1HG LYS 145 1HG LYS 145 24.294 -5.473 1.456 1141 2HG LYS 145 2HG LYS 145 25.416 -5.045 0.162 1142 1HD LYS 145 1HD LYS 145 24.466 -2.917 2.024 1143 2HD LYS 145 2HD LYS 145 25.701 -4.050 2.578 1144 1HE LYS 145 1HE LYS 145 26.785 -2.110 1.672 1145 2HE LYS 145 2HE LYS 145 27.056 -3.468 0.583 1146 1HZ LYS 145 1HZ LYS 145 25.339 -2.636 -0.866 1147 2HZ LYS 145 2HZ LYS 145 26.478 -1.417 -0.596 1148 3HZ LYS 145 3HZ LYS 145 24.987 -1.372 0.201 1149 H PHE 146 H PHE 146 19.913 -4.100 -0.036 1150 HA PHE 146 HA PHE 146 19.769 -2.517 -2.222 1151 1HB PHE 146 1HB PHE 146 17.321 -2.533 -2.023 1152 2HB PHE 146 2HB PHE 146 18.058 -4.097 -1.756 1153 HD1 PHE 146 HD1 PHE 146 15.479 -4.073 -1.110 1154 HD2 PHE 146 HD2 PHE 146 18.633 -2.470 1.231 1155 HE1 PHE 146 HE1 PHE 146 14.105 -4.335 0.901 1156 HE2 PHE 146 HE2 PHE 146 17.261 -2.724 3.254 1157 HZ PHE 146 HZ PHE 146 14.995 -3.666 3.092 1158 H LEU 147 H LEU 147 19.264 -1.219 1.066 1159 HA LEU 147 HA LEU 147 19.808 1.392 0.024 1160 1HB LEU 147 1HB LEU 147 17.773 2.466 1.009 1161 2HB LEU 147 2HB LEU 147 17.567 1.606 -0.494 1162 HG LEU 147 HG LEU 147 15.779 1.416 1.346 1163 1HD1 LEU 147 1HD1 LEU 147 15.484 -1.045 0.706 1164 2HD1 LEU 147 2HD1 LEU 147 16.908 -0.780 -0.305 1165 3HD1 LEU 147 3HD1 LEU 147 15.459 0.187 -0.557 1166 1HD2 LEU 147 1HD2 LEU 147 17.198 0.848 3.211 1167 2HD2 LEU 147 2HD2 LEU 147 17.807 -0.570 2.357 1168 3HD2 LEU 147 3HD2 LEU 147 16.119 -0.501 2.860 1169 H ALA 148 H ALA 148 21.058 -0.334 1.865 1170 HA ALA 148 HA ALA 148 20.530 0.576 4.513 1171 1HB ALA 148 1HB ALA 148 21.497 -1.628 4.093 1172 2HB ALA 148 2HB ALA 148 22.539 -0.660 5.136 1173 3HB ALA 148 3HB ALA 148 22.945 -0.868 3.432 1174 HA PRO 149 HA PRO 149 23.003 4.254 4.420 1175 1HB PRO 149 1HB PRO 149 23.358 4.253 7.256 1176 2HB PRO 149 2HB PRO 149 22.192 5.172 6.310 1177 1HG PRO 149 1HG PRO 149 21.540 3.145 8.065 1178 2HG PRO 149 2HG PRO 149 20.514 3.692 6.728 1179 1HD PRO 149 1HD PRO 149 22.322 1.316 6.883 1180 2HD PRO 149 2HD PRO 149 20.729 1.476 6.113 1181 H LYS 150 H LYS 150 24.182 1.816 6.734 1182 HA LYS 150 HA LYS 150 26.819 2.733 6.894 1183 1HB LYS 150 1HB LYS 150 27.344 0.447 7.719 1184 2HB LYS 150 2HB LYS 150 25.959 1.178 8.520 1185 1HG LYS 150 1HG LYS 150 24.447 -0.132 7.139 1186 2HG LYS 150 2HG LYS 150 25.822 -0.845 6.293 1187 1HD LYS 150 1HD LYS 150 26.602 -1.832 8.392 1188 2HD LYS 150 2HD LYS 150 25.232 -1.112 9.241 1189 1HE LYS 150 1HE LYS 150 24.840 -3.474 8.715 1190 2HE LYS 150 2HE LYS 150 23.685 -2.419 7.902 1191 1HZ LYS 150 1HZ LYS 150 26.093 -3.643 6.667 1192 2HZ LYS 150 2HZ LYS 150 25.018 -2.600 5.882 1193 3HZ LYS 150 3HZ LYS 150 24.491 -4.119 6.407 1194 H ASP 151 H ASP 151 28.744 1.388 6.170 1195 HA ASP 151 HA ASP 151 28.369 0.450 3.405 1196 1HB ASP 151 1HB ASP 151 30.595 2.211 4.454 1197 2HB ASP 151 2HB ASP 151 30.572 1.478 2.854 1198 H LYS 152 H LYS 152 28.969 -1.587 3.193 1199 HA LYS 152 HA LYS 152 30.377 -3.004 5.205 1200 1HB LYS 152 1HB LYS 152 29.812 -3.824 2.353 1201 2HB LYS 152 2HB LYS 152 30.289 -4.898 3.659 1202 1HG LYS 152 1HG LYS 152 27.754 -3.276 3.626 1203 2HG LYS 152 2HG LYS 152 27.872 -4.968 3.142 1204 1HD LYS 152 1HD LYS 152 28.648 -3.927 5.865 1205 2HD LYS 152 2HD LYS 152 27.069 -4.615 5.482 1206 1HE LYS 152 1HE LYS 152 28.146 -6.719 4.838 1207 2HE LYS 152 2HE LYS 152 29.722 -6.029 5.226 1208 1HZ LYS 152 1HZ LYS 152 29.030 -5.802 7.522 1209 2HZ LYS 152 2HZ LYS 152 28.873 -7.411 7.025 1210 3HZ LYS 152 3HZ LYS 152 27.501 -6.430 7.158 Start of MODEL 7 1 1H MET 1 1H MET 1 -43.669 0.109 -8.160 2 2H MET 1 2H MET 1 -44.287 -1.034 -9.243 3 3H MET 1 3H MET 1 -44.330 0.610 -9.635 4 HA MET 1 HA MET 1 -41.883 -1.022 -9.288 5 1HB MET 1 1HB MET 1 -43.110 0.148 -11.794 6 2HB MET 1 2HB MET 1 -41.605 -0.758 -11.708 7 1HG MET 1 1HG MET 1 -42.807 -2.743 -11.018 8 2HG MET 1 2HG MET 1 -44.325 -1.845 -11.016 9 1HE MET 1 1HE MET 1 -45.455 -3.654 -12.564 10 2HE MET 1 2HE MET 1 -43.964 -4.594 -12.586 11 3HE MET 1 3HE MET 1 -44.780 -4.201 -14.099 12 H HIS 2 H HIS 2 -40.055 0.222 -10.538 13 HA HIS 2 HA HIS 2 -39.726 2.712 -9.152 14 1HB HIS 2 1HB HIS 2 -37.498 2.750 -10.194 15 2HB HIS 2 2HB HIS 2 -37.832 1.194 -9.442 16 HD1 HIS 2 HD1 HIS 2 -37.780 -0.850 -10.925 17 HD2 HIS 2 HD2 HIS 2 -37.542 2.705 -13.061 18 HE1 HIS 2 HE1 HIS 2 -37.215 -1.520 -13.281 19 HE2 HIS 2 HE2 HIS 2 -37.143 0.644 -14.572 20 H HIS 3 H HIS 3 -39.204 4.744 -10.157 21 HA HIS 3 HA HIS 3 -39.771 5.146 -12.946 22 1HB HIS 3 1HB HIS 3 -42.052 5.019 -11.948 23 2HB HIS 3 2HB HIS 3 -41.643 6.383 -10.914 24 HD1 HIS 3 HD1 HIS 3 -41.765 8.706 -11.935 25 HD2 HIS 3 HD2 HIS 3 -42.357 5.667 -14.707 26 HE1 HIS 3 HE1 HIS 3 -42.566 9.849 -14.027 27 HE2 HIS 3 HE2 HIS 3 -42.837 7.999 -15.716 28 H HIS 4 H HIS 4 -38.699 6.183 -9.868 29 HA HIS 4 HA HIS 4 -37.881 8.801 -10.908 30 1HB HIS 4 1HB HIS 4 -37.445 9.413 -8.587 31 2HB HIS 4 2HB HIS 4 -39.082 8.787 -8.757 32 HD1 HIS 4 HD1 HIS 4 -36.051 8.386 -6.809 33 HD2 HIS 4 HD2 HIS 4 -39.295 5.997 -7.833 34 HE1 HIS 4 HE1 HIS 4 -36.028 6.482 -5.166 35 HE2 HIS 4 HE2 HIS 4 -38.002 5.050 -5.802 36 H HIS 5 H HIS 5 -35.688 9.444 -9.596 37 HA HIS 5 HA HIS 5 -33.695 7.682 -10.740 38 1HB HIS 5 1HB HIS 5 -32.100 9.465 -10.129 39 2HB HIS 5 2HB HIS 5 -33.452 10.081 -11.072 40 HD1 HIS 5 HD1 HIS 5 -35.538 10.639 -8.984 41 HD2 HIS 5 HD2 HIS 5 -31.506 11.450 -8.395 42 HE1 HIS 5 HE1 HIS 5 -35.461 12.404 -7.196 43 HE2 HIS 5 HE2 HIS 5 -33.010 12.843 -6.820 44 H HIS 6 H HIS 6 -32.030 6.669 -9.616 45 HA HIS 6 HA HIS 6 -32.721 5.825 -6.949 46 1HB HIS 6 1HB HIS 6 -30.386 5.122 -8.738 47 2HB HIS 6 2HB HIS 6 -30.692 4.385 -7.170 48 HD1 HIS 6 HD1 HIS 6 -32.435 4.773 -10.527 49 HD2 HIS 6 HD2 HIS 6 -32.262 2.177 -7.286 50 HE1 HIS 6 HE1 HIS 6 -33.846 2.794 -11.174 51 HE2 HIS 6 HE2 HIS 6 -33.644 1.194 -9.239 52 H HIS 7 H HIS 7 -29.608 6.977 -8.255 53 HA HIS 7 HA HIS 7 -28.567 7.701 -5.744 54 1HB HIS 7 1HB HIS 7 -26.827 8.895 -7.041 55 2HB HIS 7 2HB HIS 7 -27.106 7.260 -7.631 56 HD1 HIS 7 HD1 HIS 7 -28.680 7.127 -9.840 57 HD2 HIS 7 HD2 HIS 7 -27.011 10.826 -8.948 58 HE1 HIS 7 HE1 HIS 7 -28.847 8.469 -11.961 59 HE2 HIS 7 HE2 HIS 7 -27.793 10.690 -11.409 60 H LYS 8 H LYS 8 -27.675 10.084 -5.495 61 HA LYS 8 HA LYS 8 -28.147 12.228 -4.925 62 1HB LYS 8 1HB LYS 8 -29.850 11.964 -7.393 63 2HB LYS 8 2HB LYS 8 -29.769 13.462 -6.477 64 1HG LYS 8 1HG LYS 8 -27.383 13.604 -6.864 65 2HG LYS 8 2HG LYS 8 -27.408 12.058 -7.712 66 1HD LYS 8 1HD LYS 8 -27.378 13.834 -9.334 67 2HD LYS 8 2HD LYS 8 -28.959 13.054 -9.376 68 1HE LYS 8 1HE LYS 8 -29.880 14.850 -7.990 69 2HE LYS 8 2HE LYS 8 -28.297 15.629 -7.950 70 1HZ LYS 8 1HZ LYS 8 -28.407 15.911 -10.341 71 2HZ LYS 8 2HZ LYS 8 -29.752 16.627 -9.605 72 3HZ LYS 8 3HZ LYS 8 -29.912 15.139 -10.394 73 H LEU 9 H LEU 9 -29.072 12.285 -2.986 74 HA LEU 9 HA LEU 9 -31.992 12.320 -2.867 75 1HB LEU 9 1HB LEU 9 -30.201 10.558 -1.208 76 2HB LEU 9 2HB LEU 9 -31.824 10.987 -0.700 77 HG LEU 9 HG LEU 9 -31.216 9.586 -3.301 78 1HD1 LEU 9 1HD1 LEU 9 -32.128 7.572 -2.112 79 2HD1 LEU 9 2HD1 LEU 9 -31.946 8.468 -0.602 80 3HD1 LEU 9 3HD1 LEU 9 -30.527 8.094 -1.584 81 1HD2 LEU 9 1HD2 LEU 9 -33.759 10.080 -1.761 82 2HD2 LEU 9 2HD2 LEU 9 -33.630 9.034 -3.175 83 3HD2 LEU 9 3HD2 LEU 9 -33.315 10.763 -3.324 84 H LYS 10 H LYS 10 -29.385 12.318 -0.444 85 HA LYS 10 HA LYS 10 -28.789 13.808 1.166 86 1HB LYS 10 1HB LYS 10 -28.515 15.210 -0.981 87 2HB LYS 10 2HB LYS 10 -30.016 15.991 -0.503 88 1HG LYS 10 1HG LYS 10 -28.222 17.348 0.255 89 2HG LYS 10 2HG LYS 10 -28.930 16.571 1.671 90 1HD LYS 10 1HD LYS 10 -27.145 14.900 1.650 91 2HD LYS 10 2HD LYS 10 -26.443 15.662 0.222 92 1HE LYS 10 1HE LYS 10 -25.245 16.354 2.213 93 2HE LYS 10 2HE LYS 10 -26.102 17.726 1.510 94 1HZ LYS 10 1HZ LYS 10 -27.010 16.121 3.839 95 2HZ LYS 10 2HZ LYS 10 -27.849 17.424 3.161 96 3HZ LYS 10 3HZ LYS 10 -26.352 17.678 3.905 97 H THR 11 H THR 11 -31.756 12.853 0.722 98 HA THR 11 HA THR 11 -33.024 14.753 2.573 99 HB THR 11 HB THR 11 -35.161 13.656 1.942 100 HG1 THR 11 HG1 THR 11 -34.407 11.636 1.270 101 1HG2 THR 11 1HG2 THR 11 -34.416 15.678 0.773 102 2HG2 THR 11 2HG2 THR 11 -35.308 14.608 -0.307 103 3HG2 THR 11 3HG2 THR 11 -33.549 14.682 -0.397 104 H GLU 12 H GLU 12 -33.140 14.207 4.637 105 HA GLU 12 HA GLU 12 -33.089 13.002 6.564 106 1HB GLU 12 1HB GLU 12 -34.572 10.992 4.859 107 2HB GLU 12 2HB GLU 12 -34.479 10.960 6.615 108 1HG GLU 12 1HG GLU 12 -35.678 13.202 5.005 109 2HG GLU 12 2HG GLU 12 -36.597 11.889 5.741 110 H GLN 13 H GLN 13 -30.714 12.901 6.038 111 HA GLN 13 HA GLN 13 -29.849 10.129 6.252 112 1HB GLN 13 1HB GLN 13 -29.729 10.622 3.841 113 2HB GLN 13 2HB GLN 13 -28.708 12.012 4.179 114 1HG GLN 13 1HG GLN 13 -27.352 10.183 3.425 115 2HG GLN 13 2HG GLN 13 -27.008 10.507 5.124 116 1HE2 GLN 13 1HE2 GLN 13 -27.659 9.025 6.685 117 2HE2 GLN 13 2HE2 GLN 13 -28.113 7.407 6.284 118 H GLY 14 H GLY 14 -28.888 13.546 6.178 119 1HA GLY 14 1HA GLY 14 -27.640 13.419 8.715 120 2HA GLY 14 2HA GLY 14 -26.421 13.319 7.454 121 H GLY 15 H GLY 15 -25.707 15.153 6.538 122 1HA GLY 15 1HA GLY 15 -26.762 17.415 5.738 123 2HA GLY 15 2HA GLY 15 -26.911 17.656 7.473 124 H ALA 16 H ALA 16 -25.559 19.564 6.937 125 HA ALA 16 HA ALA 16 -22.730 18.925 6.519 126 1HB ALA 16 1HB ALA 16 -24.116 21.603 6.525 127 2HB ALA 16 2HB ALA 16 -23.702 20.660 5.093 128 3HB ALA 16 3HB ALA 16 -22.425 21.309 6.121 129 H HIS 17 H HIS 17 -21.144 19.427 7.998 130 HA HIS 17 HA HIS 17 -21.992 20.590 10.557 131 1HB HIS 17 1HB HIS 17 -21.854 17.996 10.520 132 2HB HIS 17 2HB HIS 17 -20.111 18.247 10.498 133 HD1 HIS 17 HD1 HIS 17 -19.409 20.105 12.556 134 HD2 HIS 17 HD2 HIS 17 -22.734 17.660 13.038 135 HE1 HIS 17 HE1 HIS 17 -19.846 20.044 15.033 136 HE2 HIS 17 HE2 HIS 17 -21.815 18.495 15.307 137 H PHE 18 H PHE 18 -19.411 19.810 8.308 138 HA PHE 18 HA PHE 18 -17.848 22.028 9.430 139 1HB PHE 18 1HB PHE 18 -16.714 19.361 8.568 140 2HB PHE 18 2HB PHE 18 -15.767 20.757 9.067 141 HD1 PHE 18 HD1 PHE 18 -17.838 17.976 10.166 142 HD2 PHE 18 HD2 PHE 18 -15.731 21.461 11.405 143 HE1 PHE 18 HE1 PHE 18 -17.967 17.218 12.504 144 HE2 PHE 18 HE2 PHE 18 -15.855 20.708 13.744 145 HZ PHE 18 HZ PHE 18 -16.946 18.564 14.291 146 H SER 19 H SER 19 -16.644 19.949 6.915 147 HA SER 19 HA SER 19 -17.181 22.067 4.938 148 1HB SER 19 1HB SER 19 -15.074 21.391 3.827 149 2HB SER 19 2HB SER 19 -14.800 21.953 5.478 150 HG SER 19 HG SER 19 -13.732 20.116 5.547 151 H VAL 20 H VAL 20 -18.740 21.394 3.610 152 HA VAL 20 HA VAL 20 -18.743 18.569 2.773 153 HB VAL 20 HB VAL 20 -21.048 20.524 2.772 154 1HG1 VAL 20 1HG1 VAL 20 -20.941 17.590 2.079 155 2HG1 VAL 20 2HG1 VAL 20 -21.263 18.924 0.971 156 3HG1 VAL 20 3HG1 VAL 20 -22.417 18.539 2.247 157 1HG2 VAL 20 1HG2 VAL 20 -20.433 19.878 5.028 158 2HG2 VAL 20 2HG2 VAL 20 -20.454 18.174 4.569 159 3HG2 VAL 20 3HG2 VAL 20 -21.953 19.106 4.570 160 H SER 21 H SER 21 -18.484 18.075 0.681 161 HA SER 21 HA SER 21 -18.131 20.281 -1.209 162 1HB SER 21 1HB SER 21 -16.992 18.618 -2.628 163 2HB SER 21 2HB SER 21 -16.281 18.679 -1.016 164 HG SER 21 HG SER 21 -16.764 16.656 -0.806 165 H SER 22 H SER 22 -19.370 20.560 -2.988 166 HA SER 22 HA SER 22 -21.942 19.398 -3.068 167 1HB SER 22 1HB SER 22 -21.505 21.650 -3.930 168 2HB SER 22 2HB SER 22 -20.478 20.978 -5.196 169 HG SER 22 HG SER 22 -22.465 19.740 -5.778 170 H LEU 23 H LEU 23 -22.252 17.314 -3.518 171 HA LEU 23 HA LEU 23 -22.178 15.288 -4.553 172 1HB LEU 23 1HB LEU 23 -21.498 16.986 -6.957 173 2HB LEU 23 2HB LEU 23 -22.025 15.314 -7.011 174 HG LEU 23 HG LEU 23 -23.701 17.566 -5.905 175 1HD1 LEU 23 1HD1 LEU 23 -24.951 17.458 -7.987 176 2HD1 LEU 23 2HD1 LEU 23 -23.832 16.245 -8.612 177 3HD1 LEU 23 3HD1 LEU 23 -23.266 17.886 -8.296 178 1HD2 LEU 23 1HD2 LEU 23 -24.299 15.416 -4.996 179 2HD2 LEU 23 2HD2 LEU 23 -24.308 14.699 -6.607 180 3HD2 LEU 23 3HD2 LEU 23 -25.519 15.905 -6.173 181 H ALA 24 H ALA 24 -20.540 14.458 -6.767 182 HA ALA 24 HA ALA 24 -18.314 13.458 -5.485 183 1HB ALA 24 1HB ALA 24 -19.162 12.587 -7.609 184 2HB ALA 24 2HB ALA 24 -17.433 12.923 -7.695 185 3HB ALA 24 3HB ALA 24 -18.585 14.035 -8.434 186 H GLU 25 H GLU 25 -18.530 16.347 -7.533 187 HA GLU 25 HA GLU 25 -17.125 18.105 -7.863 188 1HB GLU 25 1HB GLU 25 -17.835 18.573 -5.574 189 2HB GLU 25 2HB GLU 25 -16.529 17.577 -4.949 190 1HG GLU 25 1HG GLU 25 -15.986 19.928 -4.767 191 2HG GLU 25 2HG GLU 25 -14.892 19.122 -5.890 192 H GLY 26 H GLY 26 -15.703 17.159 -9.342 193 1HA GLY 26 1HA GLY 26 -13.667 16.473 -10.149 194 2HA GLY 26 2HA GLY 26 -12.990 17.269 -8.736 195 H SER 27 H SER 27 -11.830 16.025 -7.445 196 HA SER 27 HA SER 27 -12.530 13.181 -7.199 197 1HB SER 27 1HB SER 27 -10.633 13.411 -8.771 198 2HB SER 27 2HB SER 27 -9.719 14.260 -7.525 199 HG SER 27 HG SER 27 -9.802 11.686 -7.917 200 H VAL 28 H VAL 28 -13.116 15.401 -5.458 201 HA VAL 28 HA VAL 28 -11.293 15.468 -3.282 202 HB VAL 28 HB VAL 28 -12.992 17.226 -3.829 203 1HG1 VAL 28 1HG1 VAL 28 -15.246 17.051 -3.304 204 2HG1 VAL 28 2HG1 VAL 28 -15.005 15.589 -2.350 205 3HG1 VAL 28 3HG1 VAL 28 -14.863 15.528 -4.106 206 1HG2 VAL 28 1HG2 VAL 28 -11.844 17.399 -1.762 207 2HG2 VAL 28 2HG2 VAL 28 -12.869 16.174 -1.019 208 3HG2 VAL 28 3HG2 VAL 28 -13.546 17.743 -1.450 209 H THR 29 H THR 29 -13.792 15.058 -1.412 210 HA THR 29 HA THR 29 -14.492 13.480 0.012 211 HB THR 29 HB THR 29 -15.374 11.455 -0.857 212 HG1 THR 29 HG1 THR 29 -13.593 10.686 -2.027 213 1HG2 THR 29 1HG2 THR 29 -16.384 13.620 -1.626 214 2HG2 THR 29 2HG2 THR 29 -16.718 12.233 -2.664 215 3HG2 THR 29 3HG2 THR 29 -15.500 13.419 -3.139 216 H SER 30 H SER 30 -13.986 10.808 0.373 217 HA SER 30 HA SER 30 -11.063 10.747 0.759 218 1HB SER 30 1HB SER 30 -11.480 9.376 2.774 219 2HB SER 30 2HB SER 30 -12.241 10.961 2.890 220 HG SER 30 HG SER 30 -14.058 9.960 3.144 221 H VAL 31 H VAL 31 -10.151 8.519 0.937 222 HA VAL 31 HA VAL 31 -11.305 6.844 -1.168 223 HB VAL 31 HB VAL 31 -8.606 6.535 0.140 224 1HG1 VAL 31 1HG1 VAL 31 -8.121 5.372 -2.039 225 2HG1 VAL 31 2HG1 VAL 31 -9.853 5.442 -2.368 226 3HG1 VAL 31 3HG1 VAL 31 -9.255 4.545 -0.971 227 1HG2 VAL 31 1HG2 VAL 31 -8.740 8.751 -0.847 228 2HG2 VAL 31 2HG2 VAL 31 -9.337 8.064 -2.358 229 3HG2 VAL 31 3HG2 VAL 31 -7.694 7.714 -1.818 230 H GLY 32 H GLY 32 -12.982 5.889 0.058 231 1HA GLY 32 1HA GLY 32 -13.934 4.299 1.410 232 2HA GLY 32 2HA GLY 32 -12.447 3.399 1.150 233 H SER 33 H SER 33 -12.567 2.555 3.258 234 HA SER 33 HA SER 33 -11.839 4.489 5.358 235 1HB SER 33 1HB SER 33 -12.949 3.004 6.990 236 2HB SER 33 2HB SER 33 -14.082 3.596 5.774 237 HG SER 33 HG SER 33 -13.352 1.053 6.351 238 H VAL 34 H VAL 34 -10.669 3.396 7.211 239 HA VAL 34 HA VAL 34 -8.614 2.583 7.811 240 HB VAL 34 HB VAL 34 -8.523 0.162 7.912 241 1HG1 VAL 34 1HG1 VAL 34 -11.332 1.171 8.342 242 2HG1 VAL 34 2HG1 VAL 34 -9.988 1.342 9.471 243 3HG1 VAL 34 3HG1 VAL 34 -10.615 -0.259 9.084 244 1HG2 VAL 34 1HG2 VAL 34 -10.193 -1.250 6.835 245 2HG2 VAL 34 2HG2 VAL 34 -9.270 -0.346 5.635 246 3HG2 VAL 34 3HG2 VAL 34 -10.903 0.163 6.057 247 H ASN 35 H ASN 35 -7.310 0.222 6.662 248 HA ASN 35 HA ASN 35 -5.404 1.328 5.055 249 1HB ASN 35 1HB ASN 35 -5.534 -1.024 6.074 250 2HB ASN 35 2HB ASN 35 -6.338 -1.490 4.583 251 1HD2 ASN 35 1HD2 ASN 35 -4.697 -2.852 3.944 252 2HD2 ASN 35 2HD2 ASN 35 -3.158 -2.275 3.410 253 HA PRO 36 HA PRO 36 -7.679 2.086 1.294 254 1HB PRO 36 1HB PRO 36 -5.631 3.076 -0.177 255 2HB PRO 36 2HB PRO 36 -6.418 4.023 1.094 256 1HG PRO 36 1HG PRO 36 -3.866 2.456 1.196 257 2HG PRO 36 2HG PRO 36 -4.203 4.087 1.814 258 1HD PRO 36 1HD PRO 36 -4.186 1.904 3.416 259 2HD PRO 36 2HD PRO 36 -5.253 3.292 3.709 260 H ALA 37 H ALA 37 -4.699 0.362 1.592 261 HA ALA 37 HA ALA 37 -4.580 -0.804 -0.963 262 1HB ALA 37 1HB ALA 37 -3.403 -1.795 1.617 263 2HB ALA 37 2HB ALA 37 -2.686 -0.565 0.578 264 3HB ALA 37 3HB ALA 37 -2.879 -2.216 -0.015 265 H GLU 38 H GLU 38 -6.539 -1.546 1.770 266 HA GLU 38 HA GLU 38 -6.835 -4.324 1.371 267 1HB GLU 38 1HB GLU 38 -8.398 -4.273 3.041 268 2HB GLU 38 2HB GLU 38 -7.525 -2.788 3.378 269 1HG GLU 38 1HG GLU 38 -9.565 -1.882 3.469 270 2HG GLU 38 2HG GLU 38 -9.443 -1.868 1.710 271 H ASN 39 H ASN 39 -8.543 -1.554 -0.007 272 HA ASN 39 HA ASN 39 -10.695 -2.910 -1.172 273 1HB ASN 39 1HB ASN 39 -9.201 -0.465 -2.153 274 2HB ASN 39 2HB ASN 39 -10.742 -1.015 -2.803 275 1HD2 ASN 39 1HD2 ASN 39 -9.119 0.387 -0.065 276 2HD2 ASN 39 2HD2 ASN 39 -10.540 0.950 0.743 277 H PHE 40 H PHE 40 -7.416 -2.353 -2.344 278 HA PHE 40 HA PHE 40 -7.796 -3.593 -4.874 279 1HB PHE 40 1HB PHE 40 -5.206 -3.355 -3.346 280 2HB PHE 40 2HB PHE 40 -5.420 -3.460 -5.099 281 HD1 PHE 40 HD1 PHE 40 -6.296 -1.634 -6.336 282 HD2 PHE 40 HD2 PHE 40 -5.567 -1.364 -2.180 283 HE1 PHE 40 HE1 PHE 40 -6.586 0.810 -6.461 284 HE2 PHE 40 HE2 PHE 40 -5.832 1.075 -2.269 285 HZ PHE 40 HZ PHE 40 -6.351 2.183 -4.419 286 H ARG 41 H ARG 41 -6.662 -4.604 -1.724 287 HA ARG 41 HA ARG 41 -5.967 -7.204 -2.381 288 1HB ARG 41 1HB ARG 41 -6.957 -5.911 0.128 289 2HB ARG 41 2HB ARG 41 -6.722 -7.655 0.062 290 1HG ARG 41 1HG ARG 41 -4.408 -7.426 -0.264 291 2HG ARG 41 2HG ARG 41 -4.554 -5.708 -0.653 292 1HD ARG 41 1HD ARG 41 -4.942 -5.107 1.543 293 2HD ARG 41 2HD ARG 41 -5.476 -6.733 1.988 294 HE ARG 41 HE ARG 41 -2.737 -6.730 1.235 295 1HH1 ARG 41 1HH1 ARG 41 -4.891 -5.840 3.827 296 2HH1 ARG 41 2HH1 ARG 41 -3.702 -6.063 5.066 297 1HH2 ARG 41 1HH2 ARG 41 -1.166 -7.034 2.865 298 2HH2 ARG 41 2HH2 ARG 41 -1.585 -6.742 4.520 299 H VAL 42 H VAL 42 -8.995 -5.611 -1.991 300 HA VAL 42 HA VAL 42 -10.617 -7.942 -1.779 301 HB VAL 42 HB VAL 42 -11.229 -5.063 -2.423 302 1HG1 VAL 42 1HG1 VAL 42 -13.606 -5.621 -2.495 303 2HG1 VAL 42 2HG1 VAL 42 -13.207 -7.337 -2.397 304 3HG1 VAL 42 3HG1 VAL 42 -12.727 -6.399 -3.812 305 1HG2 VAL 42 1HG2 VAL 42 -12.075 -6.886 -0.179 306 2HG2 VAL 42 2HG2 VAL 42 -12.484 -5.177 -0.339 307 3HG2 VAL 42 3HG2 VAL 42 -10.806 -5.663 -0.093 308 H LEU 43 H LEU 43 -9.960 -5.683 -4.500 309 HA LEU 43 HA LEU 43 -11.323 -7.116 -6.449 310 1HB LEU 43 1HB LEU 43 -8.812 -5.473 -6.739 311 2HB LEU 43 2HB LEU 43 -9.717 -6.116 -8.099 312 HG LEU 43 HG LEU 43 -11.622 -4.737 -6.615 313 1HD1 LEU 43 1HD1 LEU 43 -10.413 -3.403 -5.294 314 2HD1 LEU 43 2HD1 LEU 43 -10.178 -2.464 -6.774 315 3HD1 LEU 43 3HD1 LEU 43 -8.944 -3.615 -6.250 316 1HD2 LEU 43 1HD2 LEU 43 -11.342 -4.861 -9.090 317 2HD2 LEU 43 2HD2 LEU 43 -10.036 -3.685 -8.954 318 3HD2 LEU 43 3HD2 LEU 43 -11.677 -3.239 -8.487 319 H VAL 44 H VAL 44 -8.034 -7.580 -5.228 320 HA VAL 44 HA VAL 44 -7.363 -9.552 -7.163 321 HB VAL 44 HB VAL 44 -5.398 -10.030 -5.852 322 1HG1 VAL 44 1HG1 VAL 44 -5.618 -7.847 -7.148 323 2HG1 VAL 44 2HG1 VAL 44 -4.324 -7.958 -5.954 324 3HG1 VAL 44 3HG1 VAL 44 -5.800 -7.063 -5.576 325 1HG2 VAL 44 1HG2 VAL 44 -4.997 -9.101 -3.661 326 2HG2 VAL 44 2HG2 VAL 44 -6.481 -10.052 -3.641 327 3HG2 VAL 44 3HG2 VAL 44 -6.565 -8.293 -3.689 328 H LYS 45 H LYS 45 -8.678 -9.660 -3.881 329 HA LYS 45 HA LYS 45 -8.658 -12.561 -3.865 330 1HB LYS 45 1HB LYS 45 -9.239 -12.445 -1.608 331 2HB LYS 45 2HB LYS 45 -8.256 -11.004 -1.835 332 1HG LYS 45 1HG LYS 45 -10.239 -9.630 -1.954 333 2HG LYS 45 2HG LYS 45 -11.268 -11.056 -1.849 334 1HD LYS 45 1HD LYS 45 -11.168 -10.032 0.319 335 2HD LYS 45 2HD LYS 45 -10.263 -11.546 0.372 336 1HE LYS 45 1HE LYS 45 -8.173 -10.293 0.097 337 2HE LYS 45 2HE LYS 45 -9.086 -8.785 0.067 338 1HZ LYS 45 1HZ LYS 45 -8.932 -10.687 2.344 339 2HZ LYS 45 2HZ LYS 45 -9.856 -9.272 2.321 340 3HZ LYS 45 3HZ LYS 45 -8.169 -9.180 2.251 341 H GLN 46 H GLN 46 -10.637 -10.276 -5.213 342 HA GLN 46 HA GLN 46 -13.028 -11.972 -4.917 343 1HB GLN 46 1HB GLN 46 -12.848 -9.025 -5.561 344 2HB GLN 46 2HB GLN 46 -14.339 -9.957 -5.570 345 1HG GLN 46 1HG GLN 46 -12.564 -9.466 -3.199 346 2HG GLN 46 2HG GLN 46 -14.104 -8.678 -3.520 347 1HE2 GLN 46 1HE2 GLN 46 -12.538 -11.625 -2.550 348 2HE2 GLN 46 2HE2 GLN 46 -13.950 -12.420 -1.953 349 H LYS 47 H LYS 47 -14.553 -11.165 -6.968 350 HA LYS 47 HA LYS 47 -13.243 -12.349 -9.248 351 1HB LYS 47 1HB LYS 47 -15.449 -12.184 -10.309 352 2HB LYS 47 2HB LYS 47 -15.575 -12.900 -8.706 353 1HG LYS 47 1HG LYS 47 -16.195 -10.620 -7.850 354 2HG LYS 47 2HG LYS 47 -16.307 -10.106 -9.535 355 1HD LYS 47 1HD LYS 47 -18.002 -11.823 -9.945 356 2HD LYS 47 2HD LYS 47 -17.886 -12.344 -8.264 357 1HE LYS 47 1HE LYS 47 -18.586 -10.075 -7.560 358 2HE LYS 47 2HE LYS 47 -18.796 -9.644 -9.257 359 1HZ LYS 47 1HZ LYS 47 -20.270 -11.782 -7.814 360 2HZ LYS 47 2HZ LYS 47 -20.469 -11.383 -9.446 361 3HZ LYS 47 3HZ LYS 47 -20.892 -10.270 -8.245 362 H LYS 48 H LYS 48 -13.319 -9.330 -7.979 363 HA LYS 48 HA LYS 48 -13.779 -7.630 -10.167 364 1HB LYS 48 1HB LYS 48 -12.778 -7.428 -7.460 365 2HB LYS 48 2HB LYS 48 -11.904 -6.364 -8.547 366 1HG LYS 48 1HG LYS 48 -13.642 -5.054 -7.752 367 2HG LYS 48 2HG LYS 48 -14.212 -5.586 -9.337 368 1HD LYS 48 1HD LYS 48 -16.029 -5.837 -7.827 369 2HD LYS 48 2HD LYS 48 -15.404 -7.458 -8.153 370 1HE LYS 48 1HE LYS 48 -14.208 -7.469 -6.064 371 2HE LYS 48 2HE LYS 48 -14.647 -5.788 -5.757 372 1HZ LYS 48 1HZ LYS 48 -16.962 -6.452 -5.610 373 2HZ LYS 48 2HZ LYS 48 -16.033 -7.328 -4.502 374 3HZ LYS 48 3HZ LYS 48 -16.555 -8.062 -5.932 375 H ALA 49 H ALA 49 -11.438 -6.015 -10.086 376 HA ALA 49 HA ALA 49 -10.007 -6.729 -12.282 377 1HB ALA 49 1HB ALA 49 -8.302 -5.196 -11.566 378 2HB ALA 49 2HB ALA 49 -8.879 -5.281 -9.903 379 3HB ALA 49 3HB ALA 49 -9.889 -4.548 -11.153 380 H SER 50 H SER 50 -7.813 -7.451 -12.580 381 HA SER 50 HA SER 50 -7.230 -9.823 -11.067 382 1HB SER 50 1HB SER 50 -5.199 -9.883 -12.632 383 2HB SER 50 2HB SER 50 -6.788 -10.000 -13.393 384 HG SER 50 HG SER 50 -5.496 -7.514 -13.061 385 H PHE 51 H PHE 51 -4.833 -10.154 -10.401 386 HA PHE 51 HA PHE 51 -4.262 -8.370 -8.316 387 1HB PHE 51 1HB PHE 51 -3.503 -10.768 -8.481 388 2HB PHE 51 2HB PHE 51 -2.276 -10.233 -9.630 389 HD1 PHE 51 HD1 PHE 51 -0.325 -9.077 -8.902 390 HD2 PHE 51 HD2 PHE 51 -3.396 -10.061 -6.130 391 HE1 PHE 51 HE1 PHE 51 1.196 -8.569 -7.043 392 HE2 PHE 51 HE2 PHE 51 -1.880 -9.549 -4.263 393 HZ PHE 51 HZ PHE 51 0.380 -8.735 -4.706 394 H GLU 52 H GLU 52 -3.718 -8.035 -11.639 395 HA GLU 52 HA GLU 52 -1.387 -6.350 -11.338 396 1HB GLU 52 1HB GLU 52 -1.150 -6.438 -13.634 397 2HB GLU 52 2HB GLU 52 -1.940 -7.968 -13.288 398 1HG GLU 52 1HG GLU 52 -4.095 -6.980 -13.929 399 2HG GLU 52 2HG GLU 52 -3.266 -5.479 -14.332 400 H GLU 53 H GLU 53 -4.757 -5.854 -12.428 401 HA GLU 53 HA GLU 53 -4.474 -3.043 -12.727 402 1HB GLU 53 1HB GLU 53 -7.170 -3.858 -12.018 403 2HB GLU 53 2HB GLU 53 -6.584 -3.139 -13.510 404 1HG GLU 53 1HG GLU 53 -5.648 -5.463 -13.978 405 2HG GLU 53 2HG GLU 53 -6.787 -5.990 -12.735 406 H ALA 54 H ALA 54 -5.432 -5.169 -10.151 407 HA ALA 54 HA ALA 54 -6.420 -3.262 -8.353 408 1HB ALA 54 1HB ALA 54 -5.027 -5.792 -7.549 409 2HB ALA 54 2HB ALA 54 -6.630 -5.794 -8.282 410 3HB ALA 54 3HB ALA 54 -6.365 -4.965 -6.744 411 H SER 55 H SER 55 -3.148 -4.718 -8.640 412 HA SER 55 HA SER 55 -2.092 -3.108 -6.548 413 1HB SER 55 1HB SER 55 -0.377 -4.125 -8.804 414 2HB SER 55 2HB SER 55 0.021 -3.980 -7.094 415 HG SER 55 HG SER 55 -2.070 -5.666 -7.587 416 H ASN 56 H ASN 56 -2.285 -2.822 -10.033 417 HA ASN 56 HA ASN 56 -0.731 -0.540 -10.382 418 1HB ASN 56 1HB ASN 56 -2.921 -1.886 -11.888 419 2HB ASN 56 2HB ASN 56 -2.551 -0.227 -12.345 420 1HD2 ASN 56 1HD2 ASN 56 -2.202 -2.711 -13.832 421 2HD2 ASN 56 2HD2 ASN 56 -0.525 -2.796 -14.239 422 H GLN 57 H GLN 57 -4.101 -0.947 -9.536 423 HA GLN 57 HA GLN 57 -4.706 1.847 -9.502 424 1HB GLN 57 1HB GLN 57 -6.275 -0.262 -9.722 425 2HB GLN 57 2HB GLN 57 -6.267 -0.209 -7.966 426 1HG GLN 57 1HG GLN 57 -6.825 2.390 -8.647 427 2HG GLN 57 2HG GLN 57 -7.662 1.460 -9.888 428 1HE2 GLN 57 1HE2 GLN 57 -8.719 3.074 -7.689 429 2HE2 GLN 57 2HE2 GLN 57 -9.740 2.016 -6.782 430 H LEU 58 H LEU 58 -3.411 -0.495 -7.274 431 HA LEU 58 HA LEU 58 -3.852 0.966 -4.872 432 1HB LEU 58 1HB LEU 58 -3.113 -1.550 -5.288 433 2HB LEU 58 2HB LEU 58 -1.504 -0.868 -5.184 434 HG LEU 58 HG LEU 58 -3.516 -1.320 -3.042 435 1HD1 LEU 58 1HD1 LEU 58 -1.689 -2.079 -1.814 436 2HD1 LEU 58 2HD1 LEU 58 -0.530 -1.253 -2.860 437 3HD1 LEU 58 3HD1 LEU 58 -1.419 -2.654 -3.461 438 1HD2 LEU 58 1HD2 LEU 58 -2.490 0.358 -1.571 439 2HD2 LEU 58 2HD2 LEU 58 -3.331 1.102 -2.933 440 3HD2 LEU 58 3HD2 LEU 58 -1.571 0.986 -2.942 441 H ILE 59 H ILE 59 -0.910 0.495 -6.847 442 HA ILE 59 HA ILE 59 0.627 2.367 -5.401 443 HB ILE 59 HB ILE 59 1.007 1.743 -8.340 444 1HG1 ILE 59 1HG1 ILE 59 2.419 0.092 -6.329 445 2HG1 ILE 59 2HG1 ILE 59 0.699 -0.236 -6.516 446 1HG2 ILE 59 1HG2 ILE 59 3.380 2.033 -7.779 447 2HG2 ILE 59 2HG2 ILE 59 2.925 2.424 -6.121 448 3HG2 ILE 59 3HG2 ILE 59 2.427 3.479 -7.444 449 1HD1 ILE 59 1HD1 ILE 59 2.015 -1.691 -7.929 450 2HD1 ILE 59 2HD1 ILE 59 2.766 -0.294 -8.701 451 3HD1 ILE 59 3HD1 ILE 59 1.040 -0.599 -8.911 452 H ASN 60 H ASN 60 -1.516 2.584 -8.216 453 HA ASN 60 HA ASN 60 -0.983 5.191 -9.054 454 1HB ASN 60 1HB ASN 60 -3.286 3.332 -9.278 455 2HB ASN 60 2HB ASN 60 -3.595 5.027 -9.631 456 1HD2 ASN 60 1HD2 ASN 60 -3.649 2.718 -11.397 457 2HD2 ASN 60 2HD2 ASN 60 -2.514 3.046 -12.657 458 H HIS 61 H HIS 61 -3.362 3.999 -6.706 459 HA HIS 61 HA HIS 61 -4.385 6.509 -5.959 460 1HB HIS 61 1HB HIS 61 -5.768 5.054 -4.955 461 2HB HIS 61 2HB HIS 61 -4.584 3.758 -5.110 462 HD1 HIS 61 HD1 HIS 61 -2.825 3.575 -3.155 463 HD2 HIS 61 HD2 HIS 61 -6.120 5.979 -2.417 464 HE1 HIS 61 HE1 HIS 61 -2.887 3.872 -0.683 465 HE2 HIS 61 HE2 HIS 61 -4.958 5.237 -0.230 466 H ILE 62 H ILE 62 -1.638 4.627 -4.961 467 HA ILE 62 HA ILE 62 -0.793 6.259 -2.799 468 HB ILE 62 HB ILE 62 0.738 4.347 -4.565 469 1HG1 ILE 62 1HG1 ILE 62 -1.115 3.414 -3.172 470 2HG1 ILE 62 2HG1 ILE 62 0.471 2.767 -2.783 471 1HG2 ILE 62 1HG2 ILE 62 2.435 4.368 -2.759 472 2HG2 ILE 62 2HG2 ILE 62 1.584 5.733 -2.034 473 3HG2 ILE 62 3HG2 ILE 62 2.305 5.892 -3.637 474 1HD1 ILE 62 1HD1 ILE 62 -0.939 3.241 -0.810 475 2HD1 ILE 62 2HD1 ILE 62 -0.907 4.951 -1.242 476 3HD1 ILE 62 3HD1 ILE 62 0.590 4.125 -0.807 477 H GLU 63 H GLU 63 -0.534 6.459 -6.251 478 HA GLU 63 HA GLU 63 1.636 8.324 -6.304 479 1HB GLU 63 1HB GLU 63 -0.430 7.528 -8.358 480 2HB GLU 63 2HB GLU 63 0.790 8.754 -8.669 481 1HG GLU 63 1HG GLU 63 2.553 7.172 -8.379 482 2HG GLU 63 2HG GLU 63 1.420 5.937 -7.835 483 H GLN 64 H GLN 64 -1.900 8.537 -6.449 484 HA GLN 64 HA GLN 64 -2.142 11.307 -6.726 485 1HB GLN 64 1HB GLN 64 -3.966 9.411 -6.619 486 2HB GLN 64 2HB GLN 64 -3.974 9.775 -4.900 487 1HG GLN 64 1HG GLN 64 -4.540 11.725 -7.121 488 2HG GLN 64 2HG GLN 64 -5.736 10.966 -6.075 489 1HE2 GLN 64 1HE2 GLN 64 -5.885 11.612 -3.917 490 2HE2 GLN 64 2HE2 GLN 64 -5.203 13.099 -3.361 491 H PHE 65 H PHE 65 -1.964 9.288 -3.803 492 HA PHE 65 HA PHE 65 -1.869 11.380 -1.946 493 1HB PHE 65 1HB PHE 65 -1.917 9.575 -0.602 494 2HB PHE 65 2HB PHE 65 -1.394 8.524 -1.915 495 HD1 PHE 65 HD1 PHE 65 0.578 7.392 -1.655 496 HD2 PHE 65 HD2 PHE 65 0.014 11.089 0.373 497 HE1 PHE 65 HE1 PHE 65 2.730 7.087 -0.499 498 HE2 PHE 65 HE2 PHE 65 2.156 10.790 1.526 499 HZ PHE 65 HZ PHE 65 3.640 8.887 0.867 500 H LEU 66 H LEU 66 0.798 9.593 -3.522 501 HA LEU 66 HA LEU 66 2.887 11.052 -2.412 502 1HB LEU 66 1HB LEU 66 2.621 9.457 -4.934 503 2HB LEU 66 2HB LEU 66 4.087 10.390 -4.642 504 HG LEU 66 HG LEU 66 2.996 8.232 -2.825 505 1HD1 LEU 66 1HD1 LEU 66 5.425 8.169 -4.601 506 2HD1 LEU 66 2HD1 LEU 66 3.888 7.388 -4.969 507 3HD1 LEU 66 3HD1 LEU 66 4.827 6.868 -3.569 508 1HD2 LEU 66 1HD2 LEU 66 4.252 10.064 -1.680 509 2HD2 LEU 66 2HD2 LEU 66 5.647 9.663 -2.682 510 3HD2 LEU 66 3HD2 LEU 66 5.008 8.475 -1.543 511 H ASP 67 H ASP 67 0.553 11.966 -4.723 512 HA ASP 67 HA ASP 67 2.084 14.121 -5.848 513 1HB ASP 67 1HB ASP 67 0.149 13.075 -7.049 514 2HB ASP 67 2HB ASP 67 -0.924 13.767 -5.838 515 H THR 68 H THR 68 -0.330 13.678 -3.291 516 HA THR 68 HA THR 68 -0.503 16.401 -2.534 517 HB THR 68 HB THR 68 -2.008 14.405 -1.761 518 HG1 THR 68 HG1 THR 68 -2.739 16.195 -0.892 519 1HG2 THR 68 1HG2 THR 68 0.323 14.151 0.052 520 2HG2 THR 68 2HG2 THR 68 -0.806 12.926 -0.524 521 3HG2 THR 68 3HG2 THR 68 -1.280 14.022 0.770 522 H ASN 69 H ASN 69 0.124 16.793 0.011 523 HA ASN 69 HA ASN 69 3.040 16.354 0.104 524 1HB ASN 69 1HB ASN 69 1.336 18.668 1.019 525 2HB ASN 69 2HB ASN 69 3.019 18.476 1.521 526 1HD2 ASN 69 1HD2 ASN 69 3.645 20.366 0.500 527 2HD2 ASN 69 2HD2 ASN 69 3.764 20.496 -1.219 528 H GLU 70 H GLU 70 0.354 15.183 1.432 529 HA GLU 70 HA GLU 70 0.996 15.317 4.236 530 1HB GLU 70 1HB GLU 70 -0.914 13.376 2.950 531 2HB GLU 70 2HB GLU 70 -0.968 14.043 4.576 532 1HG GLU 70 1HG GLU 70 -1.212 15.865 2.230 533 2HG GLU 70 2HG GLU 70 -2.600 14.905 2.736 534 H THR 71 H THR 71 2.189 13.889 5.417 535 HA THR 71 HA THR 71 3.292 11.611 3.955 536 HB THR 71 HB THR 71 4.940 11.441 5.836 537 HG1 THR 71 HG1 THR 71 4.866 12.883 7.408 538 1HG2 THR 71 1HG2 THR 71 6.326 13.263 4.966 539 2HG2 THR 71 2HG2 THR 71 4.905 13.992 4.213 540 3HG2 THR 71 3HG2 THR 71 5.484 12.417 3.664 541 HA PRO 72 HA PRO 72 1.366 9.824 8.152 542 1HB PRO 72 1HB PRO 72 -1.350 10.578 7.186 543 2HB PRO 72 2HB PRO 72 -0.757 10.410 8.841 544 1HG PRO 72 1HG PRO 72 -1.159 12.812 7.752 545 2HG PRO 72 2HG PRO 72 0.192 12.502 8.861 546 1HD PRO 72 1HD PRO 72 0.209 12.867 5.909 547 2HD PRO 72 2HD PRO 72 1.452 13.279 7.107 548 H TYR 73 H TYR 73 0.414 10.342 4.904 549 HA TYR 73 HA TYR 73 -0.617 7.680 4.442 550 1HB TYR 73 1HB TYR 73 -0.117 9.930 2.486 551 2HB TYR 73 2HB TYR 73 -1.106 8.505 2.201 552 HD1 TYR 73 HD1 TYR 73 -2.062 11.290 1.783 553 HD2 TYR 73 HD2 TYR 73 -2.198 8.825 5.247 554 HE1 TYR 73 HE1 TYR 73 -4.030 12.529 2.581 555 HE2 TYR 73 HE2 TYR 73 -4.168 10.054 6.051 556 HH TYR 73 HH TYR 73 -5.209 12.267 5.745 557 H PHE 74 H PHE 74 2.445 9.296 4.256 558 HA PHE 74 HA PHE 74 3.498 7.608 2.213 559 1HB PHE 74 1HB PHE 74 5.410 8.836 2.251 560 2HB PHE 74 2HB PHE 74 4.283 9.990 2.900 561 HD1 PHE 74 HD1 PHE 74 7.325 10.178 3.098 562 HD2 PHE 74 HD2 PHE 74 4.389 8.509 5.674 563 HE1 PHE 74 HE1 PHE 74 8.823 10.497 5.017 564 HE2 PHE 74 HE2 PHE 74 5.882 8.833 7.596 565 HZ PHE 74 HZ PHE 74 8.261 10.151 7.067 566 H MET 75 H MET 75 3.417 7.459 5.703 567 HA MET 75 HA MET 75 5.106 5.126 5.845 568 1HB MET 75 1HB MET 75 2.946 5.961 7.810 569 2HB MET 75 2HB MET 75 4.332 4.933 8.143 570 1HG MET 75 1HG MET 75 5.760 6.953 7.679 571 2HG MET 75 2HG MET 75 4.259 7.885 7.662 572 1HE MET 75 1HE MET 75 6.652 8.614 9.608 573 2HE MET 75 2HE MET 75 5.787 8.894 11.120 574 3HE MET 75 3HE MET 75 5.114 9.478 9.599 575 H LYS 76 H LYS 76 1.713 5.941 5.764 576 HA LYS 76 HA LYS 76 0.640 3.357 5.845 577 1HB LYS 76 1HB LYS 76 -0.722 5.329 6.250 578 2HB LYS 76 2HB LYS 76 -0.413 5.909 4.623 579 1HG LYS 76 1HG LYS 76 -1.498 3.364 4.295 580 2HG LYS 76 2HG LYS 76 -2.441 4.121 5.578 581 1HD LYS 76 1HD LYS 76 -3.362 4.535 3.322 582 2HD LYS 76 2HD LYS 76 -2.927 6.015 4.172 583 1HE LYS 76 1HE LYS 76 -1.014 6.340 2.865 584 2HE LYS 76 2HE LYS 76 -1.028 4.678 2.271 585 1HZ LYS 76 1HZ LYS 76 -3.026 6.775 1.596 586 2HZ LYS 76 2HZ LYS 76 -3.035 5.186 1.018 587 3HZ LYS 76 3HZ LYS 76 -1.783 6.236 0.582 588 H SER 77 H SER 77 2.113 5.279 3.354 589 HA SER 77 HA SER 77 1.233 3.786 1.104 590 1HB SER 77 1HB SER 77 2.712 5.037 -0.150 591 2HB SER 77 2HB SER 77 2.585 6.089 1.258 592 HG SER 77 HG SER 77 4.765 5.621 0.560 593 H ILE 78 H ILE 78 4.150 3.738 3.124 594 HA ILE 78 HA ILE 78 5.418 1.536 2.028 595 HB ILE 78 HB ILE 78 5.807 3.098 4.299 596 1HG1 ILE 78 1HG1 ILE 78 7.915 1.780 4.515 597 2HG1 ILE 78 2HG1 ILE 78 7.273 0.657 3.317 598 1HG2 ILE 78 1HG2 ILE 78 6.068 1.626 6.171 599 2HG2 ILE 78 2HG2 ILE 78 5.615 0.225 5.198 600 3HG2 ILE 78 3HG2 ILE 78 4.414 1.460 5.574 601 1HD1 ILE 78 1HD1 ILE 78 8.839 2.663 2.666 602 2HD1 ILE 78 2HD1 ILE 78 7.293 3.528 2.640 603 3HD1 ILE 78 3HD1 ILE 78 7.535 2.102 1.615 604 H ASP 79 H ASP 79 2.728 1.770 4.246 605 HA ASP 79 HA ASP 79 2.499 -0.975 4.845 606 1HB ASP 79 1HB ASP 79 0.813 1.439 5.178 607 2HB ASP 79 2HB ASP 79 -0.020 -0.106 5.243 608 H CYS 80 H CYS 80 1.129 1.047 2.270 609 HA CYS 80 HA CYS 80 -0.636 -0.904 1.236 610 1HB CYS 80 1HB CYS 80 -0.993 0.532 -0.526 611 2HB CYS 80 2HB CYS 80 -0.284 1.668 0.614 612 HG CYS 80 HG CYS 80 2.366 0.954 -0.620 613 H ILE 81 H ILE 81 2.691 -0.020 0.497 614 HA ILE 81 HA ILE 81 3.268 -1.834 -1.509 615 HB ILE 81 HB ILE 81 4.900 -0.618 0.710 616 1HG1 ILE 81 1HG1 ILE 81 6.139 -0.129 -1.710 617 2HG1 ILE 81 2HG1 ILE 81 4.427 -0.128 -2.126 618 1HG2 ILE 81 1HG2 ILE 81 6.915 -1.687 -0.526 619 2HG2 ILE 81 2HG2 ILE 81 5.731 -2.896 -1.022 620 3HG2 ILE 81 3HG2 ILE 81 6.033 -2.608 0.690 621 1HD1 ILE 81 1HD1 ILE 81 5.474 2.088 -1.468 622 2HD1 ILE 81 2HD1 ILE 81 5.494 1.457 0.181 623 3HD1 ILE 81 3HD1 ILE 81 3.964 1.642 -0.674 624 H ARG 82 H ARG 82 3.239 -2.052 1.974 625 HA ARG 82 HA ARG 82 4.107 -4.705 2.336 626 1HB ARG 82 1HB ARG 82 3.002 -2.533 3.920 627 2HB ARG 82 2HB ARG 82 2.399 -4.096 4.451 628 1HG ARG 82 1HG ARG 82 4.236 -3.988 5.736 629 2HG ARG 82 2HG ARG 82 4.985 -4.681 4.298 630 1HD ARG 82 1HD ARG 82 5.857 -2.582 3.635 631 2HD ARG 82 2HD ARG 82 4.864 -1.712 4.800 632 HE ARG 82 HE ARG 82 6.423 -3.467 6.263 633 1HH1 ARG 82 1HH1 ARG 82 6.960 -0.772 4.131 634 2HH1 ARG 82 2HH1 ARG 82 8.428 -0.287 4.912 635 1HH2 ARG 82 1HH2 ARG 82 8.347 -2.840 7.293 636 2HH2 ARG 82 2HH2 ARG 82 9.218 -1.461 6.707 637 H ALA 83 H ALA 83 1.014 -3.279 1.609 638 HA ALA 83 HA ALA 83 -0.614 -5.470 2.304 639 1HB ALA 83 1HB ALA 83 -1.502 -3.215 1.928 640 2HB ALA 83 2HB ALA 83 -2.333 -4.422 0.946 641 3HB ALA 83 3HB ALA 83 -1.135 -3.360 0.209 642 H PHE 84 H PHE 84 0.721 -4.451 -0.844 643 HA PHE 84 HA PHE 84 -0.215 -6.968 -1.956 644 1HB PHE 84 1HB PHE 84 0.583 -4.378 -3.103 645 2HB PHE 84 2HB PHE 84 0.878 -5.813 -4.093 646 HD1 PHE 84 HD1 PHE 84 -1.816 -4.707 -1.777 647 HD2 PHE 84 HD2 PHE 84 -0.778 -6.194 -5.616 648 HE1 PHE 84 HE1 PHE 84 -4.192 -4.722 -2.407 649 HE2 PHE 84 HE2 PHE 84 -3.149 -6.218 -6.258 650 HZ PHE 84 HZ PHE 84 -4.871 -5.641 -4.591 651 H ARG 85 H ARG 85 2.766 -5.784 -0.738 652 HA ARG 85 HA ARG 85 4.451 -7.378 -2.383 653 1HB ARG 85 1HB ARG 85 6.196 -6.948 -0.833 654 2HB ARG 85 2HB ARG 85 5.220 -5.490 -0.865 655 1HG ARG 85 1HG ARG 85 4.160 -6.127 1.220 656 2HG ARG 85 2HG ARG 85 5.072 -7.637 1.240 657 1HD ARG 85 1HD ARG 85 6.318 -4.892 1.249 658 2HD ARG 85 2HD ARG 85 6.030 -5.858 2.698 659 HE ARG 85 HE ARG 85 7.563 -7.223 0.686 660 1HH1 ARG 85 1HH1 ARG 85 7.704 -5.039 3.400 661 2HH1 ARG 85 2HH1 ARG 85 9.359 -5.393 3.763 662 1HH2 ARG 85 1HH2 ARG 85 9.744 -7.692 1.156 663 2HH2 ARG 85 2HH2 ARG 85 10.521 -6.900 2.487 664 H GLU 86 H GLU 86 2.713 -7.851 0.613 665 HA GLU 86 HA GLU 86 3.647 -10.530 1.025 666 1HB GLU 86 1HB GLU 86 2.162 -10.562 2.921 667 2HB GLU 86 2HB GLU 86 2.966 -8.999 2.875 668 1HG GLU 86 1HG GLU 86 1.029 -7.915 2.089 669 2HG GLU 86 2HG GLU 86 0.227 -9.441 1.761 670 H GLU 87 H GLU 87 0.594 -9.040 -0.057 671 HA GLU 87 HA GLU 87 -0.883 -11.373 -0.455 672 1HB GLU 87 1HB GLU 87 -0.949 -8.679 -1.801 673 2HB GLU 87 2HB GLU 87 -2.036 -9.970 -2.291 674 1HG GLU 87 1HG GLU 87 -1.837 -8.897 0.510 675 2HG GLU 87 2HG GLU 87 -3.014 -8.358 -0.684 676 H ALA 88 H ALA 88 1.381 -9.709 -2.628 677 HA ALA 88 HA ALA 88 0.989 -11.214 -4.919 678 1HB ALA 88 1HB ALA 88 3.256 -10.619 -5.561 679 2HB ALA 88 2HB ALA 88 3.635 -10.177 -3.897 680 3HB ALA 88 3HB ALA 88 2.453 -9.239 -4.812 681 H ILE 89 H ILE 89 3.047 -11.883 -2.110 682 HA ILE 89 HA ILE 89 4.182 -14.280 -2.999 683 HB ILE 89 HB ILE 89 3.615 -13.115 -0.305 684 1HG1 ILE 89 1HG1 ILE 89 6.149 -14.138 -1.601 685 2HG1 ILE 89 2HG1 ILE 89 5.607 -12.464 -1.632 686 1HG2 ILE 89 1HG2 ILE 89 4.541 -15.060 0.830 687 2HG2 ILE 89 2HG2 ILE 89 4.623 -15.927 -0.704 688 3HG2 ILE 89 3HG2 ILE 89 3.056 -15.476 -0.028 689 1HD1 ILE 89 1HD1 ILE 89 7.319 -12.778 0.043 690 2HD1 ILE 89 2HD1 ILE 89 6.361 -14.041 0.816 691 3HD1 ILE 89 3HD1 ILE 89 5.782 -12.375 0.809 692 H LYS 90 H LYS 90 1.124 -13.560 -1.448 693 HA LYS 90 HA LYS 90 0.305 -16.327 -1.365 694 1HB LYS 90 1HB LYS 90 -0.704 -13.762 -0.318 695 2HB LYS 90 2HB LYS 90 -1.940 -14.936 -0.730 696 1HG LYS 90 1HG LYS 90 -1.270 -15.041 1.628 697 2HG LYS 90 2HG LYS 90 -0.962 -16.551 0.775 698 1HD LYS 90 1HD LYS 90 0.946 -16.170 2.103 699 2HD LYS 90 2HD LYS 90 1.416 -15.719 0.464 700 1HE LYS 90 1HE LYS 90 2.241 -14.026 1.903 701 2HE LYS 90 2HE LYS 90 0.844 -13.354 1.066 702 1HZ LYS 90 1HZ LYS 90 -0.501 -13.791 3.020 703 2HZ LYS 90 2HZ LYS 90 0.818 -12.810 3.420 704 3HZ LYS 90 3HZ LYS 90 0.833 -14.451 3.825 705 H PHE 91 H PHE 91 0.303 -13.912 -3.689 706 HA PHE 91 HA PHE 91 -1.980 -15.122 -5.092 707 1HB PHE 91 1HB PHE 91 -1.044 -12.298 -4.907 708 2HB PHE 91 2HB PHE 91 -1.833 -12.831 -6.396 709 HD1 PHE 91 HD1 PHE 91 -4.175 -13.352 -6.443 710 HD2 PHE 91 HD2 PHE 91 -2.258 -12.280 -2.800 711 HE1 PHE 91 HE1 PHE 91 -6.366 -13.033 -5.390 712 HE2 PHE 91 HE2 PHE 91 -4.452 -11.960 -1.739 713 HZ PHE 91 HZ PHE 91 -6.522 -12.391 -3.038 714 H SER 92 H SER 92 1.059 -15.637 -5.018 715 HA SER 92 HA SER 92 2.757 -16.139 -6.462 716 1HB SER 92 1HB SER 92 0.380 -16.957 -8.142 717 2HB SER 92 2HB SER 92 2.041 -17.481 -8.410 718 HG SER 92 HG SER 92 1.273 -17.896 -5.847 719 H GLU 93 H GLU 93 3.167 -13.777 -6.667 720 HA GLU 93 HA GLU 93 3.275 -13.079 -9.476 721 1HB GLU 93 1HB GLU 93 1.665 -11.555 -7.462 722 2HB GLU 93 2HB GLU 93 2.453 -10.689 -8.778 723 1HG GLU 93 1HG GLU 93 0.504 -12.959 -9.108 724 2HG GLU 93 2HG GLU 93 0.117 -11.248 -9.273 725 H GLU 94 H GLU 94 5.504 -13.342 -9.201 726 HA GLU 94 HA GLU 94 6.935 -11.798 -7.237 727 1HB GLU 94 1HB GLU 94 8.955 -12.736 -8.333 728 2HB GLU 94 2HB GLU 94 7.802 -13.966 -7.835 729 1HG GLU 94 1HG GLU 94 6.987 -14.125 -10.139 730 2HG GLU 94 2HG GLU 94 8.169 -12.912 -10.630 731 H GLN 95 H GLN 95 6.405 -11.649 -10.731 732 HA GLN 95 HA GLN 95 8.181 -9.551 -11.289 733 1HB GLN 95 1HB GLN 95 6.822 -9.211 -13.332 734 2HB GLN 95 2HB GLN 95 7.249 -10.896 -13.068 735 1HG GLN 95 1HG GLN 95 4.999 -11.264 -12.102 736 2HG GLN 95 2HG GLN 95 4.589 -9.601 -12.520 737 1HE2 GLN 95 1HE2 GLN 95 6.161 -9.718 -14.998 738 2HE2 GLN 95 2HE2 GLN 95 5.217 -10.642 -16.109 739 H ARG 96 H ARG 96 4.773 -9.538 -10.354 740 HA ARG 96 HA ARG 96 4.259 -6.812 -10.615 741 1HB ARG 96 1HB ARG 96 2.967 -9.090 -9.489 742 2HB ARG 96 2HB ARG 96 2.907 -7.798 -8.301 743 1HG ARG 96 1HG ARG 96 2.097 -7.310 -11.141 744 2HG ARG 96 2HG ARG 96 0.981 -8.035 -9.982 745 1HD ARG 96 1HD ARG 96 0.603 -5.667 -10.041 746 2HD ARG 96 2HD ARG 96 1.331 -6.093 -8.491 747 HE ARG 96 HE ARG 96 3.493 -5.352 -9.685 748 1HH1 ARG 96 1HH1 ARG 96 0.345 -3.957 -10.203 749 2HH1 ARG 96 2HH1 ARG 96 0.963 -2.385 -10.579 750 1HH2 ARG 96 1HH2 ARG 96 4.316 -3.286 -10.179 751 2HH2 ARG 96 2HH2 ARG 96 3.218 -2.003 -10.568 752 H PHE 97 H PHE 97 6.058 -8.562 -8.231 753 HA PHE 97 HA PHE 97 6.006 -6.566 -6.213 754 1HB PHE 97 1HB PHE 97 6.598 -9.063 -5.989 755 2HB PHE 97 2HB PHE 97 8.191 -8.613 -6.576 756 HD1 PHE 97 HD1 PHE 97 8.950 -6.254 -5.203 757 HD2 PHE 97 HD2 PHE 97 6.611 -9.506 -3.764 758 HE1 PHE 97 HE1 PHE 97 9.640 -5.727 -2.904 759 HE2 PHE 97 HE2 PHE 97 7.296 -8.982 -1.462 760 HZ PHE 97 HZ PHE 97 8.812 -7.091 -1.028 761 H ASN 98 H ASN 98 8.661 -7.584 -8.383 762 HA ASN 98 HA ASN 98 10.283 -5.352 -7.787 763 1HB ASN 98 1HB ASN 98 11.461 -5.976 -9.956 764 2HB ASN 98 2HB ASN 98 11.377 -7.235 -8.730 765 1HD2 ASN 98 1HD2 ASN 98 10.190 -9.056 -9.104 766 2HD2 ASN 98 2HD2 ASN 98 9.504 -9.437 -10.643 767 H ASN 99 H ASN 99 7.510 -5.718 -9.749 768 HA ASN 99 HA ASN 99 8.091 -3.532 -11.503 769 1HB ASN 99 1HB ASN 99 6.511 -5.459 -12.014 770 2HB ASN 99 2HB ASN 99 5.358 -4.682 -10.926 771 1HD2 ASN 99 1HD2 ASN 99 7.004 -4.499 -13.977 772 2HD2 ASN 99 2HD2 ASN 99 6.027 -3.247 -14.660 773 H PHE 100 H PHE 100 5.912 -3.927 -8.679 774 HA PHE 100 HA PHE 100 5.145 -1.178 -8.735 775 1HB PHE 100 1HB PHE 100 3.832 -1.614 -6.883 776 2HB PHE 100 2HB PHE 100 3.945 -3.212 -7.605 777 HD1 PHE 100 HD1 PHE 100 4.879 -5.010 -6.418 778 HD2 PHE 100 HD2 PHE 100 5.279 -1.055 -4.918 779 HE1 PHE 100 HE1 PHE 100 5.728 -5.905 -4.295 780 HE2 PHE 100 HE2 PHE 100 6.129 -1.943 -2.788 781 HZ PHE 100 HZ PHE 100 6.332 -4.366 -2.462 782 H LEU 101 H LEU 101 7.764 -2.938 -7.304 783 HA LEU 101 HA LEU 101 8.538 -0.845 -5.502 784 1HB LEU 101 1HB LEU 101 9.039 -3.284 -5.208 785 2HB LEU 101 2HB LEU 101 10.164 -3.166 -6.539 786 HG LEU 101 HG LEU 101 11.800 -2.240 -5.258 787 1HD1 LEU 101 1HD1 LEU 101 11.495 -0.660 -3.466 788 2HD1 LEU 101 2HD1 LEU 101 9.746 -0.907 -3.489 789 3HD1 LEU 101 3HD1 LEU 101 10.551 -0.144 -4.861 790 1HD2 LEU 101 1HD2 LEU 101 11.611 -4.117 -3.987 791 2HD2 LEU 101 2HD2 LEU 101 9.955 -3.762 -3.500 792 3HD2 LEU 101 3HD2 LEU 101 11.295 -2.909 -2.741 793 H LYS 102 H LYS 102 9.760 -2.004 -8.660 794 HA LYS 102 HA LYS 102 11.752 0.051 -8.728 795 1HB LYS 102 1HB LYS 102 10.688 -1.748 -10.919 796 2HB LYS 102 2HB LYS 102 12.009 -0.618 -11.139 797 1HG LYS 102 1HG LYS 102 11.948 -3.206 -9.691 798 2HG LYS 102 2HG LYS 102 13.157 -2.557 -10.793 799 1HD LYS 102 1HD LYS 102 14.326 -2.309 -8.863 800 2HD LYS 102 2HD LYS 102 13.405 -0.806 -8.768 801 1HE LYS 102 1HE LYS 102 13.273 -1.910 -6.667 802 2HE LYS 102 2HE LYS 102 11.696 -1.966 -7.459 803 1HZ LYS 102 1HZ LYS 102 12.245 -4.094 -6.463 804 2HZ LYS 102 2HZ LYS 102 13.673 -4.186 -7.367 805 3HZ LYS 102 3HZ LYS 102 12.173 -4.239 -8.147 806 H ALA 103 H ALA 103 8.428 -0.192 -9.549 807 HA ALA 103 HA ALA 103 8.509 2.064 -11.304 808 1HB ALA 103 1HB ALA 103 6.838 0.342 -11.693 809 2HB ALA 103 2HB ALA 103 6.062 1.893 -11.366 810 3HB ALA 103 3HB ALA 103 6.129 0.657 -10.109 811 H LEU 104 H LEU 104 7.417 1.437 -7.982 812 HA LEU 104 HA LEU 104 6.498 4.064 -7.543 813 1HB LEU 104 1HB LEU 104 6.478 3.551 -5.194 814 2HB LEU 104 2HB LEU 104 5.889 2.165 -6.080 815 HG LEU 104 HG LEU 104 8.355 1.320 -5.846 816 1HD1 LEU 104 1HD1 LEU 104 9.101 3.502 -4.833 817 2HD1 LEU 104 2HD1 LEU 104 9.533 2.049 -3.938 818 3HD1 LEU 104 3HD1 LEU 104 8.184 3.046 -3.400 819 1HD2 LEU 104 1HD2 LEU 104 6.557 1.348 -3.434 820 2HD2 LEU 104 2HD2 LEU 104 7.734 0.113 -3.884 821 3HD2 LEU 104 3HD2 LEU 104 6.282 0.343 -4.857 822 H GLN 105 H GLN 105 9.644 2.510 -7.126 823 HA GLN 105 HA GLN 105 10.844 4.776 -5.918 824 1HB GLN 105 1HB GLN 105 12.124 3.003 -5.452 825 2HB GLN 105 2HB GLN 105 11.772 2.187 -6.973 826 1HG GLN 105 1HG GLN 105 14.095 2.710 -6.906 827 2HG GLN 105 2HG GLN 105 13.331 3.760 -8.099 828 1HE2 GLN 105 1HE2 GLN 105 15.001 5.261 -7.960 829 2HE2 GLN 105 2HE2 GLN 105 15.183 6.312 -6.601 830 H GLU 106 H GLU 106 10.991 3.520 -9.279 831 HA GLU 106 HA GLU 106 12.565 5.535 -10.333 832 1HB GLU 106 1HB GLU 106 11.699 5.006 -12.488 833 2HB GLU 106 2HB GLU 106 11.721 3.503 -11.576 834 1HG GLU 106 1HG GLU 106 9.377 3.622 -11.198 835 2HG GLU 106 2HG GLU 106 9.290 5.236 -11.903 836 H LYS 107 H LYS 107 9.159 5.535 -9.457 837 HA LYS 107 HA LYS 107 8.507 8.017 -10.646 838 1HB LYS 107 1HB LYS 107 7.317 6.405 -8.409 839 2HB LYS 107 2HB LYS 107 6.722 8.023 -8.746 840 1HG LYS 107 1HG LYS 107 6.345 7.254 -11.121 841 2HG LYS 107 2HG LYS 107 6.657 5.618 -10.539 842 1HD LYS 107 1HD LYS 107 4.523 7.479 -9.492 843 2HD LYS 107 2HD LYS 107 4.254 6.124 -10.591 844 1HE LYS 107 1HE LYS 107 5.532 5.780 -7.890 845 2HE LYS 107 2HE LYS 107 3.786 5.726 -8.116 846 1HZ LYS 107 1HZ LYS 107 4.783 3.517 -8.163 847 2HZ LYS 107 2HZ LYS 107 5.740 3.960 -9.486 848 3HZ LYS 107 3HZ LYS 107 4.057 3.892 -9.646 849 H VAL 108 H VAL 108 9.497 7.158 -7.314 850 HA VAL 108 HA VAL 108 9.486 9.741 -6.256 851 HB VAL 108 HB VAL 108 10.566 8.917 -4.414 852 1HG1 VAL 108 1HG1 VAL 108 9.948 6.690 -3.967 853 2HG1 VAL 108 2HG1 VAL 108 9.966 6.275 -5.679 854 3HG1 VAL 108 3HG1 VAL 108 8.725 7.360 -5.049 855 1HG2 VAL 108 1HG2 VAL 108 12.285 6.988 -4.652 856 2HG2 VAL 108 2HG2 VAL 108 12.750 8.642 -5.055 857 3HG2 VAL 108 3HG2 VAL 108 12.339 7.503 -6.339 858 H GLU 109 H GLU 109 11.669 8.198 -8.440 859 HA GLU 109 HA GLU 109 13.845 10.035 -8.123 860 1HB GLU 109 1HB GLU 109 14.194 7.780 -9.022 861 2HB GLU 109 2HB GLU 109 13.164 8.159 -10.397 862 1HG GLU 109 1HG GLU 109 15.511 8.254 -10.998 863 2HG GLU 109 2HG GLU 109 14.749 9.838 -11.147 864 H ILE 110 H ILE 110 11.475 9.536 -10.727 865 HA ILE 110 HA ILE 110 12.052 11.700 -12.320 866 HB ILE 110 HB ILE 110 9.583 10.130 -11.796 867 1HG1 ILE 110 1HG1 ILE 110 9.783 9.627 -14.185 868 2HG1 ILE 110 2HG1 ILE 110 11.121 10.763 -14.321 869 1HG2 ILE 110 1HG2 ILE 110 8.593 12.281 -11.989 870 2HG2 ILE 110 2HG2 ILE 110 8.374 11.464 -13.537 871 3HG2 ILE 110 3HG2 ILE 110 9.622 12.698 -13.359 872 1HD1 ILE 110 1HD1 ILE 110 12.024 8.575 -14.257 873 2HD1 ILE 110 2HD1 ILE 110 11.065 8.154 -12.838 874 3HD1 ILE 110 3HD1 ILE 110 12.373 9.328 -12.700 875 H LYS 111 H LYS 111 9.836 11.559 -9.566 876 HA LYS 111 HA LYS 111 9.661 14.494 -9.573 877 1HB LYS 111 1HB LYS 111 7.839 12.306 -8.688 878 2HB LYS 111 2HB LYS 111 7.779 13.827 -7.809 879 1HG LYS 111 1HG LYS 111 7.568 14.860 -10.201 880 2HG LYS 111 2HG LYS 111 7.019 13.235 -10.623 881 1HD LYS 111 1HD LYS 111 5.874 14.885 -8.373 882 2HD LYS 111 2HD LYS 111 5.182 14.809 -9.998 883 1HE LYS 111 1HE LYS 111 5.610 12.429 -8.193 884 2HE LYS 111 2HE LYS 111 4.080 13.286 -8.375 885 1HZ LYS 111 1HZ LYS 111 4.188 11.298 -9.761 886 2HZ LYS 111 2HZ LYS 111 5.543 11.913 -10.566 887 3HZ LYS 111 3HZ LYS 111 4.051 12.695 -10.707 888 H GLN 112 H GLN 112 8.791 14.780 -6.937 889 HA GLN 112 HA GLN 112 11.291 14.562 -5.525 890 1HB GLN 112 1HB GLN 112 8.632 15.821 -4.892 891 2HB GLN 112 2HB GLN 112 9.913 15.724 -3.692 892 1HG GLN 112 1HG GLN 112 9.952 17.887 -4.715 893 2HG GLN 112 2HG GLN 112 11.387 16.990 -5.212 894 1HE2 GLN 112 1HE2 GLN 112 8.337 18.314 -6.217 895 2HE2 GLN 112 2HE2 GLN 112 8.601 18.165 -7.918 896 H LEU 113 H LEU 113 9.057 14.387 -3.157 897 HA LEU 113 HA LEU 113 8.299 12.754 -1.768 898 1HB LEU 113 1HB LEU 113 8.486 11.117 -4.282 899 2HB LEU 113 2HB LEU 113 7.764 10.550 -2.789 900 HG LEU 113 HG LEU 113 6.088 11.267 -4.367 901 1HD1 LEU 113 1HD1 LEU 113 6.206 11.894 -1.719 902 2HD1 LEU 113 2HD1 LEU 113 4.772 12.056 -2.730 903 3HD1 LEU 113 3HD1 LEU 113 5.813 13.451 -2.449 904 1HD2 LEU 113 1HD2 LEU 113 7.441 12.969 -5.543 905 2HD2 LEU 113 2HD2 LEU 113 7.214 14.040 -4.159 906 3HD2 LEU 113 3HD2 LEU 113 5.822 13.521 -5.109 907 H ASN 114 H ASN 114 11.304 13.078 -2.511 908 HA ASN 114 HA ASN 114 12.599 10.636 -2.291 909 1HB ASN 114 1HB ASN 114 13.484 13.301 -1.158 910 2HB ASN 114 2HB ASN 114 14.514 11.887 -1.355 911 1HD2 ASN 114 1HD2 ASN 114 12.061 12.905 -3.659 912 2HD2 ASN 114 2HD2 ASN 114 13.162 13.324 -4.918 913 H HIS 115 H HIS 115 11.081 12.613 0.179 914 HA HIS 115 HA HIS 115 12.107 11.422 2.477 915 1HB HIS 115 1HB HIS 115 9.299 12.444 2.001 916 2HB HIS 115 2HB HIS 115 10.011 12.123 3.579 917 HD1 HIS 115 HD1 HIS 115 11.510 13.909 4.571 918 HD2 HIS 115 HD2 HIS 115 10.376 14.723 0.656 919 HE1 HIS 115 HE1 HIS 115 12.234 16.279 4.139 920 HE2 HIS 115 HE2 HIS 115 11.459 16.777 1.794 921 H PHE 116 H PHE 116 9.329 10.488 0.479 922 HA PHE 116 HA PHE 116 8.452 8.290 1.914 923 1HB PHE 116 1HB PHE 116 7.123 8.884 0.069 924 2HB PHE 116 2HB PHE 116 8.497 8.921 -1.028 925 HD1 PHE 116 HD1 PHE 116 7.147 6.323 1.296 926 HD2 PHE 116 HD2 PHE 116 8.229 7.372 -2.684 927 HE1 PHE 116 HE1 PHE 116 6.613 4.039 0.551 928 HE2 PHE 116 HE2 PHE 116 7.695 5.092 -3.435 929 HZ PHE 116 HZ PHE 116 6.886 3.421 -1.816 930 H TRP 117 H TRP 117 10.841 8.400 -0.711 931 HA TRP 117 HA TRP 117 11.706 5.788 -0.647 932 1HB TRP 117 1HB TRP 117 12.526 7.205 -2.378 933 2HB TRP 117 2HB TRP 117 13.204 8.346 -1.225 934 HD1 TRP 117 HD1 TRP 117 15.731 8.150 -0.922 935 HE1 TRP 117 HE1 TRP 117 17.502 6.321 -1.296 936 HE3 TRP 117 HE3 TRP 117 12.657 4.315 -2.331 937 HZ2 TRP 117 HZ2 TRP 117 17.587 3.613 -2.081 938 HZ3 TRP 117 HZ3 TRP 117 13.664 2.136 -2.876 939 HH2 TRP 117 HH2 TRP 117 16.078 1.795 -2.753 940 H GLU 118 H GLU 118 12.725 8.525 1.358 941 HA GLU 118 HA GLU 118 14.832 7.386 2.730 942 1HB GLU 118 1HB GLU 118 12.769 9.278 3.872 943 2HB GLU 118 2HB GLU 118 14.361 8.969 4.541 944 1HG GLU 118 1HG GLU 118 13.718 10.302 1.928 945 2HG GLU 118 2HG GLU 118 14.399 11.046 3.371 946 H ILE 119 H ILE 119 11.378 7.376 3.764 947 HA ILE 119 HA ILE 119 11.901 5.770 6.033 948 HB ILE 119 HB ILE 119 9.565 5.410 6.269 949 1HG1 ILE 119 1HG1 ILE 119 9.315 6.308 3.395 950 2HG1 ILE 119 2HG1 ILE 119 8.959 4.706 4.033 951 1HG2 ILE 119 1HG2 ILE 119 10.456 7.676 6.687 952 2HG2 ILE 119 2HG2 ILE 119 8.744 7.663 6.268 953 3HG2 ILE 119 3HG2 ILE 119 9.940 8.143 5.066 954 1HD1 ILE 119 1HD1 ILE 119 7.119 5.669 5.342 955 2HD1 ILE 119 2HD1 ILE 119 6.921 5.915 3.607 956 3HD1 ILE 119 3HD1 ILE 119 7.462 7.246 4.629 957 H VAL 120 H VAL 120 11.162 4.902 2.667 958 HA VAL 120 HA VAL 120 10.766 2.157 3.216 959 HB VAL 120 HB VAL 120 10.458 1.875 1.036 960 1HG1 VAL 120 1HG1 VAL 120 9.526 4.115 1.293 961 2HG1 VAL 120 2HG1 VAL 120 10.130 3.832 -0.339 962 3HG1 VAL 120 3HG1 VAL 120 11.067 4.805 0.790 963 1HG2 VAL 120 1HG2 VAL 120 13.095 3.229 0.539 964 2HG2 VAL 120 2HG2 VAL 120 12.105 2.454 -0.697 965 3HG2 VAL 120 3HG2 VAL 120 12.782 1.494 0.619 966 H VAL 121 H VAL 121 13.709 4.071 2.727 967 HA VAL 121 HA VAL 121 15.446 1.805 2.645 968 HB VAL 121 HB VAL 121 17.183 3.227 2.432 969 1HG1 VAL 121 1HG1 VAL 121 16.669 5.257 1.375 970 2HG1 VAL 121 2HG1 VAL 121 15.148 5.415 2.250 971 3HG1 VAL 121 3HG1 VAL 121 15.328 4.168 1.017 972 1HG2 VAL 121 1HG2 VAL 121 17.474 5.313 3.771 973 2HG2 VAL 121 2HG2 VAL 121 17.371 3.829 4.717 974 3HG2 VAL 121 3HG2 VAL 121 15.980 4.906 4.614 975 H GLN 122 H GLN 122 14.140 3.876 5.107 976 HA GLN 122 HA GLN 122 15.634 2.827 7.288 977 1HB GLN 122 1HB GLN 122 14.672 5.009 7.506 978 2HB GLN 122 2HB GLN 122 13.073 4.417 7.080 979 1HG GLN 122 1HG GLN 122 12.810 3.341 9.146 980 2HG GLN 122 2HG GLN 122 14.517 3.525 9.549 981 1HE2 GLN 122 1HE2 GLN 122 12.571 6.042 8.106 982 2HE2 GLN 122 2HE2 GLN 122 12.557 7.090 9.479 983 H ASP 123 H ASP 123 12.957 1.793 5.459 984 HA ASP 123 HA ASP 123 12.219 -0.234 7.456 985 1HB ASP 123 1HB ASP 123 10.731 1.012 5.154 986 2HB ASP 123 2HB ASP 123 10.194 -0.503 5.870 987 H GLY 124 H GLY 124 14.070 0.161 4.714 988 1HA GLY 124 1HA GLY 124 15.052 -1.312 3.243 989 2HA GLY 124 2HA GLY 124 14.637 -2.576 4.396 990 H ILE 125 H ILE 125 13.187 -0.531 1.880 991 HA ILE 125 HA ILE 125 11.449 -2.798 1.155 992 HB ILE 125 HB ILE 125 10.717 0.115 0.945 993 1HG1 ILE 125 1HG1 ILE 125 10.949 -0.498 3.296 994 2HG1 ILE 125 2HG1 ILE 125 9.250 -0.281 2.889 995 1HG2 ILE 125 1HG2 ILE 125 8.461 -0.684 0.567 996 2HG2 ILE 125 2HG2 ILE 125 9.008 -2.356 0.715 997 3HG2 ILE 125 3HG2 ILE 125 9.561 -1.364 -0.633 998 1HD1 ILE 125 1HD1 ILE 125 8.946 -2.682 2.783 999 2HD1 ILE 125 2HD1 ILE 125 9.620 -2.210 4.344 1000 3HD1 ILE 125 3HD1 ILE 125 10.660 -2.931 3.115 1001 H THR 126 H THR 126 13.616 -2.961 -0.244 1002 HA THR 126 HA THR 126 12.827 -1.954 -2.864 1003 HB THR 126 HB THR 126 15.692 -1.697 -2.011 1004 HG1 THR 126 HG1 THR 126 15.292 0.376 -1.477 1005 1HG2 THR 126 1HG2 THR 126 15.391 -1.892 -4.384 1006 2HG2 THR 126 2HG2 THR 126 15.746 -0.203 -4.012 1007 3HG2 THR 126 3HG2 THR 126 14.087 -0.701 -4.358 1008 H LEU 127 H LEU 127 13.621 -3.143 -4.623 1009 HA LEU 127 HA LEU 127 14.018 -5.058 -5.746 1010 1HB LEU 127 1HB LEU 127 16.137 -5.887 -5.605 1011 2HB LEU 127 2HB LEU 127 16.346 -4.383 -4.736 1012 HG LEU 127 HG LEU 127 15.872 -5.885 -2.628 1013 1HD1 LEU 127 1HD1 LEU 127 15.696 -7.827 -4.555 1014 2HD1 LEU 127 2HD1 LEU 127 16.020 -8.107 -2.846 1015 3HD1 LEU 127 3HD1 LEU 127 17.357 -7.993 -3.989 1016 1HD2 LEU 127 1HD2 LEU 127 18.344 -5.409 -4.173 1017 2HD2 LEU 127 2HD2 LEU 127 18.423 -6.580 -2.859 1018 3HD2 LEU 127 3HD2 LEU 127 17.912 -4.928 -2.531 1019 H ILE 128 H ILE 128 14.069 -7.500 -5.622 1020 HA ILE 128 HA ILE 128 11.975 -8.353 -3.885 1021 HB ILE 128 HB ILE 128 13.774 -10.105 -5.558 1022 1HG1 ILE 128 1HG1 ILE 128 12.790 -8.399 -6.985 1023 2HG1 ILE 128 2HG1 ILE 128 12.001 -9.943 -7.288 1024 1HG2 ILE 128 1HG2 ILE 128 10.925 -10.660 -4.811 1025 2HG2 ILE 128 2HG2 ILE 128 12.259 -11.091 -3.742 1026 3HG2 ILE 128 3HG2 ILE 128 12.169 -11.784 -5.363 1027 1HD1 ILE 128 1HD1 ILE 128 10.396 -8.131 -7.248 1028 2HD1 ILE 128 2HD1 ILE 128 10.903 -7.697 -5.614 1029 3HD1 ILE 128 3HD1 ILE 128 10.111 -9.246 -5.912 1030 H THR 129 H THR 129 12.354 -8.492 -1.804 1031 HA THR 129 HA THR 129 14.812 -8.970 -0.609 1032 HB THR 129 HB THR 129 13.655 -9.166 1.466 1033 HG1 THR 129 HG1 THR 129 11.174 -9.385 0.120 1034 1HG2 THR 129 1HG2 THR 129 13.592 -6.961 0.250 1035 2HG2 THR 129 2HG2 THR 129 12.356 -7.181 1.486 1036 3HG2 THR 129 3HG2 THR 129 11.940 -7.359 -0.218 1037 H LYS 130 H LYS 130 15.661 -10.752 -1.755 1038 HA LYS 130 HA LYS 130 15.889 -13.088 -0.415 1039 1HB LYS 130 1HB LYS 130 14.555 -14.718 -1.763 1040 2HB LYS 130 2HB LYS 130 13.588 -13.671 -0.740 1041 1HG LYS 130 1HG LYS 130 13.471 -12.231 -2.958 1042 2HG LYS 130 2HG LYS 130 13.774 -13.808 -3.691 1043 1HD LYS 130 1HD LYS 130 11.517 -13.070 -1.834 1044 2HD LYS 130 2HD LYS 130 11.395 -13.449 -3.551 1045 1HE LYS 130 1HE LYS 130 12.225 -15.333 -1.347 1046 2HE LYS 130 2HE LYS 130 10.694 -15.350 -2.219 1047 1HZ LYS 130 1HZ LYS 130 11.757 -16.020 -4.184 1048 2HZ LYS 130 2HZ LYS 130 12.430 -16.985 -2.973 1049 3HZ LYS 130 3HZ LYS 130 13.299 -15.673 -3.583 1050 H GLU 131 H GLU 131 15.190 -12.446 -3.858 1051 HA GLU 131 HA GLU 131 17.742 -12.196 -4.810 1052 1HB GLU 131 1HB GLU 131 18.120 -14.543 -5.738 1053 2HB GLU 131 2HB GLU 131 18.396 -14.336 -4.011 1054 1HG GLU 131 1HG GLU 131 16.189 -15.264 -3.541 1055 2HG GLU 131 2HG GLU 131 15.902 -15.468 -5.267 1056 H GLU 132 H GLU 132 15.266 -11.197 -5.524 1057 HA GLU 132 HA GLU 132 13.910 -10.785 -7.313 1058 1HB GLU 132 1HB GLU 132 16.123 -12.194 -8.823 1059 2HB GLU 132 2HB GLU 132 14.841 -11.241 -9.560 1060 1HG GLU 132 1HG GLU 132 15.651 -9.250 -8.403 1061 2HG GLU 132 2HG GLU 132 16.938 -10.207 -7.663 1062 H ALA 133 H ALA 133 13.416 -13.099 -5.772 1063 HA ALA 133 HA ALA 133 12.210 -14.868 -7.792 1064 1HB ALA 133 1HB ALA 133 12.546 -16.724 -6.163 1065 2HB ALA 133 2HB ALA 133 13.514 -15.614 -5.189 1066 3HB ALA 133 3HB ALA 133 14.039 -16.048 -6.817 1067 H SER 134 H SER 134 10.803 -16.506 -6.047 1068 HA SER 134 HA SER 134 8.900 -14.641 -4.780 1069 1HB SER 134 1HB SER 134 7.094 -16.199 -5.449 1070 2HB SER 134 2HB SER 134 7.944 -15.532 -6.842 1071 HG SER 134 HG SER 134 7.515 -18.013 -6.455 1072 H GLY 135 H GLY 135 10.543 -17.734 -4.658 1073 1HA GLY 135 1HA GLY 135 9.823 -17.932 -1.814 1074 2HA GLY 135 2HA GLY 135 9.562 -19.323 -2.855 1075 H SER 136 H SER 136 11.752 -17.707 -0.859 1076 HA SER 136 HA SER 136 13.824 -19.662 -1.496 1077 1HB SER 136 1HB SER 136 14.346 -17.595 -2.815 1078 2HB SER 136 2HB SER 136 14.448 -16.706 -1.297 1079 HG SER 136 HG SER 136 16.256 -18.394 -2.459 1080 H SER 137 H SER 137 15.771 -19.154 0.134 1081 HA SER 137 HA SER 137 14.531 -19.071 2.789 1082 1HB SER 137 1HB SER 137 17.235 -20.128 1.927 1083 2HB SER 137 2HB SER 137 16.595 -20.192 3.567 1084 HG SER 137 HG SER 137 14.977 -21.565 2.854 1085 H VAL 138 H VAL 138 16.061 -17.057 0.719 1086 HA VAL 138 HA VAL 138 17.880 -15.729 2.486 1087 HB VAL 138 HB VAL 138 16.660 -14.768 -0.110 1088 1HG1 VAL 138 1HG1 VAL 138 18.627 -13.244 -0.157 1089 2HG1 VAL 138 2HG1 VAL 138 19.002 -13.744 1.493 1090 3HG1 VAL 138 3HG1 VAL 138 17.494 -12.895 1.149 1091 1HG2 VAL 138 1HG2 VAL 138 17.918 -16.825 -0.409 1092 2HG2 VAL 138 2HG2 VAL 138 19.295 -16.129 0.446 1093 3HG2 VAL 138 3HG2 VAL 138 18.796 -15.464 -1.109 1094 H THR 139 H THR 139 17.625 -13.621 3.396 1095 HA THR 139 HA THR 139 14.819 -13.007 4.022 1096 HB THR 139 HB THR 139 15.410 -12.359 6.134 1097 HG1 THR 139 HG1 THR 139 18.120 -11.954 5.835 1098 1HG2 THR 139 1HG2 THR 139 16.138 -14.702 5.859 1099 2HG2 THR 139 2HG2 THR 139 17.102 -13.841 7.059 1100 3HG2 THR 139 3HG2 THR 139 17.757 -14.133 5.448 1101 H ALA 140 H ALA 140 14.975 -10.549 5.034 1102 HA ALA 140 HA ALA 140 14.775 -8.837 2.867 1103 1HB ALA 140 1HB ALA 140 13.714 -8.463 5.046 1104 2HB ALA 140 2HB ALA 140 14.595 -7.047 4.478 1105 3HB ALA 140 3HB ALA 140 15.292 -8.073 5.731 1106 H GLU 141 H GLU 141 17.613 -10.001 4.246 1107 HA GLU 141 HA GLU 141 19.417 -8.003 4.405 1108 1HB GLU 141 1HB GLU 141 19.743 -10.723 3.174 1109 2HB GLU 141 2HB GLU 141 21.098 -9.637 3.461 1110 1HG GLU 141 1HG GLU 141 20.625 -9.608 5.821 1111 2HG GLU 141 2HG GLU 141 19.195 -10.608 5.571 1112 H GLU 142 H GLU 142 18.449 -9.538 1.321 1113 HA GLU 142 HA GLU 142 20.115 -8.135 -0.384 1114 1HB GLU 142 1HB GLU 142 17.229 -8.878 -0.938 1115 2HB GLU 142 2HB GLU 142 18.466 -8.541 -2.143 1116 1HG GLU 142 1HG GLU 142 18.508 -10.833 -0.194 1117 2HG GLU 142 2HG GLU 142 18.056 -10.933 -1.896 1118 H ALA 143 H ALA 143 16.801 -7.255 0.552 1119 HA ALA 143 HA ALA 143 16.710 -4.758 -0.664 1120 1HB ALA 143 1HB ALA 143 15.372 -5.741 1.854 1121 2HB ALA 143 2HB ALA 143 14.713 -5.745 0.218 1122 3HB ALA 143 3HB ALA 143 14.980 -4.217 1.058 1123 H LYS 144 H LYS 144 17.554 -5.571 2.694 1124 HA LYS 144 HA LYS 144 18.197 -3.117 3.694 1125 1HB LYS 144 1HB LYS 144 19.693 -5.704 4.168 1126 2HB LYS 144 2HB LYS 144 19.782 -4.278 5.193 1127 1HG LYS 144 1HG LYS 144 17.489 -4.505 5.827 1128 2HG LYS 144 2HG LYS 144 17.242 -5.797 4.652 1129 1HD LYS 144 1HD LYS 144 17.471 -6.739 6.872 1130 2HD LYS 144 2HD LYS 144 18.861 -7.194 5.887 1131 1HE LYS 144 1HE LYS 144 19.499 -6.527 8.169 1132 2HE LYS 144 2HE LYS 144 20.213 -5.484 6.939 1133 1HZ LYS 144 1HZ LYS 144 19.355 -4.197 8.787 1134 2HZ LYS 144 2HZ LYS 144 17.811 -4.853 8.569 1135 3HZ LYS 144 3HZ LYS 144 18.478 -3.854 7.379 1136 H LYS 145 H LYS 145 20.032 -5.063 1.427 1137 HA LYS 145 HA LYS 145 22.371 -3.387 1.602 1138 1HB LYS 145 1HB LYS 145 21.594 -5.675 -0.189 1139 2HB LYS 145 2HB LYS 145 23.069 -4.752 -0.446 1140 1HG LYS 145 1HG LYS 145 22.375 -6.224 2.088 1141 2HG LYS 145 2HG LYS 145 23.444 -6.826 0.820 1142 1HD LYS 145 1HD LYS 145 24.983 -5.006 1.191 1143 2HD LYS 145 2HD LYS 145 23.882 -4.264 2.353 1144 1HE LYS 145 1HE LYS 145 24.115 -6.242 3.799 1145 2HE LYS 145 2HE LYS 145 25.265 -6.927 2.651 1146 1HZ LYS 145 1HZ LYS 145 26.387 -5.843 4.497 1147 2HZ LYS 145 2HZ LYS 145 25.620 -4.380 4.136 1148 3HZ LYS 145 3HZ LYS 145 26.727 -5.046 3.044 1149 H PHE 146 H PHE 146 19.605 -3.692 -0.601 1150 HA PHE 146 HA PHE 146 20.614 -2.060 -2.648 1151 1HB PHE 146 1HB PHE 146 18.490 -3.503 -2.643 1152 2HB PHE 146 2HB PHE 146 17.692 -2.088 -1.968 1153 HD1 PHE 146 HD1 PHE 146 18.226 -3.782 -4.907 1154 HD2 PHE 146 HD2 PHE 146 18.448 0.156 -3.320 1155 HE1 PHE 146 HE1 PHE 146 17.949 -2.859 -7.168 1156 HE2 PHE 146 HE2 PHE 146 18.167 1.086 -5.575 1157 HZ PHE 146 HZ PHE 146 17.933 -0.470 -7.529 1158 H LEU 147 H LEU 147 18.521 -1.179 0.104 1159 HA LEU 147 HA LEU 147 18.864 1.634 -0.559 1160 1HB LEU 147 1HB LEU 147 17.288 1.929 1.438 1161 2HB LEU 147 2HB LEU 147 16.650 1.258 -0.043 1162 HG LEU 147 HG LEU 147 15.939 0.233 2.217 1163 1HD1 LEU 147 1HD1 LEU 147 15.248 -0.746 0.188 1164 2HD1 LEU 147 2HD1 LEU 147 15.903 -2.048 1.185 1165 3HD1 LEU 147 3HD1 LEU 147 16.860 -1.379 -0.138 1166 1HD2 LEU 147 1HD2 LEU 147 18.201 -0.018 3.143 1167 2HD2 LEU 147 2HD2 LEU 147 18.582 -1.174 1.866 1168 3HD2 LEU 147 3HD2 LEU 147 17.340 -1.555 3.057 1169 H ALA 148 H ALA 148 21.200 0.294 0.345 1170 HA ALA 148 HA ALA 148 21.556 1.295 3.070 1171 1HB ALA 148 1HB ALA 148 23.582 0.000 3.146 1172 2HB ALA 148 2HB ALA 148 23.463 -0.357 1.423 1173 3HB ALA 148 3HB ALA 148 22.272 -1.015 2.543 1174 HA PRO 149 HA PRO 149 23.903 4.734 1.542 1175 1HB PRO 149 1HB PRO 149 24.978 5.407 4.041 1176 2HB PRO 149 2HB PRO 149 23.430 5.942 3.394 1177 1HG PRO 149 1HG PRO 149 23.847 4.237 5.607 1178 2HG PRO 149 2HG PRO 149 22.305 4.605 4.820 1179 1HD PRO 149 1HD PRO 149 24.064 2.232 4.523 1180 2HD PRO 149 2HD PRO 149 22.302 2.366 4.346 1181 H LYS 150 H LYS 150 25.425 2.099 3.167 1182 HA LYS 150 HA LYS 150 28.091 2.943 3.203 1183 1HB LYS 150 1HB LYS 150 28.593 0.456 3.111 1184 2HB LYS 150 2HB LYS 150 27.550 0.994 4.419 1185 1HG LYS 150 1HG LYS 150 25.590 0.245 3.182 1186 2HG LYS 150 2HG LYS 150 26.624 -0.276 1.850 1187 1HD LYS 150 1HD LYS 150 27.072 -1.321 4.620 1188 2HD LYS 150 2HD LYS 150 25.818 -2.020 3.596 1189 1HE LYS 150 1HE LYS 150 27.817 -3.316 3.339 1190 2HE LYS 150 2HE LYS 150 27.543 -2.411 1.851 1191 1HZ LYS 150 1HZ LYS 150 29.395 -1.544 4.001 1192 2HZ LYS 150 2HZ LYS 150 29.220 -0.853 2.468 1193 3HZ LYS 150 3HZ LYS 150 29.878 -2.403 2.627 1194 H ASP 151 H ASP 151 26.136 1.590 0.619 1195 HA ASP 151 HA ASP 151 28.461 1.608 -1.166 1196 1HB ASP 151 1HB ASP 151 26.921 0.398 -2.749 1197 2HB ASP 151 2HB ASP 151 27.277 -0.464 -1.256 1198 H LYS 152 H LYS 152 25.012 2.510 -1.379 1199 HA LYS 152 HA LYS 152 25.770 5.031 -2.629 1200 1HB LYS 152 1HB LYS 152 24.085 2.915 -3.960 1201 2HB LYS 152 2HB LYS 152 24.016 4.606 -4.434 1202 1HG LYS 152 1HG LYS 152 26.093 4.573 -5.383 1203 2HG LYS 152 2HG LYS 152 26.674 3.285 -4.327 1204 1HD LYS 152 1HD LYS 152 25.404 1.644 -5.539 1205 2HD LYS 152 2HD LYS 152 24.639 2.901 -6.517 1206 1HE LYS 152 1HE LYS 152 26.444 1.746 -7.725 1207 2HE LYS 152 2HE LYS 152 26.772 3.465 -7.514 1208 1HZ LYS 152 1HZ LYS 152 28.729 2.118 -7.063 1209 2HZ LYS 152 2HZ LYS 152 27.901 1.279 -5.850 1210 3HZ LYS 152 3HZ LYS 152 28.227 2.928 -5.665 Start of MODEL 8 1 1H MET 1 1H MET 1 -5.476 46.211 18.452 2 2H MET 1 2H MET 1 -6.552 45.403 17.428 3 3H MET 1 3H MET 1 -5.483 46.550 16.795 4 HA MET 1 HA MET 1 -4.724 44.337 16.287 5 1HB MET 1 1HB MET 1 -3.027 45.694 18.393 6 2HB MET 1 2HB MET 1 -2.455 44.527 17.207 7 1HG MET 1 1HG MET 1 -3.066 46.079 15.409 8 2HG MET 1 2HG MET 1 -3.586 47.252 16.616 9 1HE MET 1 1HE MET 1 -2.018 49.117 15.616 10 2HE MET 1 2HE MET 1 -1.509 47.998 14.352 11 3HE MET 1 3HE MET 1 -0.303 48.885 15.285 12 H HIS 2 H HIS 2 -4.523 42.242 16.843 13 HA HIS 2 HA HIS 2 -5.313 41.514 19.572 14 1HB HIS 2 1HB HIS 2 -5.184 39.768 17.105 15 2HB HIS 2 2HB HIS 2 -5.886 39.333 18.661 16 HD1 HIS 2 HD1 HIS 2 -8.259 40.120 19.141 17 HD2 HIS 2 HD2 HIS 2 -6.726 41.603 15.574 18 HE1 HIS 2 HE1 HIS 2 -10.215 41.158 17.950 19 HE2 HIS 2 HE2 HIS 2 -9.253 42.099 15.818 20 H HIS 3 H HIS 3 -4.306 39.409 20.374 21 HA HIS 3 HA HIS 3 -1.405 39.664 20.108 22 1HB HIS 3 1HB HIS 3 -3.043 38.139 22.145 23 2HB HIS 3 2HB HIS 3 -1.294 38.337 22.174 24 HD1 HIS 3 HD1 HIS 3 -4.335 39.814 23.430 25 HD2 HIS 3 HD2 HIS 3 -0.539 41.194 22.458 26 HE1 HIS 3 HE1 HIS 3 -4.110 42.034 24.590 27 HE2 HIS 3 HE2 HIS 3 -1.840 42.890 23.916 28 H HIS 4 H HIS 4 -0.838 38.533 18.304 29 HA HIS 4 HA HIS 4 -0.741 35.694 18.498 30 1HB HIS 4 1HB HIS 4 -3.092 36.023 17.715 31 2HB HIS 4 2HB HIS 4 -2.461 36.810 16.272 32 HD1 HIS 4 HD1 HIS 4 -2.683 33.447 17.933 33 HD2 HIS 4 HD2 HIS 4 -1.507 35.103 14.309 34 HE1 HIS 4 HE1 HIS 4 -2.339 31.496 16.384 35 HE2 HIS 4 HE2 HIS 4 -1.552 32.519 14.220 36 H HIS 5 H HIS 5 0.634 34.751 16.932 37 HA HIS 5 HA HIS 5 2.616 36.532 15.911 38 1HB HIS 5 1HB HIS 5 2.266 33.560 15.468 39 2HB HIS 5 2HB HIS 5 3.709 34.491 15.072 40 HD1 HIS 5 HD1 HIS 5 1.742 33.244 18.032 41 HD2 HIS 5 HD2 HIS 5 5.430 34.959 17.178 42 HE1 HIS 5 HE1 HIS 5 3.065 33.092 20.166 43 HE2 HIS 5 HE2 HIS 5 5.261 34.211 19.647 44 H HIS 6 H HIS 6 2.554 37.597 14.066 45 HA HIS 6 HA HIS 6 2.077 38.228 11.941 46 1HB HIS 6 1HB HIS 6 1.818 35.240 11.582 47 2HB HIS 6 2HB HIS 6 1.762 36.391 10.251 48 HD1 HIS 6 HD1 HIS 6 3.977 37.537 9.580 49 HD2 HIS 6 HD2 HIS 6 4.354 34.787 12.671 50 HE1 HIS 6 HE1 HIS 6 6.446 37.135 9.823 51 HE2 HIS 6 HE2 HIS 6 6.655 35.511 11.738 52 H HIS 7 H HIS 7 0.330 37.888 10.102 53 HA HIS 7 HA HIS 7 -2.191 38.449 11.358 54 1HB HIS 7 1HB HIS 7 -1.299 39.632 9.317 55 2HB HIS 7 2HB HIS 7 -1.617 38.161 8.404 56 HD1 HIS 7 HD1 HIS 7 -3.308 41.077 9.982 57 HD2 HIS 7 HD2 HIS 7 -4.338 37.634 7.901 58 HE1 HIS 7 HE1 HIS 7 -5.720 41.378 9.341 59 HE2 HIS 7 HE2 HIS 7 -6.290 39.328 7.992 60 H LYS 8 H LYS 8 -3.607 36.949 11.946 61 HA LYS 8 HA LYS 8 -3.398 34.229 11.196 62 1HB LYS 8 1HB LYS 8 -5.468 33.910 12.444 63 2HB LYS 8 2HB LYS 8 -4.357 34.937 13.340 64 1HG LYS 8 1HG LYS 8 -5.601 36.907 12.706 65 2HG LYS 8 2HG LYS 8 -6.670 35.937 11.691 66 1HD LYS 8 1HD LYS 8 -6.367 35.603 14.675 67 2HD LYS 8 2HD LYS 8 -7.655 36.524 13.895 68 1HE LYS 8 1HE LYS 8 -8.348 34.477 12.700 69 2HE LYS 8 2HE LYS 8 -7.109 33.576 13.570 70 1HZ LYS 8 1HZ LYS 8 -9.404 34.997 14.808 71 2HZ LYS 8 2HZ LYS 8 -8.212 34.141 15.647 72 3HZ LYS 8 3HZ LYS 8 -9.268 33.322 14.610 73 H LEU 9 H LEU 9 -4.543 32.997 9.772 74 HA LEU 9 HA LEU 9 -5.669 32.483 7.868 75 1HB LEU 9 1HB LEU 9 -7.504 34.690 8.800 76 2HB LEU 9 2HB LEU 9 -7.887 33.503 7.569 77 HG LEU 9 HG LEU 9 -7.306 32.830 10.452 78 1HD1 LEU 9 1HD1 LEU 9 -9.369 34.118 10.252 79 2HD1 LEU 9 2HD1 LEU 9 -9.707 32.434 10.649 80 3HD1 LEU 9 3HD1 LEU 9 -9.943 33.015 9.001 81 1HD2 LEU 9 1HD2 LEU 9 -8.259 31.204 8.105 82 2HD2 LEU 9 2HD2 LEU 9 -8.339 30.653 9.779 83 3HD2 LEU 9 3HD2 LEU 9 -6.776 30.988 9.035 84 H LYS 10 H LYS 10 -4.298 33.000 6.240 85 HA LYS 10 HA LYS 10 -4.731 35.610 4.953 86 1HB LYS 10 1HB LYS 10 -2.570 35.635 6.144 87 2HB LYS 10 2HB LYS 10 -2.066 34.209 5.247 88 1HG LYS 10 1HG LYS 10 -2.163 35.461 3.166 89 2HG LYS 10 2HG LYS 10 -2.719 36.889 4.041 90 1HD LYS 10 1HD LYS 10 -0.632 36.961 5.288 91 2HD LYS 10 2HD LYS 10 -0.079 35.494 4.475 92 1HE LYS 10 1HE LYS 10 0.923 37.473 3.470 93 2HE LYS 10 2HE LYS 10 -0.147 36.659 2.327 94 1HZ LYS 10 1HZ LYS 10 -0.798 39.086 3.908 95 2HZ LYS 10 2HZ LYS 10 -1.869 38.289 2.871 96 3HZ LYS 10 3HZ LYS 10 -0.483 39.031 2.247 97 H THR 11 H THR 11 -5.023 35.555 2.790 98 HA THR 11 HA THR 11 -5.202 32.936 1.539 99 HB THR 11 HB THR 11 -5.949 35.627 0.380 100 HG1 THR 11 HG1 THR 11 -7.073 34.577 2.397 101 1HG2 THR 11 1HG2 THR 11 -7.339 34.298 -1.147 102 2HG2 THR 11 2HG2 THR 11 -6.725 32.817 -0.412 103 3HG2 THR 11 3HG2 THR 11 -5.632 33.879 -1.300 104 H GLU 12 H GLU 12 -4.090 32.308 -0.301 105 HA GLU 12 HA GLU 12 -1.481 33.438 -0.625 106 1HB GLU 12 1HB GLU 12 -2.912 31.257 -2.153 107 2HB GLU 12 2HB GLU 12 -1.227 31.692 -2.394 108 1HG GLU 12 1HG GLU 12 -1.259 29.782 -1.008 109 2HG GLU 12 2HG GLU 12 -0.837 31.151 0.018 110 H GLN 13 H GLN 13 -0.676 33.702 -3.002 111 HA GLN 13 HA GLN 13 -2.526 35.572 -4.318 112 1HB GLN 13 1HB GLN 13 0.489 35.431 -4.499 113 2HB GLN 13 2HB GLN 13 -0.532 36.631 -5.277 114 1HG GLN 13 1HG GLN 13 -1.233 37.471 -3.109 115 2HG GLN 13 2HG GLN 13 -0.259 36.241 -2.306 116 1HE2 GLN 13 1HE2 GLN 13 0.785 37.890 -5.196 117 2HE2 GLN 13 2HE2 GLN 13 2.047 38.808 -4.455 118 H GLY 14 H GLY 14 0.151 33.372 -5.182 119 1HA GLY 14 1HA GLY 14 -1.464 32.158 -7.255 120 2HA GLY 14 2HA GLY 14 -0.132 33.135 -7.854 121 H GLY 15 H GLY 15 -0.491 30.825 -5.157 122 1HA GLY 15 1HA GLY 15 2.086 29.656 -5.876 123 2HA GLY 15 2HA GLY 15 1.165 29.330 -4.414 124 H ALA 16 H ALA 16 1.802 27.087 -4.976 125 HA ALA 16 HA ALA 16 0.454 25.870 -7.228 126 1HB ALA 16 1HB ALA 16 2.011 24.555 -5.006 127 2HB ALA 16 2HB ALA 16 2.700 25.131 -6.523 128 3HB ALA 16 3HB ALA 16 1.521 23.817 -6.531 129 H HIS 17 H HIS 17 -1.331 24.584 -7.175 130 HA HIS 17 HA HIS 17 -2.514 23.823 -4.636 131 1HB HIS 17 1HB HIS 17 -3.334 26.163 -5.232 132 2HB HIS 17 2HB HIS 17 -4.165 25.419 -6.593 133 HD1 HIS 17 HD1 HIS 17 -4.038 25.051 -2.811 134 HD2 HIS 17 HD2 HIS 17 -6.667 24.581 -5.991 135 HE1 HIS 17 HE1 HIS 17 -6.249 24.457 -1.771 136 HE2 HIS 17 HE2 HIS 17 -7.804 24.090 -3.720 137 H PHE 18 H PHE 18 -1.969 23.403 -7.934 138 HA PHE 18 HA PHE 18 -2.444 21.760 -9.420 139 1HB PHE 18 1HB PHE 18 -3.365 20.253 -6.968 140 2HB PHE 18 2HB PHE 18 -3.040 19.541 -8.544 141 HD1 PHE 18 HD1 PHE 18 -1.651 20.584 -5.415 142 HD2 PHE 18 HD2 PHE 18 -0.689 19.656 -9.454 143 HE1 PHE 18 HE1 PHE 18 0.705 20.273 -4.778 144 HE2 PHE 18 HE2 PHE 18 1.668 19.341 -8.827 145 HZ PHE 18 HZ PHE 18 2.370 19.646 -6.492 146 H SER 19 H SER 19 -5.075 20.768 -7.296 147 HA SER 19 HA SER 19 -6.969 21.560 -9.402 148 1HB SER 19 1HB SER 19 -7.426 19.548 -7.202 149 2HB SER 19 2HB SER 19 -8.423 19.828 -8.629 150 HG SER 19 HG SER 19 -5.960 19.330 -9.456 151 H VAL 20 H VAL 20 -8.421 23.093 -9.013 152 HA VAL 20 HA VAL 20 -8.509 24.327 -6.390 153 HB VAL 20 HB VAL 20 -10.019 25.121 -8.881 154 1HG1 VAL 20 1HG1 VAL 20 -10.125 27.324 -7.796 155 2HG1 VAL 20 2HG1 VAL 20 -9.335 26.647 -6.373 156 3HG1 VAL 20 3HG1 VAL 20 -10.934 26.076 -6.847 157 1HG2 VAL 20 1HG2 VAL 20 -7.628 25.097 -9.333 158 2HG2 VAL 20 2HG2 VAL 20 -7.333 26.078 -7.898 159 3HG2 VAL 20 3HG2 VAL 20 -8.231 26.752 -9.258 160 H SER 21 H SER 21 -10.018 23.960 -4.907 161 HA SER 21 HA SER 21 -12.610 22.858 -5.758 162 1HB SER 21 1HB SER 21 -10.984 21.947 -3.370 163 2HB SER 21 2HB SER 21 -12.617 21.403 -3.759 164 HG SER 21 HG SER 21 -11.464 20.898 -5.916 165 H SER 22 H SER 22 -14.398 23.575 -4.646 166 HA SER 22 HA SER 22 -13.909 25.749 -2.719 167 1HB SER 22 1HB SER 22 -16.239 25.382 -4.620 168 2HB SER 22 2HB SER 22 -16.062 26.704 -3.465 169 HG SER 22 HG SER 22 -15.276 26.833 -5.848 170 H LEU 23 H LEU 23 -14.809 22.627 -2.813 171 HA LEU 23 HA LEU 23 -16.501 22.924 -0.429 172 1HB LEU 23 1HB LEU 23 -17.704 22.292 -2.658 173 2HB LEU 23 2HB LEU 23 -16.999 20.710 -2.391 174 HG LEU 23 HG LEU 23 -19.304 20.802 -1.600 175 1HD1 LEU 23 1HD1 LEU 23 -18.989 19.919 0.618 176 2HD1 LEU 23 2HD1 LEU 23 -17.395 20.665 0.727 177 3HD1 LEU 23 3HD1 LEU 23 -17.681 19.361 -0.426 178 1HD2 LEU 23 1HD2 LEU 23 -20.011 22.249 0.166 179 2HD2 LEU 23 2HD2 LEU 23 -19.283 23.236 -1.104 180 3HD2 LEU 23 3HD2 LEU 23 -18.376 22.882 0.367 181 H ALA 24 H ALA 24 -14.634 20.610 -2.389 182 HA ALA 24 HA ALA 24 -14.132 18.914 -0.110 183 1HB ALA 24 1HB ALA 24 -14.434 17.964 -2.350 184 2HB ALA 24 2HB ALA 24 -12.866 17.538 -1.664 185 3HB ALA 24 3HB ALA 24 -12.977 18.796 -2.894 186 H GLU 25 H GLU 25 -13.123 21.757 -0.201 187 HA GLU 25 HA GLU 25 -10.288 21.645 -0.439 188 1HB GLU 25 1HB GLU 25 -11.680 23.721 -0.655 189 2HB GLU 25 2HB GLU 25 -11.938 23.665 1.084 190 1HG GLU 25 1HG GLU 25 -10.183 25.245 0.458 191 2HG GLU 25 2HG GLU 25 -9.572 23.947 1.482 192 H GLY 26 H GLY 26 -12.345 20.354 1.827 193 1HA GLY 26 1HA GLY 26 -10.163 19.786 3.626 194 2HA GLY 26 2HA GLY 26 -11.393 20.831 4.322 195 H SER 27 H SER 27 -11.522 17.947 2.220 196 HA SER 27 HA SER 27 -12.628 16.300 4.271 197 1HB SER 27 1HB SER 27 -14.614 17.660 3.826 198 2HB SER 27 2HB SER 27 -14.508 17.279 2.107 199 HG SER 27 HG SER 27 -15.723 15.646 2.616 200 H VAL 28 H VAL 28 -11.267 16.822 1.261 201 HA VAL 28 HA VAL 28 -11.765 14.088 0.323 202 HB VAL 28 HB VAL 28 -12.009 16.003 -1.268 203 1HG1 VAL 28 1HG1 VAL 28 -10.053 17.093 -2.157 204 2HG1 VAL 28 2HG1 VAL 28 -9.009 16.155 -1.091 205 3HG1 VAL 28 3HG1 VAL 28 -10.123 17.340 -0.412 206 1HG2 VAL 28 1HG2 VAL 28 -9.901 13.968 -1.963 207 2HG2 VAL 28 2HG2 VAL 28 -10.859 14.897 -3.116 208 3HG2 VAL 28 3HG2 VAL 28 -11.644 13.726 -2.058 209 H THR 29 H THR 29 -9.269 16.187 1.539 210 HA THR 29 HA THR 29 -7.025 14.722 0.772 211 HB THR 29 HB THR 29 -5.852 15.840 2.654 212 HG1 THR 29 HG1 THR 29 -7.025 16.485 4.283 213 1HG2 THR 29 1HG2 THR 29 -6.148 18.118 1.844 214 2HG2 THR 29 2HG2 THR 29 -7.674 17.667 1.083 215 3HG2 THR 29 3HG2 THR 29 -6.159 16.982 0.495 216 H SER 30 H SER 30 -9.398 14.100 3.186 217 HA SER 30 HA SER 30 -7.701 12.071 4.451 218 1HB SER 30 1HB SER 30 -8.683 13.535 6.053 219 2HB SER 30 2HB SER 30 -10.283 13.352 5.335 220 HG SER 30 HG SER 30 -10.169 11.120 5.950 221 H VAL 31 H VAL 31 -7.918 10.023 3.861 222 HA VAL 31 HA VAL 31 -9.956 9.160 2.069 223 HB VAL 31 HB VAL 31 -8.119 7.387 3.674 224 1HG1 VAL 31 1HG1 VAL 31 -8.363 5.929 1.647 225 2HG1 VAL 31 2HG1 VAL 31 -9.619 7.039 1.088 226 3HG1 VAL 31 3HG1 VAL 31 -9.838 6.141 2.591 227 1HG2 VAL 31 1HG2 VAL 31 -6.553 7.530 1.797 228 2HG2 VAL 31 2HG2 VAL 31 -6.800 9.106 2.549 229 3HG2 VAL 31 3HG2 VAL 31 -7.592 8.726 1.021 230 H GLY 32 H GLY 32 -11.851 8.151 2.445 231 1HA GLY 32 1HA GLY 32 -12.789 8.019 5.185 232 2HA GLY 32 2HA GLY 32 -13.747 7.745 3.739 233 H SER 33 H SER 33 -10.717 6.107 4.346 234 HA SER 33 HA SER 33 -12.154 3.664 5.094 235 1HB SER 33 1HB SER 33 -10.072 3.827 2.901 236 2HB SER 33 2HB SER 33 -10.820 2.345 3.498 237 HG SER 33 HG SER 33 -11.790 4.220 1.757 238 H VAL 34 H VAL 34 -10.883 2.103 6.198 239 HA VAL 34 HA VAL 34 -8.835 3.271 7.841 240 HB VAL 34 HB VAL 34 -10.483 1.667 8.751 241 1HG1 VAL 34 1HG1 VAL 34 -10.645 0.185 6.817 242 2HG1 VAL 34 2HG1 VAL 34 -10.261 -0.718 8.283 243 3HG1 VAL 34 3HG1 VAL 34 -8.997 -0.374 7.102 244 1HG2 VAL 34 1HG2 VAL 34 -8.891 0.325 10.061 245 2HG2 VAL 34 2HG2 VAL 34 -8.386 2.010 9.923 246 3HG2 VAL 34 3HG2 VAL 34 -7.608 0.772 8.935 247 H ASN 35 H ASN 35 -8.955 1.261 5.027 248 HA ASN 35 HA ASN 35 -6.042 1.305 4.868 249 1HB ASN 35 1HB ASN 35 -7.066 -0.914 5.878 250 2HB ASN 35 2HB ASN 35 -7.391 -1.273 4.184 251 1HD2 ASN 35 1HD2 ASN 35 -5.056 0.133 3.216 252 2HD2 ASN 35 2HD2 ASN 35 -3.693 -0.851 3.608 253 HA PRO 36 HA PRO 36 -7.573 2.263 0.752 254 1HB PRO 36 1HB PRO 36 -5.296 3.234 -0.273 255 2HB PRO 36 2HB PRO 36 -6.254 4.157 0.892 256 1HG PRO 36 1HG PRO 36 -3.785 2.522 1.331 257 2HG PRO 36 2HG PRO 36 -4.203 4.119 1.984 258 1HD PRO 36 1HD PRO 36 -4.484 1.786 3.379 259 2HD PRO 36 2HD PRO 36 -5.470 3.232 3.674 260 H ALA 37 H ALA 37 -5.283 0.025 1.781 261 HA ALA 37 HA ALA 37 -4.631 -1.012 -0.844 262 1HB ALA 37 1HB ALA 37 -3.336 -2.688 0.416 263 2HB ALA 37 2HB ALA 37 -3.936 -1.987 1.920 264 3HB ALA 37 3HB ALA 37 -2.913 -1.032 0.848 265 H GLU 38 H GLU 38 -6.562 -1.951 1.970 266 HA GLU 38 HA GLU 38 -7.220 -4.529 1.333 267 1HB GLU 38 1HB GLU 38 -8.974 -4.382 2.834 268 2HB GLU 38 2HB GLU 38 -7.888 -3.112 3.374 269 1HG GLU 38 1HG GLU 38 -9.264 -1.447 2.224 270 2HG GLU 38 2HG GLU 38 -10.362 -2.723 1.700 271 H ASN 39 H ASN 39 -8.593 -1.599 -0.114 272 HA ASN 39 HA ASN 39 -10.727 -2.866 -1.438 273 1HB ASN 39 1HB ASN 39 -10.332 -0.945 -3.170 274 2HB ASN 39 2HB ASN 39 -10.878 -0.548 -1.544 275 1HD2 ASN 39 1HD2 ASN 39 -8.158 -0.578 -3.726 276 2HD2 ASN 39 2HD2 ASN 39 -7.199 0.562 -2.851 277 H PHE 40 H PHE 40 -7.416 -2.131 -2.556 278 HA PHE 40 HA PHE 40 -7.507 -3.366 -5.023 279 1HB PHE 40 1HB PHE 40 -5.275 -2.958 -5.033 280 2HB PHE 40 2HB PHE 40 -5.471 -2.320 -3.406 281 HD1 PHE 40 HD1 PHE 40 -5.078 -5.624 -5.091 282 HD2 PHE 40 HD2 PHE 40 -4.049 -3.158 -1.790 283 HE1 PHE 40 HE1 PHE 40 -3.644 -7.409 -4.225 284 HE2 PHE 40 HE2 PHE 40 -2.592 -4.938 -0.913 285 HZ PHE 40 HZ PHE 40 -2.392 -7.076 -2.123 286 H ARG 41 H ARG 41 -6.803 -4.718 -1.851 287 HA ARG 41 HA ARG 41 -6.380 -7.360 -2.522 288 1HB ARG 41 1HB ARG 41 -7.365 -5.956 -0.095 289 2HB ARG 41 2HB ARG 41 -7.467 -7.715 -0.156 290 1HG ARG 41 1HG ARG 41 -5.178 -7.967 -0.158 291 2HG ARG 41 2HG ARG 41 -4.904 -6.340 -0.783 292 1HD ARG 41 1HD ARG 41 -5.540 -5.359 1.311 293 2HD ARG 41 2HD ARG 41 -6.016 -6.943 1.939 294 HE ARG 41 HE ARG 41 -3.349 -7.148 1.234 295 1HH1 ARG 41 1HH1 ARG 41 -5.274 -5.272 3.450 296 2HH1 ARG 41 2HH1 ARG 41 -4.004 -5.104 4.614 297 1HH2 ARG 41 1HH2 ARG 41 -1.670 -6.935 2.761 298 2HH2 ARG 41 2HH2 ARG 41 -1.953 -6.050 4.223 299 H VAL 42 H VAL 42 -9.391 -5.607 -2.025 300 HA VAL 42 HA VAL 42 -11.126 -7.806 -2.063 301 HB VAL 42 HB VAL 42 -11.502 -4.901 -2.729 302 1HG1 VAL 42 1HG1 VAL 42 -13.928 -5.362 -3.029 303 2HG1 VAL 42 2HG1 VAL 42 -13.550 -7.083 -3.105 304 3HG1 VAL 42 3HG1 VAL 42 -12.923 -5.987 -4.337 305 1HG2 VAL 42 1HG2 VAL 42 -12.807 -6.695 -0.690 306 2HG2 VAL 42 2HG2 VAL 42 -12.952 -4.940 -0.804 307 3HG2 VAL 42 3HG2 VAL 42 -11.404 -5.672 -0.380 308 H LEU 43 H LEU 43 -9.803 -5.797 -4.684 309 HA LEU 43 HA LEU 43 -11.224 -7.157 -6.732 310 1HB LEU 43 1HB LEU 43 -8.641 -5.614 -6.933 311 2HB LEU 43 2HB LEU 43 -9.628 -6.128 -8.292 312 HG LEU 43 HG LEU 43 -11.460 -4.754 -6.840 313 1HD1 LEU 43 1HD1 LEU 43 -10.581 -3.280 -5.452 314 2HD1 LEU 43 2HD1 LEU 43 -9.400 -2.752 -6.655 315 3HD1 LEU 43 3HD1 LEU 43 -9.053 -4.144 -5.627 316 1HD2 LEU 43 1HD2 LEU 43 -10.978 -4.539 -9.245 317 2HD2 LEU 43 2HD2 LEU 43 -9.563 -3.559 -8.855 318 3HD2 LEU 43 3HD2 LEU 43 -11.178 -2.974 -8.454 319 H VAL 44 H VAL 44 -8.013 -7.722 -5.294 320 HA VAL 44 HA VAL 44 -7.353 -9.751 -7.196 321 HB VAL 44 HB VAL 44 -5.427 -10.267 -5.915 322 1HG1 VAL 44 1HG1 VAL 44 -4.310 -8.172 -5.770 323 2HG1 VAL 44 2HG1 VAL 44 -5.839 -7.312 -5.566 324 3HG1 VAL 44 3HG1 VAL 44 -5.459 -8.083 -7.108 325 1HG2 VAL 44 1HG2 VAL 44 -6.377 -10.450 -3.710 326 2HG2 VAL 44 2HG2 VAL 44 -6.636 -8.707 -3.640 327 3HG2 VAL 44 3HG2 VAL 44 -4.993 -9.356 -3.682 328 H LYS 45 H LYS 45 -9.118 -9.691 -4.219 329 HA LYS 45 HA LYS 45 -9.045 -12.597 -3.981 330 1HB LYS 45 1HB LYS 45 -9.982 -12.352 -1.840 331 2HB LYS 45 2HB LYS 45 -8.875 -10.994 -1.990 332 1HG LYS 45 1HG LYS 45 -10.736 -9.514 -2.501 333 2HG LYS 45 2HG LYS 45 -11.857 -10.872 -2.394 334 1HD LYS 45 1HD LYS 45 -11.963 -9.699 -0.322 335 2HD LYS 45 2HD LYS 45 -11.089 -11.204 -0.032 336 1HE LYS 45 1HE LYS 45 -8.964 -9.989 -0.188 337 2HE LYS 45 2HE LYS 45 -9.847 -8.488 -0.460 338 1HZ LYS 45 1HZ LYS 45 -9.958 -10.163 1.990 339 2HZ LYS 45 2HZ LYS 45 -10.870 -8.763 1.730 340 3HZ LYS 45 3HZ LYS 45 -9.186 -8.665 1.836 341 H GLN 46 H GLN 46 -10.992 -10.142 -5.334 342 HA GLN 46 HA GLN 46 -13.295 -11.963 -5.511 343 1HB GLN 46 1HB GLN 46 -13.196 -8.969 -5.912 344 2HB GLN 46 2HB GLN 46 -14.637 -9.968 -6.064 345 1HG GLN 46 1HG GLN 46 -13.016 -9.604 -3.560 346 2HG GLN 46 2HG GLN 46 -14.532 -8.784 -3.921 347 1HE2 GLN 46 1HE2 GLN 46 -13.854 -10.569 -1.716 348 2HE2 GLN 46 2HE2 GLN 46 -14.982 -11.875 -1.791 349 H LYS 47 H LYS 47 -14.537 -10.619 -7.679 350 HA LYS 47 HA LYS 47 -12.897 -11.634 -9.883 351 1HB LYS 47 1HB LYS 47 -14.945 -11.682 -11.163 352 2HB LYS 47 2HB LYS 47 -15.235 -12.445 -9.604 353 1HG LYS 47 1HG LYS 47 -16.317 -10.443 -8.784 354 2HG LYS 47 2HG LYS 47 -15.958 -9.602 -10.293 355 1HD LYS 47 1HD LYS 47 -17.512 -12.160 -10.332 356 2HD LYS 47 2HD LYS 47 -18.317 -10.646 -9.920 357 1HE LYS 47 1HE LYS 47 -18.565 -11.086 -12.283 358 2HE LYS 47 2HE LYS 47 -17.531 -9.678 -12.044 359 1HZ LYS 47 1HZ LYS 47 -16.692 -11.211 -13.749 360 2HZ LYS 47 2HZ LYS 47 -16.543 -12.428 -12.583 361 3HZ LYS 47 3HZ LYS 47 -15.604 -11.026 -12.468 362 H LYS 48 H LYS 48 -13.610 -8.748 -8.390 363 HA LYS 48 HA LYS 48 -14.165 -6.869 -10.270 364 1HB LYS 48 1HB LYS 48 -12.781 -6.906 -7.716 365 2HB LYS 48 2HB LYS 48 -12.178 -5.648 -8.780 366 1HG LYS 48 1HG LYS 48 -13.880 -4.652 -7.511 367 2HG LYS 48 2HG LYS 48 -14.582 -4.944 -9.104 368 1HD LYS 48 1HD LYS 48 -16.211 -5.604 -7.512 369 2HD LYS 48 2HD LYS 48 -15.519 -7.090 -8.168 370 1HE LYS 48 1HE LYS 48 -14.079 -7.299 -6.218 371 2HE LYS 48 2HE LYS 48 -14.709 -5.785 -5.571 372 1HZ LYS 48 1HZ LYS 48 -15.764 -7.703 -4.543 373 2HZ LYS 48 2HZ LYS 48 -16.298 -8.250 -6.051 374 3HZ LYS 48 3HZ LYS 48 -16.896 -6.799 -5.420 375 H ALA 49 H ALA 49 -10.769 -7.068 -9.265 376 HA ALA 49 HA ALA 49 -10.002 -6.906 -12.111 377 1HB ALA 49 1HB ALA 49 -8.661 -5.468 -9.834 378 2HB ALA 49 2HB ALA 49 -9.773 -4.732 -10.989 379 3HB ALA 49 3HB ALA 49 -8.229 -5.381 -11.542 380 H SER 50 H SER 50 -7.490 -7.196 -12.234 381 HA SER 50 HA SER 50 -6.924 -9.793 -11.041 382 1HB SER 50 1HB SER 50 -4.946 -9.724 -12.636 383 2HB SER 50 2HB SER 50 -6.541 -9.723 -13.400 384 HG SER 50 HG SER 50 -6.339 -7.515 -13.737 385 H PHE 51 H PHE 51 -4.538 -10.124 -10.443 386 HA PHE 51 HA PHE 51 -3.937 -8.458 -8.252 387 1HB PHE 51 1HB PHE 51 -3.298 -10.910 -8.659 388 2HB PHE 51 2HB PHE 51 -1.956 -10.282 -9.612 389 HD1 PHE 51 HD1 PHE 51 0.055 -9.937 -8.543 390 HD2 PHE 51 HD2 PHE 51 -3.527 -9.898 -6.268 391 HE1 PHE 51 HE1 PHE 51 1.370 -9.693 -6.485 392 HE2 PHE 51 HE2 PHE 51 -2.228 -9.644 -4.203 393 HZ PHE 51 HZ PHE 51 0.224 -9.545 -4.307 394 H GLU 52 H GLU 52 -3.406 -8.004 -11.557 395 HA GLU 52 HA GLU 52 -1.106 -6.255 -11.174 396 1HB GLU 52 1HB GLU 52 -0.776 -6.360 -13.445 397 2HB GLU 52 2HB GLU 52 -1.611 -7.880 -13.173 398 1HG GLU 52 1HG GLU 52 -3.691 -6.915 -13.935 399 2HG GLU 52 2HG GLU 52 -2.910 -5.349 -14.146 400 H GLU 53 H GLU 53 -4.425 -5.887 -12.475 401 HA GLU 53 HA GLU 53 -4.344 -3.071 -12.652 402 1HB GLU 53 1HB GLU 53 -6.123 -4.154 -13.799 403 2HB GLU 53 2HB GLU 53 -6.606 -5.048 -12.365 404 1HG GLU 53 1HG GLU 53 -7.588 -3.188 -11.376 405 2HG GLU 53 2HG GLU 53 -6.756 -2.065 -12.456 406 H ALA 54 H ALA 54 -5.541 -5.231 -10.116 407 HA ALA 54 HA ALA 54 -6.475 -3.378 -8.316 408 1HB ALA 54 1HB ALA 54 -4.903 -5.793 -7.461 409 2HB ALA 54 2HB ALA 54 -6.510 -5.923 -8.175 410 3HB ALA 54 3HB ALA 54 -6.289 -5.040 -6.662 411 H SER 55 H SER 55 -3.132 -4.473 -8.848 412 HA SER 55 HA SER 55 -2.016 -2.922 -6.763 413 1HB SER 55 1HB SER 55 -0.124 -3.020 -8.873 414 2HB SER 55 2HB SER 55 -0.165 -4.011 -7.415 415 HG SER 55 HG SER 55 -1.889 -5.167 -8.855 416 H ASN 56 H ASN 56 -2.358 -2.472 -10.213 417 HA ASN 56 HA ASN 56 -1.185 -0.076 -10.570 418 1HB ASN 56 1HB ASN 56 -3.440 -1.503 -11.873 419 2HB ASN 56 2HB ASN 56 -3.269 0.200 -12.277 420 1HD2 ASN 56 1HD2 ASN 56 -2.693 -0.214 -14.387 421 2HD2 ASN 56 2HD2 ASN 56 -1.164 -0.892 -14.824 422 H GLN 57 H GLN 57 -4.475 -0.640 -9.370 423 HA GLN 57 HA GLN 57 -5.045 2.162 -9.118 424 1HB GLN 57 1HB GLN 57 -6.825 0.463 -9.427 425 2HB GLN 57 2HB GLN 57 -6.434 -0.217 -7.853 426 1HG GLN 57 1HG GLN 57 -6.896 2.575 -7.552 427 2HG GLN 57 2HG GLN 57 -8.227 1.868 -8.467 428 1HE2 GLN 57 1HE2 GLN 57 -9.537 0.325 -7.500 429 2HE2 GLN 57 2HE2 GLN 57 -9.553 0.067 -5.791 430 H LEU 58 H LEU 58 -3.743 -0.361 -7.048 431 HA LEU 58 HA LEU 58 -3.945 1.058 -4.603 432 1HB LEU 58 1HB LEU 58 -3.320 -1.476 -5.158 433 2HB LEU 58 2HB LEU 58 -1.687 -0.851 -5.089 434 HG LEU 58 HG LEU 58 -3.626 -1.346 -2.890 435 1HD1 LEU 58 1HD1 LEU 58 -1.943 -2.553 -2.067 436 2HD1 LEU 58 2HD1 LEU 58 -0.786 -1.235 -2.277 437 3HD1 LEU 58 3HD1 LEU 58 -1.143 -2.316 -3.624 438 1HD2 LEU 58 1HD2 LEU 58 -1.664 0.942 -2.803 439 2HD2 LEU 58 2HD2 LEU 58 -2.527 0.281 -1.413 440 3HD2 LEU 58 3HD2 LEU 58 -3.420 1.065 -2.716 441 H ILE 59 H ILE 59 -1.171 0.656 -6.857 442 HA ILE 59 HA ILE 59 0.487 2.423 -5.362 443 HB ILE 59 HB ILE 59 0.826 1.844 -8.312 444 1HG1 ILE 59 1HG1 ILE 59 2.251 0.083 -6.448 445 2HG1 ILE 59 2HG1 ILE 59 0.505 -0.146 -6.436 446 1HG2 ILE 59 1HG2 ILE 59 2.764 2.399 -6.082 447 2HG2 ILE 59 2HG2 ILE 59 2.299 3.505 -7.375 448 3HG2 ILE 59 3HG2 ILE 59 3.201 2.037 -7.752 449 1HD1 ILE 59 1HD1 ILE 59 0.518 -0.556 -8.820 450 2HD1 ILE 59 2HD1 ILE 59 1.634 -1.646 -7.996 451 3HD1 ILE 59 3HD1 ILE 59 2.253 -0.252 -8.881 452 H ASN 60 H ASN 60 -1.739 2.737 -8.098 453 HA ASN 60 HA ASN 60 -1.136 5.350 -8.898 454 1HB ASN 60 1HB ASN 60 -3.510 3.580 -9.118 455 2HB ASN 60 2HB ASN 60 -3.763 5.295 -9.404 456 1HD2 ASN 60 1HD2 ASN 60 -4.216 5.006 -11.570 457 2HD2 ASN 60 2HD2 ASN 60 -3.004 4.582 -12.726 458 H HIS 61 H HIS 61 -3.404 4.125 -6.468 459 HA HIS 61 HA HIS 61 -4.398 6.627 -5.648 460 1HB HIS 61 1HB HIS 61 -5.711 5.146 -4.570 461 2HB HIS 61 2HB HIS 61 -4.514 3.865 -4.764 462 HD1 HIS 61 HD1 HIS 61 -2.659 3.732 -2.888 463 HD2 HIS 61 HD2 HIS 61 -5.905 6.170 -2.055 464 HE1 HIS 61 HE1 HIS 61 -2.575 4.133 -0.424 465 HE2 HIS 61 HE2 HIS 61 -4.471 5.723 0.051 466 H ILE 62 H ILE 62 -1.641 4.680 -4.732 467 HA ILE 62 HA ILE 62 -0.676 6.314 -2.650 468 HB ILE 62 HB ILE 62 0.764 4.399 -4.487 469 1HG1 ILE 62 1HG1 ILE 62 -1.030 3.523 -2.959 470 2HG1 ILE 62 2HG1 ILE 62 0.564 2.821 -2.725 471 1HG2 ILE 62 1HG2 ILE 62 2.410 5.913 -3.674 472 2HG2 ILE 62 2HG2 ILE 62 2.545 4.431 -2.726 473 3HG2 ILE 62 3HG2 ILE 62 1.748 5.849 -2.040 474 1HD1 ILE 62 1HD1 ILE 62 -0.560 3.262 -0.613 475 2HD1 ILE 62 2HD1 ILE 62 -0.673 4.974 -1.027 476 3HD1 ILE 62 3HD1 ILE 62 0.906 4.228 -0.774 477 H GLU 63 H GLU 63 -0.517 6.522 -6.113 478 HA GLU 63 HA GLU 63 1.647 8.393 -6.212 479 1HB GLU 63 1HB GLU 63 -0.441 7.558 -8.226 480 2HB GLU 63 2HB GLU 63 0.743 8.812 -8.568 481 1HG GLU 63 1HG GLU 63 2.550 7.233 -8.227 482 2HG GLU 63 2HG GLU 63 1.391 5.971 -7.811 483 H GLN 64 H GLN 64 -1.886 8.584 -6.191 484 HA GLN 64 HA GLN 64 -2.151 11.348 -6.543 485 1HB GLN 64 1HB GLN 64 -3.848 9.527 -4.812 486 2HB GLN 64 2HB GLN 64 -4.316 11.121 -5.389 487 1HG GLN 64 1HG GLN 64 -4.165 10.286 -7.707 488 2HG GLN 64 2HG GLN 64 -3.809 8.680 -7.073 489 1HE2 GLN 64 1HE2 GLN 64 -6.231 11.133 -7.482 490 2HE2 GLN 64 2HE2 GLN 64 -7.591 10.146 -7.083 491 H PHE 65 H PHE 65 -1.828 9.391 -3.593 492 HA PHE 65 HA PHE 65 -1.679 11.533 -1.785 493 1HB PHE 65 1HB PHE 65 -1.675 9.731 -0.421 494 2HB PHE 65 2HB PHE 65 -1.138 8.672 -1.721 495 HD1 PHE 65 HD1 PHE 65 0.826 7.553 -1.370 496 HD2 PHE 65 HD2 PHE 65 0.278 11.385 0.398 497 HE1 PHE 65 HE1 PHE 65 3.002 7.345 -0.248 498 HE2 PHE 65 HE2 PHE 65 2.450 11.178 1.518 499 HZ PHE 65 HZ PHE 65 3.917 9.242 0.986 500 H LEU 66 H LEU 66 0.931 9.691 -3.386 501 HA LEU 66 HA LEU 66 3.049 11.224 -2.444 502 1HB LEU 66 1HB LEU 66 2.710 9.520 -4.893 503 2HB LEU 66 2HB LEU 66 4.202 10.414 -4.616 504 HG LEU 66 HG LEU 66 3.030 8.349 -2.740 505 1HD1 LEU 66 1HD1 LEU 66 5.538 8.085 -4.356 506 2HD1 LEU 66 2HD1 LEU 66 3.972 7.546 -4.961 507 3HD1 LEU 66 3HD1 LEU 66 4.644 6.834 -3.493 508 1HD2 LEU 66 1HD2 LEU 66 5.031 8.556 -1.453 509 2HD2 LEU 66 2HD2 LEU 66 4.369 10.180 -1.664 510 3HD2 LEU 66 3HD2 LEU 66 5.745 9.656 -2.635 511 H ASP 67 H ASP 67 0.607 12.006 -4.677 512 HA ASP 67 HA ASP 67 2.075 14.080 -6.018 513 1HB ASP 67 1HB ASP 67 0.085 12.971 -7.055 514 2HB ASP 67 2HB ASP 67 -0.926 13.719 -5.825 515 H THR 68 H THR 68 -0.161 13.769 -3.308 516 HA THR 68 HA THR 68 -0.303 16.532 -2.677 517 HB THR 68 HB THR 68 -1.781 14.569 -1.770 518 HG1 THR 68 HG1 THR 68 -1.933 16.851 -1.221 519 1HG2 THR 68 1HG2 THR 68 0.607 13.945 -0.441 520 2HG2 THR 68 2HG2 THR 68 -0.986 13.245 -0.162 521 3HG2 THR 68 3HG2 THR 68 -0.456 14.637 0.782 522 H ASN 69 H ASN 69 0.429 17.034 -0.188 523 HA ASN 69 HA ASN 69 3.338 16.552 -0.168 524 1HB ASN 69 1HB ASN 69 1.702 18.934 0.687 525 2HB ASN 69 2HB ASN 69 3.396 18.736 1.149 526 1HD2 ASN 69 1HD2 ASN 69 4.051 17.433 -1.406 527 2HD2 ASN 69 2HD2 ASN 69 4.107 18.703 -2.576 528 H GLU 70 H GLU 70 0.640 15.554 1.311 529 HA GLU 70 HA GLU 70 1.414 15.758 4.077 530 1HB GLU 70 1HB GLU 70 -0.632 13.826 3.038 531 2HB GLU 70 2HB GLU 70 -0.612 14.703 4.562 532 1HG GLU 70 1HG GLU 70 -0.861 16.201 1.996 533 2HG GLU 70 2HG GLU 70 -2.265 15.380 2.676 534 H THR 71 H THR 71 2.116 14.050 5.432 535 HA THR 71 HA THR 71 3.315 11.810 3.964 536 HB THR 71 HB THR 71 4.790 11.500 5.957 537 HG1 THR 71 HG1 THR 71 3.445 13.878 6.692 538 1HG2 THR 71 1HG2 THR 71 4.969 14.126 4.469 539 2HG2 THR 71 2HG2 THR 71 5.573 12.565 3.909 540 3HG2 THR 71 3HG2 THR 71 6.297 13.337 5.322 541 HA PRO 72 HA PRO 72 0.693 10.171 7.985 542 1HB PRO 72 1HB PRO 72 -1.588 10.813 6.141 543 2HB PRO 72 2HB PRO 72 -1.607 10.624 7.892 544 1HG PRO 72 1HG PRO 72 -1.620 13.038 6.774 545 2HG PRO 72 2HG PRO 72 -0.687 12.729 8.252 546 1HD PRO 72 1HD PRO 72 0.253 13.188 5.490 547 2HD PRO 72 2HD PRO 72 1.102 13.439 7.026 548 H TYR 73 H TYR 73 0.220 10.371 4.575 549 HA TYR 73 HA TYR 73 -0.500 7.602 4.242 550 1HB TYR 73 1HB TYR 73 -0.146 9.816 2.221 551 2HB TYR 73 2HB TYR 73 -0.922 8.255 1.943 552 HD1 TYR 73 HD1 TYR 73 -2.673 7.844 4.158 553 HD2 TYR 73 HD2 TYR 73 -1.719 11.488 2.180 554 HE1 TYR 73 HE1 TYR 73 -4.821 8.795 4.886 555 HE2 TYR 73 HE2 TYR 73 -3.863 12.450 2.906 556 HH TYR 73 HH TYR 73 -6.113 11.615 3.590 557 H PHE 74 H PHE 74 2.478 9.396 4.183 558 HA PHE 74 HA PHE 74 3.724 7.781 2.209 559 1HB PHE 74 1HB PHE 74 5.606 9.024 2.449 560 2HB PHE 74 2HB PHE 74 4.430 10.130 3.106 561 HD1 PHE 74 HD1 PHE 74 7.570 9.965 3.482 562 HD2 PHE 74 HD2 PHE 74 4.224 8.774 5.814 563 HE1 PHE 74 HE1 PHE 74 8.925 10.154 5.523 564 HE2 PHE 74 HE2 PHE 74 5.571 8.972 7.858 565 HZ PHE 74 HZ PHE 74 8.103 9.919 7.555 566 H MET 75 H MET 75 3.608 7.525 5.736 567 HA MET 75 HA MET 75 5.237 5.146 5.731 568 1HB MET 75 1HB MET 75 3.769 5.060 8.080 569 2HB MET 75 2HB MET 75 5.357 5.788 7.892 570 1HG MET 75 1HG MET 75 4.534 7.912 7.842 571 2HG MET 75 2HG MET 75 2.927 7.426 7.321 572 1HE MET 75 1HE MET 75 4.572 6.988 11.613 573 2HE MET 75 2HE MET 75 5.440 7.765 10.286 574 3HE MET 75 3HE MET 75 5.172 6.021 10.266 575 H LYS 76 H LYS 76 1.870 6.023 5.746 576 HA LYS 76 HA LYS 76 0.795 3.415 5.927 577 1HB LYS 76 1HB LYS 76 -0.457 5.526 6.348 578 2HB LYS 76 2HB LYS 76 -0.377 5.874 4.637 579 1HG LYS 76 1HG LYS 76 -1.456 3.303 4.862 580 2HG LYS 76 2HG LYS 76 -2.260 4.309 6.071 581 1HD LYS 76 1HD LYS 76 -3.487 4.453 4.010 582 2HD LYS 76 2HD LYS 76 -2.690 5.995 4.305 583 1HE LYS 76 1HE LYS 76 -1.347 3.907 2.658 584 2HE LYS 76 2HE LYS 76 -2.600 4.934 1.961 585 1HZ LYS 76 1HZ LYS 76 -0.054 5.813 3.162 586 2HZ LYS 76 2HZ LYS 76 -1.294 6.861 2.698 587 3HZ LYS 76 3HZ LYS 76 -0.506 5.920 1.537 588 H SER 77 H SER 77 2.223 5.307 3.405 589 HA SER 77 HA SER 77 1.228 3.840 1.175 590 1HB SER 77 1HB SER 77 2.663 5.095 -0.137 591 2HB SER 77 2HB SER 77 2.629 6.135 1.288 592 HG SER 77 HG SER 77 4.592 4.213 0.612 593 H ILE 78 H ILE 78 4.181 3.789 3.115 594 HA ILE 78 HA ILE 78 5.447 1.615 1.973 595 HB ILE 78 HB ILE 78 5.847 3.151 4.268 596 1HG1 ILE 78 1HG1 ILE 78 7.983 1.903 4.427 597 2HG1 ILE 78 2HG1 ILE 78 7.345 0.716 3.289 598 1HG2 ILE 78 1HG2 ILE 78 4.496 1.520 5.549 599 2HG2 ILE 78 2HG2 ILE 78 6.170 1.625 6.099 600 3HG2 ILE 78 3HG2 ILE 78 5.649 0.260 5.106 601 1HD1 ILE 78 1HD1 ILE 78 7.435 2.169 1.519 602 2HD1 ILE 78 2HD1 ILE 78 8.862 2.634 2.451 603 3HD1 ILE 78 3HD1 ILE 78 7.384 3.599 2.557 604 H ASP 79 H ASP 79 2.850 1.778 4.334 605 HA ASP 79 HA ASP 79 2.620 -0.967 4.860 606 1HB ASP 79 1HB ASP 79 0.902 1.425 5.216 607 2HB ASP 79 2HB ASP 79 0.102 -0.138 5.292 608 H CYS 80 H CYS 80 1.079 1.073 2.376 609 HA CYS 80 HA CYS 80 -0.644 -0.894 1.337 610 1HB CYS 80 1HB CYS 80 -1.052 0.559 -0.395 611 2HB CYS 80 2HB CYS 80 -0.303 1.689 0.729 612 HG CYS 80 HG CYS 80 0.624 0.926 -2.300 613 H ILE 81 H ILE 81 2.670 0.030 0.548 614 HA ILE 81 HA ILE 81 3.194 -1.735 -1.518 615 HB ILE 81 HB ILE 81 4.897 -0.516 0.643 616 1HG1 ILE 81 1HG1 ILE 81 5.835 -0.204 -2.063 617 2HG1 ILE 81 2HG1 ILE 81 4.124 0.210 -1.965 618 1HG2 ILE 81 1HG2 ILE 81 6.876 -1.546 -0.660 619 2HG2 ILE 81 2HG2 ILE 81 5.695 -2.757 -1.158 620 3HG2 ILE 81 3HG2 ILE 81 6.038 -2.511 0.555 621 1HD1 ILE 81 1HD1 ILE 81 5.544 2.155 -1.631 622 2HD1 ILE 81 2HD1 ILE 81 6.318 1.364 -0.257 623 3HD1 ILE 81 3HD1 ILE 81 4.609 1.793 -0.181 624 H ARG 82 H ARG 82 3.415 -2.069 1.983 625 HA ARG 82 HA ARG 82 4.324 -4.700 2.194 626 1HB ARG 82 1HB ARG 82 2.976 -2.733 3.929 627 2HB ARG 82 2HB ARG 82 2.708 -4.408 4.384 628 1HG ARG 82 1HG ARG 82 4.544 -3.844 5.633 629 2HG ARG 82 2HG ARG 82 5.295 -4.577 4.215 630 1HD ARG 82 1HD ARG 82 5.779 -2.422 3.290 631 2HD ARG 82 2HD ARG 82 4.854 -1.614 4.549 632 HE ARG 82 HE ARG 82 6.680 -1.737 5.902 633 1HH1 ARG 82 1HH1 ARG 82 7.034 -4.105 3.372 634 2HH1 ARG 82 2HH1 ARG 82 8.640 -4.550 3.839 635 1HH2 ARG 82 1HH2 ARG 82 8.791 -2.318 6.525 636 2HH2 ARG 82 2HH2 ARG 82 9.639 -3.535 5.630 637 H ALA 83 H ALA 83 1.130 -3.334 1.715 638 HA ALA 83 HA ALA 83 -0.433 -5.607 2.187 639 1HB ALA 83 1HB ALA 83 -2.174 -4.499 0.965 640 2HB ALA 83 2HB ALA 83 -1.009 -3.436 0.175 641 3HB ALA 83 3HB ALA 83 -1.303 -3.288 1.909 642 H PHE 84 H PHE 84 0.949 -4.343 -0.840 643 HA PHE 84 HA PHE 84 0.086 -6.639 -2.333 644 1HB PHE 84 1HB PHE 84 1.061 -4.080 -2.998 645 2HB PHE 84 2HB PHE 84 2.216 -5.239 -3.664 646 HD1 PHE 84 HD1 PHE 84 1.550 -6.851 -5.327 647 HD2 PHE 84 HD2 PHE 84 -1.183 -4.008 -3.771 648 HE1 PHE 84 HE1 PHE 84 -0.022 -7.366 -7.143 649 HE2 PHE 84 HE2 PHE 84 -2.751 -4.519 -5.576 650 HZ PHE 84 HZ PHE 84 -2.182 -6.205 -7.257 651 H ARG 85 H ARG 85 2.717 -5.950 -0.320 652 HA ARG 85 HA ARG 85 4.655 -7.533 -1.605 653 1HB ARG 85 1HB ARG 85 4.361 -6.340 1.105 654 2HB ARG 85 2HB ARG 85 5.555 -7.614 0.895 655 1HG ARG 85 1HG ARG 85 6.665 -6.333 -0.829 656 2HG ARG 85 2HG ARG 85 5.432 -5.075 -0.719 657 1HD ARG 85 1HD ARG 85 7.530 -4.535 0.502 658 2HD ARG 85 2HD ARG 85 6.090 -4.539 1.521 659 HE ARG 85 HE ARG 85 6.825 -6.826 2.218 660 1HH1 ARG 85 1HH1 ARG 85 9.126 -4.502 1.008 661 2HH1 ARG 85 2HH1 ARG 85 10.462 -5.186 1.870 662 1HH2 ARG 85 1HH2 ARG 85 8.580 -7.730 3.354 663 2HH2 ARG 85 2HH2 ARG 85 10.153 -7.022 3.202 664 H GLU 86 H GLU 86 2.771 -8.206 1.347 665 HA GLU 86 HA GLU 86 3.503 -10.938 1.457 666 1HB GLU 86 1HB GLU 86 1.149 -9.548 2.743 667 2HB GLU 86 2HB GLU 86 1.788 -11.125 3.192 668 1HG GLU 86 1HG GLU 86 3.907 -10.071 3.832 669 2HG GLU 86 2HG GLU 86 3.235 -8.496 3.415 670 H GLU 87 H GLU 87 0.622 -9.282 0.207 671 HA GLU 87 HA GLU 87 -0.913 -11.561 -0.332 672 1HB GLU 87 1HB GLU 87 -0.868 -8.792 -1.487 673 2HB GLU 87 2HB GLU 87 -1.913 -10.021 -2.182 674 1HG GLU 87 1HG GLU 87 -1.961 -9.009 0.648 675 2HG GLU 87 2HG GLU 87 -3.150 -8.694 -0.609 676 H ALA 88 H ALA 88 1.664 -10.045 -2.194 677 HA ALA 88 HA ALA 88 1.169 -11.450 -4.596 678 1HB ALA 88 1HB ALA 88 2.511 -9.413 -4.502 679 2HB ALA 88 2HB ALA 88 3.368 -10.737 -5.290 680 3HB ALA 88 3HB ALA 88 3.774 -10.287 -3.633 681 H ILE 89 H ILE 89 3.165 -12.193 -1.769 682 HA ILE 89 HA ILE 89 4.507 -14.416 -2.805 683 HB ILE 89 HB ILE 89 4.539 -13.173 -0.393 684 1HG1 ILE 89 1HG1 ILE 89 6.356 -14.498 -1.367 685 2HG1 ILE 89 2HG1 ILE 89 6.115 -14.903 0.329 686 1HG2 ILE 89 1HG2 ILE 89 3.850 -14.737 1.348 687 2HG2 ILE 89 2HG2 ILE 89 3.189 -15.821 0.124 688 3HG2 ILE 89 3HG2 ILE 89 2.474 -14.228 0.368 689 1HD1 ILE 89 1HD1 ILE 89 5.173 -16.511 -2.033 690 2HD1 ILE 89 2HD1 ILE 89 4.893 -16.916 -0.339 691 3HD1 ILE 89 3HD1 ILE 89 6.536 -16.889 -0.979 692 H LYS 90 H LYS 90 1.275 -13.996 -1.572 693 HA LYS 90 HA LYS 90 0.665 -16.824 -1.671 694 1HB LYS 90 1HB LYS 90 -1.165 -14.478 -1.145 695 2HB LYS 90 2HB LYS 90 -1.543 -16.172 -0.871 696 1HG LYS 90 1HG LYS 90 0.614 -14.624 0.553 697 2HG LYS 90 2HG LYS 90 -0.989 -14.974 1.199 698 1HD LYS 90 1HD LYS 90 1.001 -17.079 0.354 699 2HD LYS 90 2HD LYS 90 0.796 -16.514 2.013 700 1HE LYS 90 1HE LYS 90 -1.343 -17.797 0.316 701 2HE LYS 90 2HE LYS 90 -0.425 -18.602 1.587 702 1HZ LYS 90 1HZ LYS 90 -2.255 -16.292 1.956 703 2HZ LYS 90 2HZ LYS 90 -1.350 -17.022 3.182 704 3HZ LYS 90 3HZ LYS 90 -2.571 -17.893 2.403 705 H PHE 91 H PHE 91 0.244 -13.964 -3.601 706 HA PHE 91 HA PHE 91 -1.642 -15.241 -5.395 707 1HB PHE 91 1HB PHE 91 -0.683 -12.487 -4.952 708 2HB PHE 91 2HB PHE 91 -1.133 -12.894 -6.613 709 HD1 PHE 91 HD1 PHE 91 -3.405 -13.406 -7.190 710 HD2 PHE 91 HD2 PHE 91 -2.334 -12.546 -3.163 711 HE1 PHE 91 HE1 PHE 91 -5.784 -13.170 -6.611 712 HE2 PHE 91 HE2 PHE 91 -4.709 -12.304 -2.577 713 HZ PHE 91 HZ PHE 91 -6.437 -12.619 -4.301 714 H SER 92 H SER 92 1.395 -15.839 -5.022 715 HA SER 92 HA SER 92 3.177 -16.452 -6.306 716 1HB SER 92 1HB SER 92 0.918 -17.225 -8.158 717 2HB SER 92 2HB SER 92 2.573 -17.825 -8.268 718 HG SER 92 HG SER 92 0.799 -19.029 -7.002 719 H GLU 93 H GLU 93 2.863 -13.741 -6.535 720 HA GLU 93 HA GLU 93 3.582 -13.308 -9.355 721 1HB GLU 93 1HB GLU 93 1.886 -11.577 -7.569 722 2HB GLU 93 2HB GLU 93 2.686 -10.935 -9.001 723 1HG GLU 93 1HG GLU 93 0.707 -13.203 -8.979 724 2HG GLU 93 2HG GLU 93 0.352 -11.535 -9.423 725 H GLU 94 H GLU 94 5.756 -13.397 -9.057 726 HA GLU 94 HA GLU 94 7.054 -11.914 -6.951 727 1HB GLU 94 1HB GLU 94 9.147 -12.734 -8.102 728 2HB GLU 94 2HB GLU 94 8.063 -13.986 -7.518 729 1HG GLU 94 1HG GLU 94 7.124 -14.101 -9.850 730 2HG GLU 94 2HG GLU 94 8.463 -13.066 -10.346 731 H GLN 95 H GLN 95 6.740 -11.669 -10.472 732 HA GLN 95 HA GLN 95 8.474 -9.487 -10.819 733 1HB GLN 95 1HB GLN 95 7.380 -9.176 -12.983 734 2HB GLN 95 2HB GLN 95 7.712 -10.876 -12.685 735 1HG GLN 95 1HG GLN 95 5.388 -11.240 -12.071 736 2HG GLN 95 2HG GLN 95 5.045 -9.529 -12.321 737 1HE2 GLN 95 1HE2 GLN 95 3.523 -9.930 -13.910 738 2HE2 GLN 95 2HE2 GLN 95 3.952 -10.481 -15.490 739 H ARG 96 H ARG 96 5.093 -9.666 -9.905 740 HA ARG 96 HA ARG 96 4.329 -7.024 -10.318 741 1HB ARG 96 1HB ARG 96 3.268 -9.294 -9.010 742 2HB ARG 96 2HB ARG 96 3.238 -7.987 -7.836 743 1HG ARG 96 1HG ARG 96 2.099 -7.711 -10.602 744 2HG ARG 96 2HG ARG 96 1.166 -8.299 -9.226 745 1HD ARG 96 1HD ARG 96 0.741 -5.960 -9.498 746 2HD ARG 96 2HD ARG 96 1.679 -6.200 -8.027 747 HE ARG 96 HE ARG 96 3.639 -5.464 -9.358 748 1HH1 ARG 96 1HH1 ARG 96 0.439 -4.617 -10.440 749 2HH1 ARG 96 2HH1 ARG 96 0.958 -3.182 -11.257 750 1HH2 ARG 96 1HH2 ARG 96 4.330 -3.576 -10.428 751 2HH2 ARG 96 2HH2 ARG 96 3.168 -2.590 -11.251 752 H PHE 97 H PHE 97 6.016 -8.493 -7.593 753 HA PHE 97 HA PHE 97 5.998 -6.209 -5.962 754 1HB PHE 97 1HB PHE 97 6.498 -8.522 -5.171 755 2HB PHE 97 2HB PHE 97 8.046 -8.436 -5.996 756 HD1 PHE 97 HD1 PHE 97 8.817 -9.086 -3.585 757 HD2 PHE 97 HD2 PHE 97 7.145 -5.310 -4.623 758 HE1 PHE 97 HE1 PHE 97 9.822 -8.090 -1.577 759 HE2 PHE 97 HE2 PHE 97 8.148 -4.311 -2.613 760 HZ PHE 97 HZ PHE 97 9.515 -5.799 -1.053 761 H ASN 98 H ASN 98 8.714 -7.509 -7.907 762 HA ASN 98 HA ASN 98 10.343 -5.255 -7.529 763 1HB ASN 98 1HB ASN 98 11.661 -6.082 -9.423 764 2HB ASN 98 2HB ASN 98 11.232 -7.394 -8.337 765 1HD2 ASN 98 1HD2 ASN 98 11.135 -9.114 -9.607 766 2HD2 ASN 98 2HD2 ASN 98 10.167 -9.253 -11.030 767 H ASN 99 H ASN 99 7.576 -5.719 -9.502 768 HA ASN 99 HA ASN 99 8.255 -3.680 -11.400 769 1HB ASN 99 1HB ASN 99 6.711 -5.583 -11.916 770 2HB ASN 99 2HB ASN 99 5.527 -4.855 -10.831 771 1HD2 ASN 99 1HD2 ASN 99 7.655 -2.982 -12.867 772 2HD2 ASN 99 2HD2 ASN 99 6.434 -2.403 -13.942 773 H PHE 100 H PHE 100 5.895 -3.842 -8.689 774 HA PHE 100 HA PHE 100 5.327 -1.048 -8.990 775 1HB PHE 100 1HB PHE 100 3.751 -1.264 -7.300 776 2HB PHE 100 2HB PHE 100 3.757 -2.860 -8.030 777 HD1 PHE 100 HD1 PHE 100 4.132 -4.755 -6.728 778 HD2 PHE 100 HD2 PHE 100 5.073 -0.915 -5.159 779 HE1 PHE 100 HE1 PHE 100 4.479 -5.751 -4.505 780 HE2 PHE 100 HE2 PHE 100 5.432 -1.906 -2.939 781 HZ PHE 100 HZ PHE 100 5.131 -4.326 -2.607 782 H LEU 101 H LEU 101 7.742 -2.851 -7.458 783 HA LEU 101 HA LEU 101 8.411 -0.860 -5.485 784 1HB LEU 101 1HB LEU 101 8.925 -2.949 -4.714 785 2HB LEU 101 2HB LEU 101 9.373 -3.537 -6.292 786 HG LEU 101 HG LEU 101 11.229 -1.643 -4.862 787 1HD1 LEU 101 1HD1 LEU 101 12.111 -4.193 -4.315 788 2HD1 LEU 101 2HD1 LEU 101 10.380 -4.288 -3.999 789 3HD1 LEU 101 3HD1 LEU 101 11.363 -3.084 -3.165 790 1HD2 LEU 101 1HD2 LEU 101 11.933 -4.017 -6.509 791 2HD2 LEU 101 2HD2 LEU 101 12.797 -2.492 -6.286 792 3HD2 LEU 101 3HD2 LEU 101 11.355 -2.553 -7.298 793 H LYS 102 H LYS 102 9.758 -1.985 -8.588 794 HA LYS 102 HA LYS 102 11.759 0.089 -8.509 795 1HB LYS 102 1HB LYS 102 10.933 -1.844 -10.679 796 2HB LYS 102 2HB LYS 102 12.168 -0.620 -10.916 797 1HG LYS 102 1HG LYS 102 12.239 -3.031 -9.141 798 2HG LYS 102 2HG LYS 102 13.338 -2.585 -10.442 799 1HD LYS 102 1HD LYS 102 13.111 -1.335 -7.708 800 2HD LYS 102 2HD LYS 102 14.475 -2.226 -8.373 801 1HE LYS 102 1HE LYS 102 13.461 0.455 -9.291 802 2HE LYS 102 2HE LYS 102 14.917 0.157 -8.347 803 1HZ LYS 102 1HZ LYS 102 14.426 -0.818 -11.112 804 2HZ LYS 102 2HZ LYS 102 15.829 -1.086 -10.207 805 3HZ LYS 102 3HZ LYS 102 15.423 0.483 -10.691 806 H ALA 103 H ALA 103 8.501 -0.209 -9.510 807 HA ALA 103 HA ALA 103 8.597 2.023 -11.337 808 1HB ALA 103 1HB ALA 103 6.179 1.775 -11.499 809 2HB ALA 103 2HB ALA 103 6.199 0.610 -10.177 810 3HB ALA 103 3HB ALA 103 6.981 0.219 -11.708 811 H LEU 104 H LEU 104 7.381 1.421 -8.035 812 HA LEU 104 HA LEU 104 6.430 4.061 -7.683 813 1HB LEU 104 1HB LEU 104 6.259 3.585 -5.347 814 2HB LEU 104 2HB LEU 104 5.791 2.139 -6.217 815 HG LEU 104 HG LEU 104 8.278 1.429 -5.803 816 1HD1 LEU 104 1HD1 LEU 104 7.828 3.387 -3.568 817 2HD1 LEU 104 2HD1 LEU 104 9.010 3.553 -4.863 818 3HD1 LEU 104 3HD1 LEU 104 9.163 2.246 -3.692 819 1HD2 LEU 104 1HD2 LEU 104 6.302 1.443 -3.529 820 2HD2 LEU 104 2HD2 LEU 104 7.602 0.284 -3.802 821 3HD2 LEU 104 3HD2 LEU 104 6.231 0.347 -4.906 822 H GLN 105 H GLN 105 9.536 2.464 -7.055 823 HA GLN 105 HA GLN 105 10.731 4.733 -5.856 824 1HB GLN 105 1HB GLN 105 11.945 2.975 -5.264 825 2HB GLN 105 2HB GLN 105 11.609 2.076 -6.740 826 1HG GLN 105 1HG GLN 105 13.875 2.397 -6.863 827 2HG GLN 105 2HG GLN 105 13.271 3.756 -7.818 828 1HE2 GLN 105 1HE2 GLN 105 12.384 5.180 -5.380 829 2HE2 GLN 105 2HE2 GLN 105 13.822 5.815 -4.670 830 H GLU 106 H GLU 106 11.013 3.422 -9.189 831 HA GLU 106 HA GLU 106 12.671 5.433 -10.165 832 1HB GLU 106 1HB GLU 106 11.974 4.836 -12.360 833 2HB GLU 106 2HB GLU 106 11.913 3.354 -11.416 834 1HG GLU 106 1HG GLU 106 9.523 3.554 -11.194 835 2HG GLU 106 2HG GLU 106 9.545 5.100 -12.041 836 H LYS 107 H LYS 107 9.256 5.361 -9.468 837 HA LYS 107 HA LYS 107 8.529 7.768 -10.744 838 1HB LYS 107 1HB LYS 107 6.984 5.961 -9.860 839 2HB LYS 107 2HB LYS 107 7.276 6.601 -8.253 840 1HG LYS 107 1HG LYS 107 6.191 8.294 -10.481 841 2HG LYS 107 2HG LYS 107 5.153 7.334 -9.429 842 1HD LYS 107 1HD LYS 107 7.025 9.548 -8.591 843 2HD LYS 107 2HD LYS 107 5.264 9.608 -8.615 844 1HE LYS 107 1HE LYS 107 5.155 7.902 -6.892 845 2HE LYS 107 2HE LYS 107 6.911 7.740 -6.905 846 1HZ LYS 107 1HZ LYS 107 6.335 9.119 -5.084 847 2HZ LYS 107 2HZ LYS 107 5.323 10.089 -6.029 848 3HZ LYS 107 3HZ LYS 107 6.998 10.138 -6.259 849 H VAL 108 H VAL 108 9.506 7.052 -7.370 850 HA VAL 108 HA VAL 108 9.334 9.677 -6.408 851 HB VAL 108 HB VAL 108 10.413 8.992 -4.506 852 1HG1 VAL 108 1HG1 VAL 108 8.603 7.404 -5.042 853 2HG1 VAL 108 2HG1 VAL 108 9.835 6.782 -3.944 854 3HG1 VAL 108 3HG1 VAL 108 9.834 6.290 -5.636 855 1HG2 VAL 108 1HG2 VAL 108 12.261 7.531 -6.314 856 2HG2 VAL 108 2HG2 VAL 108 12.150 7.046 -4.625 857 3HG2 VAL 108 3HG2 VAL 108 12.615 8.697 -5.038 858 H GLU 109 H GLU 109 11.703 8.083 -8.379 859 HA GLU 109 HA GLU 109 13.798 9.980 -8.091 860 1HB GLU 109 1HB GLU 109 14.102 7.679 -8.997 861 2HB GLU 109 2HB GLU 109 13.220 8.163 -10.439 862 1HG GLU 109 1HG GLU 109 15.621 8.182 -10.810 863 2HG GLU 109 2HG GLU 109 14.930 9.795 -10.970 864 H ILE 110 H ILE 110 11.367 9.485 -10.644 865 HA ILE 110 HA ILE 110 11.975 11.632 -12.272 866 HB ILE 110 HB ILE 110 9.487 10.101 -11.731 867 1HG1 ILE 110 1HG1 ILE 110 9.652 9.680 -14.167 868 2HG1 ILE 110 2HG1 ILE 110 11.072 10.718 -14.229 869 1HG2 ILE 110 1HG2 ILE 110 8.275 11.467 -13.439 870 2HG2 ILE 110 2HG2 ILE 110 9.550 12.675 -13.288 871 3HG2 ILE 110 3HG2 ILE 110 8.539 12.281 -11.897 872 1HD1 ILE 110 1HD1 ILE 110 10.800 8.093 -12.796 873 2HD1 ILE 110 2HD1 ILE 110 12.198 9.160 -12.662 874 3HD1 ILE 110 3HD1 ILE 110 11.780 8.444 -14.219 875 H LYS 111 H LYS 111 9.746 11.543 -9.516 876 HA LYS 111 HA LYS 111 9.621 14.479 -9.543 877 1HB LYS 111 1HB LYS 111 7.787 12.321 -8.636 878 2HB LYS 111 2HB LYS 111 7.776 13.819 -7.719 879 1HG LYS 111 1HG LYS 111 7.471 14.963 -10.003 880 2HG LYS 111 2HG LYS 111 7.017 13.352 -10.570 881 1HD LYS 111 1HD LYS 111 5.755 14.761 -8.221 882 2HD LYS 111 2HD LYS 111 5.078 14.737 -9.854 883 1HE LYS 111 1HE LYS 111 5.550 12.375 -8.038 884 2HE LYS 111 2HE LYS 111 3.994 13.044 -8.529 885 1HZ LYS 111 1HZ LYS 111 4.518 11.074 -9.802 886 2HZ LYS 111 2HZ LYS 111 5.978 11.751 -10.321 887 3HZ LYS 111 3HZ LYS 111 4.509 12.426 -10.819 888 H GLN 112 H GLN 112 8.720 14.683 -6.855 889 HA GLN 112 HA GLN 112 11.257 14.507 -5.474 890 1HB GLN 112 1HB GLN 112 8.633 15.843 -4.859 891 2HB GLN 112 2HB GLN 112 9.938 15.772 -3.682 892 1HG GLN 112 1HG GLN 112 10.038 17.077 -6.393 893 2HG GLN 112 2HG GLN 112 9.949 17.894 -4.834 894 1HE2 GLN 112 1HE2 GLN 112 11.765 17.965 -3.517 895 2HE2 GLN 112 2HE2 GLN 112 13.348 17.603 -4.109 896 H LEU 113 H LEU 113 9.050 14.469 -3.087 897 HA LEU 113 HA LEU 113 8.269 12.909 -1.632 898 1HB LEU 113 1HB LEU 113 8.347 11.191 -4.100 899 2HB LEU 113 2HB LEU 113 7.654 10.683 -2.574 900 HG LEU 113 HG LEU 113 5.965 11.421 -4.146 901 1HD1 LEU 113 1HD1 LEU 113 6.187 13.378 -1.875 902 2HD1 LEU 113 2HD1 LEU 113 5.702 11.696 -1.674 903 3HD1 LEU 113 3HD1 LEU 113 4.711 12.788 -2.636 904 1HD2 LEU 113 1HD2 LEU 113 5.729 13.692 -4.864 905 2HD2 LEU 113 2HD2 LEU 113 7.322 13.103 -5.341 906 3HD2 LEU 113 3HD2 LEU 113 7.157 14.166 -3.945 907 H ASN 114 H ASN 114 11.237 13.175 -2.371 908 HA ASN 114 HA ASN 114 12.534 10.743 -2.158 909 1HB ASN 114 1HB ASN 114 13.469 13.314 -0.865 910 2HB ASN 114 2HB ASN 114 14.462 11.953 -1.376 911 1HD2 ASN 114 1HD2 ASN 114 12.997 11.538 -3.843 912 2HD2 ASN 114 2HD2 ASN 114 13.458 12.821 -4.904 913 H HIS 115 H HIS 115 10.995 12.687 0.328 914 HA HIS 115 HA HIS 115 12.034 11.473 2.618 915 1HB HIS 115 1HB HIS 115 9.200 12.453 2.214 916 2HB HIS 115 2HB HIS 115 10.019 12.238 3.756 917 HD1 HIS 115 HD1 HIS 115 11.896 13.978 4.343 918 HD2 HIS 115 HD2 HIS 115 9.719 14.833 0.909 919 HE1 HIS 115 HE1 HIS 115 12.407 16.381 3.805 920 HE2 HIS 115 HE2 HIS 115 10.981 16.909 1.795 921 H PHE 116 H PHE 116 9.196 10.609 0.661 922 HA PHE 116 HA PHE 116 8.361 8.370 2.067 923 1HB PHE 116 1HB PHE 116 6.930 8.981 0.325 924 2HB PHE 116 2HB PHE 116 8.248 9.163 -0.825 925 HD1 PHE 116 HD1 PHE 116 7.045 6.356 1.331 926 HD2 PHE 116 HD2 PHE 116 8.037 7.723 -2.575 927 HE1 PHE 116 HE1 PHE 116 6.570 4.116 0.430 928 HE2 PHE 116 HE2 PHE 116 7.562 5.487 -3.481 929 HZ PHE 116 HZ PHE 116 6.829 3.680 -1.980 930 H TRP 117 H TRP 117 10.661 8.607 -0.617 931 HA TRP 117 HA TRP 117 11.523 5.993 -0.723 932 1HB TRP 117 1HB TRP 117 12.311 7.432 -2.415 933 2HB TRP 117 2HB TRP 117 12.916 8.608 -1.258 934 HD1 TRP 117 HD1 TRP 117 15.447 8.602 -1.010 935 HE1 TRP 117 HE1 TRP 117 17.346 6.912 -1.408 936 HE3 TRP 117 HE3 TRP 117 12.649 4.538 -2.344 937 HZ2 TRP 117 HZ2 TRP 117 17.622 4.213 -2.182 938 HZ3 TRP 117 HZ3 TRP 117 13.807 2.439 -2.897 939 HH2 TRP 117 HH2 TRP 117 16.243 2.282 -2.818 940 H GLU 118 H GLU 118 12.556 8.616 1.416 941 HA GLU 118 HA GLU 118 14.711 7.421 2.668 942 1HB GLU 118 1HB GLU 118 12.664 9.264 3.917 943 2HB GLU 118 2HB GLU 118 14.235 8.885 4.599 944 1HG GLU 118 1HG GLU 118 13.673 10.384 2.060 945 2HG GLU 118 2HG GLU 118 14.344 11.022 3.557 946 H ILE 119 H ILE 119 11.294 7.374 3.824 947 HA ILE 119 HA ILE 119 11.870 5.637 5.971 948 HB ILE 119 HB ILE 119 9.511 5.158 6.152 949 1HG1 ILE 119 1HG1 ILE 119 9.276 6.507 3.462 950 2HG1 ILE 119 2HG1 ILE 119 8.901 4.827 3.839 951 1HG2 ILE 119 1HG2 ILE 119 8.691 7.408 6.481 952 2HG2 ILE 119 2HG2 ILE 119 9.951 8.048 5.425 953 3HG2 ILE 119 3HG2 ILE 119 10.385 7.304 6.963 954 1HD1 ILE 119 1HD1 ILE 119 7.111 5.653 5.348 955 2HD1 ILE 119 2HD1 ILE 119 6.862 6.023 3.642 956 3HD1 ILE 119 3HD1 ILE 119 7.423 7.280 4.745 957 H VAL 120 H VAL 120 11.104 4.936 2.569 958 HA VAL 120 HA VAL 120 10.770 2.151 3.020 959 HB VAL 120 HB VAL 120 10.300 1.991 0.868 960 1HG1 VAL 120 1HG1 VAL 120 9.429 4.208 1.150 961 2HG1 VAL 120 2HG1 VAL 120 10.077 4.021 -0.480 962 3HG1 VAL 120 3HG1 VAL 120 10.994 4.904 0.737 963 1HG2 VAL 120 1HG2 VAL 120 12.957 3.244 0.224 964 2HG2 VAL 120 2HG2 VAL 120 11.865 2.499 -0.945 965 3HG2 VAL 120 3HG2 VAL 120 12.594 1.520 0.327 966 H VAL 121 H VAL 121 13.632 4.172 2.569 967 HA VAL 121 HA VAL 121 15.441 1.981 2.262 968 HB VAL 121 HB VAL 121 17.134 3.472 2.180 969 1HG1 VAL 121 1HG1 VAL 121 15.293 4.461 0.821 970 2HG1 VAL 121 2HG1 VAL 121 16.536 5.601 1.338 971 3HG1 VAL 121 3HG1 VAL 121 14.979 5.557 2.167 972 1HG2 VAL 121 1HG2 VAL 121 17.349 5.450 3.692 973 2HG2 VAL 121 2HG2 VAL 121 17.311 3.886 4.505 974 3HG2 VAL 121 3HG2 VAL 121 15.876 4.911 4.499 975 H GLN 122 H GLN 122 14.057 3.751 4.896 976 HA GLN 122 HA GLN 122 15.608 2.573 6.978 977 1HB GLN 122 1HB GLN 122 14.632 4.685 7.430 978 2HB GLN 122 2HB GLN 122 13.048 4.161 6.881 979 1HG GLN 122 1HG GLN 122 12.705 2.862 8.808 980 2HG GLN 122 2HG GLN 122 14.395 3.002 9.293 981 1HE2 GLN 122 1HE2 GLN 122 11.945 3.676 10.749 982 2HE2 GLN 122 2HE2 GLN 122 12.084 5.346 11.169 983 H ASP 123 H ASP 123 12.868 1.655 5.130 984 HA ASP 123 HA ASP 123 12.249 -0.550 6.972 985 1HB ASP 123 1HB ASP 123 10.656 0.837 4.828 986 2HB ASP 123 2HB ASP 123 10.177 -0.742 5.442 987 H GLY 124 H GLY 124 14.052 0.057 4.253 988 1HA GLY 124 1HA GLY 124 15.007 -1.300 2.653 989 2HA GLY 124 2HA GLY 124 14.590 -2.649 3.706 990 H ILE 125 H ILE 125 13.205 -0.426 1.317 991 HA ILE 125 HA ILE 125 11.361 -2.578 0.509 992 HB ILE 125 HB ILE 125 10.764 0.361 0.269 993 1HG1 ILE 125 1HG1 ILE 125 11.098 -0.199 2.646 994 2HG1 ILE 125 2HG1 ILE 125 9.417 0.186 2.296 995 1HG2 ILE 125 1HG2 ILE 125 8.446 -0.406 0.095 996 2HG2 ILE 125 2HG2 ILE 125 9.004 -2.079 0.188 997 3HG2 ILE 125 3HG2 ILE 125 9.465 -1.072 -1.183 998 1HD1 ILE 125 1HD1 ILE 125 10.546 -2.588 2.583 999 2HD1 ILE 125 2HD1 ILE 125 8.857 -2.171 2.300 1000 3HD1 ILE 125 3HD1 ILE 125 9.636 -1.712 3.812 1001 H THR 126 H THR 126 13.666 -2.692 -0.812 1002 HA THR 126 HA THR 126 12.912 -1.726 -3.461 1003 HB THR 126 HB THR 126 15.756 -1.397 -2.544 1004 HG1 THR 126 HG1 THR 126 13.558 0.213 -2.113 1005 1HG2 THR 126 1HG2 THR 126 15.607 -1.540 -4.905 1006 2HG2 THR 126 2HG2 THR 126 15.734 0.180 -4.533 1007 3HG2 THR 126 3HG2 THR 126 14.168 -0.520 -4.946 1008 H LEU 127 H LEU 127 13.818 -2.884 -5.188 1009 HA LEU 127 HA LEU 127 14.161 -4.831 -6.275 1010 1HB LEU 127 1HB LEU 127 16.308 -5.699 -6.147 1011 2HB LEU 127 2HB LEU 127 16.482 -4.037 -5.625 1012 HG LEU 127 HG LEU 127 16.257 -5.076 -3.229 1013 1HD1 LEU 127 1HD1 LEU 127 16.139 -7.291 -3.166 1014 2HD1 LEU 127 2HD1 LEU 127 17.784 -7.336 -3.801 1015 3HD1 LEU 127 3HD1 LEU 127 16.411 -7.409 -4.904 1016 1HD2 LEU 127 1HD2 LEU 127 18.783 -5.474 -4.810 1017 2HD2 LEU 127 2HD2 LEU 127 18.635 -5.173 -3.079 1018 3HD2 LEU 127 3HD2 LEU 127 18.211 -3.916 -4.231 1019 H ILE 128 H ILE 128 14.611 -7.291 -6.035 1020 HA ILE 128 HA ILE 128 12.812 -8.276 -3.950 1021 HB ILE 128 HB ILE 128 14.007 -9.784 -6.277 1022 1HG1 ILE 128 1HG1 ILE 128 12.563 -8.021 -7.113 1023 2HG1 ILE 128 2HG1 ILE 128 11.756 -9.573 -7.302 1024 1HG2 ILE 128 1HG2 ILE 128 12.794 -11.611 -5.661 1025 2HG2 ILE 128 2HG2 ILE 128 11.529 -10.651 -4.893 1026 3HG2 ILE 128 3HG2 ILE 128 13.067 -10.902 -4.068 1027 1HD1 ILE 128 1HD1 ILE 128 10.190 -7.908 -6.553 1028 2HD1 ILE 128 2HD1 ILE 128 11.214 -7.521 -5.170 1029 3HD1 ILE 128 3HD1 ILE 128 10.440 -9.101 -5.279 1030 H THR 129 H THR 129 13.788 -8.713 -2.100 1031 HA THR 129 HA THR 129 16.536 -9.240 -1.873 1032 HB THR 129 HB THR 129 16.217 -9.418 0.442 1033 HG1 THR 129 HG1 THR 129 13.743 -10.493 -0.287 1034 1HG2 THR 129 1HG2 THR 129 13.945 -7.717 -0.576 1035 2HG2 THR 129 2HG2 THR 129 15.631 -7.214 -0.448 1036 3HG2 THR 129 3HG2 THR 129 14.711 -7.592 1.009 1037 H LYS 130 H LYS 130 16.798 -10.940 -3.382 1038 HA LYS 130 HA LYS 130 17.436 -13.357 -2.371 1039 1HB LYS 130 1HB LYS 130 15.636 -14.884 -3.199 1040 2HB LYS 130 2HB LYS 130 15.183 -13.910 -1.810 1041 1HG LYS 130 1HG LYS 130 14.053 -12.339 -3.403 1042 2HG LYS 130 2HG LYS 130 14.358 -13.526 -4.674 1043 1HD LYS 130 1HD LYS 130 12.139 -13.884 -3.865 1044 2HD LYS 130 2HD LYS 130 13.146 -15.210 -3.282 1045 1HE LYS 130 1HE LYS 130 13.343 -14.123 -1.110 1046 2HE LYS 130 2HE LYS 130 12.380 -12.765 -1.691 1047 1HZ LYS 130 1HZ LYS 130 11.029 -14.279 -0.405 1048 2HZ LYS 130 2HZ LYS 130 11.449 -15.571 -1.413 1049 3HZ LYS 130 3HZ LYS 130 10.522 -14.294 -2.019 1050 H GLU 131 H GLU 131 15.503 -12.522 -5.252 1051 HA GLU 131 HA GLU 131 17.461 -12.150 -7.095 1052 1HB GLU 131 1HB GLU 131 17.591 -14.435 -8.205 1053 2HB GLU 131 2HB GLU 131 18.474 -14.268 -6.692 1054 1HG GLU 131 1HG GLU 131 16.424 -15.254 -5.564 1055 2HG GLU 131 2HG GLU 131 15.876 -15.682 -7.187 1056 H GLU 132 H GLU 132 14.893 -11.259 -6.782 1057 HA GLU 132 HA GLU 132 12.955 -10.841 -7.906 1058 1HB GLU 132 1HB GLU 132 14.394 -12.220 -10.183 1059 2HB GLU 132 2HB GLU 132 12.930 -11.258 -10.339 1060 1HG GLU 132 1HG GLU 132 14.180 -9.299 -9.485 1061 2HG GLU 132 2HG GLU 132 15.647 -10.285 -9.490 1062 H ALA 133 H ALA 133 13.212 -13.238 -6.359 1063 HA ALA 133 HA ALA 133 11.431 -15.087 -7.803 1064 1HB ALA 133 1HB ALA 133 12.194 -16.784 -6.170 1065 2HB ALA 133 2HB ALA 133 13.301 -15.587 -5.495 1066 3HB ALA 133 3HB ALA 133 13.501 -16.134 -7.160 1067 H SER 134 H SER 134 10.369 -16.522 -5.822 1068 HA SER 134 HA SER 134 8.828 -14.565 -4.251 1069 1HB SER 134 1HB SER 134 7.966 -17.226 -5.389 1070 2HB SER 134 2HB SER 134 6.985 -16.234 -4.313 1071 HG SER 134 HG SER 134 7.142 -16.069 -6.923 1072 H GLY 135 H GLY 135 10.539 -17.607 -4.237 1073 1HA GLY 135 1HA GLY 135 10.572 -17.523 -1.305 1074 2HA GLY 135 2HA GLY 135 10.031 -19.001 -2.088 1075 H SER 136 H SER 136 12.682 -17.298 -0.912 1076 HA SER 136 HA SER 136 14.500 -19.297 -2.059 1077 1HB SER 136 1HB SER 136 15.085 -16.332 -1.874 1078 2HB SER 136 2HB SER 136 16.230 -17.571 -2.387 1079 HG SER 136 HG SER 136 14.945 -16.336 -4.046 1080 H SER 137 H SER 137 16.842 -18.356 -0.850 1081 HA SER 137 HA SER 137 16.189 -18.686 2.004 1082 1HB SER 137 1HB SER 137 18.354 -19.852 2.242 1083 2HB SER 137 2HB SER 137 17.289 -20.674 1.102 1084 HG SER 137 HG SER 137 19.740 -19.795 0.680 1085 H VAL 138 H VAL 138 17.033 -16.368 -0.033 1086 HA VAL 138 HA VAL 138 19.281 -15.254 1.429 1087 HB VAL 138 HB VAL 138 17.681 -13.993 -0.799 1088 1HG1 VAL 138 1HG1 VAL 138 19.705 -12.592 -1.079 1089 2HG1 VAL 138 2HG1 VAL 138 20.374 -13.321 0.381 1090 3HG1 VAL 138 3HG1 VAL 138 18.906 -12.349 0.473 1091 1HG2 VAL 138 1HG2 VAL 138 18.675 -16.081 -1.551 1092 2HG2 VAL 138 2HG2 VAL 138 20.245 -15.579 -0.925 1093 3HG2 VAL 138 3HG2 VAL 138 19.514 -14.707 -2.271 1094 H THR 139 H THR 139 19.236 -13.255 2.522 1095 HA THR 139 HA THR 139 16.733 -12.770 3.912 1096 HB THR 139 HB THR 139 18.043 -11.324 5.384 1097 HG1 THR 139 HG1 THR 139 20.420 -11.995 4.055 1098 1HG2 THR 139 1HG2 THR 139 19.348 -13.976 4.776 1099 2HG2 THR 139 2HG2 THR 139 18.090 -13.650 5.969 1100 3HG2 THR 139 3HG2 THR 139 19.712 -12.993 6.196 1101 H ALA 140 H ALA 140 16.814 -10.213 4.613 1102 HA ALA 140 HA ALA 140 15.907 -8.821 2.279 1103 1HB ALA 140 1HB ALA 140 15.326 -7.035 3.804 1104 2HB ALA 140 2HB ALA 140 16.268 -7.789 5.091 1105 3HB ALA 140 3HB ALA 140 14.815 -8.582 4.478 1106 H GLU 141 H GLU 141 18.900 -9.282 3.687 1107 HA GLU 141 HA GLU 141 20.273 -6.964 3.737 1108 1HB GLU 141 1HB GLU 141 21.123 -9.633 2.649 1109 2HB GLU 141 2HB GLU 141 22.244 -8.288 2.833 1110 1HG GLU 141 1HG GLU 141 21.745 -8.198 5.213 1111 2HG GLU 141 2HG GLU 141 20.623 -9.544 5.031 1112 H GLU 142 H GLU 142 19.400 -8.731 0.771 1113 HA GLU 142 HA GLU 142 20.830 -7.265 -1.088 1114 1HB GLU 142 1HB GLU 142 17.976 -8.180 -1.484 1115 2HB GLU 142 2HB GLU 142 19.190 -7.924 -2.728 1116 1HG GLU 142 1HG GLU 142 19.366 -10.024 -0.581 1117 2HG GLU 142 2HG GLU 142 18.783 -10.304 -2.221 1118 H ALA 143 H ALA 143 17.501 -6.644 0.014 1119 HA ALA 143 HA ALA 143 17.165 -4.179 -1.244 1120 1HB ALA 143 1HB ALA 143 15.450 -3.747 0.508 1121 2HB ALA 143 2HB ALA 143 16.001 -5.198 1.349 1122 3HB ALA 143 3HB ALA 143 15.286 -5.327 -0.260 1123 H LYS 144 H LYS 144 18.180 -4.901 2.083 1124 HA LYS 144 HA LYS 144 18.701 -2.396 3.033 1125 1HB LYS 144 1HB LYS 144 20.314 -4.907 3.510 1126 2HB LYS 144 2HB LYS 144 20.417 -3.450 4.488 1127 1HG LYS 144 1HG LYS 144 18.150 -3.706 5.221 1128 2HG LYS 144 2HG LYS 144 17.897 -5.054 4.111 1129 1HD LYS 144 1HD LYS 144 18.242 -5.938 6.314 1130 2HD LYS 144 2HD LYS 144 19.661 -6.312 5.336 1131 1HE LYS 144 1HE LYS 144 20.254 -5.552 7.598 1132 2HE LYS 144 2HE LYS 144 20.881 -4.482 6.344 1133 1HZ LYS 144 1HZ LYS 144 19.047 -2.969 6.763 1134 2HZ LYS 144 2HZ LYS 144 19.929 -3.236 8.182 1135 3HZ LYS 144 3HZ LYS 144 18.435 -3.998 7.960 1136 H LYS 145 H LYS 145 20.472 -4.170 0.626 1137 HA LYS 145 HA LYS 145 22.773 -2.422 0.752 1138 1HB LYS 145 1HB LYS 145 22.008 -4.682 -1.090 1139 2HB LYS 145 2HB LYS 145 23.455 -3.713 -1.328 1140 1HG LYS 145 1HG LYS 145 22.851 -5.275 1.174 1141 2HG LYS 145 2HG LYS 145 23.856 -5.857 -0.155 1142 1HD LYS 145 1HD LYS 145 25.404 -4.011 0.183 1143 2HD LYS 145 2HD LYS 145 24.378 -3.360 1.462 1144 1HE LYS 145 1HE LYS 145 24.741 -5.398 2.778 1145 2HE LYS 145 2HE LYS 145 25.777 -6.033 1.501 1146 1HZ LYS 145 1HZ LYS 145 27.307 -4.220 1.859 1147 2HZ LYS 145 2HZ LYS 145 27.047 -5.036 3.317 1148 3HZ LYS 145 3HZ LYS 145 26.298 -3.547 3.037 1149 H PHE 146 H PHE 146 19.970 -2.887 -1.395 1150 HA PHE 146 HA PHE 146 20.792 -1.084 -3.391 1151 1HB PHE 146 1HB PHE 146 18.859 -2.754 -3.459 1152 2HB PHE 146 2HB PHE 146 17.891 -1.509 -2.684 1153 HD1 PHE 146 HD1 PHE 146 18.423 -2.964 -5.679 1154 HD2 PHE 146 HD2 PHE 146 18.444 0.930 -3.962 1155 HE1 PHE 146 HE1 PHE 146 17.966 -1.992 -7.884 1156 HE2 PHE 146 HE2 PHE 146 17.984 1.908 -6.171 1157 HZ PHE 146 HZ PHE 146 17.743 0.446 -8.137 1158 H LEU 147 H LEU 147 18.659 -0.526 -0.581 1159 HA LEU 147 HA LEU 147 18.733 2.331 -1.132 1160 1HB LEU 147 1HB LEU 147 17.212 2.409 0.928 1161 2HB LEU 147 2HB LEU 147 16.579 1.750 -0.557 1162 HG LEU 147 HG LEU 147 16.016 0.573 1.652 1163 1HD1 LEU 147 1HD1 LEU 147 17.056 -0.864 -0.765 1164 2HD1 LEU 147 2HD1 LEU 147 15.394 -0.409 -0.393 1165 3HD1 LEU 147 3HD1 LEU 147 16.194 -1.668 0.547 1166 1HD2 LEU 147 1HD2 LEU 147 17.592 -1.089 2.425 1167 2HD2 LEU 147 2HD2 LEU 147 18.297 0.522 2.551 1168 3HD2 LEU 147 3HD2 LEU 147 18.780 -0.552 1.238 1169 H ALA 148 H ALA 148 21.175 1.045 -0.337 1170 HA ALA 148 HA ALA 148 21.623 1.950 2.399 1171 1HB ALA 148 1HB ALA 148 23.579 0.620 0.534 1172 2HB ALA 148 2HB ALA 148 22.493 -0.248 1.617 1173 3HB ALA 148 3HB ALA 148 23.730 0.819 2.280 1174 HA PRO 149 HA PRO 149 23.571 5.705 1.070 1175 1HB PRO 149 1HB PRO 149 25.028 5.994 3.501 1176 2HB PRO 149 2HB PRO 149 23.490 6.736 3.072 1177 1HG PRO 149 1HG PRO 149 23.841 4.831 5.052 1178 2HG PRO 149 2HG PRO 149 22.299 5.224 4.275 1179 1HD PRO 149 1HD PRO 149 24.159 2.946 3.761 1180 2HD PRO 149 2HD PRO 149 22.382 2.992 3.717 1181 H LYS 150 H LYS 150 25.574 3.190 2.505 1182 HA LYS 150 HA LYS 150 28.060 4.305 1.640 1183 1HB LYS 150 1HB LYS 150 28.935 2.000 2.231 1184 2HB LYS 150 2HB LYS 150 28.157 2.888 3.534 1185 1HG LYS 150 1HG LYS 150 26.129 1.591 3.241 1186 2HG LYS 150 2HG LYS 150 26.855 0.734 1.880 1187 1HD LYS 150 1HD LYS 150 28.025 0.721 4.655 1188 2HD LYS 150 2HD LYS 150 26.880 -0.494 4.081 1189 1HE LYS 150 1HE LYS 150 28.415 -1.097 2.280 1190 2HE LYS 150 2HE LYS 150 29.554 0.132 2.831 1191 1HZ LYS 150 1HZ LYS 150 28.662 -2.189 4.454 1192 2HZ LYS 150 2HZ LYS 150 29.843 -1.055 4.882 1193 3HZ LYS 150 3HZ LYS 150 30.118 -2.119 3.596 1194 H ASP 151 H ASP 151 29.395 2.125 0.559 1195 HA ASP 151 HA ASP 151 29.915 1.142 -1.418 1196 1HB ASP 151 1HB ASP 151 26.907 1.008 -1.702 1197 2HB ASP 151 2HB ASP 151 28.043 0.200 -2.777 1198 H LYS 152 H LYS 152 29.416 1.320 -3.917 1199 HA LYS 152 HA LYS 152 28.910 4.140 -4.551 1200 1HB LYS 152 1HB LYS 152 30.727 3.922 -6.297 1201 2HB LYS 152 2HB LYS 152 31.261 3.983 -4.623 1202 1HG LYS 152 1HG LYS 152 30.798 1.338 -5.890 1203 2HG LYS 152 2HG LYS 152 32.257 2.240 -6.300 1204 1HD LYS 152 1HD LYS 152 31.395 1.567 -3.488 1205 2HD LYS 152 2HD LYS 152 32.551 0.621 -4.424 1206 1HE LYS 152 1HE LYS 152 32.835 3.493 -3.549 1207 2HE LYS 152 2HE LYS 152 33.746 2.107 -2.950 1208 1HZ LYS 152 1HZ LYS 152 33.855 3.267 -5.680 1209 2HZ LYS 152 2HZ LYS 152 34.621 1.827 -5.234 1210 3HZ LYS 152 3HZ LYS 152 35.083 3.286 -4.514 Start of MODEL 9 1 1H MET 1 1H MET 1 -65.312 3.575 25.621 2 2H MET 1 2H MET 1 -65.234 5.217 25.219 3 3H MET 1 3H MET 1 -65.232 4.047 23.997 4 HA MET 1 HA MET 1 -67.465 4.613 25.856 5 1HB MET 1 1HB MET 1 -67.202 5.134 22.887 6 2HB MET 1 2HB MET 1 -68.627 5.459 23.867 7 1HG MET 1 1HG MET 1 -67.372 7.099 25.161 8 2HG MET 1 2HG MET 1 -65.937 6.770 24.192 9 1HE MET 1 1HE MET 1 -69.507 8.333 24.299 10 2HE MET 1 2HE MET 1 -69.721 7.083 23.073 11 3HE MET 1 3HE MET 1 -69.776 8.786 22.616 12 H HIS 2 H HIS 2 -66.279 2.772 23.074 13 HA HIS 2 HA HIS 2 -68.564 0.969 23.225 14 1HB HIS 2 1HB HIS 2 -66.201 0.910 21.335 15 2HB HIS 2 2HB HIS 2 -67.691 -0.015 21.179 16 HD1 HIS 2 HD1 HIS 2 -66.150 3.134 20.215 17 HD2 HIS 2 HD2 HIS 2 -70.021 1.694 20.676 18 HE1 HIS 2 HE1 HIS 2 -67.620 4.749 18.970 19 HE2 HIS 2 HE2 HIS 2 -69.965 3.896 19.317 20 H HIS 3 H HIS 3 -68.516 -0.991 24.149 21 HA HIS 3 HA HIS 3 -67.795 -2.765 25.375 22 1HB HIS 3 1HB HIS 3 -65.378 -2.363 23.610 23 2HB HIS 3 2HB HIS 3 -65.549 -3.724 24.711 24 HD1 HIS 3 HD1 HIS 3 -67.084 -5.627 24.002 25 HD2 HIS 3 HD2 HIS 3 -67.125 -2.409 21.372 26 HE1 HIS 3 HE1 HIS 3 -68.305 -6.442 21.961 27 HE2 HIS 3 HE2 HIS 3 -68.357 -4.464 20.400 28 H HIS 4 H HIS 4 -67.123 0.095 26.161 29 HA HIS 4 HA HIS 4 -66.127 1.180 27.888 30 1HB HIS 4 1HB HIS 4 -67.090 -0.712 29.179 31 2HB HIS 4 2HB HIS 4 -65.586 -1.598 28.956 32 HD1 HIS 4 HD1 HIS 4 -67.017 1.363 30.774 33 HD2 HIS 4 HD2 HIS 4 -63.510 -0.863 30.645 34 HE1 HIS 4 HE1 HIS 4 -65.664 2.127 32.752 35 HE2 HIS 4 HE2 HIS 4 -63.554 0.752 32.665 36 H HIS 5 H HIS 5 -64.393 2.192 27.050 37 HA HIS 5 HA HIS 5 -62.084 1.005 26.037 38 1HB HIS 5 1HB HIS 5 -62.729 3.351 25.621 39 2HB HIS 5 2HB HIS 5 -62.358 3.744 27.295 40 HD1 HIS 5 HD1 HIS 5 -60.113 4.710 27.615 41 HD2 HIS 5 HD2 HIS 5 -60.263 2.238 24.277 42 HE1 HIS 5 HE1 HIS 5 -57.830 4.853 26.569 43 HE2 HIS 5 HE2 HIS 5 -57.973 3.421 24.501 44 H HIS 6 H HIS 6 -60.514 -0.081 26.993 45 HA HIS 6 HA HIS 6 -60.209 0.068 29.890 46 1HB HIS 6 1HB HIS 6 -59.088 -1.820 27.816 47 2HB HIS 6 2HB HIS 6 -58.659 -1.891 29.523 48 HD1 HIS 6 HD1 HIS 6 -61.548 -2.469 27.187 49 HD2 HIS 6 HD2 HIS 6 -60.537 -3.085 31.171 50 HE1 HIS 6 HE1 HIS 6 -63.355 -3.951 28.118 51 HE2 HIS 6 HE2 HIS 6 -62.707 -4.336 30.522 52 H HIS 7 H HIS 7 -57.722 -0.404 30.488 53 HA HIS 7 HA HIS 7 -56.119 1.655 29.122 54 1HB HIS 7 1HB HIS 7 -55.106 2.186 31.325 55 2HB HIS 7 2HB HIS 7 -56.833 2.524 31.273 56 HD1 HIS 7 HD1 HIS 7 -54.319 0.235 32.837 57 HD2 HIS 7 HD2 HIS 7 -58.408 0.964 32.976 58 HE1 HIS 7 HE1 HIS 7 -55.162 -1.045 34.829 59 HE2 HIS 7 HE2 HIS 7 -57.622 -0.513 34.949 60 H LYS 8 H LYS 8 -54.092 1.103 28.547 61 HA LYS 8 HA LYS 8 -53.061 -1.485 29.512 62 1HB LYS 8 1HB LYS 8 -52.890 -0.310 26.734 63 2HB LYS 8 2HB LYS 8 -51.982 -1.719 27.263 64 1HG LYS 8 1HG LYS 8 -54.017 -2.950 27.639 65 2HG LYS 8 2HG LYS 8 -54.985 -1.525 27.261 66 1HD LYS 8 1HD LYS 8 -54.992 -2.908 25.324 67 2HD LYS 8 2HD LYS 8 -53.936 -1.541 24.976 68 1HE LYS 8 1HE LYS 8 -52.857 -4.140 26.024 69 2HE LYS 8 2HE LYS 8 -53.142 -3.887 24.303 70 1HZ LYS 8 1HZ LYS 8 -51.291 -2.378 26.061 71 2HZ LYS 8 2HZ LYS 8 -51.690 -1.884 24.495 72 3HZ LYS 8 3HZ LYS 8 -50.892 -3.355 24.739 73 H LEU 9 H LEU 9 -51.091 -1.469 30.368 74 HA LEU 9 HA LEU 9 -49.639 1.022 30.539 75 1HB LEU 9 1HB LEU 9 -48.906 -1.700 31.622 76 2HB LEU 9 2HB LEU 9 -48.177 -0.170 32.072 77 HG LEU 9 HG LEU 9 -51.080 -0.826 32.559 78 1HD1 LEU 9 1HD1 LEU 9 -50.424 -1.216 34.891 79 2HD1 LEU 9 2HD1 LEU 9 -48.729 -1.059 34.434 80 3HD1 LEU 9 3HD1 LEU 9 -49.693 -2.391 33.797 81 1HD2 LEU 9 1HD2 LEU 9 -50.902 1.052 34.153 82 2HD2 LEU 9 2HD2 LEU 9 -50.610 1.543 32.484 83 3HD2 LEU 9 3HD2 LEU 9 -49.253 1.340 33.592 84 H LYS 10 H LYS 10 -47.404 1.268 29.972 85 HA LYS 10 HA LYS 10 -46.785 0.227 27.400 86 1HB LYS 10 1HB LYS 10 -44.610 1.433 27.728 87 2HB LYS 10 2HB LYS 10 -46.041 2.434 27.935 88 1HG LYS 10 1HG LYS 10 -45.821 2.123 30.397 89 2HG LYS 10 2HG LYS 10 -44.292 1.294 30.103 90 1HD LYS 10 1HD LYS 10 -43.834 3.589 30.654 91 2HD LYS 10 2HD LYS 10 -43.470 3.334 28.947 92 1HE LYS 10 1HE LYS 10 -45.618 4.319 28.334 93 2HE LYS 10 2HE LYS 10 -46.010 4.546 30.038 94 1HZ LYS 10 1HZ LYS 10 -44.131 6.050 30.236 95 2HZ LYS 10 2HZ LYS 10 -45.192 6.585 29.033 96 3HZ LYS 10 3HZ LYS 10 -43.743 5.825 28.604 97 H THR 11 H THR 11 -45.759 -1.579 26.861 98 HA THR 11 HA THR 11 -44.435 -3.118 28.986 99 HB THR 11 HB THR 11 -44.661 -5.064 27.476 100 HG1 THR 11 HG1 THR 11 -44.826 -3.495 25.562 101 1HG2 THR 11 1HG2 THR 11 -47.232 -3.561 27.986 102 2HG2 THR 11 2HG2 THR 11 -46.406 -4.633 29.118 103 3HG2 THR 11 3HG2 THR 11 -47.108 -5.286 27.638 104 H GLU 12 H GLU 12 -42.337 -3.639 28.903 105 HA GLU 12 HA GLU 12 -40.160 -3.708 28.271 106 1HB GLU 12 1HB GLU 12 -41.098 -5.026 26.364 107 2HB GLU 12 2HB GLU 12 -41.189 -3.536 25.435 108 1HG GLU 12 1HG GLU 12 -39.219 -4.774 24.822 109 2HG GLU 12 2HG GLU 12 -38.756 -3.280 25.637 110 H GLN 13 H GLN 13 -38.443 -2.334 27.794 111 HA GLN 13 HA GLN 13 -39.114 0.455 27.765 112 1HB GLN 13 1HB GLN 13 -36.429 -0.934 27.688 113 2HB GLN 13 2HB GLN 13 -36.663 0.794 27.904 114 1HG GLN 13 1HG GLN 13 -37.846 0.394 29.987 115 2HG GLN 13 2HG GLN 13 -37.670 -1.346 29.765 116 1HE2 GLN 13 1HE2 GLN 13 -34.968 -1.100 28.694 117 2HE2 GLN 13 2HE2 GLN 13 -33.947 -0.755 30.044 118 H GLY 14 H GLY 14 -37.455 1.840 26.320 119 1HA GLY 14 1HA GLY 14 -36.497 1.277 23.899 120 2HA GLY 14 2HA GLY 14 -38.223 1.198 23.584 121 H GLY 15 H GLY 15 -37.668 2.945 22.051 122 1HA GLY 15 1HA GLY 15 -38.562 5.229 21.949 123 2HA GLY 15 2HA GLY 15 -37.690 5.554 23.440 124 H ALA 16 H ALA 16 -36.241 3.669 20.903 125 HA ALA 16 HA ALA 16 -34.187 5.713 20.591 126 1HB ALA 16 1HB ALA 16 -32.918 3.978 19.429 127 2HB ALA 16 2HB ALA 16 -34.304 2.892 19.528 128 3HB ALA 16 3HB ALA 16 -33.484 3.410 21.000 129 H HIS 17 H HIS 17 -33.818 6.861 18.767 130 HA HIS 17 HA HIS 17 -35.389 6.222 16.369 131 1HB HIS 17 1HB HIS 17 -35.120 8.970 17.605 132 2HB HIS 17 2HB HIS 17 -35.874 8.627 16.052 133 HD1 HIS 17 HD1 HIS 17 -36.594 8.864 19.613 134 HD2 HIS 17 HD2 HIS 17 -38.292 7.003 16.308 135 HE1 HIS 17 HE1 HIS 17 -38.939 8.273 20.305 136 HE2 HIS 17 HE2 HIS 17 -39.972 7.222 18.262 137 H PHE 18 H PHE 18 -33.894 5.736 14.898 138 HA PHE 18 HA PHE 18 -31.741 7.663 14.416 139 1HB PHE 18 1HB PHE 18 -31.341 4.673 14.599 140 2HB PHE 18 2HB PHE 18 -30.119 5.829 14.084 141 HD1 PHE 18 HD1 PHE 18 -31.845 4.339 16.894 142 HD2 PHE 18 HD2 PHE 18 -29.170 7.427 15.704 143 HE1 PHE 18 HE1 PHE 18 -31.144 4.627 19.235 144 HE2 PHE 18 HE2 PHE 18 -28.465 7.721 18.042 145 HZ PHE 18 HZ PHE 18 -29.451 6.319 19.811 146 H SER 19 H SER 19 -30.622 7.165 12.278 147 HA SER 19 HA SER 19 -32.680 6.831 10.273 148 1HB SER 19 1HB SER 19 -30.885 7.484 8.681 149 2HB SER 19 2HB SER 19 -31.085 8.646 9.993 150 HG SER 19 HG SER 19 -29.310 7.494 11.039 151 H VAL 20 H VAL 20 -33.188 4.912 9.480 152 HA VAL 20 HA VAL 20 -31.148 2.794 9.456 153 HB VAL 20 HB VAL 20 -34.133 2.448 9.178 154 1HG1 VAL 20 1HG1 VAL 20 -33.658 0.111 9.709 155 2HG1 VAL 20 2HG1 VAL 20 -31.935 0.475 9.788 156 3HG1 VAL 20 3HG1 VAL 20 -32.798 0.624 8.257 157 1HG2 VAL 20 1HG2 VAL 20 -34.096 1.710 11.529 158 2HG2 VAL 20 2HG2 VAL 20 -33.665 3.410 11.350 159 3HG2 VAL 20 3HG2 VAL 20 -32.409 2.208 11.641 160 H SER 21 H SER 21 -30.496 1.884 7.593 161 HA SER 21 HA SER 21 -32.028 2.351 5.148 162 1HB SER 21 1HB SER 21 -29.090 3.026 5.435 163 2HB SER 21 2HB SER 21 -29.997 3.050 3.923 164 HG SER 21 HG SER 21 -29.704 5.062 5.418 165 H SER 22 H SER 22 -31.505 0.902 3.424 166 HA SER 22 HA SER 22 -30.041 -1.498 4.308 167 1HB SER 22 1HB SER 22 -32.450 -1.929 4.221 168 2HB SER 22 2HB SER 22 -32.503 -1.361 2.553 169 HG SER 22 HG SER 22 -30.656 -3.348 3.055 170 H LEU 23 H LEU 23 -28.956 -2.712 2.681 171 HA LEU 23 HA LEU 23 -27.581 -2.968 0.892 172 1HB LEU 23 1HB LEU 23 -29.831 -2.726 -0.266 173 2HB LEU 23 2HB LEU 23 -29.390 -1.058 -0.578 174 HG LEU 23 HG LEU 23 -27.352 -1.931 -1.789 175 1HD1 LEU 23 1HD1 LEU 23 -27.477 -4.266 -2.572 176 2HD1 LEU 23 2HD1 LEU 23 -28.835 -4.535 -1.479 177 3HD1 LEU 23 3HD1 LEU 23 -27.245 -4.140 -0.828 178 1HD2 LEU 23 1HD2 LEU 23 -29.326 -1.121 -2.973 179 2HD2 LEU 23 2HD2 LEU 23 -30.061 -2.719 -2.857 180 3HD2 LEU 23 3HD2 LEU 23 -28.599 -2.489 -3.815 181 H ALA 24 H ALA 24 -27.633 -0.378 2.683 182 HA ALA 24 HA ALA 24 -25.217 0.702 1.606 183 1HB ALA 24 1HB ALA 24 -25.995 2.978 1.218 184 2HB ALA 24 2HB ALA 24 -27.649 2.485 1.576 185 3HB ALA 24 3HB ALA 24 -26.825 1.842 0.155 186 H GLU 25 H GLU 25 -24.493 0.113 3.678 187 HA GLU 25 HA GLU 25 -24.613 2.181 5.611 188 1HB GLU 25 1HB GLU 25 -26.807 1.118 6.056 189 2HB GLU 25 2HB GLU 25 -25.985 -0.404 6.373 190 1HG GLU 25 1HG GLU 25 -24.838 0.591 8.270 191 2HG GLU 25 2HG GLU 25 -25.611 2.139 7.939 192 H GLY 26 H GLY 26 -23.806 -1.118 4.761 193 1HA GLY 26 1HA GLY 26 -21.363 -0.864 6.404 194 2HA GLY 26 2HA GLY 26 -22.255 -2.374 6.299 195 H SER 27 H SER 27 -22.826 -1.984 3.433 196 HA SER 27 HA SER 27 -20.343 -3.091 2.435 197 1HB SER 27 1HB SER 27 -21.643 -3.557 0.386 198 2HB SER 27 2HB SER 27 -22.454 -4.168 1.826 199 HG SER 27 HG SER 27 -23.068 -1.590 0.928 200 H VAL 28 H VAL 28 -21.473 -0.032 2.803 201 HA VAL 28 HA VAL 28 -20.246 0.955 0.321 202 HB VAL 28 HB VAL 28 -22.400 1.873 0.536 203 1HG1 VAL 28 1HG1 VAL 28 -23.360 2.848 2.467 204 2HG1 VAL 28 2HG1 VAL 28 -21.824 2.792 3.329 205 3HG1 VAL 28 3HG1 VAL 28 -22.677 1.296 2.949 206 1HG2 VAL 28 1HG2 VAL 28 -20.656 3.487 -0.084 207 2HG2 VAL 28 2HG2 VAL 28 -20.525 3.963 1.609 208 3HG2 VAL 28 3HG2 VAL 28 -22.023 4.251 0.725 209 H THR 29 H THR 29 -20.517 2.064 3.675 210 HA THR 29 HA THR 29 -19.148 3.289 4.961 211 HB THR 29 HB THR 29 -16.882 2.338 5.295 212 HG1 THR 29 HG1 THR 29 -16.607 1.751 3.018 213 1HG2 THR 29 1HG2 THR 29 -19.056 0.259 5.033 214 2HG2 THR 29 2HG2 THR 29 -18.836 1.343 6.406 215 3HG2 THR 29 3HG2 THR 29 -17.608 0.131 6.033 216 H SER 30 H SER 30 -16.399 3.904 4.751 217 HA SER 30 HA SER 30 -16.288 5.537 2.306 218 1HB SER 30 1HB SER 30 -15.340 7.395 3.636 219 2HB SER 30 2HB SER 30 -16.976 6.988 4.151 220 HG SER 30 HG SER 30 -16.177 6.026 5.953 221 H VAL 31 H VAL 31 -14.592 4.922 1.164 222 HA VAL 31 HA VAL 31 -12.553 4.096 0.575 223 HB VAL 31 HB VAL 31 -11.532 5.504 3.038 224 1HG1 VAL 31 1HG1 VAL 31 -9.560 5.880 1.526 225 2HG1 VAL 31 2HG1 VAL 31 -10.312 4.755 0.392 226 3HG1 VAL 31 3HG1 VAL 31 -9.838 4.204 1.997 227 1HG2 VAL 31 1HG2 VAL 31 -13.003 7.021 1.834 228 2HG2 VAL 31 2HG2 VAL 31 -12.161 6.667 0.324 229 3HG2 VAL 31 3HG2 VAL 31 -11.319 7.506 1.627 230 H GLY 32 H GLY 32 -11.581 4.125 3.944 231 1HA GLY 32 1HA GLY 32 -12.111 1.325 4.363 232 2HA GLY 32 2HA GLY 32 -10.415 1.673 4.060 233 H SER 33 H SER 33 -10.436 4.249 5.352 234 HA SER 33 HA SER 33 -9.995 5.162 7.382 235 1HB SER 33 1HB SER 33 -12.241 3.333 8.262 236 2HB SER 33 2HB SER 33 -11.577 4.657 9.221 237 HG SER 33 HG SER 33 -12.436 6.105 7.849 238 H VAL 34 H VAL 34 -8.793 2.471 6.549 239 HA VAL 34 HA VAL 34 -7.273 2.107 8.957 240 HB VAL 34 HB VAL 34 -9.244 0.692 9.436 241 1HG1 VAL 34 1HG1 VAL 34 -9.620 -1.350 8.144 242 2HG1 VAL 34 2HG1 VAL 34 -8.358 -0.867 7.009 243 3HG1 VAL 34 3HG1 VAL 34 -9.834 0.090 7.147 244 1HG2 VAL 34 1HG2 VAL 34 -7.084 0.117 10.391 245 2HG2 VAL 34 2HG2 VAL 34 -6.683 -0.827 8.955 246 3HG2 VAL 34 3HG2 VAL 34 -7.999 -1.343 10.010 247 H ASN 35 H ASN 35 -7.990 1.244 5.646 248 HA ASN 35 HA ASN 35 -5.206 1.059 5.012 249 1HB ASN 35 1HB ASN 35 -5.918 -1.230 6.004 250 2HB ASN 35 2HB ASN 35 -6.733 -1.464 4.462 251 1HD2 ASN 35 1HD2 ASN 35 -3.738 0.303 4.910 252 2HD2 ASN 35 2HD2 ASN 35 -2.737 -0.806 4.043 253 HA PRO 36 HA PRO 36 -7.380 2.271 1.278 254 1HB PRO 36 1HB PRO 36 -5.313 3.380 -0.005 255 2HB PRO 36 2HB PRO 36 -6.042 4.173 1.398 256 1HG PRO 36 1HG PRO 36 -3.550 2.523 1.232 257 2HG PRO 36 2HG PRO 36 -3.830 4.044 2.098 258 1HD PRO 36 1HD PRO 36 -3.897 1.566 3.283 259 2HD PRO 36 2HD PRO 36 -4.767 2.986 3.899 260 H ALA 37 H ALA 37 -4.563 0.301 1.592 261 HA ALA 37 HA ALA 37 -4.419 -0.599 -1.111 262 1HB ALA 37 1HB ALA 37 -3.221 -1.641 1.449 263 2HB ALA 37 2HB ALA 37 -2.436 -0.649 0.220 264 3HB ALA 37 3HB ALA 37 -2.878 -2.317 -0.144 265 H GLU 38 H GLU 38 -6.197 -1.550 1.720 266 HA GLU 38 HA GLU 38 -6.703 -4.207 1.121 267 1HB GLU 38 1HB GLU 38 -8.281 -4.189 2.762 268 2HB GLU 38 2HB GLU 38 -7.353 -2.760 3.197 269 1HG GLU 38 1HG GLU 38 -9.014 -1.362 2.008 270 2HG GLU 38 2HG GLU 38 -9.975 -2.812 1.717 271 H ASN 39 H ASN 39 -7.821 -1.382 -0.472 272 HA ASN 39 HA ASN 39 -10.160 -2.470 -1.658 273 1HB ASN 39 1HB ASN 39 -9.639 -0.030 -1.636 274 2HB ASN 39 2HB ASN 39 -8.315 -0.328 -2.761 275 1HD2 ASN 39 1HD2 ASN 39 -8.784 -0.924 -4.888 276 2HD2 ASN 39 2HD2 ASN 39 -10.339 -0.647 -5.586 277 H PHE 40 H PHE 40 -6.852 -2.005 -2.893 278 HA PHE 40 HA PHE 40 -7.071 -3.422 -5.257 279 1HB PHE 40 1HB PHE 40 -4.898 -2.834 -5.346 280 2HB PHE 40 2HB PHE 40 -4.950 -2.374 -3.651 281 HD1 PHE 40 HD1 PHE 40 -4.154 -5.092 -5.997 282 HD2 PHE 40 HD2 PHE 40 -3.983 -3.752 -1.966 283 HE1 PHE 40 HE1 PHE 40 -2.583 -6.905 -5.465 284 HE2 PHE 40 HE2 PHE 40 -2.412 -5.563 -1.426 285 HZ PHE 40 HZ PHE 40 -1.763 -7.182 -3.163 286 H ARG 41 H ARG 41 -6.462 -4.505 -1.969 287 HA ARG 41 HA ARG 41 -6.055 -7.227 -2.444 288 1HB ARG 41 1HB ARG 41 -7.283 -5.788 -0.100 289 2HB ARG 41 2HB ARG 41 -6.945 -7.513 -0.103 290 1HG ARG 41 1HG ARG 41 -4.597 -7.080 -0.326 291 2HG ARG 41 2HG ARG 41 -4.904 -5.346 -0.476 292 1HD ARG 41 1HD ARG 41 -4.683 -6.965 1.886 293 2HD ARG 41 2HD ARG 41 -4.716 -5.208 1.725 294 HE ARG 41 HE ARG 41 -7.272 -5.678 1.556 295 1HH1 ARG 41 1HH1 ARG 41 -4.970 -7.283 3.621 296 2HH1 ARG 41 2HH1 ARG 41 -6.133 -7.635 4.856 297 1HH2 ARG 41 1HH2 ARG 41 -8.808 -6.141 3.175 298 2HH2 ARG 41 2HH2 ARG 41 -8.313 -6.987 4.603 299 H VAL 42 H VAL 42 -9.002 -5.345 -2.015 300 HA VAL 42 HA VAL 42 -10.817 -7.462 -1.889 301 HB VAL 42 HB VAL 42 -11.068 -4.590 -2.704 302 1HG1 VAL 42 1HG1 VAL 42 -13.512 -4.936 -2.983 303 2HG1 VAL 42 2HG1 VAL 42 -13.225 -6.676 -2.984 304 3HG1 VAL 42 3HG1 VAL 42 -12.546 -5.669 -4.263 305 1HG2 VAL 42 1HG2 VAL 42 -12.429 -6.246 -0.586 306 2HG2 VAL 42 2HG2 VAL 42 -12.538 -4.496 -0.783 307 3HG2 VAL 42 3HG2 VAL 42 -11.003 -5.238 -0.330 308 H LEU 43 H LEU 43 -9.615 -5.633 -4.704 309 HA LEU 43 HA LEU 43 -11.126 -7.096 -6.586 310 1HB LEU 43 1HB LEU 43 -8.531 -5.609 -6.952 311 2HB LEU 43 2HB LEU 43 -9.516 -6.236 -8.265 312 HG LEU 43 HG LEU 43 -11.361 -4.759 -6.964 313 1HD1 LEU 43 1HD1 LEU 43 -9.828 -2.562 -6.705 314 2HD1 LEU 43 2HD1 LEU 43 -8.721 -3.810 -6.125 315 3HD1 LEU 43 3HD1 LEU 43 -10.303 -3.611 -5.368 316 1HD2 LEU 43 1HD2 LEU 43 -11.005 -3.062 -8.669 317 2HD2 LEU 43 2HD2 LEU 43 -10.844 -4.680 -9.354 318 3HD2 LEU 43 3HD2 LEU 43 -9.404 -3.718 -9.008 319 H VAL 44 H VAL 44 -7.845 -7.626 -5.314 320 HA VAL 44 HA VAL 44 -7.299 -9.804 -7.067 321 HB VAL 44 HB VAL 44 -5.343 -10.251 -5.793 322 1HG1 VAL 44 1HG1 VAL 44 -4.216 -8.171 -5.819 323 2HG1 VAL 44 2HG1 VAL 44 -5.713 -7.279 -5.565 324 3HG1 VAL 44 3HG1 VAL 44 -5.430 -8.106 -7.096 325 1HG2 VAL 44 1HG2 VAL 44 -6.483 -8.515 -3.614 326 2HG2 VAL 44 2HG2 VAL 44 -4.899 -9.292 -3.605 327 3HG2 VAL 44 3HG2 VAL 44 -6.362 -10.273 -3.577 328 H LYS 45 H LYS 45 -8.885 -9.503 -3.985 329 HA LYS 45 HA LYS 45 -8.875 -12.380 -3.546 330 1HB LYS 45 1HB LYS 45 -9.662 -11.950 -1.380 331 2HB LYS 45 2HB LYS 45 -8.587 -10.595 -1.702 332 1HG LYS 45 1HG LYS 45 -10.486 -9.177 -2.205 333 2HG LYS 45 2HG LYS 45 -11.590 -10.532 -1.969 334 1HD LYS 45 1HD LYS 45 -11.602 -9.198 0.023 335 2HD LYS 45 2HD LYS 45 -10.765 -10.711 0.374 336 1HE LYS 45 1HE LYS 45 -8.618 -9.610 0.155 337 2HE LYS 45 2HE LYS 45 -9.409 -8.104 -0.311 338 1HZ LYS 45 1HZ LYS 45 -9.728 -9.455 2.315 339 2HZ LYS 45 2HZ LYS 45 -10.416 -7.977 1.865 340 3HZ LYS 45 3HZ LYS 45 -8.737 -8.115 2.024 341 H GLN 46 H GLN 46 -10.778 -10.051 -5.091 342 HA GLN 46 HA GLN 46 -13.141 -11.809 -5.016 343 1HB GLN 46 1HB GLN 46 -12.969 -8.851 -5.620 344 2HB GLN 46 2HB GLN 46 -14.440 -9.810 -5.715 345 1HG GLN 46 1HG GLN 46 -12.806 -9.372 -3.230 346 2HG GLN 46 2HG GLN 46 -14.280 -8.503 -3.641 347 1HE2 GLN 46 1HE2 GLN 46 -12.926 -11.528 -2.603 348 2HE2 GLN 46 2HE2 GLN 46 -14.411 -12.265 -2.120 349 H LYS 47 H LYS 47 -14.387 -10.524 -7.269 350 HA LYS 47 HA LYS 47 -12.833 -11.783 -9.419 351 1HB LYS 47 1HB LYS 47 -14.904 -11.968 -10.620 352 2HB LYS 47 2HB LYS 47 -15.185 -12.526 -8.975 353 1HG LYS 47 1HG LYS 47 -16.187 -10.375 -8.408 354 2HG LYS 47 2HG LYS 47 -15.892 -9.800 -10.049 355 1HD LYS 47 1HD LYS 47 -17.620 -12.170 -9.321 356 2HD LYS 47 2HD LYS 47 -18.223 -10.554 -9.697 357 1HE LYS 47 1HE LYS 47 -16.682 -12.372 -11.547 358 2HE LYS 47 2HE LYS 47 -18.402 -11.996 -11.641 359 1HZ LYS 47 1HZ LYS 47 -16.187 -10.045 -11.971 360 2HZ LYS 47 2HZ LYS 47 -17.837 -9.685 -12.064 361 3HZ LYS 47 3HZ LYS 47 -17.125 -10.694 -13.220 362 H LYS 48 H LYS 48 -13.488 -8.763 -8.174 363 HA LYS 48 HA LYS 48 -14.080 -7.084 -10.236 364 1HB LYS 48 1HB LYS 48 -12.589 -6.837 -7.723 365 2HB LYS 48 2HB LYS 48 -12.200 -5.619 -8.926 366 1HG LYS 48 1HG LYS 48 -13.916 -4.751 -7.541 367 2HG LYS 48 2HG LYS 48 -14.636 -5.123 -9.110 368 1HD LYS 48 1HD LYS 48 -16.174 -5.918 -7.520 369 2HD LYS 48 2HD LYS 48 -15.312 -7.353 -8.080 370 1HE LYS 48 1HE LYS 48 -13.873 -7.269 -6.117 371 2HE LYS 48 2HE LYS 48 -14.692 -5.806 -5.565 372 1HZ LYS 48 1HZ LYS 48 -15.524 -7.764 -4.427 373 2HZ LYS 48 2HZ LYS 48 -15.956 -8.475 -5.899 374 3HZ LYS 48 3HZ LYS 48 -16.744 -7.073 -5.374 375 H ALA 49 H ALA 49 -10.681 -7.179 -9.218 376 HA ALA 49 HA ALA 49 -9.911 -7.259 -12.067 377 1HB ALA 49 1HB ALA 49 -9.733 -4.989 -11.112 378 2HB ALA 49 2HB ALA 49 -8.192 -5.646 -11.659 379 3HB ALA 49 3HB ALA 49 -8.572 -5.613 -9.938 380 H SER 50 H SER 50 -7.511 -7.693 -12.307 381 HA SER 50 HA SER 50 -6.856 -10.099 -10.843 382 1HB SER 50 1HB SER 50 -4.833 -10.068 -12.409 383 2HB SER 50 2HB SER 50 -6.415 -10.218 -13.181 384 HG SER 50 HG SER 50 -6.288 -7.855 -13.412 385 H PHE 51 H PHE 51 -4.436 -10.311 -10.177 386 HA PHE 51 HA PHE 51 -3.976 -8.492 -8.094 387 1HB PHE 51 1HB PHE 51 -3.084 -10.853 -8.251 388 2HB PHE 51 2HB PHE 51 -1.861 -10.233 -9.360 389 HD1 PHE 51 HD1 PHE 51 -0.022 -8.944 -8.581 390 HD2 PHE 51 HD2 PHE 51 -3.091 -10.160 -5.896 391 HE1 PHE 51 HE1 PHE 51 1.406 -8.332 -6.678 392 HE2 PHE 51 HE2 PHE 51 -1.666 -9.546 -3.986 393 HZ PHE 51 HZ PHE 51 0.533 -8.552 -4.362 394 H GLU 52 H GLU 52 -3.339 -8.237 -11.418 395 HA GLU 52 HA GLU 52 -1.136 -6.395 -11.097 396 1HB GLU 52 1HB GLU 52 -0.799 -6.579 -13.372 397 2HB GLU 52 2HB GLU 52 -1.557 -8.120 -13.010 398 1HG GLU 52 1HG GLU 52 -3.717 -7.200 -13.757 399 2HG GLU 52 2HG GLU 52 -2.893 -5.710 -14.211 400 H GLU 53 H GLU 53 -4.443 -6.139 -12.455 401 HA GLU 53 HA GLU 53 -4.360 -3.327 -12.745 402 1HB GLU 53 1HB GLU 53 -6.033 -4.542 -13.942 403 2HB GLU 53 2HB GLU 53 -6.648 -5.277 -12.474 404 1HG GLU 53 1HG GLU 53 -7.665 -3.298 -11.767 405 2HG GLU 53 2HG GLU 53 -6.743 -2.318 -12.909 406 H ALA 54 H ALA 54 -5.352 -5.454 -10.144 407 HA ALA 54 HA ALA 54 -6.468 -3.507 -8.454 408 1HB ALA 54 1HB ALA 54 -6.101 -5.185 -6.669 409 2HB ALA 54 2HB ALA 54 -5.181 -6.155 -7.821 410 3HB ALA 54 3HB ALA 54 -6.895 -5.845 -8.099 411 H SER 55 H SER 55 -3.200 -5.000 -8.430 412 HA SER 55 HA SER 55 -2.193 -3.327 -6.391 413 1HB SER 55 1HB SER 55 -0.712 -4.736 -8.626 414 2HB SER 55 2HB SER 55 0.050 -3.998 -7.218 415 HG SER 55 HG SER 55 -0.193 -6.067 -6.630 416 H ASN 56 H ASN 56 -2.625 -2.970 -9.802 417 HA ASN 56 HA ASN 56 -0.936 -0.763 -10.240 418 1HB ASN 56 1HB ASN 56 -3.232 -2.031 -11.676 419 2HB ASN 56 2HB ASN 56 -2.798 -0.385 -12.139 420 1HD2 ASN 56 1HD2 ASN 56 0.022 -0.739 -11.564 421 2HD2 ASN 56 2HD2 ASN 56 0.658 -1.727 -12.829 422 H GLN 57 H GLN 57 -4.359 -1.000 -9.370 423 HA GLN 57 HA GLN 57 -4.764 1.824 -9.306 424 1HB GLN 57 1HB GLN 57 -6.592 0.124 -9.579 425 2HB GLN 57 2HB GLN 57 -6.363 -0.324 -7.894 426 1HG GLN 57 1HG GLN 57 -6.960 1.940 -7.208 427 2HG GLN 57 2HG GLN 57 -7.187 2.391 -8.897 428 1HE2 GLN 57 1HE2 GLN 57 -8.953 1.555 -10.034 429 2HE2 GLN 57 2HE2 GLN 57 -10.324 0.889 -9.221 430 H LEU 58 H LEU 58 -3.562 -0.568 -7.092 431 HA LEU 58 HA LEU 58 -3.870 0.927 -4.700 432 1HB LEU 58 1HB LEU 58 -3.170 -1.609 -5.147 433 2HB LEU 58 2HB LEU 58 -1.556 -0.940 -5.053 434 HG LEU 58 HG LEU 58 -3.566 -1.364 -2.895 435 1HD1 LEU 58 1HD1 LEU 58 -1.749 -2.181 -1.694 436 2HD1 LEU 58 2HD1 LEU 58 -0.576 -1.303 -2.677 437 3HD1 LEU 58 3HD1 LEU 58 -1.423 -2.700 -3.350 438 1HD2 LEU 58 1HD2 LEU 58 -2.439 0.312 -1.457 439 2HD2 LEU 58 2HD2 LEU 58 -3.373 1.033 -2.767 440 3HD2 LEU 58 3HD2 LEU 58 -1.616 0.940 -2.886 441 H ILE 59 H ILE 59 -0.999 0.412 -6.791 442 HA ILE 59 HA ILE 59 0.629 2.270 -5.413 443 HB ILE 59 HB ILE 59 0.893 1.762 -8.385 444 1HG1 ILE 59 1HG1 ILE 59 2.331 -0.070 -6.588 445 2HG1 ILE 59 2HG1 ILE 59 0.589 -0.310 -6.627 446 1HG2 ILE 59 1HG2 ILE 59 2.883 2.230 -6.176 447 2HG2 ILE 59 2HG2 ILE 59 2.397 3.381 -7.421 448 3HG2 ILE 59 3HG2 ILE 59 3.288 1.924 -7.866 449 1HD1 ILE 59 1HD1 ILE 59 1.795 -1.731 -8.194 450 2HD1 ILE 59 2HD1 ILE 59 2.404 -0.297 -9.019 451 3HD1 ILE 59 3HD1 ILE 59 0.674 -0.645 -9.009 452 H ASN 60 H ASN 60 -1.567 2.518 -8.176 453 HA ASN 60 HA ASN 60 -1.066 5.115 -9.019 454 1HB ASN 60 1HB ASN 60 -3.440 3.312 -9.104 455 2HB ASN 60 2HB ASN 60 -3.656 4.997 -9.559 456 1HD2 ASN 60 1HD2 ASN 60 -3.877 2.585 -11.169 457 2HD2 ASN 60 2HD2 ASN 60 -2.751 2.765 -12.465 458 H HIS 61 H HIS 61 -3.387 3.962 -6.588 459 HA HIS 61 HA HIS 61 -4.362 6.483 -5.834 460 1HB HIS 61 1HB HIS 61 -5.705 5.050 -4.738 461 2HB HIS 61 2HB HIS 61 -4.532 3.746 -4.915 462 HD1 HIS 61 HD1 HIS 61 -2.637 3.669 -3.046 463 HD2 HIS 61 HD2 HIS 61 -5.960 6.001 -2.201 464 HE1 HIS 61 HE1 HIS 61 -2.567 4.054 -0.581 465 HE2 HIS 61 HE2 HIS 61 -4.508 5.586 -0.099 466 H ILE 62 H ILE 62 -1.608 4.576 -4.851 467 HA ILE 62 HA ILE 62 -0.700 6.208 -2.739 468 HB ILE 62 HB ILE 62 0.778 4.316 -4.567 469 1HG1 ILE 62 1HG1 ILE 62 -0.994 3.405 -3.054 470 2HG1 ILE 62 2HG1 ILE 62 0.614 2.756 -2.769 471 1HG2 ILE 62 1HG2 ILE 62 2.537 4.370 -2.768 472 2HG2 ILE 62 2HG2 ILE 62 1.743 5.822 -2.156 473 3HG2 ILE 62 3HG2 ILE 62 2.425 5.808 -3.783 474 1HD1 ILE 62 1HD1 ILE 62 -0.651 3.254 -0.710 475 2HD1 ILE 62 2HD1 ILE 62 -0.644 4.959 -1.160 476 3HD1 ILE 62 3HD1 ILE 62 0.877 4.129 -0.825 477 H GLU 63 H GLU 63 -0.445 6.417 -6.202 478 HA GLU 63 HA GLU 63 1.689 8.310 -6.251 479 1HB GLU 63 1HB GLU 63 -0.405 7.611 -8.317 480 2HB GLU 63 2HB GLU 63 0.943 8.704 -8.608 481 1HG GLU 63 1HG GLU 63 2.504 6.880 -8.092 482 2HG GLU 63 2HG GLU 63 1.139 5.791 -7.883 483 H GLN 64 H GLN 64 -1.852 8.511 -6.410 484 HA GLN 64 HA GLN 64 -2.110 11.273 -6.672 485 1HB GLN 64 1HB GLN 64 -4.022 9.718 -6.775 486 2HB GLN 64 2HB GLN 64 -3.844 9.380 -5.059 487 1HG GLN 64 1HG GLN 64 -4.398 11.681 -4.526 488 2HG GLN 64 2HG GLN 64 -4.522 12.063 -6.244 489 1HE2 GLN 64 1HE2 GLN 64 -6.662 12.703 -6.051 490 2HE2 GLN 64 2HE2 GLN 64 -7.947 11.571 -5.819 491 H PHE 65 H PHE 65 -1.872 9.267 -3.746 492 HA PHE 65 HA PHE 65 -1.814 11.364 -1.889 493 1HB PHE 65 1HB PHE 65 -1.836 9.530 -0.571 494 2HB PHE 65 2HB PHE 65 -1.218 8.512 -1.869 495 HD1 PHE 65 HD1 PHE 65 0.777 7.482 -1.528 496 HD2 PHE 65 HD2 PHE 65 0.021 11.186 0.426 497 HE1 PHE 65 HE1 PHE 65 2.981 7.369 -0.463 498 HE2 PHE 65 HE2 PHE 65 2.231 11.069 1.499 499 HZ PHE 65 HZ PHE 65 3.712 9.164 1.045 500 H LEU 66 H LEU 66 0.881 9.609 -3.440 501 HA LEU 66 HA LEU 66 2.944 11.125 -2.365 502 1HB LEU 66 1HB LEU 66 2.692 9.473 -4.851 503 2HB LEU 66 2HB LEU 66 4.151 10.420 -4.575 504 HG LEU 66 HG LEU 66 3.065 8.293 -2.717 505 1HD1 LEU 66 1HD1 LEU 66 4.970 6.968 -3.406 506 2HD1 LEU 66 2HD1 LEU 66 5.468 8.239 -4.526 507 3HD1 LEU 66 3HD1 LEU 66 3.956 7.367 -4.793 508 1HD2 LEU 66 1HD2 LEU 66 5.092 8.560 -1.450 509 2HD2 LEU 66 2HD2 LEU 66 4.294 10.129 -1.575 510 3HD2 LEU 66 3HD2 LEU 66 5.693 9.766 -2.587 511 H ASP 67 H ASP 67 0.587 11.970 -4.668 512 HA ASP 67 HA ASP 67 2.089 14.113 -5.857 513 1HB ASP 67 1HB ASP 67 0.151 13.018 -7.016 514 2HB ASP 67 2HB ASP 67 -0.916 13.728 -5.811 515 H THR 68 H THR 68 -0.294 13.690 -3.270 516 HA THR 68 HA THR 68 -0.472 16.430 -2.556 517 HB THR 68 HB THR 68 -1.974 14.431 -1.762 518 HG1 THR 68 HG1 THR 68 -2.003 15.871 0.399 519 1HG2 THR 68 1HG2 THR 68 0.298 14.317 0.169 520 2HG2 THR 68 2HG2 THR 68 -0.674 13.010 -0.503 521 3HG2 THR 68 3HG2 THR 68 -1.341 14.046 0.753 522 H ASN 69 H ASN 69 0.149 16.865 -0.021 523 HA ASN 69 HA ASN 69 3.060 16.415 0.101 524 1HB ASN 69 1HB ASN 69 1.362 18.756 0.939 525 2HB ASN 69 2HB ASN 69 3.030 18.562 1.487 526 1HD2 ASN 69 1HD2 ASN 69 1.806 20.630 -0.178 527 2HD2 ASN 69 2HD2 ASN 69 2.701 20.641 -1.656 528 H GLU 70 H GLU 70 0.352 15.296 1.448 529 HA GLU 70 HA GLU 70 0.991 15.486 4.249 530 1HB GLU 70 1HB GLU 70 -0.929 13.519 3.025 531 2HB GLU 70 2HB GLU 70 -0.989 14.263 4.618 532 1HG GLU 70 1HG GLU 70 -1.202 15.984 2.197 533 2HG GLU 70 2HG GLU 70 -2.598 15.042 2.713 534 H THR 71 H THR 71 2.089 14.024 5.501 535 HA THR 71 HA THR 71 3.227 11.730 4.085 536 HB THR 71 HB THR 71 4.817 11.537 5.994 537 HG1 THR 71 HG1 THR 71 4.548 12.824 7.657 538 1HG2 THR 71 1HG2 THR 71 6.210 13.415 5.253 539 2HG2 THR 71 2HG2 THR 71 4.808 14.161 4.484 540 3HG2 THR 71 3HG2 THR 71 5.428 12.619 3.886 541 HA PRO 72 HA PRO 72 1.032 10.028 8.214 542 1HB PRO 72 1HB PRO 72 -1.587 10.671 6.944 543 2HB PRO 72 2HB PRO 72 -1.167 10.566 8.657 544 1HG PRO 72 1HG PRO 72 -1.505 12.919 7.448 545 2HG PRO 72 2HG PRO 72 -0.276 12.680 8.706 546 1HD PRO 72 1HD PRO 72 0.057 12.977 5.771 547 2HD PRO 72 2HD PRO 72 1.160 13.424 7.086 548 H TYR 73 H TYR 73 0.298 10.393 4.886 549 HA TYR 73 HA TYR 73 -0.589 7.680 4.459 550 1HB TYR 73 1HB TYR 73 -0.131 9.896 2.460 551 2HB TYR 73 2HB TYR 73 -1.068 8.428 2.202 552 HD1 TYR 73 HD1 TYR 73 -2.011 11.324 1.814 553 HD2 TYR 73 HD2 TYR 73 -2.317 8.632 5.091 554 HE1 TYR 73 HE1 TYR 73 -4.023 12.504 2.585 555 HE2 TYR 73 HE2 TYR 73 -4.335 9.802 5.871 556 HH TYR 73 HH TYR 73 -5.376 12.021 5.655 557 H PHE 74 H PHE 74 2.433 9.376 4.352 558 HA PHE 74 HA PHE 74 3.592 7.806 2.293 559 1HB PHE 74 1HB PHE 74 5.500 9.031 2.496 560 2HB PHE 74 2HB PHE 74 4.321 10.138 3.153 561 HD1 PHE 74 HD1 PHE 74 7.405 10.184 3.515 562 HD2 PHE 74 HD2 PHE 74 4.225 8.637 5.868 563 HE1 PHE 74 HE1 PHE 74 8.791 10.410 5.530 564 HE2 PHE 74 HE2 PHE 74 5.602 8.867 7.888 565 HZ PHE 74 HZ PHE 74 8.035 10.025 7.575 566 H MET 75 H MET 75 3.581 7.446 5.798 567 HA MET 75 HA MET 75 5.254 5.095 5.638 568 1HB MET 75 1HB MET 75 3.994 4.913 8.075 569 2HB MET 75 2HB MET 75 5.509 5.754 7.786 570 1HG MET 75 1HG MET 75 4.622 7.759 8.092 571 2HG MET 75 2HG MET 75 3.108 7.361 7.291 572 1HE MET 75 1HE MET 75 1.146 5.518 10.134 573 2HE MET 75 2HE MET 75 2.143 4.800 8.868 574 3HE MET 75 3HE MET 75 1.073 6.149 8.490 575 H LYS 76 H LYS 76 1.914 5.990 5.687 576 HA LYS 76 HA LYS 76 0.824 3.379 5.904 577 1HB LYS 76 1HB LYS 76 -0.513 5.355 6.402 578 2HB LYS 76 2HB LYS 76 -0.304 5.939 4.761 579 1HG LYS 76 1HG LYS 76 -1.395 3.385 4.498 580 2HG LYS 76 2HG LYS 76 -2.273 4.152 5.823 581 1HD LYS 76 1HD LYS 76 -3.336 4.580 3.657 582 2HD LYS 76 2HD LYS 76 -2.769 6.068 4.414 583 1HE LYS 76 1HE LYS 76 -0.861 6.153 2.983 584 2HE LYS 76 2HE LYS 76 -1.199 4.545 2.342 585 1HZ LYS 76 1HZ LYS 76 -2.888 6.962 1.963 586 2HZ LYS 76 2HZ LYS 76 -3.238 5.421 1.360 587 3HZ LYS 76 3HZ LYS 76 -1.883 6.263 0.795 588 H SER 77 H SER 77 2.233 5.300 3.406 589 HA SER 77 HA SER 77 1.262 3.839 1.157 590 1HB SER 77 1HB SER 77 2.678 5.139 -0.126 591 2HB SER 77 2HB SER 77 2.611 6.158 1.311 592 HG SER 77 HG SER 77 4.737 5.912 0.868 593 H ILE 78 H ILE 78 4.234 3.812 3.099 594 HA ILE 78 HA ILE 78 5.489 1.629 1.942 595 HB ILE 78 HB ILE 78 5.933 3.170 4.238 596 1HG1 ILE 78 1HG1 ILE 78 8.076 1.938 4.339 597 2HG1 ILE 78 2HG1 ILE 78 7.421 0.751 3.212 598 1HG2 ILE 78 1HG2 ILE 78 5.745 0.266 5.045 599 2HG2 ILE 78 2HG2 ILE 78 4.624 1.532 5.547 600 3HG2 ILE 78 3HG2 ILE 78 6.319 1.606 6.041 601 1HD1 ILE 78 1HD1 ILE 78 8.905 2.697 2.357 602 2HD1 ILE 78 2HD1 ILE 78 7.409 3.629 2.477 603 3HD1 ILE 78 3HD1 ILE 78 7.479 2.195 1.447 604 H ASP 79 H ASP 79 2.871 1.840 4.251 605 HA ASP 79 HA ASP 79 2.658 -0.902 4.847 606 1HB ASP 79 1HB ASP 79 0.934 1.498 5.172 607 2HB ASP 79 2HB ASP 79 0.138 -0.066 5.273 608 H CYS 80 H CYS 80 1.155 1.105 2.320 609 HA CYS 80 HA CYS 80 -0.590 -0.852 1.305 610 1HB CYS 80 1HB CYS 80 -0.936 0.560 -0.478 611 2HB CYS 80 2HB CYS 80 -0.220 1.702 0.650 612 HG CYS 80 HG CYS 80 0.720 1.103 -2.346 613 H ILE 81 H ILE 81 2.752 -0.019 0.486 614 HA ILE 81 HA ILE 81 3.234 -1.891 -1.507 615 HB ILE 81 HB ILE 81 4.982 -0.686 0.646 616 1HG1 ILE 81 1HG1 ILE 81 6.193 -0.143 -1.707 617 2HG1 ILE 81 2HG1 ILE 81 4.521 -0.290 -2.242 618 1HG2 ILE 81 1HG2 ILE 81 5.716 -2.935 -1.180 619 2HG2 ILE 81 2HG2 ILE 81 5.996 -2.763 0.555 620 3HG2 ILE 81 3HG2 ILE 81 6.923 -1.793 -0.590 621 1HD1 ILE 81 1HD1 ILE 81 5.375 1.464 0.036 622 2HD1 ILE 81 2HD1 ILE 81 3.821 1.449 -0.799 623 3HD1 ILE 81 3HD1 ILE 81 5.266 2.018 -1.636 624 H ARG 82 H ARG 82 3.432 -2.053 2.014 625 HA ARG 82 HA ARG 82 4.243 -4.698 2.362 626 1HB ARG 82 1HB ARG 82 3.034 -2.575 3.987 627 2HB ARG 82 2HB ARG 82 2.609 -4.193 4.524 628 1HG ARG 82 1HG ARG 82 4.485 -3.745 5.760 629 2HG ARG 82 2HG ARG 82 5.157 -4.628 4.390 630 1HD ARG 82 1HD ARG 82 5.804 -2.521 3.339 631 2HD ARG 82 2HD ARG 82 5.082 -1.619 4.666 632 HE ARG 82 HE ARG 82 7.049 -1.896 5.761 633 1HH1 ARG 82 1HH1 ARG 82 6.634 -4.633 3.631 634 2HH1 ARG 82 2HH1 ARG 82 8.100 -5.404 4.133 635 1HH2 ARG 82 1HH2 ARG 82 8.978 -2.910 6.418 636 2HH2 ARG 82 2HH2 ARG 82 9.433 -4.426 5.714 637 H ALA 83 H ALA 83 1.113 -3.289 1.694 638 HA ALA 83 HA ALA 83 -0.513 -5.492 2.345 639 1HB ALA 83 1HB ALA 83 -1.035 -3.400 0.242 640 2HB ALA 83 2HB ALA 83 -1.371 -3.208 1.961 641 3HB ALA 83 3HB ALA 83 -2.230 -4.435 1.025 642 H PHE 84 H PHE 84 0.600 -4.376 -0.855 643 HA PHE 84 HA PHE 84 -0.274 -6.752 -2.160 644 1HB PHE 84 1HB PHE 84 0.195 -5.632 -4.059 645 2HB PHE 84 2HB PHE 84 0.498 -4.252 -3.009 646 HD1 PHE 84 HD1 PHE 84 2.879 -3.887 -2.197 647 HD2 PHE 84 HD2 PHE 84 1.883 -6.507 -5.390 648 HE1 PHE 84 HE1 PHE 84 5.195 -3.772 -3.010 649 HE2 PHE 84 HE2 PHE 84 4.196 -6.400 -6.215 650 HZ PHE 84 HZ PHE 84 5.875 -5.088 -4.982 651 H ARG 85 H ARG 85 2.488 -6.027 -0.307 652 HA ARG 85 HA ARG 85 4.386 -7.671 -1.572 653 1HB ARG 85 1HB ARG 85 4.112 -6.446 1.123 654 2HB ARG 85 2HB ARG 85 5.279 -7.748 0.936 655 1HG ARG 85 1HG ARG 85 6.364 -6.500 -0.868 656 2HG ARG 85 2HG ARG 85 5.212 -5.187 -0.646 657 1HD ARG 85 1HD ARG 85 7.262 -4.647 0.498 658 2HD ARG 85 2HD ARG 85 5.993 -4.946 1.685 659 HE ARG 85 HE ARG 85 7.059 -7.297 1.729 660 1HH1 ARG 85 1HH1 ARG 85 8.773 -4.293 1.310 661 2HH1 ARG 85 2HH1 ARG 85 10.238 -4.880 2.022 662 1HH2 ARG 85 1HH2 ARG 85 8.984 -8.079 2.667 663 2HH2 ARG 85 2HH2 ARG 85 10.359 -7.032 2.790 664 H GLU 86 H GLU 86 2.599 -8.327 1.446 665 HA GLU 86 HA GLU 86 3.300 -11.051 1.564 666 1HB GLU 86 1HB GLU 86 0.942 -9.622 2.804 667 2HB GLU 86 2HB GLU 86 1.503 -11.227 3.252 668 1HG GLU 86 1HG GLU 86 3.619 -10.298 4.003 669 2HG GLU 86 2HG GLU 86 3.097 -8.685 3.513 670 H GLU 87 H GLU 87 0.590 -9.375 0.083 671 HA GLU 87 HA GLU 87 -0.998 -11.657 -0.412 672 1HB GLU 87 1HB GLU 87 -0.943 -8.851 -1.398 673 2HB GLU 87 2HB GLU 87 -1.842 -10.029 -2.345 674 1HG GLU 87 1HG GLU 87 -3.270 -8.858 -0.756 675 2HG GLU 87 2HG GLU 87 -3.203 -10.586 -0.424 676 H ALA 88 H ALA 88 1.395 -9.958 -2.429 677 HA ALA 88 HA ALA 88 1.063 -11.342 -4.796 678 1HB ALA 88 1HB ALA 88 3.484 -10.860 -5.217 679 2HB ALA 88 2HB ALA 88 3.574 -10.224 -3.573 680 3HB ALA 88 3HB ALA 88 2.509 -9.461 -4.757 681 H ILE 89 H ILE 89 3.131 -12.244 -2.035 682 HA ILE 89 HA ILE 89 4.260 -14.528 -3.165 683 HB ILE 89 HB ILE 89 4.539 -13.303 -0.768 684 1HG1 ILE 89 1HG1 ILE 89 6.215 -14.699 -1.874 685 2HG1 ILE 89 2HG1 ILE 89 6.078 -15.123 -0.172 686 1HG2 ILE 89 1HG2 ILE 89 3.116 -15.888 -0.143 687 2HG2 ILE 89 2HG2 ILE 89 2.491 -14.265 0.150 688 3HG2 ILE 89 3HG2 ILE 89 3.915 -14.833 1.024 689 1HD1 ILE 89 1HD1 ILE 89 4.913 -16.641 -2.494 690 2HD1 ILE 89 2HD1 ILE 89 4.694 -17.057 -0.794 691 3HD1 ILE 89 3HD1 ILE 89 6.304 -17.109 -1.513 692 H LYS 90 H LYS 90 1.150 -14.024 -1.625 693 HA LYS 90 HA LYS 90 0.469 -16.841 -1.745 694 1HB LYS 90 1HB LYS 90 -1.248 -14.475 -0.973 695 2HB LYS 90 2HB LYS 90 -1.642 -16.168 -0.721 696 1HG LYS 90 1HG LYS 90 0.684 -14.730 0.540 697 2HG LYS 90 2HG LYS 90 -0.865 -15.045 1.324 698 1HD LYS 90 1HD LYS 90 0.967 -17.184 0.239 699 2HD LYS 90 2HD LYS 90 0.920 -16.673 1.928 700 1HE LYS 90 1HE LYS 90 -1.367 -17.866 0.362 701 2HE LYS 90 2HE LYS 90 -0.406 -18.690 1.588 702 1HZ LYS 90 1HZ LYS 90 -1.208 -17.105 3.227 703 2HZ LYS 90 2HZ LYS 90 -2.501 -17.909 2.492 704 3HZ LYS 90 3HZ LYS 90 -2.134 -16.319 2.049 705 H PHE 91 H PHE 91 0.247 -14.100 -3.755 706 HA PHE 91 HA PHE 91 -1.889 -15.317 -5.353 707 1HB PHE 91 1HB PHE 91 -0.970 -12.494 -5.009 708 2HB PHE 91 2HB PHE 91 -1.800 -12.966 -6.496 709 HD1 PHE 91 HD1 PHE 91 -4.072 -14.096 -6.267 710 HD2 PHE 91 HD2 PHE 91 -2.192 -11.967 -3.098 711 HE1 PHE 91 HE1 PHE 91 -6.245 -13.858 -5.142 712 HE2 PHE 91 HE2 PHE 91 -4.361 -11.728 -1.966 713 HZ PHE 91 HZ PHE 91 -6.392 -12.674 -2.988 714 H SER 92 H SER 92 1.162 -15.779 -5.230 715 HA SER 92 HA SER 92 2.921 -16.100 -6.659 716 1HB SER 92 1HB SER 92 0.604 -17.011 -8.373 717 2HB SER 92 2HB SER 92 2.296 -17.400 -8.681 718 HG SER 92 HG SER 92 2.332 -18.442 -6.635 719 H GLU 93 H GLU 93 3.313 -13.777 -6.821 720 HA GLU 93 HA GLU 93 3.283 -12.942 -9.600 721 1HB GLU 93 1HB GLU 93 1.779 -11.544 -7.424 722 2HB GLU 93 2HB GLU 93 2.521 -10.586 -8.703 723 1HG GLU 93 1HG GLU 93 0.523 -12.805 -9.095 724 2HG GLU 93 2HG GLU 93 0.179 -11.078 -9.170 725 H GLU 94 H GLU 94 5.509 -13.121 -9.565 726 HA GLU 94 HA GLU 94 7.052 -11.697 -7.575 727 1HB GLU 94 1HB GLU 94 9.015 -12.596 -8.746 728 2HB GLU 94 2HB GLU 94 7.864 -13.858 -8.333 729 1HG GLU 94 1HG GLU 94 7.969 -12.588 -11.052 730 2HG GLU 94 2HG GLU 94 8.937 -13.993 -10.614 731 H GLN 95 H GLN 95 6.388 -11.427 -11.046 732 HA GLN 95 HA GLN 95 8.112 -9.276 -11.572 733 1HB GLN 95 1HB GLN 95 6.692 -8.879 -13.560 734 2HB GLN 95 2HB GLN 95 7.138 -10.569 -13.375 735 1HG GLN 95 1HG GLN 95 4.938 -11.048 -12.428 736 2HG GLN 95 2HG GLN 95 4.492 -9.352 -12.609 737 1HE2 GLN 95 1HE2 GLN 95 2.779 -9.834 -13.969 738 2HE2 GLN 95 2HE2 GLN 95 3.011 -10.348 -15.603 739 H ARG 96 H ARG 96 4.781 -9.391 -10.447 740 HA ARG 96 HA ARG 96 4.164 -6.671 -10.627 741 1HB ARG 96 1HB ARG 96 2.974 -9.020 -9.571 742 2HB ARG 96 2HB ARG 96 2.943 -7.810 -8.299 743 1HG ARG 96 1HG ARG 96 1.972 -7.211 -11.069 744 2HG ARG 96 2HG ARG 96 0.935 -7.954 -9.850 745 1HD ARG 96 1HD ARG 96 0.529 -5.627 -9.754 746 2HD ARG 96 2HD ARG 96 1.507 -6.029 -8.342 747 HE ARG 96 HE ARG 96 3.430 -5.233 -9.875 748 1HH1 ARG 96 1HH1 ARG 96 0.207 -3.912 -9.800 749 2HH1 ARG 96 2HH1 ARG 96 0.710 -2.323 -10.272 750 1HH2 ARG 96 1HH2 ARG 96 4.099 -3.145 -10.493 751 2HH2 ARG 96 2HH2 ARG 96 2.922 -1.888 -10.666 752 H PHE 97 H PHE 97 6.096 -8.435 -8.363 753 HA PHE 97 HA PHE 97 6.061 -6.463 -6.309 754 1HB PHE 97 1HB PHE 97 6.664 -8.990 -6.161 755 2HB PHE 97 2HB PHE 97 8.266 -8.471 -6.666 756 HD1 PHE 97 HD1 PHE 97 8.782 -6.070 -5.232 757 HD2 PHE 97 HD2 PHE 97 6.698 -9.541 -3.920 758 HE1 PHE 97 HE1 PHE 97 9.338 -5.520 -2.899 759 HE2 PHE 97 HE2 PHE 97 7.250 -8.997 -1.586 760 HZ PHE 97 HZ PHE 97 8.596 -7.067 -1.061 761 H ASN 98 H ASN 98 8.614 -7.443 -8.606 762 HA ASN 98 HA ASN 98 10.266 -5.239 -7.973 763 1HB ASN 98 1HB ASN 98 11.410 -5.804 -10.164 764 2HB ASN 98 2HB ASN 98 11.317 -7.118 -8.996 765 1HD2 ASN 98 1HD2 ASN 98 10.096 -5.859 -12.003 766 2HD2 ASN 98 2HD2 ASN 98 9.378 -7.330 -12.556 767 H ASN 99 H ASN 99 7.448 -5.547 -9.894 768 HA ASN 99 HA ASN 99 7.988 -3.294 -11.581 769 1HB ASN 99 1HB ASN 99 6.420 -5.134 -12.219 770 2HB ASN 99 2HB ASN 99 5.318 -4.581 -10.957 771 1HD2 ASN 99 1HD2 ASN 99 7.244 -2.428 -12.920 772 2HD2 ASN 99 2HD2 ASN 99 5.930 -1.742 -13.803 773 H PHE 100 H PHE 100 5.816 -3.827 -8.796 774 HA PHE 100 HA PHE 100 4.959 -1.146 -8.558 775 1HB PHE 100 1HB PHE 100 3.874 -3.125 -7.517 776 2HB PHE 100 2HB PHE 100 5.233 -3.297 -6.445 777 HD1 PHE 100 HD1 PHE 100 2.298 -3.082 -5.601 778 HD2 PHE 100 HD2 PHE 100 5.376 -0.187 -6.047 779 HE1 PHE 100 HE1 PHE 100 1.169 -1.646 -3.969 780 HE2 PHE 100 HE2 PHE 100 4.253 1.257 -4.406 781 HZ PHE 100 HZ PHE 100 2.037 0.291 -3.249 782 H LEU 101 H LEU 101 7.677 -2.905 -7.186 783 HA LEU 101 HA LEU 101 8.547 -0.803 -5.498 784 1HB LEU 101 1HB LEU 101 9.072 -3.279 -5.338 785 2HB LEU 101 2HB LEU 101 10.207 -3.039 -6.645 786 HG LEU 101 HG LEU 101 11.785 -2.140 -5.291 787 1HD1 LEU 101 1HD1 LEU 101 11.340 -0.711 -3.347 788 2HD1 LEU 101 2HD1 LEU 101 9.606 -0.940 -3.573 789 3HD1 LEU 101 3HD1 LEU 101 10.552 -0.095 -4.799 790 1HD2 LEU 101 1HD2 LEU 101 11.678 -4.057 -4.092 791 2HD2 LEU 101 2HD2 LEU 101 9.975 -3.845 -3.689 792 3HD2 LEU 101 3HD2 LEU 101 11.207 -2.947 -2.805 793 H LYS 102 H LYS 102 9.687 -1.899 -8.707 794 HA LYS 102 HA LYS 102 11.595 0.237 -8.767 795 1HB LYS 102 1HB LYS 102 10.677 -1.626 -10.963 796 2HB LYS 102 2HB LYS 102 11.996 -0.475 -11.119 797 1HG LYS 102 1HG LYS 102 11.863 -2.941 -9.414 798 2HG LYS 102 2HG LYS 102 13.011 -2.547 -10.692 799 1HD LYS 102 1HD LYS 102 12.799 -1.194 -7.999 800 2HD LYS 102 2HD LYS 102 14.047 -2.336 -8.494 801 1HE LYS 102 1HE LYS 102 13.528 0.371 -9.723 802 2HE LYS 102 2HE LYS 102 14.843 -0.028 -8.621 803 1HZ LYS 102 1HZ LYS 102 15.694 -1.589 -10.261 804 2HZ LYS 102 2HZ LYS 102 15.589 -0.034 -10.913 805 3HZ LYS 102 3HZ LYS 102 14.434 -1.199 -11.319 806 H ALA 103 H ALA 103 8.265 -0.046 -9.491 807 HA ALA 103 HA ALA 103 8.256 2.150 -11.380 808 1HB ALA 103 1HB ALA 103 5.783 1.933 -11.268 809 2HB ALA 103 2HB ALA 103 5.982 0.657 -10.063 810 3HB ALA 103 3HB ALA 103 6.596 0.429 -11.702 811 H LEU 104 H LEU 104 7.333 1.566 -8.007 812 HA LEU 104 HA LEU 104 6.363 4.200 -7.580 813 1HB LEU 104 1HB LEU 104 6.417 3.668 -5.224 814 2HB LEU 104 2HB LEU 104 5.832 2.269 -6.095 815 HG LEU 104 HG LEU 104 8.354 1.512 -5.959 816 1HD1 LEU 104 1HD1 LEU 104 8.175 3.110 -3.432 817 2HD1 LEU 104 2HD1 LEU 104 8.962 3.734 -4.878 818 3HD1 LEU 104 3HD1 LEU 104 9.566 2.267 -4.110 819 1HD2 LEU 104 1HD2 LEU 104 6.224 1.349 -3.868 820 2HD2 LEU 104 2HD2 LEU 104 7.791 0.581 -3.615 821 3HD2 LEU 104 3HD2 LEU 104 6.790 0.111 -4.988 822 H GLN 105 H GLN 105 9.491 2.599 -7.156 823 HA GLN 105 HA GLN 105 10.781 4.849 -6.039 824 1HB GLN 105 1HB GLN 105 12.011 3.053 -5.561 825 2HB GLN 105 2HB GLN 105 11.597 2.208 -7.049 826 1HG GLN 105 1HG GLN 105 13.925 2.607 -7.080 827 2HG GLN 105 2HG GLN 105 13.201 3.733 -8.234 828 1HE2 GLN 105 1HE2 GLN 105 13.392 5.896 -7.895 829 2HE2 GLN 105 2HE2 GLN 105 14.297 6.594 -6.601 830 H GLU 106 H GLU 106 10.865 3.518 -9.384 831 HA GLU 106 HA GLU 106 12.445 5.515 -10.485 832 1HB GLU 106 1HB GLU 106 11.568 4.942 -12.620 833 2HB GLU 106 2HB GLU 106 11.573 3.456 -11.682 834 1HG GLU 106 1HG GLU 106 9.215 3.660 -11.271 835 2HG GLU 106 2HG GLU 106 9.172 5.220 -12.093 836 H LYS 107 H LYS 107 9.084 5.494 -9.538 837 HA LYS 107 HA LYS 107 8.343 7.934 -10.752 838 1HB LYS 107 1HB LYS 107 6.863 6.087 -9.692 839 2HB LYS 107 2HB LYS 107 7.164 6.922 -8.174 840 1HG LYS 107 1HG LYS 107 6.296 9.004 -9.286 841 2HG LYS 107 2HG LYS 107 5.778 7.969 -10.616 842 1HD LYS 107 1HD LYS 107 3.923 8.317 -9.131 843 2HD LYS 107 2HD LYS 107 4.455 6.640 -9.001 844 1HE LYS 107 1HE LYS 107 3.957 7.668 -6.812 845 2HE LYS 107 2HE LYS 107 5.627 7.120 -6.953 846 1HZ LYS 107 1HZ LYS 107 5.486 9.305 -5.927 847 2HZ LYS 107 2HZ LYS 107 4.697 9.923 -7.289 848 3HZ LYS 107 3HZ LYS 107 6.298 9.395 -7.408 849 H VAL 108 H VAL 108 9.529 7.141 -7.467 850 HA VAL 108 HA VAL 108 9.467 9.773 -6.468 851 HB VAL 108 HB VAL 108 10.556 9.022 -4.607 852 1HG1 VAL 108 1HG1 VAL 108 9.913 6.354 -5.796 853 2HG1 VAL 108 2HG1 VAL 108 8.730 7.448 -5.080 854 3HG1 VAL 108 3HG1 VAL 108 10.019 6.767 -4.085 855 1HG2 VAL 108 1HG2 VAL 108 12.743 8.757 -5.299 856 2HG2 VAL 108 2HG2 VAL 108 12.325 7.499 -6.463 857 3HG2 VAL 108 3HG2 VAL 108 12.310 7.141 -4.736 858 H GLU 109 H GLU 109 11.569 8.169 -8.660 859 HA GLU 109 HA GLU 109 13.804 9.937 -8.412 860 1HB GLU 109 1HB GLU 109 13.925 7.611 -9.337 861 2HB GLU 109 2HB GLU 109 13.055 8.178 -10.755 862 1HG GLU 109 1HG GLU 109 15.400 8.070 -11.235 863 2HG GLU 109 2HG GLU 109 14.881 9.754 -11.219 864 H ILE 110 H ILE 110 11.241 9.564 -10.854 865 HA ILE 110 HA ILE 110 11.890 11.725 -12.471 866 HB ILE 110 HB ILE 110 9.358 10.260 -11.914 867 1HG1 ILE 110 1HG1 ILE 110 9.502 9.685 -14.261 868 2HG1 ILE 110 2HG1 ILE 110 10.828 10.816 -14.495 869 1HG2 ILE 110 1HG2 ILE 110 9.527 12.806 -13.510 870 2HG2 ILE 110 2HG2 ILE 110 8.510 12.483 -12.105 871 3HG2 ILE 110 3HG2 ILE 110 8.198 11.654 -13.630 872 1HD1 ILE 110 1HD1 ILE 110 10.860 8.254 -12.930 873 2HD1 ILE 110 2HD1 ILE 110 12.180 9.423 -12.930 874 3HD1 ILE 110 3HD1 ILE 110 11.717 8.615 -14.428 875 H LYS 111 H LYS 111 9.701 11.612 -9.682 876 HA LYS 111 HA LYS 111 9.639 14.551 -9.638 877 1HB LYS 111 1HB LYS 111 7.784 12.415 -8.686 878 2HB LYS 111 2HB LYS 111 7.795 13.946 -7.823 879 1HG LYS 111 1HG LYS 111 7.567 14.923 -10.264 880 2HG LYS 111 2HG LYS 111 6.887 13.325 -10.577 881 1HD LYS 111 1HD LYS 111 5.974 15.144 -8.351 882 2HD LYS 111 2HD LYS 111 5.203 15.065 -9.939 883 1HE LYS 111 1HE LYS 111 4.818 12.635 -9.561 884 2HE LYS 111 2HE LYS 111 5.455 12.830 -7.929 885 1HZ LYS 111 1HZ LYS 111 3.060 14.196 -9.034 886 2HZ LYS 111 2HZ LYS 111 3.679 14.415 -7.475 887 3HZ LYS 111 3HZ LYS 111 3.051 12.912 -7.931 888 H GLN 112 H GLN 112 8.852 14.792 -6.943 889 HA GLN 112 HA GLN 112 11.415 14.483 -5.646 890 1HB GLN 112 1HB GLN 112 8.867 15.912 -4.947 891 2HB GLN 112 2HB GLN 112 10.158 15.724 -3.767 892 1HG GLN 112 1HG GLN 112 11.692 16.902 -5.262 893 2HG GLN 112 2HG GLN 112 10.388 17.098 -6.435 894 1HE2 GLN 112 1HE2 GLN 112 11.649 18.088 -3.350 895 2HE2 GLN 112 2HE2 GLN 112 10.642 19.479 -3.156 896 H LEU 113 H LEU 113 9.272 14.458 -3.191 897 HA LEU 113 HA LEU 113 8.474 12.894 -1.752 898 1HB LEU 113 1HB LEU 113 8.511 11.195 -4.233 899 2HB LEU 113 2HB LEU 113 7.830 10.678 -2.704 900 HG LEU 113 HG LEU 113 6.124 11.440 -4.236 901 1HD1 LEU 113 1HD1 LEU 113 4.964 12.958 -2.726 902 2HD1 LEU 113 2HD1 LEU 113 6.484 13.312 -1.910 903 3HD1 LEU 113 3HD1 LEU 113 5.794 11.693 -1.824 904 1HD2 LEU 113 1HD2 LEU 113 7.355 14.171 -4.074 905 2HD2 LEU 113 2HD2 LEU 113 5.908 13.705 -4.970 906 3HD2 LEU 113 3HD2 LEU 113 7.486 13.094 -5.464 907 H ASN 114 H ASN 114 11.445 13.135 -2.483 908 HA ASN 114 HA ASN 114 12.706 10.670 -2.273 909 1HB ASN 114 1HB ASN 114 13.690 13.238 -1.011 910 2HB ASN 114 2HB ASN 114 14.661 11.861 -1.525 911 1HD2 ASN 114 1HD2 ASN 114 12.824 14.621 -2.563 912 2HD2 ASN 114 2HD2 ASN 114 13.414 14.657 -4.186 913 H HIS 115 H HIS 115 11.191 12.653 0.184 914 HA HIS 115 HA HIS 115 12.219 11.471 2.492 915 1HB HIS 115 1HB HIS 115 9.476 12.612 1.929 916 2HB HIS 115 2HB HIS 115 10.013 12.122 3.533 917 HD1 HIS 115 HD1 HIS 115 9.778 14.561 4.384 918 HD2 HIS 115 HD2 HIS 115 12.538 14.084 1.314 919 HE1 HIS 115 HE1 HIS 115 11.104 16.696 4.336 920 HE2 HIS 115 HE2 HIS 115 12.837 16.341 2.541 921 H PHE 116 H PHE 116 9.467 10.535 0.463 922 HA PHE 116 HA PHE 116 8.569 8.345 1.915 923 1HB PHE 116 1HB PHE 116 7.234 8.970 0.079 924 2HB PHE 116 2HB PHE 116 8.601 8.989 -1.025 925 HD1 PHE 116 HD1 PHE 116 7.119 6.464 1.282 926 HD2 PHE 116 HD2 PHE 116 8.410 7.395 -2.663 927 HE1 PHE 116 HE1 PHE 116 6.541 4.187 0.560 928 HE2 PHE 116 HE2 PHE 116 7.831 5.118 -3.392 929 HZ PHE 116 HZ PHE 116 6.910 3.519 -1.817 930 H TRP 117 H TRP 117 11.005 8.523 -0.655 931 HA TRP 117 HA TRP 117 11.865 5.900 -0.664 932 1HB TRP 117 1HB TRP 117 12.914 7.019 -2.348 933 2HB TRP 117 2HB TRP 117 13.009 8.516 -1.434 934 HD1 TRP 117 HD1 TRP 117 15.172 8.839 0.160 935 HE1 TRP 117 HE1 TRP 117 17.524 7.803 0.040 936 HE3 TRP 117 HE3 TRP 117 14.175 4.917 -2.964 937 HZ2 TRP 117 HZ2 TRP 117 18.791 5.619 -1.215 938 HZ3 TRP 117 HZ3 TRP 117 16.014 3.404 -3.578 939 HH2 TRP 117 HH2 TRP 117 18.274 3.749 -2.723 940 H GLU 118 H GLU 118 12.768 8.577 1.455 941 HA GLU 118 HA GLU 118 14.861 7.417 2.855 942 1HB GLU 118 1HB GLU 118 12.758 9.290 3.956 943 2HB GLU 118 2HB GLU 118 14.317 8.961 4.687 944 1HG GLU 118 1HG GLU 118 13.835 10.314 2.047 945 2HG GLU 118 2HG GLU 118 14.346 11.081 3.547 946 H ILE 119 H ILE 119 11.394 7.456 3.828 947 HA ILE 119 HA ILE 119 11.797 5.795 6.052 948 HB ILE 119 HB ILE 119 9.436 5.373 6.126 949 1HG1 ILE 119 1HG1 ILE 119 9.367 6.532 3.340 950 2HG1 ILE 119 2HG1 ILE 119 8.949 4.887 3.811 951 1HG2 ILE 119 1HG2 ILE 119 8.641 7.632 6.289 952 2HG2 ILE 119 2HG2 ILE 119 9.920 8.200 5.214 953 3HG2 ILE 119 3HG2 ILE 119 10.325 7.572 6.811 954 1HD1 ILE 119 1HD1 ILE 119 7.459 7.401 4.518 955 2HD1 ILE 119 2HD1 ILE 119 7.065 5.791 5.116 956 3HD1 ILE 119 3HD1 ILE 119 6.952 6.143 3.391 957 H VAL 120 H VAL 120 11.297 4.939 2.639 958 HA VAL 120 HA VAL 120 10.864 2.186 3.195 959 HB VAL 120 HB VAL 120 10.628 1.895 1.017 960 1HG1 VAL 120 1HG1 VAL 120 11.292 4.814 0.778 961 2HG1 VAL 120 2HG1 VAL 120 9.711 4.130 1.155 962 3HG1 VAL 120 3HG1 VAL 120 10.445 3.843 -0.423 963 1HG2 VAL 120 1HG2 VAL 120 13.306 3.188 0.573 964 2HG2 VAL 120 2HG2 VAL 120 12.349 2.358 -0.657 965 3HG2 VAL 120 3HG2 VAL 120 12.972 1.464 0.731 966 H VAL 121 H VAL 121 13.836 4.100 2.755 967 HA VAL 121 HA VAL 121 15.623 1.873 2.816 968 HB VAL 121 HB VAL 121 17.348 3.330 2.815 969 1HG1 VAL 121 1HG1 VAL 121 15.275 5.424 2.310 970 2HG1 VAL 121 2HG1 VAL 121 15.627 4.131 1.164 971 3HG1 VAL 121 3HG1 VAL 121 16.887 5.281 1.612 972 1HG2 VAL 121 1HG2 VAL 121 17.273 4.032 5.064 973 2HG2 VAL 121 2HG2 VAL 121 15.822 4.992 4.794 974 3HG2 VAL 121 3HG2 VAL 121 17.356 5.500 4.089 975 H GLN 122 H GLN 122 13.997 3.798 5.182 976 HA GLN 122 HA GLN 122 15.395 2.692 7.451 977 1HB GLN 122 1HB GLN 122 14.328 5.035 7.172 978 2HB GLN 122 2HB GLN 122 12.822 4.222 7.573 979 1HG GLN 122 1HG GLN 122 13.587 5.073 9.589 980 2HG GLN 122 2HG GLN 122 14.021 3.364 9.631 981 1HE2 GLN 122 1HE2 GLN 122 15.739 5.709 7.707 982 2HE2 GLN 122 2HE2 GLN 122 17.197 5.693 8.632 983 H ASP 123 H ASP 123 12.754 1.813 5.498 984 HA ASP 123 HA ASP 123 11.683 0.005 7.563 985 1HB ASP 123 1HB ASP 123 10.446 1.191 5.079 986 2HB ASP 123 2HB ASP 123 9.718 -0.168 5.932 987 H GLY 124 H GLY 124 13.696 0.050 4.920 988 1HA GLY 124 1HA GLY 124 14.593 -1.602 3.602 989 2HA GLY 124 2HA GLY 124 13.936 -2.750 4.765 990 H ILE 125 H ILE 125 13.114 -0.787 1.937 991 HA ILE 125 HA ILE 125 11.103 -2.809 1.186 992 HB ILE 125 HB ILE 125 10.701 0.123 0.704 993 1HG1 ILE 125 1HG1 ILE 125 10.927 -0.282 3.155 994 2HG1 ILE 125 2HG1 ILE 125 9.332 0.293 2.681 995 1HG2 ILE 125 1HG2 ILE 125 9.377 -1.355 -0.659 996 2HG2 ILE 125 2HG2 ILE 125 8.344 -0.537 0.514 997 3HG2 ILE 125 3HG2 ILE 125 8.811 -2.218 0.772 998 1HD1 ILE 125 1HD1 ILE 125 9.981 -2.601 3.146 999 2HD1 ILE 125 2HD1 ILE 125 8.391 -1.868 2.949 1000 3HD1 ILE 125 3HD1 ILE 125 9.349 -1.523 4.389 1001 H THR 126 H THR 126 13.316 -3.268 -0.155 1002 HA THR 126 HA THR 126 12.805 -2.058 -2.746 1003 HB THR 126 HB THR 126 15.662 -2.145 -1.995 1004 HG1 THR 126 HG1 THR 126 13.852 -0.086 -1.238 1005 1HG2 THR 126 1HG2 THR 126 13.950 -0.377 -3.729 1006 2HG2 THR 126 2HG2 THR 126 15.152 -1.557 -4.256 1007 3HG2 THR 126 3HG2 THR 126 15.664 -0.089 -3.418 1008 H LEU 127 H LEU 127 13.896 -2.991 -4.523 1009 HA LEU 127 HA LEU 127 14.075 -4.798 -5.862 1010 1HB LEU 127 1HB LEU 127 16.192 -5.738 -5.819 1011 2HB LEU 127 2HB LEU 127 16.379 -4.166 -5.076 1012 HG LEU 127 HG LEU 127 16.086 -5.599 -2.838 1013 1HD1 LEU 127 1HD1 LEU 127 16.458 -7.795 -2.990 1014 2HD1 LEU 127 2HD1 LEU 127 17.735 -7.585 -4.186 1015 3HD1 LEU 127 3HD1 LEU 127 16.052 -7.617 -4.696 1016 1HD2 LEU 127 1HD2 LEU 127 18.671 -5.585 -4.382 1017 2HD2 LEU 127 2HD2 LEU 127 18.456 -5.566 -2.632 1018 3HD2 LEU 127 3HD2 LEU 127 18.000 -4.160 -3.591 1019 H ILE 128 H ILE 128 14.630 -7.258 -5.956 1020 HA ILE 128 HA ILE 128 12.712 -8.586 -4.187 1021 HB ILE 128 HB ILE 128 13.936 -9.636 -6.736 1022 1HG1 ILE 128 1HG1 ILE 128 12.587 -7.664 -7.226 1023 2HG1 ILE 128 2HG1 ILE 128 11.763 -9.111 -7.791 1024 1HG2 ILE 128 1HG2 ILE 128 12.375 -11.397 -6.632 1025 2HG2 ILE 128 2HG2 ILE 128 11.451 -10.605 -5.354 1026 3HG2 ILE 128 3HG2 ILE 128 13.051 -11.260 -5.008 1027 1HD1 ILE 128 1HD1 ILE 128 10.191 -7.606 -6.778 1028 2HD1 ILE 128 2HD1 ILE 128 11.143 -7.555 -5.295 1029 3HD1 ILE 128 3HD1 ILE 128 10.349 -9.053 -5.780 1030 H THR 129 H THR 129 13.539 -9.521 -2.487 1031 HA THR 129 HA THR 129 16.292 -10.053 -2.223 1032 HB THR 129 HB THR 129 15.885 -10.518 -0.029 1033 HG1 THR 129 HG1 THR 129 14.770 -12.341 0.140 1034 1HG2 THR 129 1HG2 THR 129 13.138 -9.427 -0.486 1035 2HG2 THR 129 2HG2 THR 129 14.556 -8.437 -0.839 1036 3HG2 THR 129 3HG2 THR 129 14.299 -9.059 0.792 1037 H LYS 130 H LYS 130 16.654 -11.327 -4.073 1038 HA LYS 130 HA LYS 130 17.301 -13.903 -3.650 1039 1HB LYS 130 1HB LYS 130 15.551 -15.195 -4.913 1040 2HB LYS 130 2HB LYS 130 15.055 -14.628 -3.329 1041 1HG LYS 130 1HG LYS 130 14.178 -12.587 -4.815 1042 2HG LYS 130 2HG LYS 130 14.084 -13.885 -6.009 1043 1HD LYS 130 1HD LYS 130 12.808 -13.858 -3.279 1044 2HD LYS 130 2HD LYS 130 11.975 -13.688 -4.823 1045 1HE LYS 130 1HE LYS 130 13.481 -16.107 -3.839 1046 2HE LYS 130 2HE LYS 130 11.732 -15.949 -3.997 1047 1HZ LYS 130 1HZ LYS 130 13.568 -15.662 -6.298 1048 2HZ LYS 130 2HZ LYS 130 11.893 -15.892 -6.325 1049 3HZ LYS 130 3HZ LYS 130 12.911 -17.148 -5.845 1050 H GLU 131 H GLU 131 15.397 -12.476 -6.315 1051 HA GLU 131 HA GLU 131 17.457 -11.723 -7.963 1052 1HB GLU 131 1HB GLU 131 17.450 -13.712 -9.575 1053 2HB GLU 131 2HB GLU 131 18.325 -13.930 -8.062 1054 1HG GLU 131 1HG GLU 131 16.412 -15.122 -7.122 1055 2HG GLU 131 2HG GLU 131 15.529 -14.900 -8.626 1056 H GLU 132 H GLU 132 14.899 -10.771 -7.531 1057 HA GLU 132 HA GLU 132 13.028 -10.029 -8.608 1058 1HB GLU 132 1HB GLU 132 14.474 -10.940 -11.100 1059 2HB GLU 132 2HB GLU 132 13.117 -9.825 -11.040 1060 1HG GLU 132 1HG GLU 132 14.477 -8.225 -9.803 1061 2HG GLU 132 2HG GLU 132 15.840 -9.348 -9.846 1062 H ALA 133 H ALA 133 12.969 -12.626 -7.558 1063 HA ALA 133 HA ALA 133 11.075 -13.923 -9.396 1064 1HB ALA 133 1HB ALA 133 13.259 -15.221 -7.797 1065 2HB ALA 133 2HB ALA 133 13.069 -15.204 -9.551 1066 3HB ALA 133 3HB ALA 133 11.937 -16.115 -8.550 1067 H SER 134 H SER 134 10.269 -16.009 -7.840 1068 HA SER 134 HA SER 134 9.049 -14.678 -5.509 1069 1HB SER 134 1HB SER 134 7.142 -16.225 -5.808 1070 2HB SER 134 2HB SER 134 7.402 -15.217 -7.232 1071 HG SER 134 HG SER 134 7.056 -17.443 -7.739 1072 H GLY 135 H GLY 135 10.610 -17.588 -6.710 1073 1HA GLY 135 1HA GLY 135 11.124 -18.398 -3.934 1074 2HA GLY 135 2HA GLY 135 10.388 -19.568 -5.018 1075 H SER 136 H SER 136 13.300 -18.188 -3.927 1076 HA SER 136 HA SER 136 14.800 -19.807 -5.866 1077 1HB SER 136 1HB SER 136 15.403 -16.948 -5.089 1078 2HB SER 136 2HB SER 136 16.532 -17.990 -5.953 1079 HG SER 136 HG SER 136 14.677 -16.504 -7.004 1080 H SER 137 H SER 137 17.363 -19.060 -4.910 1081 HA SER 137 HA SER 137 17.297 -20.290 -2.237 1082 1HB SER 137 1HB SER 137 19.461 -20.444 -4.346 1083 2HB SER 137 2HB SER 137 19.542 -21.187 -2.749 1084 HG SER 137 HG SER 137 18.841 -22.662 -4.355 1085 H VAL 138 H VAL 138 18.102 -17.466 -3.922 1086 HA VAL 138 HA VAL 138 20.274 -16.611 -2.261 1087 HB VAL 138 HB VAL 138 18.458 -15.016 -4.074 1088 1HG1 VAL 138 1HG1 VAL 138 20.245 -13.297 -3.960 1089 2HG1 VAL 138 2HG1 VAL 138 21.013 -14.234 -2.679 1090 3HG1 VAL 138 3HG1 VAL 138 19.410 -13.543 -2.426 1091 1HG2 VAL 138 1HG2 VAL 138 19.779 -16.700 -5.245 1092 2HG2 VAL 138 2HG2 VAL 138 21.249 -16.075 -4.498 1093 3HG2 VAL 138 3HG2 VAL 138 20.341 -15.072 -5.631 1094 H THR 139 H THR 139 20.210 -14.946 -0.656 1095 HA THR 139 HA THR 139 17.634 -14.896 0.758 1096 HB THR 139 HB THR 139 19.311 -16.080 2.002 1097 HG1 THR 139 HG1 THR 139 19.458 -14.584 3.873 1098 1HG2 THR 139 1HG2 THR 139 21.292 -15.110 0.946 1099 2HG2 THR 139 2HG2 THR 139 21.405 -15.035 2.707 1100 3HG2 THR 139 3HG2 THR 139 20.998 -13.587 1.787 1101 H ALA 140 H ALA 140 17.730 -13.076 2.503 1102 HA ALA 140 HA ALA 140 17.059 -10.674 1.417 1103 1HB ALA 140 1HB ALA 140 17.085 -9.784 3.614 1104 2HB ALA 140 2HB ALA 140 18.256 -10.985 4.157 1105 3HB ALA 140 3HB ALA 140 16.617 -11.480 3.732 1106 H GLU 141 H GLU 141 20.291 -11.770 1.522 1107 HA GLU 141 HA GLU 141 21.861 -9.698 2.269 1108 1HB GLU 141 1HB GLU 141 22.102 -11.577 -0.041 1109 2HB GLU 141 2HB GLU 141 23.302 -10.311 0.185 1110 1HG GLU 141 1HG GLU 141 23.748 -11.151 2.443 1111 2HG GLU 141 2HG GLU 141 22.569 -12.438 2.183 1112 H GLU 142 H GLU 142 20.521 -9.903 -1.063 1113 HA GLU 142 HA GLU 142 21.397 -7.380 -1.887 1114 1HB GLU 142 1HB GLU 142 18.720 -8.520 -2.735 1115 2HB GLU 142 2HB GLU 142 19.842 -7.538 -3.674 1116 1HG GLU 142 1HG GLU 142 21.415 -9.387 -3.784 1117 2HG GLU 142 2HG GLU 142 20.332 -10.378 -2.807 1118 H ALA 143 H ALA 143 18.489 -8.412 -0.259 1119 HA ALA 143 HA ALA 143 17.297 -5.852 -0.066 1120 1HB ALA 143 1HB ALA 143 15.703 -7.425 0.148 1121 2HB ALA 143 2HB ALA 143 16.031 -7.140 1.858 1122 3HB ALA 143 3HB ALA 143 16.744 -8.533 1.042 1123 H LYS 144 H LYS 144 19.873 -7.301 1.592 1124 HA LYS 144 HA LYS 144 19.433 -5.870 4.046 1125 1HB LYS 144 1HB LYS 144 21.716 -7.523 2.989 1126 2HB LYS 144 2HB LYS 144 21.855 -6.614 4.489 1127 1HG LYS 144 1HG LYS 144 20.068 -7.855 5.486 1128 2HG LYS 144 2HG LYS 144 19.700 -8.650 3.957 1129 1HD LYS 144 1HD LYS 144 20.937 -10.114 5.500 1130 2HD LYS 144 2HD LYS 144 21.834 -9.808 4.016 1131 1HE LYS 144 1HE LYS 144 23.267 -8.260 5.106 1132 2HE LYS 144 2HE LYS 144 22.259 -8.252 6.553 1133 1HZ LYS 144 1HZ LYS 144 24.225 -9.600 6.879 1134 2HZ LYS 144 2HZ LYS 144 23.837 -10.556 5.539 1135 3HZ LYS 144 3HZ LYS 144 22.847 -10.580 6.909 1136 H LYS 145 H LYS 145 21.564 -5.563 1.217 1137 HA LYS 145 HA LYS 145 22.518 -2.991 2.220 1138 1HB LYS 145 1HB LYS 145 23.358 -4.716 -0.094 1139 2HB LYS 145 2HB LYS 145 23.973 -3.084 0.125 1140 1HG LYS 145 1HG LYS 145 25.586 -4.493 1.073 1141 2HG LYS 145 2HG LYS 145 24.700 -3.816 2.438 1142 1HD LYS 145 1HD LYS 145 23.323 -5.887 2.494 1143 2HD LYS 145 2HD LYS 145 24.355 -6.559 1.229 1144 1HE LYS 145 1HE LYS 145 25.222 -5.697 3.986 1145 2HE LYS 145 2HE LYS 145 25.057 -7.356 3.413 1146 1HZ LYS 145 1HZ LYS 145 27.003 -5.328 2.459 1147 2HZ LYS 145 2HZ LYS 145 26.783 -6.840 1.734 1148 3HZ LYS 145 3HZ LYS 145 27.346 -6.739 3.326 1149 H PHE 146 H PHE 146 20.017 -3.986 0.165 1150 HA PHE 146 HA PHE 146 20.009 -2.321 -1.970 1151 1HB PHE 146 1HB PHE 146 17.548 -2.383 -1.926 1152 2HB PHE 146 2HB PHE 146 18.293 -3.947 -1.652 1153 HD1 PHE 146 HD1 PHE 146 15.632 -4.105 -0.996 1154 HD2 PHE 146 HD2 PHE 146 18.704 -2.242 1.259 1155 HE1 PHE 146 HE1 PHE 146 14.306 -4.412 1.043 1156 HE2 PHE 146 HE2 PHE 146 17.383 -2.530 3.302 1157 HZ PHE 146 HZ PHE 146 14.935 -3.662 3.021 1158 H LEU 147 H LEU 147 19.442 -1.250 1.303 1159 HA LEU 147 HA LEU 147 20.124 1.353 0.952 1160 1HB LEU 147 1HB LEU 147 17.755 2.402 1.276 1161 2HB LEU 147 2HB LEU 147 18.441 2.161 -0.304 1162 HG LEU 147 HG LEU 147 17.023 0.249 -0.686 1163 1HD1 LEU 147 1HD1 LEU 147 15.338 0.555 1.654 1164 2HD1 LEU 147 2HD1 LEU 147 16.958 -0.011 2.053 1165 3HD1 LEU 147 3HD1 LEU 147 15.970 -0.902 0.899 1166 1HD2 LEU 147 1HD2 LEU 147 15.387 2.469 0.514 1167 2HD2 LEU 147 2HD2 LEU 147 14.946 1.405 -0.821 1168 3HD2 LEU 147 3HD2 LEU 147 16.223 2.600 -1.032 1169 H ALA 148 H ALA 148 20.833 -0.168 2.798 1170 HA ALA 148 HA ALA 148 19.161 -0.350 5.057 1171 1HB ALA 148 1HB ALA 148 21.200 -1.762 4.543 1172 2HB ALA 148 2HB ALA 148 21.014 -1.219 6.211 1173 3HB ALA 148 3HB ALA 148 22.160 -0.410 5.143 1174 HA PRO 149 HA PRO 149 19.652 3.739 6.705 1175 1HB PRO 149 1HB PRO 149 18.873 2.792 9.317 1176 2HB PRO 149 2HB PRO 149 17.921 3.714 8.155 1177 1HG PRO 149 1HG PRO 149 17.357 1.132 8.812 1178 2HG PRO 149 2HG PRO 149 16.990 1.831 7.225 1179 1HD PRO 149 1HD PRO 149 19.319 0.120 8.044 1180 2HD PRO 149 2HD PRO 149 18.301 0.008 6.590 1181 H LYS 150 H LYS 150 21.665 1.246 7.387 1182 HA LYS 150 HA LYS 150 23.128 2.683 9.488 1183 1HB LYS 150 1HB LYS 150 24.442 0.501 9.617 1184 2HB LYS 150 2HB LYS 150 22.774 0.456 10.170 1185 1HG LYS 150 1HG LYS 150 22.077 -0.568 8.092 1186 2HG LYS 150 2HG LYS 150 23.720 -0.451 7.458 1187 1HD LYS 150 1HD LYS 150 24.505 -1.926 9.259 1188 2HD LYS 150 2HD LYS 150 22.851 -2.060 9.861 1189 1HE LYS 150 1HE LYS 150 22.161 -3.074 7.751 1190 2HE LYS 150 2HE LYS 150 23.802 -2.916 7.126 1191 1HZ LYS 150 1HZ LYS 150 24.566 -4.404 8.873 1192 2HZ LYS 150 2HZ LYS 150 23.377 -5.150 7.931 1193 3HZ LYS 150 3HZ LYS 150 22.989 -4.558 9.467 1194 H ASP 151 H ASP 151 24.505 4.103 8.642 1195 HA ASP 151 HA ASP 151 26.040 3.345 6.251 1196 1HB ASP 151 1HB ASP 151 25.552 6.074 7.469 1197 2HB ASP 151 2HB ASP 151 26.508 5.766 6.022 1198 H LYS 152 H LYS 152 28.159 5.074 6.463 1199 HA LYS 152 HA LYS 152 29.503 4.291 8.957 1200 1HB LYS 152 1HB LYS 152 31.591 3.973 7.526 1201 2HB LYS 152 2HB LYS 152 30.355 2.726 7.422 1202 1HG LYS 152 1HG LYS 152 29.522 3.781 5.347 1203 2HG LYS 152 2HG LYS 152 30.856 4.933 5.437 1204 1HD LYS 152 1HD LYS 152 32.445 3.041 5.361 1205 2HD LYS 152 2HD LYS 152 31.084 1.936 5.175 1206 1HE LYS 152 1HE LYS 152 30.454 3.074 3.096 1207 2HE LYS 152 2HE LYS 152 31.828 4.164 3.282 1208 1HZ LYS 152 1HZ LYS 152 32.346 2.385 1.753 1209 2HZ LYS 152 2HZ LYS 152 31.979 1.219 2.922 1210 3HZ LYS 152 3HZ LYS 152 33.306 2.244 3.141 Start of MODEL 10 1 1H MET 1 1H MET 1 5.946 -37.571 -13.621 2 2H MET 1 2H MET 1 5.138 -36.510 -14.661 3 3H MET 1 3H MET 1 4.497 -38.045 -14.355 4 HA MET 1 HA MET 1 4.122 -37.483 -12.056 5 1HB MET 1 1HB MET 1 5.148 -34.758 -12.873 6 2HB MET 1 2HB MET 1 4.453 -35.161 -11.309 7 1HG MET 1 1HG MET 1 6.285 -36.726 -10.902 8 2HG MET 1 2HG MET 1 6.982 -36.312 -12.467 9 1HE MET 1 1HE MET 1 8.590 -36.178 -9.713 10 2HE MET 1 2HE MET 1 9.452 -34.651 -9.898 11 3HE MET 1 3HE MET 1 9.309 -35.753 -11.267 12 H HIS 2 H HIS 2 3.676 -35.274 -14.799 13 HA HIS 2 HA HIS 2 0.980 -34.630 -14.016 14 1HB HIS 2 1HB HIS 2 0.921 -33.349 -16.134 15 2HB HIS 2 2HB HIS 2 2.313 -32.938 -15.139 16 HD1 HIS 2 HD1 HIS 2 1.361 -34.348 -18.428 17 HD2 HIS 2 HD2 HIS 2 4.810 -33.839 -16.167 18 HE1 HIS 2 HE1 HIS 2 3.270 -34.733 -20.020 19 HE2 HIS 2 HE2 HIS 2 5.348 -34.484 -18.615 20 H HIS 3 H HIS 3 -0.893 -35.429 -14.812 21 HA HIS 3 HA HIS 3 -0.766 -37.402 -16.981 22 1HB HIS 3 1HB HIS 3 -2.179 -37.788 -14.334 23 2HB HIS 3 2HB HIS 3 -2.352 -38.851 -15.726 24 HD1 HIS 3 HD1 HIS 3 -0.065 -38.018 -12.922 25 HD2 HIS 3 HD2 HIS 3 -0.097 -40.476 -16.273 26 HE1 HIS 3 HE1 HIS 3 1.854 -39.612 -12.604 27 HE2 HIS 3 HE2 HIS 3 1.859 -41.042 -14.678 28 H HIS 4 H HIS 4 -2.226 -34.730 -15.552 29 HA HIS 4 HA HIS 4 -4.820 -35.094 -16.800 30 1HB HIS 4 1HB HIS 4 -4.405 -33.961 -14.536 31 2HB HIS 4 2HB HIS 4 -3.816 -32.584 -15.463 32 HD1 HIS 4 HD1 HIS 4 -5.557 -30.867 -15.758 33 HD2 HIS 4 HD2 HIS 4 -7.184 -34.686 -15.604 34 HE1 HIS 4 HE1 HIS 4 -8.041 -30.548 -15.981 35 HE2 HIS 4 HE2 HIS 4 -9.012 -32.864 -15.785 36 H HIS 5 H HIS 5 -5.668 -33.058 -18.017 37 HA HIS 5 HA HIS 5 -5.624 -31.792 -19.902 38 1HB HIS 5 1HB HIS 5 -2.704 -31.422 -19.197 39 2HB HIS 5 2HB HIS 5 -3.603 -30.457 -20.361 40 HD1 HIS 5 HD1 HIS 5 -2.554 -30.427 -16.945 41 HD2 HIS 5 HD2 HIS 5 -5.916 -29.100 -18.996 42 HE1 HIS 5 HE1 HIS 5 -3.643 -28.740 -15.431 43 HE2 HIS 5 HE2 HIS 5 -5.649 -27.916 -16.711 44 H HIS 6 H HIS 6 -4.038 -31.459 -22.007 45 HA HIS 6 HA HIS 6 -3.372 -34.192 -22.889 46 1HB HIS 6 1HB HIS 6 -4.628 -31.959 -24.499 47 2HB HIS 6 2HB HIS 6 -4.120 -33.512 -25.155 48 HD1 HIS 6 HD1 HIS 6 -5.725 -35.437 -24.941 49 HD2 HIS 6 HD2 HIS 6 -6.876 -32.126 -22.708 50 HE1 HIS 6 HE1 HIS 6 -8.048 -35.951 -24.123 51 HE2 HIS 6 HE2 HIS 6 -8.690 -33.969 -22.707 52 H HIS 7 H HIS 7 -1.719 -34.374 -24.511 53 HA HIS 7 HA HIS 7 0.306 -32.278 -24.236 54 1HB HIS 7 1HB HIS 7 1.900 -33.965 -25.023 55 2HB HIS 7 2HB HIS 7 0.981 -34.564 -23.649 56 HD1 HIS 7 HD1 HIS 7 2.036 -35.499 -26.956 57 HD2 HIS 7 HD2 HIS 7 -1.247 -36.328 -24.548 58 HE1 HIS 7 HE1 HIS 7 0.998 -37.570 -27.929 59 HE2 HIS 7 HE2 HIS 7 -1.053 -37.987 -26.524 60 H LYS 8 H LYS 8 1.837 -32.346 -26.330 61 HA LYS 8 HA LYS 8 2.125 -31.685 -28.482 62 1HB LYS 8 1HB LYS 8 1.132 -33.838 -29.069 63 2HB LYS 8 2HB LYS 8 -0.480 -33.153 -28.929 64 1HG LYS 8 1HG LYS 8 0.122 -33.327 -31.247 65 2HG LYS 8 2HG LYS 8 0.037 -31.626 -30.792 66 1HD LYS 8 1HD LYS 8 2.494 -31.608 -30.529 67 2HD LYS 8 2HD LYS 8 2.542 -33.286 -31.075 68 1HE LYS 8 1HE LYS 8 1.553 -30.916 -32.658 69 2HE LYS 8 2HE LYS 8 3.076 -31.771 -32.904 70 1HZ LYS 8 1HZ LYS 8 0.349 -32.895 -33.267 71 2HZ LYS 8 2HZ LYS 8 1.785 -33.774 -33.427 72 3HZ LYS 8 3HZ LYS 8 1.447 -32.507 -34.494 73 H LEU 9 H LEU 9 1.954 -29.676 -29.179 74 HA LEU 9 HA LEU 9 1.174 -27.586 -29.595 75 1HB LEU 9 1HB LEU 9 -1.465 -29.032 -29.847 76 2HB LEU 9 2HB LEU 9 -1.184 -27.370 -30.330 77 HG LEU 9 HG LEU 9 0.295 -29.713 -31.521 78 1HD1 LEU 9 1HD1 LEU 9 -1.192 -29.469 -33.446 79 2HD1 LEU 9 2HD1 LEU 9 -2.127 -28.256 -32.574 80 3HD1 LEU 9 3HD1 LEU 9 -2.087 -29.921 -31.997 81 1HD2 LEU 9 1HD2 LEU 9 1.484 -27.637 -31.747 82 2HD2 LEU 9 2HD2 LEU 9 0.027 -26.815 -32.303 83 3HD2 LEU 9 3HD2 LEU 9 0.775 -28.057 -33.307 84 H LYS 10 H LYS 10 -1.851 -28.610 -28.112 85 HA LYS 10 HA LYS 10 -3.068 -27.639 -26.443 86 1HB LYS 10 1HB LYS 10 -2.113 -27.968 -24.236 87 2HB LYS 10 2HB LYS 10 -1.738 -29.338 -25.270 88 1HG LYS 10 1HG LYS 10 0.519 -28.535 -25.579 89 2HG LYS 10 2HG LYS 10 0.156 -27.083 -24.643 90 1HD LYS 10 1HD LYS 10 -0.216 -28.405 -22.657 91 2HD LYS 10 2HD LYS 10 -0.008 -29.899 -23.574 92 1HE LYS 10 1HE LYS 10 2.307 -29.313 -24.037 93 2HE LYS 10 2HE LYS 10 2.108 -27.785 -23.180 94 1HZ LYS 10 1HZ LYS 10 3.193 -29.505 -21.830 95 2HZ LYS 10 2HZ LYS 10 1.806 -30.469 -21.943 96 3HZ LYS 10 3HZ LYS 10 1.738 -28.981 -21.142 97 H THR 11 H THR 11 -2.186 -26.165 -24.165 98 HA THR 11 HA THR 11 -2.150 -23.542 -25.325 99 HB THR 11 HB THR 11 -2.200 -22.715 -23.017 100 HG1 THR 11 HG1 THR 11 -2.212 -24.277 -21.309 101 1HG2 THR 11 1HG2 THR 11 -4.063 -25.036 -23.532 102 2HG2 THR 11 2HG2 THR 11 -4.315 -23.356 -24.008 103 3HG2 THR 11 3HG2 THR 11 -4.311 -23.799 -22.300 104 H GLU 12 H GLU 12 -0.493 -22.152 -25.538 105 HA GLU 12 HA GLU 12 2.186 -23.154 -25.065 106 1HB GLU 12 1HB GLU 12 1.302 -20.525 -26.271 107 2HB GLU 12 2HB GLU 12 2.925 -21.199 -26.318 108 1HG GLU 12 1HG GLU 12 0.490 -22.406 -27.610 109 2HG GLU 12 2HG GLU 12 1.748 -21.488 -28.435 110 H GLN 13 H GLN 13 3.697 -21.016 -24.495 111 HA GLN 13 HA GLN 13 3.121 -20.578 -21.710 112 1HB GLN 13 1HB GLN 13 5.383 -19.625 -23.472 113 2HB GLN 13 2HB GLN 13 5.282 -19.309 -21.745 114 1HG GLN 13 1HG GLN 13 6.731 -21.145 -22.015 115 2HG GLN 13 2HG GLN 13 5.212 -21.790 -21.396 116 1HE2 GLN 13 1HE2 GLN 13 5.693 -20.773 -24.705 117 2HE2 GLN 13 2HE2 GLN 13 5.598 -22.348 -25.407 118 H GLY 14 H GLY 14 3.738 -18.380 -24.459 119 1HA GLY 14 1HA GLY 14 1.677 -16.699 -24.407 120 2HA GLY 14 2HA GLY 14 2.538 -16.184 -22.964 121 H GLY 15 H GLY 15 2.648 -14.115 -24.111 122 1HA GLY 15 1HA GLY 15 5.116 -13.412 -24.990 123 2HA GLY 15 2HA GLY 15 4.310 -13.935 -26.462 124 H ALA 16 H ALA 16 2.432 -12.785 -27.172 125 HA ALA 16 HA ALA 16 2.658 -9.968 -26.800 126 1HB ALA 16 1HB ALA 16 0.528 -11.563 -28.221 127 2HB ALA 16 2HB ALA 16 2.003 -10.924 -28.945 128 3HB ALA 16 3HB ALA 16 0.765 -9.821 -28.346 129 H HIS 17 H HIS 17 1.565 -8.632 -25.488 130 HA HIS 17 HA HIS 17 -0.051 -9.726 -23.402 131 1HB HIS 17 1HB HIS 17 -0.220 -7.410 -22.604 132 2HB HIS 17 2HB HIS 17 1.445 -7.830 -22.989 133 HD1 HIS 17 HD1 HIS 17 -1.318 -5.556 -23.962 134 HD2 HIS 17 HD2 HIS 17 2.505 -6.519 -25.270 135 HE1 HIS 17 HE1 HIS 17 -0.686 -3.742 -25.586 136 HE2 HIS 17 HE2 HIS 17 1.665 -4.300 -26.299 137 H PHE 18 H PHE 18 -2.163 -8.554 -22.820 138 HA PHE 18 HA PHE 18 -3.841 -8.433 -25.237 139 1HB PHE 18 1HB PHE 18 -4.256 -10.319 -23.607 140 2HB PHE 18 2HB PHE 18 -4.752 -9.103 -22.437 141 HD1 PHE 18 HD1 PHE 18 -5.555 -10.574 -25.729 142 HD2 PHE 18 HD2 PHE 18 -6.913 -8.178 -22.485 143 HE1 PHE 18 HE1 PHE 18 -7.839 -10.639 -26.644 144 HE2 PHE 18 HE2 PHE 18 -9.201 -8.239 -23.394 145 HZ PHE 18 HZ PHE 18 -9.664 -9.471 -25.475 146 H SER 19 H SER 19 -5.765 -7.012 -25.068 147 HA SER 19 HA SER 19 -4.982 -4.421 -24.113 148 1HB SER 19 1HB SER 19 -7.128 -3.669 -25.091 149 2HB SER 19 2HB SER 19 -6.185 -4.632 -26.228 150 HG SER 19 HG SER 19 -8.477 -5.167 -26.057 151 H VAL 20 H VAL 20 -5.142 -3.900 -22.043 152 HA VAL 20 HA VAL 20 -7.330 -5.012 -20.434 153 HB VAL 20 HB VAL 20 -4.878 -3.525 -19.481 154 1HG1 VAL 20 1HG1 VAL 20 -6.681 -3.422 -17.886 155 2HG1 VAL 20 2HG1 VAL 20 -5.455 -4.547 -17.302 156 3HG1 VAL 20 3HG1 VAL 20 -6.945 -5.162 -18.018 157 1HG2 VAL 20 1HG2 VAL 20 -5.375 -6.499 -19.582 158 2HG2 VAL 20 2HG2 VAL 20 -3.968 -5.704 -18.876 159 3HG2 VAL 20 3HG2 VAL 20 -4.259 -5.604 -20.614 160 H SER 21 H SER 21 -8.634 -3.679 -19.130 161 HA SER 21 HA SER 21 -9.474 -1.268 -20.292 162 1HB SER 21 1HB SER 21 -9.964 -2.294 -17.485 163 2HB SER 21 2HB SER 21 -10.869 -1.002 -18.273 164 HG SER 21 HG SER 21 -12.004 -2.457 -19.264 165 H SER 22 H SER 22 -9.658 0.820 -19.002 166 HA SER 22 HA SER 22 -7.453 1.409 -17.229 167 1HB SER 22 1HB SER 22 -6.545 3.223 -18.652 168 2HB SER 22 2HB SER 22 -6.358 1.639 -19.404 169 HG SER 22 HG SER 22 -8.543 3.350 -19.956 170 H LEU 23 H LEU 23 -10.526 1.914 -18.423 171 HA LEU 23 HA LEU 23 -10.969 4.628 -17.765 172 1HB LEU 23 1HB LEU 23 -12.395 2.912 -19.139 173 2HB LEU 23 2HB LEU 23 -13.131 2.566 -17.587 174 HG LEU 23 HG LEU 23 -14.471 4.155 -18.847 175 1HD1 LEU 23 1HD1 LEU 23 -14.683 5.910 -17.189 176 2HD1 LEU 23 2HD1 LEU 23 -13.100 5.502 -16.527 177 3HD1 LEU 23 3HD1 LEU 23 -14.431 4.350 -16.405 178 1HD2 LEU 23 1HD2 LEU 23 -12.584 5.081 -20.161 179 2HD2 LEU 23 2HD2 LEU 23 -12.098 6.004 -18.740 180 3HD2 LEU 23 3HD2 LEU 23 -13.660 6.310 -19.499 181 H ALA 24 H ALA 24 -11.934 1.667 -16.010 182 HA ALA 24 HA ALA 24 -12.461 3.189 -13.613 183 1HB ALA 24 1HB ALA 24 -13.882 1.283 -14.239 184 2HB ALA 24 2HB ALA 24 -13.156 1.079 -12.645 185 3HB ALA 24 3HB ALA 24 -12.502 0.203 -14.029 186 H GLU 25 H GLU 25 -10.390 4.045 -13.156 187 HA GLU 25 HA GLU 25 -8.861 2.511 -11.348 188 1HB GLU 25 1HB GLU 25 -8.062 1.517 -13.505 189 2HB GLU 25 2HB GLU 25 -7.459 3.105 -13.960 190 1HG GLU 25 1HG GLU 25 -5.963 3.090 -12.028 191 2HG GLU 25 2HG GLU 25 -6.565 1.497 -11.577 192 H GLY 26 H GLY 26 -8.920 5.254 -13.571 193 1HA GLY 26 1HA GLY 26 -7.696 6.891 -11.436 194 2HA GLY 26 2HA GLY 26 -7.328 7.134 -13.136 195 H SER 27 H SER 27 -10.347 6.446 -13.522 196 HA SER 27 HA SER 27 -11.204 9.219 -13.423 197 1HB SER 27 1HB SER 27 -11.616 7.956 -15.475 198 2HB SER 27 2HB SER 27 -12.551 6.762 -14.574 199 HG SER 27 HG SER 27 -13.219 9.376 -15.305 200 H VAL 28 H VAL 28 -11.365 6.558 -11.419 201 HA VAL 28 HA VAL 28 -14.003 6.843 -10.385 202 HB VAL 28 HB VAL 28 -13.046 5.540 -8.409 203 1HG1 VAL 28 1HG1 VAL 28 -12.929 3.455 -9.705 204 2HG1 VAL 28 2HG1 VAL 28 -12.805 4.396 -11.192 205 3HG1 VAL 28 3HG1 VAL 28 -14.272 4.476 -10.217 206 1HG2 VAL 28 1HG2 VAL 28 -10.880 4.469 -8.762 207 2HG2 VAL 28 2HG2 VAL 28 -10.711 6.224 -8.689 208 3HG2 VAL 28 3HG2 VAL 28 -10.656 5.394 -10.246 209 H THR 29 H THR 29 -10.818 7.988 -9.302 210 HA THR 29 HA THR 29 -10.196 9.482 -7.687 211 HB THR 29 HB THR 29 -11.814 11.567 -7.689 212 HG1 THR 29 HG1 THR 29 -12.915 11.655 -9.741 213 1HG2 THR 29 1HG2 THR 29 -10.647 12.421 -9.657 214 2HG2 THR 29 2HG2 THR 29 -10.179 10.781 -10.105 215 3HG2 THR 29 3HG2 THR 29 -9.543 11.507 -8.630 216 H SER 30 H SER 30 -11.887 7.363 -6.693 217 HA SER 30 HA SER 30 -13.048 8.781 -4.397 218 1HB SER 30 1HB SER 30 -14.912 8.099 -5.711 219 2HB SER 30 2HB SER 30 -14.258 6.474 -5.911 220 HG SER 30 HG SER 30 -14.805 5.985 -3.879 221 H VAL 31 H VAL 31 -12.335 8.112 -2.488 222 HA VAL 31 HA VAL 31 -11.336 5.381 -2.173 223 HB VAL 31 HB VAL 31 -9.402 6.836 -2.783 224 1HG1 VAL 31 1HG1 VAL 31 -9.952 8.165 -0.133 225 2HG1 VAL 31 2HG1 VAL 31 -10.160 8.901 -1.720 226 3HG1 VAL 31 3HG1 VAL 31 -8.550 8.443 -1.166 227 1HG2 VAL 31 1HG2 VAL 31 -9.209 5.805 0.039 228 2HG2 VAL 31 2HG2 VAL 31 -7.921 5.921 -1.162 229 3HG2 VAL 31 3HG2 VAL 31 -9.235 4.766 -1.386 230 H GLY 32 H GLY 32 -13.728 6.609 -1.238 231 1HA GLY 32 1HA GLY 32 -13.527 7.547 1.416 232 2HA GLY 32 2HA GLY 32 -14.971 6.878 0.675 233 H SER 33 H SER 33 -12.760 4.525 0.280 234 HA SER 33 HA SER 33 -13.735 3.074 2.610 235 1HB SER 33 1HB SER 33 -13.866 1.957 0.438 236 2HB SER 33 2HB SER 33 -12.125 2.135 0.224 237 HG SER 33 HG SER 33 -13.027 0.054 1.099 238 H VAL 34 H VAL 34 -12.383 2.022 4.101 239 HA VAL 34 HA VAL 34 -9.962 3.454 4.704 240 HB VAL 34 HB VAL 34 -11.566 2.648 6.454 241 1HG1 VAL 34 1HG1 VAL 34 -11.484 0.324 7.157 242 2HG1 VAL 34 2HG1 VAL 34 -10.370 -0.052 5.842 243 3HG1 VAL 34 3HG1 VAL 34 -12.024 0.443 5.482 244 1HG2 VAL 34 1HG2 VAL 34 -8.720 1.682 6.708 245 2HG2 VAL 34 2HG2 VAL 34 -9.833 1.965 8.046 246 3HG2 VAL 34 3HG2 VAL 34 -9.299 3.313 7.042 247 H ASN 35 H ASN 35 -7.881 2.486 5.004 248 HA ASN 35 HA ASN 35 -6.074 1.297 4.294 249 1HB ASN 35 1HB ASN 35 -7.590 -0.481 5.473 250 2HB ASN 35 2HB ASN 35 -7.793 -1.111 3.844 251 1HD2 ASN 35 1HD2 ASN 35 -6.483 -2.305 6.161 252 2HD2 ASN 35 2HD2 ASN 35 -4.860 -2.637 5.671 253 HA PRO 36 HA PRO 36 -6.992 1.919 -0.115 254 1HB PRO 36 1HB PRO 36 -4.312 2.266 -0.761 255 2HB PRO 36 2HB PRO 36 -5.438 3.564 -0.332 256 1HG PRO 36 1HG PRO 36 -3.404 2.181 1.347 257 2HG PRO 36 2HG PRO 36 -3.896 3.884 1.346 258 1HD PRO 36 1HD PRO 36 -4.701 2.148 3.232 259 2HD PRO 36 2HD PRO 36 -5.728 3.486 2.678 260 H ALA 37 H ALA 37 -4.766 -0.149 1.514 261 HA ALA 37 HA ALA 37 -4.089 -1.735 -0.766 262 1HB ALA 37 1HB ALA 37 -3.020 -3.204 0.890 263 2HB ALA 37 2HB ALA 37 -3.704 -2.215 2.180 264 3HB ALA 37 3HB ALA 37 -2.534 -1.517 1.057 265 H GLU 38 H GLU 38 -6.531 -1.898 1.768 266 HA GLU 38 HA GLU 38 -7.242 -4.599 1.323 267 1HB GLU 38 1HB GLU 38 -8.935 -4.284 2.834 268 2HB GLU 38 2HB GLU 38 -7.884 -2.947 3.270 269 1HG GLU 38 1HG GLU 38 -9.266 -1.408 2.018 270 2HG GLU 38 2HG GLU 38 -10.285 -2.736 1.469 271 H ASN 39 H ASN 39 -8.108 -1.609 -0.265 272 HA ASN 39 HA ASN 39 -10.352 -2.584 -1.695 273 1HB ASN 39 1HB ASN 39 -8.403 -0.367 -2.384 274 2HB ASN 39 2HB ASN 39 -9.915 -0.668 -3.235 275 1HD2 ASN 39 1HD2 ASN 39 -10.750 1.333 -2.720 276 2HD2 ASN 39 2HD2 ASN 39 -11.273 1.741 -1.125 277 H PHE 40 H PHE 40 -6.977 -2.064 -2.748 278 HA PHE 40 HA PHE 40 -7.166 -3.352 -5.204 279 1HB PHE 40 1HB PHE 40 -5.024 -2.669 -5.263 280 2HB PHE 40 2HB PHE 40 -5.071 -2.329 -3.541 281 HD1 PHE 40 HD1 PHE 40 -4.199 -4.838 -6.087 282 HD2 PHE 40 HD2 PHE 40 -4.052 -3.795 -1.966 283 HE1 PHE 40 HE1 PHE 40 -2.580 -6.648 -5.687 284 HE2 PHE 40 HE2 PHE 40 -2.438 -5.604 -1.559 285 HZ PHE 40 HZ PHE 40 -1.700 -7.033 -3.420 286 H ARG 41 H ARG 41 -6.605 -4.576 -1.969 287 HA ARG 41 HA ARG 41 -6.093 -7.255 -2.598 288 1HB ARG 41 1HB ARG 41 -7.171 -5.867 -0.174 289 2HB ARG 41 2HB ARG 41 -7.098 -7.625 -0.244 290 1HG ARG 41 1HG ARG 41 -4.749 -7.618 -0.369 291 2HG ARG 41 2HG ARG 41 -4.698 -5.886 -0.719 292 1HD ARG 41 1HD ARG 41 -5.514 -5.372 1.488 293 2HD ARG 41 2HD ARG 41 -5.730 -7.088 1.841 294 HE ARG 41 HE ARG 41 -3.047 -6.668 1.183 295 1HH1 ARG 41 1HH1 ARG 41 -5.322 -5.795 3.674 296 2HH1 ARG 41 2HH1 ARG 41 -4.118 -5.682 4.916 297 1HH2 ARG 41 1HH2 ARG 41 -1.453 -6.521 2.817 298 2HH2 ARG 41 2HH2 ARG 41 -1.921 -6.094 4.428 299 H VAL 42 H VAL 42 -9.065 -5.431 -2.185 300 HA VAL 42 HA VAL 42 -10.852 -7.600 -2.138 301 HB VAL 42 HB VAL 42 -11.158 -4.699 -2.840 302 1HG1 VAL 42 1HG1 VAL 42 -13.591 -5.093 -3.183 303 2HG1 VAL 42 2HG1 VAL 42 -13.263 -6.824 -3.239 304 3HG1 VAL 42 3HG1 VAL 42 -12.583 -5.757 -4.469 305 1HG2 VAL 42 1HG2 VAL 42 -11.119 -5.465 -0.488 306 2HG2 VAL 42 2HG2 VAL 42 -12.542 -6.454 -0.817 307 3HG2 VAL 42 3HG2 VAL 42 -12.642 -4.697 -0.938 308 H LEU 43 H LEU 43 -9.744 -5.556 -4.847 309 HA LEU 43 HA LEU 43 -11.139 -6.942 -6.841 310 1HB LEU 43 1HB LEU 43 -8.521 -5.465 -7.051 311 2HB LEU 43 2HB LEU 43 -9.482 -5.994 -8.421 312 HG LEU 43 HG LEU 43 -11.312 -4.550 -7.000 313 1HD1 LEU 43 1HD1 LEU 43 -8.987 -2.740 -6.927 314 2HD1 LEU 43 2HD1 LEU 43 -9.091 -3.958 -5.656 315 3HD1 LEU 43 3HD1 LEU 43 -10.413 -2.810 -5.887 316 1HD2 LEU 43 1HD2 LEU 43 -11.070 -2.887 -8.713 317 2HD2 LEU 43 2HD2 LEU 43 -10.798 -4.476 -9.434 318 3HD2 LEU 43 3HD2 LEU 43 -9.429 -3.424 -9.067 319 H VAL 44 H VAL 44 -7.854 -7.512 -5.556 320 HA VAL 44 HA VAL 44 -7.243 -9.581 -7.381 321 HB VAL 44 HB VAL 44 -5.380 -10.163 -6.021 322 1HG1 VAL 44 1HG1 VAL 44 -5.648 -7.218 -5.550 323 2HG1 VAL 44 2HG1 VAL 44 -5.433 -7.888 -7.165 324 3HG1 VAL 44 3HG1 VAL 44 -4.204 -8.154 -5.928 325 1HG2 VAL 44 1HG2 VAL 44 -6.521 -8.504 -3.788 326 2HG2 VAL 44 2HG2 VAL 44 -5.049 -9.477 -3.757 327 3HG2 VAL 44 3HG2 VAL 44 -6.624 -10.260 -3.875 328 H LYS 45 H LYS 45 -8.950 -9.546 -4.324 329 HA LYS 45 HA LYS 45 -9.045 -12.458 -4.247 330 1HB LYS 45 1HB LYS 45 -9.890 -12.277 -2.060 331 2HB LYS 45 2HB LYS 45 -8.701 -10.988 -2.183 332 1HG LYS 45 1HG LYS 45 -10.407 -9.338 -2.412 333 2HG LYS 45 2HG LYS 45 -11.659 -10.572 -2.562 334 1HD LYS 45 1HD LYS 45 -11.758 -9.726 -0.335 335 2HD LYS 45 2HD LYS 45 -11.049 -11.338 -0.253 336 1HE LYS 45 1HE LYS 45 -9.706 -10.056 1.163 337 2HE LYS 45 2HE LYS 45 -8.786 -10.143 -0.340 338 1HZ LYS 45 1HZ LYS 45 -9.656 -7.950 -0.927 339 2HZ LYS 45 2HZ LYS 45 -8.778 -7.906 0.516 340 3HZ LYS 45 3HZ LYS 45 -10.468 -7.865 0.553 341 H GLN 46 H GLN 46 -10.782 -9.973 -5.649 342 HA GLN 46 HA GLN 46 -13.246 -11.587 -5.705 343 1HB GLN 46 1HB GLN 46 -12.909 -8.603 -6.044 344 2HB GLN 46 2HB GLN 46 -14.425 -9.465 -6.270 345 1HG GLN 46 1HG GLN 46 -12.846 -9.292 -3.719 346 2HG GLN 46 2HG GLN 46 -14.314 -8.392 -4.089 347 1HE2 GLN 46 1HE2 GLN 46 -15.519 -10.688 -5.465 348 2HE2 GLN 46 2HE2 GLN 46 -16.026 -11.770 -4.219 349 H LYS 47 H LYS 47 -14.547 -10.521 -7.813 350 HA LYS 47 HA LYS 47 -12.974 -11.473 -10.069 351 1HB LYS 47 1HB LYS 47 -15.057 -11.486 -11.285 352 2HB LYS 47 2HB LYS 47 -15.334 -12.209 -9.705 353 1HG LYS 47 1HG LYS 47 -16.334 -10.157 -8.903 354 2HG LYS 47 2HG LYS 47 -15.982 -9.358 -10.437 355 1HD LYS 47 1HD LYS 47 -17.447 -10.947 -11.594 356 2HD LYS 47 2HD LYS 47 -17.798 -11.742 -10.059 357 1HE LYS 47 1HE LYS 47 -19.589 -10.208 -10.692 358 2HE LYS 47 2HE LYS 47 -18.793 -9.684 -9.209 359 1HZ LYS 47 1HZ LYS 47 -19.192 -7.834 -10.714 360 2HZ LYS 47 2HZ LYS 47 -18.277 -8.587 -11.921 361 3HZ LYS 47 3HZ LYS 47 -17.532 -8.077 -10.492 362 H LYS 48 H LYS 48 -13.518 -8.588 -8.554 363 HA LYS 48 HA LYS 48 -14.069 -6.675 -10.417 364 1HB LYS 48 1HB LYS 48 -12.776 -6.786 -7.852 365 2HB LYS 48 2HB LYS 48 -11.962 -5.625 -8.885 366 1HG LYS 48 1HG LYS 48 -13.578 -4.385 -7.755 367 2HG LYS 48 2HG LYS 48 -14.271 -4.664 -9.353 368 1HD LYS 48 1HD LYS 48 -16.011 -5.071 -7.805 369 2HD LYS 48 2HD LYS 48 -15.457 -6.661 -8.341 370 1HE LYS 48 1HE LYS 48 -14.182 -6.958 -6.328 371 2HE LYS 48 2HE LYS 48 -14.515 -5.302 -5.819 372 1HZ LYS 48 1HZ LYS 48 -16.860 -5.872 -5.641 373 2HZ LYS 48 2HZ LYS 48 -15.924 -6.882 -4.658 374 3HZ LYS 48 3HZ LYS 48 -16.535 -7.460 -6.125 375 H ALA 49 H ALA 49 -10.681 -7.010 -9.438 376 HA ALA 49 HA ALA 49 -9.895 -6.956 -12.276 377 1HB ALA 49 1HB ALA 49 -8.565 -5.328 -10.126 378 2HB ALA 49 2HB ALA 49 -9.764 -4.692 -11.254 379 3HB ALA 49 3HB ALA 49 -8.226 -5.306 -11.856 380 H SER 50 H SER 50 -7.523 -7.441 -12.540 381 HA SER 50 HA SER 50 -6.874 -9.816 -11.026 382 1HB SER 50 1HB SER 50 -4.867 -9.852 -12.602 383 2HB SER 50 2HB SER 50 -6.454 -9.973 -13.372 384 HG SER 50 HG SER 50 -6.278 -7.918 -14.080 385 H PHE 51 H PHE 51 -4.500 -10.053 -10.304 386 HA PHE 51 HA PHE 51 -3.997 -8.183 -8.280 387 1HB PHE 51 1HB PHE 51 -3.151 -10.641 -8.600 388 2HB PHE 51 2HB PHE 51 -1.785 -9.865 -9.397 389 HD1 PHE 51 HD1 PHE 51 -0.349 -8.310 -8.130 390 HD2 PHE 51 HD2 PHE 51 -3.402 -10.588 -6.240 391 HE1 PHE 51 HE1 PHE 51 0.703 -7.902 -5.948 392 HE2 PHE 51 HE2 PHE 51 -2.352 -10.182 -4.053 393 HZ PHE 51 HZ PHE 51 -0.353 -8.823 -3.881 394 H GLU 52 H GLU 52 -3.386 -7.980 -11.605 395 HA GLU 52 HA GLU 52 -1.135 -6.181 -11.330 396 1HB GLU 52 1HB GLU 52 -0.837 -6.377 -13.613 397 2HB GLU 52 2HB GLU 52 -1.586 -7.915 -13.214 398 1HG GLU 52 1HG GLU 52 -3.765 -6.982 -13.927 399 2HG GLU 52 2HG GLU 52 -2.925 -5.524 -14.448 400 H GLU 53 H GLU 53 -4.491 -5.907 -12.558 401 HA GLU 53 HA GLU 53 -4.354 -3.064 -12.860 402 1HB GLU 53 1HB GLU 53 -6.016 -4.259 -14.125 403 2HB GLU 53 2HB GLU 53 -6.669 -5.006 -12.678 404 1HG GLU 53 1HG GLU 53 -7.654 -3.007 -11.954 405 2HG GLU 53 2HG GLU 53 -6.724 -2.039 -13.099 406 H ALA 54 H ALA 54 -5.667 -5.239 -10.406 407 HA ALA 54 HA ALA 54 -6.687 -3.373 -8.630 408 1HB ALA 54 1HB ALA 54 -6.389 -5.085 -6.915 409 2HB ALA 54 2HB ALA 54 -5.300 -5.974 -7.985 410 3HB ALA 54 3HB ALA 54 -7.001 -5.794 -8.411 411 H SER 55 H SER 55 -3.404 -4.690 -8.951 412 HA SER 55 HA SER 55 -2.290 -3.231 -6.807 413 1HB SER 55 1HB SER 55 -0.139 -3.776 -7.736 414 2HB SER 55 2HB SER 55 -1.183 -5.186 -7.919 415 HG SER 55 HG SER 55 -1.085 -4.985 -10.019 416 H ASN 56 H ASN 56 -2.660 -2.631 -10.229 417 HA ASN 56 HA ASN 56 -1.216 -0.286 -10.455 418 1HB ASN 56 1HB ASN 56 -3.473 -1.555 -11.923 419 2HB ASN 56 2HB ASN 56 -3.193 0.150 -12.247 420 1HD2 ASN 56 1HD2 ASN 56 -0.668 -2.107 -11.389 421 2HD2 ASN 56 2HD2 ASN 56 0.117 -2.114 -12.929 422 H GLN 57 H GLN 57 -4.437 -0.863 -9.198 423 HA GLN 57 HA GLN 57 -5.081 1.922 -8.942 424 1HB GLN 57 1HB GLN 57 -6.870 0.292 -9.148 425 2HB GLN 57 2HB GLN 57 -6.322 -0.542 -7.699 426 1HG GLN 57 1HG GLN 57 -6.952 1.298 -6.316 427 2HG GLN 57 2HG GLN 57 -7.294 2.306 -7.722 428 1HE2 GLN 57 1HE2 GLN 57 -9.179 1.974 -8.883 429 2HE2 GLN 57 2HE2 GLN 57 -10.491 1.032 -8.272 430 H LEU 58 H LEU 58 -3.734 -0.580 -6.832 431 HA LEU 58 HA LEU 58 -3.810 0.904 -4.425 432 1HB LEU 58 1HB LEU 58 -3.068 -1.638 -5.058 433 2HB LEU 58 2HB LEU 58 -1.495 -0.898 -4.893 434 HG LEU 58 HG LEU 58 -3.486 -1.586 -2.799 435 1HD1 LEU 58 1HD1 LEU 58 -1.283 -2.793 -3.209 436 2HD1 LEU 58 2HD1 LEU 58 -1.577 -2.250 -1.559 437 3HD1 LEU 58 3HD1 LEU 58 -0.484 -1.337 -2.601 438 1HD2 LEU 58 1HD2 LEU 58 -2.505 0.052 -1.246 439 2HD2 LEU 58 2HD2 LEU 58 -3.458 0.799 -2.532 440 3HD2 LEU 58 3HD2 LEU 58 -1.696 0.819 -2.613 441 H ILE 59 H ILE 59 -1.170 0.523 -6.848 442 HA ILE 59 HA ILE 59 0.561 2.329 -5.476 443 HB ILE 59 HB ILE 59 0.667 1.724 -8.447 444 1HG1 ILE 59 1HG1 ILE 59 2.336 0.187 -6.548 445 2HG1 ILE 59 2HG1 ILE 59 0.623 -0.210 -6.566 446 1HG2 ILE 59 1HG2 ILE 59 2.095 3.538 -7.714 447 2HG2 ILE 59 2HG2 ILE 59 3.063 2.130 -8.146 448 3HG2 ILE 59 3HG2 ILE 59 2.775 2.514 -6.448 449 1HD1 ILE 59 1HD1 ILE 59 2.002 -1.626 -8.020 450 2HD1 ILE 59 2HD1 ILE 59 2.381 -0.202 -8.994 451 3HD1 ILE 59 3HD1 ILE 59 0.715 -0.774 -8.875 452 H ASN 60 H ASN 60 -1.795 2.609 -8.125 453 HA ASN 60 HA ASN 60 -1.358 5.241 -8.909 454 1HB ASN 60 1HB ASN 60 -3.681 3.397 -8.998 455 2HB ASN 60 2HB ASN 60 -4.011 5.106 -9.256 456 1HD2 ASN 60 1HD2 ASN 60 -4.575 4.828 -11.390 457 2HD2 ASN 60 2HD2 ASN 60 -3.422 4.448 -12.620 458 H HIS 61 H HIS 61 -3.424 3.956 -6.330 459 HA HIS 61 HA HIS 61 -4.448 6.428 -5.468 460 1HB HIS 61 1HB HIS 61 -5.612 4.933 -4.244 461 2HB HIS 61 2HB HIS 61 -4.394 3.684 -4.508 462 HD1 HIS 61 HD1 HIS 61 -2.386 3.652 -2.799 463 HD2 HIS 61 HD2 HIS 61 -5.578 6.076 -1.773 464 HE1 HIS 61 HE1 HIS 61 -2.054 4.192 -0.375 465 HE2 HIS 61 HE2 HIS 61 -4.020 5.638 0.246 466 H ILE 62 H ILE 62 -1.622 4.540 -4.581 467 HA ILE 62 HA ILE 62 -0.593 6.277 -2.637 468 HB ILE 62 HB ILE 62 0.783 4.285 -4.433 469 1HG1 ILE 62 1HG1 ILE 62 0.261 4.107 -1.475 470 2HG1 ILE 62 2HG1 ILE 62 -0.946 3.614 -2.655 471 1HG2 ILE 62 1HG2 ILE 62 1.876 5.951 -2.179 472 2HG2 ILE 62 2HG2 ILE 62 2.482 5.812 -3.834 473 3HG2 ILE 62 3HG2 ILE 62 2.637 4.451 -2.720 474 1HD1 ILE 62 1HD1 ILE 62 0.199 1.681 -1.979 475 2HD1 ILE 62 2HD1 ILE 62 1.774 2.456 -2.218 476 3HD1 ILE 62 3HD1 ILE 62 0.762 2.072 -3.608 477 H GLU 63 H GLU 63 -0.698 6.443 -6.075 478 HA GLU 63 HA GLU 63 1.463 8.312 -6.348 479 1HB GLU 63 1HB GLU 63 -0.720 7.402 -8.218 480 2HB GLU 63 2HB GLU 63 0.415 8.674 -8.653 481 1HG GLU 63 1HG GLU 63 2.273 7.134 -8.319 482 2HG GLU 63 2HG GLU 63 1.137 5.854 -7.895 483 H GLN 64 H GLN 64 -2.067 8.469 -6.143 484 HA GLN 64 HA GLN 64 -2.368 11.228 -6.515 485 1HB GLN 64 1HB GLN 64 -4.294 9.714 -6.417 486 2HB GLN 64 2HB GLN 64 -3.948 9.353 -4.730 487 1HG GLN 64 1HG GLN 64 -4.411 11.677 -4.138 488 2HG GLN 64 2HG GLN 64 -4.757 12.038 -5.827 489 1HE2 GLN 64 1HE2 GLN 64 -5.662 9.042 -4.282 490 2HE2 GLN 64 2HE2 GLN 64 -7.366 9.324 -4.291 491 H PHE 65 H PHE 65 -1.854 9.311 -3.572 492 HA PHE 65 HA PHE 65 -1.609 11.502 -1.813 493 1HB PHE 65 1HB PHE 65 -1.634 9.714 -0.417 494 2HB PHE 65 2HB PHE 65 -1.126 8.621 -1.700 495 HD1 PHE 65 HD1 PHE 65 0.836 7.524 -1.396 496 HD2 PHE 65 HD2 PHE 65 0.347 11.370 0.359 497 HE1 PHE 65 HE1 PHE 65 3.100 7.388 -0.466 498 HE2 PHE 65 HE2 PHE 65 2.615 11.230 1.301 499 HZ PHE 65 HZ PHE 65 3.992 9.239 0.878 500 H LEU 66 H LEU 66 0.890 9.494 -3.381 501 HA LEU 66 HA LEU 66 3.084 10.966 -2.563 502 1HB LEU 66 1HB LEU 66 2.589 9.108 -4.850 503 2HB LEU 66 2HB LEU 66 4.072 10.063 -4.851 504 HG LEU 66 HG LEU 66 3.189 8.065 -2.762 505 1HD1 LEU 66 1HD1 LEU 66 5.567 8.029 -4.603 506 2HD1 LEU 66 2HD1 LEU 66 4.062 7.153 -4.890 507 3HD1 LEU 66 3HD1 LEU 66 5.057 6.760 -3.488 508 1HD2 LEU 66 1HD2 LEU 66 5.257 8.491 -1.597 509 2HD2 LEU 66 2HD2 LEU 66 4.365 10.006 -1.746 510 3HD2 LEU 66 3HD2 LEU 66 5.737 9.679 -2.808 511 H ASP 67 H ASP 67 0.611 11.805 -4.722 512 HA ASP 67 HA ASP 67 2.122 13.817 -6.127 513 1HB ASP 67 1HB ASP 67 0.112 12.742 -7.146 514 2HB ASP 67 2HB ASP 67 -0.883 13.498 -5.907 515 H THR 68 H THR 68 -0.172 13.626 -3.432 516 HA THR 68 HA THR 68 -0.241 16.396 -2.860 517 HB THR 68 HB THR 68 -1.771 14.502 -1.909 518 HG1 THR 68 HG1 THR 68 -2.319 15.908 -0.218 519 1HG2 THR 68 1HG2 THR 68 -1.063 14.135 0.568 520 2HG2 THR 68 2HG2 THR 68 0.568 14.391 -0.048 521 3HG2 THR 68 3HG2 THR 68 -0.420 13.078 -0.683 522 H ASN 69 H ASN 69 0.472 16.944 -0.382 523 HA ASN 69 HA ASN 69 3.374 16.432 -0.317 524 1HB ASN 69 1HB ASN 69 1.760 18.845 0.498 525 2HB ASN 69 2HB ASN 69 3.460 18.641 0.930 526 1HD2 ASN 69 1HD2 ASN 69 4.105 17.306 -1.584 527 2HD2 ASN 69 2HD2 ASN 69 4.128 18.542 -2.790 528 H GLU 70 H GLU 70 0.640 15.504 1.153 529 HA GLU 70 HA GLU 70 1.387 15.761 3.922 530 1HB GLU 70 1HB GLU 70 -0.676 13.836 2.896 531 2HB GLU 70 2HB GLU 70 -0.657 14.733 4.409 532 1HG GLU 70 1HG GLU 70 -0.871 16.190 1.814 533 2HG GLU 70 2HG GLU 70 -2.290 15.417 2.513 534 H THR 71 H THR 71 2.213 14.161 5.277 535 HA THR 71 HA THR 71 3.337 11.849 3.873 536 HB THR 71 HB THR 71 4.840 11.588 5.840 537 HG1 THR 71 HG1 THR 71 4.687 14.146 6.681 538 1HG2 THR 71 1HG2 THR 71 6.325 13.428 5.171 539 2HG2 THR 71 2HG2 THR 71 4.983 14.200 4.330 540 3HG2 THR 71 3HG2 THR 71 5.589 12.639 3.775 541 HA PRO 72 HA PRO 72 0.748 10.313 7.948 542 1HB PRO 72 1HB PRO 72 -1.555 10.928 6.122 543 2HB PRO 72 2HB PRO 72 -1.550 10.775 7.876 544 1HG PRO 72 1HG PRO 72 -1.572 13.167 6.716 545 2HG PRO 72 2HG PRO 72 -0.609 12.881 8.180 546 1HD PRO 72 1HD PRO 72 0.276 13.269 5.383 547 2HD PRO 72 2HD PRO 72 1.153 13.568 6.896 548 H TYR 73 H TYR 73 0.240 10.458 4.541 549 HA TYR 73 HA TYR 73 -0.490 7.684 4.263 550 1HB TYR 73 1HB TYR 73 -0.141 9.839 2.179 551 2HB TYR 73 2HB TYR 73 -0.952 8.285 1.970 552 HD1 TYR 73 HD1 TYR 73 -1.669 11.559 2.143 553 HD2 TYR 73 HD2 TYR 73 -2.687 7.974 4.192 554 HE1 TYR 73 HE1 TYR 73 -3.779 12.584 2.875 555 HE2 TYR 73 HE2 TYR 73 -4.801 8.989 4.930 556 HH TYR 73 HH TYR 73 -5.734 11.249 5.291 557 H PHE 74 H PHE 74 2.494 9.470 4.150 558 HA PHE 74 HA PHE 74 3.719 7.819 2.192 559 1HB PHE 74 1HB PHE 74 5.612 9.055 2.386 560 2HB PHE 74 2HB PHE 74 4.444 10.185 3.018 561 HD1 PHE 74 HD1 PHE 74 7.490 10.061 3.246 562 HD2 PHE 74 HD2 PHE 74 4.369 8.887 5.878 563 HE1 PHE 74 HE1 PHE 74 8.967 10.462 5.165 564 HE2 PHE 74 HE2 PHE 74 5.842 9.284 7.805 565 HZ PHE 74 HZ PHE 74 8.144 10.075 7.452 566 H MET 75 H MET 75 3.615 7.622 5.716 567 HA MET 75 HA MET 75 5.254 5.245 5.732 568 1HB MET 75 1HB MET 75 3.799 5.188 8.093 569 2HB MET 75 2HB MET 75 5.388 5.911 7.889 570 1HG MET 75 1HG MET 75 4.573 8.035 7.829 571 2HG MET 75 2HG MET 75 2.968 7.550 7.299 572 1HE MET 75 1HE MET 75 5.506 7.627 10.282 573 2HE MET 75 2HE MET 75 5.027 5.929 10.262 574 3HE MET 75 3HE MET 75 4.542 6.968 11.604 575 H LYS 76 H LYS 76 1.893 6.138 5.760 576 HA LYS 76 HA LYS 76 0.821 3.529 5.956 577 1HB LYS 76 1HB LYS 76 -0.426 5.655 6.375 578 2HB LYS 76 2HB LYS 76 -0.378 5.968 4.657 579 1HG LYS 76 1HG LYS 76 -1.430 3.399 4.934 580 2HG LYS 76 2HG LYS 76 -2.210 4.399 6.158 581 1HD LYS 76 1HD LYS 76 -3.496 4.517 4.136 582 2HD LYS 76 2HD LYS 76 -2.716 6.070 4.402 583 1HE LYS 76 1HE LYS 76 -1.400 3.987 2.725 584 2HE LYS 76 2HE LYS 76 -2.675 5.012 2.060 585 1HZ LYS 76 1HZ LYS 76 -0.090 5.887 3.180 586 2HZ LYS 76 2HZ LYS 76 -1.347 6.939 2.777 587 3HZ LYS 76 3HZ LYS 76 -0.608 6.012 1.574 588 H SER 77 H SER 77 2.288 5.400 3.459 589 HA SER 77 HA SER 77 1.281 3.970 1.213 590 1HB SER 77 1HB SER 77 2.763 5.190 -0.078 591 2HB SER 77 2HB SER 77 2.755 6.225 1.347 592 HG SER 77 HG SER 77 4.856 5.876 0.995 593 H ILE 78 H ILE 78 4.223 3.867 3.150 594 HA ILE 78 HA ILE 78 5.438 1.651 2.050 595 HB ILE 78 HB ILE 78 5.890 3.241 4.282 596 1HG1 ILE 78 1HG1 ILE 78 7.971 1.867 4.520 597 2HG1 ILE 78 2HG1 ILE 78 7.292 0.730 3.356 598 1HG2 ILE 78 1HG2 ILE 78 5.696 0.413 5.295 599 2HG2 ILE 78 2HG2 ILE 78 4.456 1.634 5.583 600 3HG2 ILE 78 3HG2 ILE 78 6.092 1.875 6.204 601 1HD1 ILE 78 1HD1 ILE 78 7.519 2.179 1.605 602 2HD1 ILE 78 2HD1 ILE 78 8.921 2.607 2.590 603 3HD1 ILE 78 3HD1 ILE 78 7.465 3.608 2.642 604 H ASP 79 H ASP 79 2.815 1.894 4.376 605 HA ASP 79 HA ASP 79 2.584 -0.817 5.026 606 1HB ASP 79 1HB ASP 79 0.817 1.558 5.206 607 2HB ASP 79 2HB ASP 79 0.054 -0.016 5.365 608 H CYS 80 H CYS 80 0.752 1.043 2.528 609 HA CYS 80 HA CYS 80 -0.653 -1.207 1.609 610 1HB CYS 80 1HB CYS 80 -0.602 0.235 -0.641 611 2HB CYS 80 2HB CYS 80 -1.662 0.598 0.713 612 HG CYS 80 HG CYS 80 -0.550 2.836 1.468 613 H ILE 81 H ILE 81 2.569 -0.022 0.852 614 HA ILE 81 HA ILE 81 3.122 -1.759 -1.335 615 HB ILE 81 HB ILE 81 4.811 -0.383 0.752 616 1HG1 ILE 81 1HG1 ILE 81 5.938 0.040 -1.724 617 2HG1 ILE 81 2HG1 ILE 81 4.217 -0.082 -2.096 618 1HG2 ILE 81 1HG2 ILE 81 6.053 -2.302 0.786 619 2HG2 ILE 81 2HG2 ILE 81 6.811 -1.439 -0.553 620 3HG2 ILE 81 3HG2 ILE 81 5.652 -2.730 -0.878 621 1HD1 ILE 81 1HD1 ILE 81 3.686 1.751 -0.766 622 2HD1 ILE 81 2HD1 ILE 81 5.184 2.223 -1.570 623 3HD1 ILE 81 3HD1 ILE 81 5.215 1.674 0.108 624 H ARG 82 H ARG 82 3.550 -1.985 2.184 625 HA ARG 82 HA ARG 82 4.631 -4.498 2.481 626 1HB ARG 82 1HB ARG 82 3.020 -2.667 4.118 627 2HB ARG 82 2HB ARG 82 2.856 -4.353 4.584 628 1HG ARG 82 1HG ARG 82 4.565 -3.633 5.925 629 2HG ARG 82 2HG ARG 82 5.458 -4.301 4.558 630 1HD ARG 82 1HD ARG 82 5.901 -2.171 3.682 631 2HD ARG 82 2HD ARG 82 4.701 -1.402 4.708 632 HE ARG 82 HE ARG 82 6.335 -1.133 6.258 633 1HH1 ARG 82 1HH1 ARG 82 7.153 -3.912 4.325 634 2HH1 ARG 82 2HH1 ARG 82 8.647 -4.204 5.151 635 1HH2 ARG 82 1HH2 ARG 82 8.297 -1.512 7.349 636 2HH2 ARG 82 2HH2 ARG 82 9.297 -2.843 6.869 637 H ALA 83 H ALA 83 1.269 -3.529 2.066 638 HA ALA 83 HA ALA 83 -0.021 -5.987 2.315 639 1HB ALA 83 1HB ALA 83 -1.139 -3.770 2.071 640 2HB ALA 83 2HB ALA 83 -1.795 -5.005 0.994 641 3HB ALA 83 3HB ALA 83 -0.689 -3.780 0.362 642 H PHE 84 H PHE 84 1.077 -4.309 -0.554 643 HA PHE 84 HA PHE 84 0.644 -6.132 -2.546 644 1HB PHE 84 1HB PHE 84 2.619 -4.008 -1.998 645 2HB PHE 84 2HB PHE 84 3.064 -5.158 -3.258 646 HD1 PHE 84 HD1 PHE 84 2.534 -2.140 -3.434 647 HD2 PHE 84 HD2 PHE 84 0.171 -5.593 -4.135 648 HE1 PHE 84 HE1 PHE 84 1.169 -0.877 -5.015 649 HE2 PHE 84 HE2 PHE 84 -1.203 -4.340 -5.719 650 HZ PHE 84 HZ PHE 84 -0.575 -1.924 -6.234 651 H ARG 85 H ARG 85 3.427 -5.777 -0.467 652 HA ARG 85 HA ARG 85 5.042 -7.588 -1.642 653 1HB ARG 85 1HB ARG 85 4.905 -6.826 1.267 654 2HB ARG 85 2HB ARG 85 6.238 -7.718 0.546 655 1HG ARG 85 1HG ARG 85 6.684 -5.833 -0.950 656 2HG ARG 85 2HG ARG 85 5.365 -4.937 -0.202 657 1HD ARG 85 1HD ARG 85 7.447 -4.219 0.758 658 2HD ARG 85 2HD ARG 85 6.525 -5.111 1.970 659 HE ARG 85 HE ARG 85 8.312 -6.820 0.566 660 1HH1 ARG 85 1HH1 ARG 85 8.188 -4.411 3.076 661 2HH1 ARG 85 2HH1 ARG 85 9.601 -5.000 3.887 662 1HH2 ARG 85 1HH2 ARG 85 10.172 -7.598 1.621 663 2HH2 ARG 85 2HH2 ARG 85 10.728 -6.812 3.060 664 H GLU 86 H GLU 86 3.075 -8.180 1.276 665 HA GLU 86 HA GLU 86 3.599 -10.955 1.369 666 1HB GLU 86 1HB GLU 86 1.282 -9.433 2.571 667 2HB GLU 86 2HB GLU 86 1.807 -11.047 3.030 668 1HG GLU 86 1HG GLU 86 3.920 -10.161 3.824 669 2HG GLU 86 2HG GLU 86 3.449 -8.541 3.314 670 H GLU 87 H GLU 87 0.629 -9.222 0.378 671 HA GLU 87 HA GLU 87 -0.909 -11.384 -0.368 672 1HB GLU 87 1HB GLU 87 -0.769 -8.547 -1.283 673 2HB GLU 87 2HB GLU 87 -1.758 -9.671 -2.205 674 1HG GLU 87 1HG GLU 87 -2.981 -8.390 -0.454 675 2HG GLU 87 2HG GLU 87 -3.129 -10.141 -0.327 676 H ALA 88 H ALA 88 1.491 -9.670 -2.390 677 HA ALA 88 HA ALA 88 1.046 -11.037 -4.750 678 1HB ALA 88 1HB ALA 88 3.709 -10.106 -3.698 679 2HB ALA 88 2HB ALA 88 2.558 -9.135 -4.620 680 3HB ALA 88 3HB ALA 88 3.343 -10.521 -5.373 681 H ILE 89 H ILE 89 3.022 -11.958 -1.976 682 HA ILE 89 HA ILE 89 4.086 -14.337 -3.027 683 HB ILE 89 HB ILE 89 3.416 -13.561 -0.184 684 1HG1 ILE 89 1HG1 ILE 89 6.103 -13.816 -1.547 685 2HG1 ILE 89 2HG1 ILE 89 5.216 -12.300 -1.414 686 1HG2 ILE 89 1HG2 ILE 89 3.348 -15.979 -0.376 687 2HG2 ILE 89 2HG2 ILE 89 4.778 -15.468 0.528 688 3HG2 ILE 89 3HG2 ILE 89 4.933 -15.977 -1.155 689 1HD1 ILE 89 1HD1 ILE 89 6.881 -12.385 0.298 690 2HD1 ILE 89 2HD1 ILE 89 6.308 -13.962 0.842 691 3HD1 ILE 89 3HD1 ILE 89 5.293 -12.535 1.050 692 H LYS 90 H LYS 90 1.249 -13.766 -0.984 693 HA LYS 90 HA LYS 90 0.286 -16.406 -1.087 694 1HB LYS 90 1HB LYS 90 -0.708 -13.797 -0.136 695 2HB LYS 90 2HB LYS 90 -1.950 -14.968 -0.534 696 1HG LYS 90 1HG LYS 90 -1.379 -15.068 1.825 697 2HG LYS 90 2HG LYS 90 -0.939 -16.572 1.015 698 1HD LYS 90 1HD LYS 90 0.848 -15.981 2.490 699 2HD LYS 90 2HD LYS 90 1.399 -15.697 0.838 700 1HE LYS 90 1HE LYS 90 0.857 -13.319 1.090 701 2HE LYS 90 2HE LYS 90 0.366 -13.615 2.756 702 1HZ LYS 90 1HZ LYS 90 2.635 -12.749 2.586 703 2HZ LYS 90 2HZ LYS 90 3.090 -14.102 1.679 704 3HZ LYS 90 3HZ LYS 90 2.603 -14.289 3.287 705 H PHE 91 H PHE 91 0.390 -14.035 -3.453 706 HA PHE 91 HA PHE 91 -1.822 -15.279 -4.927 707 1HB PHE 91 1HB PHE 91 -0.915 -12.449 -4.774 708 2HB PHE 91 2HB PHE 91 -1.648 -13.030 -6.275 709 HD1 PHE 91 HD1 PHE 91 -3.974 -13.435 -6.427 710 HD2 PHE 91 HD2 PHE 91 -2.211 -12.512 -2.671 711 HE1 PHE 91 HE1 PHE 91 -6.207 -13.111 -5.469 712 HE2 PHE 91 HE2 PHE 91 -4.447 -12.182 -1.700 713 HZ PHE 91 HZ PHE 91 -6.452 -12.516 -3.089 714 H SER 92 H SER 92 1.208 -15.783 -4.718 715 HA SER 92 HA SER 92 2.983 -16.246 -6.090 716 1HB SER 92 1HB SER 92 0.683 -17.228 -7.792 717 2HB SER 92 2HB SER 92 2.371 -17.689 -8.009 718 HG SER 92 HG SER 92 2.328 -18.672 -5.997 719 H GLU 93 H GLU 93 3.315 -13.889 -6.381 720 HA GLU 93 HA GLU 93 3.372 -13.269 -9.224 721 1HB GLU 93 1HB GLU 93 1.900 -11.664 -7.158 722 2HB GLU 93 2HB GLU 93 2.591 -10.872 -8.572 723 1HG GLU 93 1HG GLU 93 0.597 -13.129 -8.631 724 2HG GLU 93 2HG GLU 93 0.220 -11.422 -8.858 725 H GLU 94 H GLU 94 5.601 -13.425 -9.173 726 HA GLU 94 HA GLU 94 7.119 -11.887 -7.246 727 1HB GLU 94 1HB GLU 94 9.090 -12.784 -8.594 728 2HB GLU 94 2HB GLU 94 8.106 -13.962 -7.739 729 1HG GLU 94 1HG GLU 94 8.520 -14.911 -9.830 730 2HG GLU 94 2HG GLU 94 6.870 -14.299 -9.929 731 H GLN 95 H GLN 95 6.133 -11.639 -10.584 732 HA GLN 95 HA GLN 95 7.951 -9.598 -11.344 733 1HB GLN 95 1HB GLN 95 6.341 -9.202 -13.215 734 2HB GLN 95 2HB GLN 95 6.844 -10.878 -13.056 735 1HG GLN 95 1HG GLN 95 4.747 -11.381 -11.888 736 2HG GLN 95 2HG GLN 95 4.242 -9.707 -12.102 737 1HE2 GLN 95 1HE2 GLN 95 5.422 -9.520 -14.764 738 2HE2 GLN 95 2HE2 GLN 95 4.375 -10.405 -15.818 739 H ARG 96 H ARG 96 4.654 -9.558 -10.077 740 HA ARG 96 HA ARG 96 4.115 -6.844 -10.222 741 1HB ARG 96 1HB ARG 96 2.297 -8.107 -9.557 742 2HB ARG 96 2HB ARG 96 3.233 -9.033 -8.402 743 1HG ARG 96 1HG ARG 96 1.914 -7.740 -7.076 744 2HG ARG 96 2HG ARG 96 3.403 -6.811 -7.124 745 1HD ARG 96 1HD ARG 96 1.027 -6.335 -8.895 746 2HD ARG 96 2HD ARG 96 1.351 -5.476 -7.405 747 HE ARG 96 HE ARG 96 3.422 -4.667 -8.484 748 1HH1 ARG 96 1HH1 ARG 96 0.796 -5.826 -10.459 749 2HH1 ARG 96 2HH1 ARG 96 1.256 -4.894 -11.844 750 1HH2 ARG 96 1HH2 ARG 96 4.034 -3.435 -10.303 751 2HH2 ARG 96 2HH2 ARG 96 3.096 -3.537 -11.756 752 H PHE 97 H PHE 97 6.056 -8.627 -7.927 753 HA PHE 97 HA PHE 97 6.275 -6.593 -6.010 754 1HB PHE 97 1HB PHE 97 6.951 -9.144 -5.957 755 2HB PHE 97 2HB PHE 97 8.518 -8.521 -6.461 756 HD1 PHE 97 HD1 PHE 97 9.186 -6.313 -5.003 757 HD2 PHE 97 HD2 PHE 97 6.748 -9.553 -3.714 758 HE1 PHE 97 HE1 PHE 97 9.734 -5.789 -2.662 759 HE2 PHE 97 HE2 PHE 97 7.289 -9.034 -1.372 760 HZ PHE 97 HZ PHE 97 8.789 -7.189 -0.838 761 H ASN 98 H ASN 98 8.684 -7.589 -8.465 762 HA ASN 98 HA ASN 98 10.341 -5.344 -7.959 763 1HB ASN 98 1HB ASN 98 11.444 -5.974 -10.121 764 2HB ASN 98 2HB ASN 98 11.321 -7.296 -8.967 765 1HD2 ASN 98 1HD2 ASN 98 10.173 -5.993 -11.973 766 2HD2 ASN 98 2HD2 ASN 98 9.392 -7.430 -12.530 767 H ASN 99 H ASN 99 7.474 -5.770 -9.791 768 HA ASN 99 HA ASN 99 7.958 -3.555 -11.552 769 1HB ASN 99 1HB ASN 99 5.656 -5.396 -11.038 770 2HB ASN 99 2HB ASN 99 5.360 -3.884 -11.894 771 1HD2 ASN 99 1HD2 ASN 99 4.848 -4.893 -13.808 772 2HD2 ASN 99 2HD2 ASN 99 6.024 -5.689 -14.791 773 H PHE 100 H PHE 100 5.954 -4.074 -8.632 774 HA PHE 100 HA PHE 100 4.992 -1.377 -8.717 775 1HB PHE 100 1HB PHE 100 3.695 -1.877 -6.893 776 2HB PHE 100 2HB PHE 100 3.954 -3.494 -7.523 777 HD1 PHE 100 HD1 PHE 100 5.181 -5.115 -6.277 778 HD2 PHE 100 HD2 PHE 100 4.914 -1.102 -4.908 779 HE1 PHE 100 HE1 PHE 100 6.072 -5.807 -4.093 780 HE2 PHE 100 HE2 PHE 100 5.809 -1.784 -2.727 781 HZ PHE 100 HZ PHE 100 6.388 -4.138 -2.312 782 H LEU 101 H LEU 101 7.731 -3.005 -7.284 783 HA LEU 101 HA LEU 101 8.395 -0.804 -5.570 784 1HB LEU 101 1HB LEU 101 9.089 -3.169 -5.147 785 2HB LEU 101 2HB LEU 101 10.180 -3.047 -6.511 786 HG LEU 101 HG LEU 101 11.757 -1.869 -5.325 787 1HD1 LEU 101 1HD1 LEU 101 11.298 -0.297 -3.530 788 2HD1 LEU 101 2HD1 LEU 101 9.577 -0.685 -3.601 789 3HD1 LEU 101 3HD1 LEU 101 10.362 0.111 -4.967 790 1HD2 LEU 101 1HD2 LEU 101 10.129 -3.532 -3.486 791 2HD2 LEU 101 2HD2 LEU 101 11.357 -2.493 -2.770 792 3HD2 LEU 101 3HD2 LEU 101 11.816 -3.695 -3.975 793 H LYS 102 H LYS 102 9.595 -1.989 -8.720 794 HA LYS 102 HA LYS 102 11.508 0.125 -8.877 795 1HB LYS 102 1HB LYS 102 10.452 -1.770 -10.976 796 2HB LYS 102 2HB LYS 102 11.701 -0.574 -11.293 797 1HG LYS 102 1HG LYS 102 11.839 -3.009 -9.545 798 2HG LYS 102 2HG LYS 102 12.847 -2.582 -10.923 799 1HD LYS 102 1HD LYS 102 12.843 -1.300 -8.192 800 2HD LYS 102 2HD LYS 102 14.124 -2.274 -8.913 801 1HE LYS 102 1HE LYS 102 13.182 0.438 -9.839 802 2HE LYS 102 2HE LYS 102 14.695 0.080 -9.009 803 1HZ LYS 102 1HZ LYS 102 13.916 -0.883 -11.708 804 2HZ LYS 102 2HZ LYS 102 15.349 -1.294 -10.909 805 3HZ LYS 102 3HZ LYS 102 15.067 0.310 -11.367 806 H ALA 103 H ALA 103 8.154 -0.179 -9.696 807 HA ALA 103 HA ALA 103 8.189 2.131 -11.417 808 1HB ALA 103 1HB ALA 103 5.822 0.717 -10.193 809 2HB ALA 103 2HB ALA 103 6.547 0.328 -11.754 810 3HB ALA 103 3HB ALA 103 5.776 1.896 -11.505 811 H LEU 104 H LEU 104 7.156 1.432 -8.085 812 HA LEU 104 HA LEU 104 6.203 4.060 -7.613 813 1HB LEU 104 1HB LEU 104 6.086 3.469 -5.304 814 2HB LEU 104 2HB LEU 104 5.611 2.063 -6.230 815 HG LEU 104 HG LEU 104 8.111 1.332 -5.897 816 1HD1 LEU 104 1HD1 LEU 104 7.716 3.213 -3.579 817 2HD1 LEU 104 2HD1 LEU 104 8.867 3.425 -4.894 818 3HD1 LEU 104 3HD1 LEU 104 9.045 2.075 -3.778 819 1HD2 LEU 104 1HD2 LEU 104 6.179 1.278 -3.582 820 2HD2 LEU 104 2HD2 LEU 104 7.475 0.129 -3.914 821 3HD2 LEU 104 3HD2 LEU 104 6.083 0.227 -4.993 822 H GLN 105 H GLN 105 9.307 2.460 -7.211 823 HA GLN 105 HA GLN 105 10.538 4.665 -5.889 824 1HB GLN 105 1HB GLN 105 11.666 2.822 -5.331 825 2HB GLN 105 2HB GLN 105 11.350 2.005 -6.856 826 1HG GLN 105 1HG GLN 105 13.075 3.570 -7.862 827 2HG GLN 105 2HG GLN 105 13.474 3.986 -6.197 828 1HE2 GLN 105 1HE2 GLN 105 12.441 0.794 -7.070 829 2HE2 GLN 105 2HE2 GLN 105 13.966 0.019 -6.841 830 H GLU 106 H GLU 106 10.675 3.429 -9.258 831 HA GLU 106 HA GLU 106 12.414 5.394 -10.215 832 1HB GLU 106 1HB GLU 106 11.574 4.949 -12.419 833 2HB GLU 106 2HB GLU 106 11.592 3.421 -11.547 834 1HG GLU 106 1HG GLU 106 9.229 3.578 -11.146 835 2HG GLU 106 2HG GLU 106 9.171 5.164 -11.912 836 H LYS 107 H LYS 107 9.010 5.400 -9.445 837 HA LYS 107 HA LYS 107 8.311 7.874 -10.589 838 1HB LYS 107 1HB LYS 107 6.731 6.134 -9.704 839 2HB LYS 107 2HB LYS 107 7.183 6.619 -8.079 840 1HG LYS 107 1HG LYS 107 6.468 9.001 -9.045 841 2HG LYS 107 2HG LYS 107 5.454 7.965 -10.050 842 1HD LYS 107 1HD LYS 107 5.482 8.229 -7.056 843 2HD LYS 107 2HD LYS 107 4.135 8.472 -8.170 844 1HE LYS 107 1HE LYS 107 5.425 5.875 -7.361 845 2HE LYS 107 2HE LYS 107 3.767 6.397 -7.065 846 1HZ LYS 107 1HZ LYS 107 3.443 6.376 -9.510 847 2HZ LYS 107 2HZ LYS 107 3.761 4.851 -8.858 848 3HZ LYS 107 3HZ LYS 107 4.978 5.687 -9.681 849 H VAL 108 H VAL 108 9.390 7.022 -7.277 850 HA VAL 108 HA VAL 108 9.368 9.630 -6.247 851 HB VAL 108 HB VAL 108 10.431 8.842 -4.387 852 1HG1 VAL 108 1HG1 VAL 108 9.852 6.589 -3.912 853 2HG1 VAL 108 2HG1 VAL 108 9.753 6.209 -5.631 854 3HG1 VAL 108 3HG1 VAL 108 8.586 7.314 -4.903 855 1HG2 VAL 108 1HG2 VAL 108 12.125 6.858 -4.596 856 2HG2 VAL 108 2HG2 VAL 108 12.620 8.513 -4.949 857 3HG2 VAL 108 3HG2 VAL 108 12.228 7.409 -6.269 858 H GLU 109 H GLU 109 11.587 8.006 -8.355 859 HA GLU 109 HA GLU 109 13.769 9.826 -8.059 860 1HB GLU 109 1HB GLU 109 14.049 7.541 -8.950 861 2HB GLU 109 2HB GLU 109 13.089 7.978 -10.357 862 1HG GLU 109 1HG GLU 109 15.450 7.994 -10.882 863 2HG GLU 109 2HG GLU 109 14.767 9.614 -11.010 864 H ILE 110 H ILE 110 11.309 9.403 -10.597 865 HA ILE 110 HA ILE 110 11.988 11.557 -12.207 866 HB ILE 110 HB ILE 110 9.468 10.037 -11.745 867 1HG1 ILE 110 1HG1 ILE 110 9.727 9.465 -14.095 868 2HG1 ILE 110 2HG1 ILE 110 11.066 10.597 -14.249 869 1HG2 ILE 110 1HG2 ILE 110 8.348 11.381 -13.524 870 2HG2 ILE 110 2HG2 ILE 110 9.645 12.567 -13.365 871 3HG2 ILE 110 3HG2 ILE 110 8.578 12.237 -11.999 872 1HD1 ILE 110 1HD1 ILE 110 12.283 9.188 -12.554 873 2HD1 ILE 110 2HD1 ILE 110 11.993 8.437 -14.123 874 3HD1 ILE 110 3HD1 ILE 110 10.988 8.006 -12.740 875 H LYS 111 H LYS 111 9.662 11.420 -9.533 876 HA LYS 111 HA LYS 111 9.500 14.351 -9.538 877 1HB LYS 111 1HB LYS 111 7.709 12.162 -8.571 878 2HB LYS 111 2HB LYS 111 7.623 13.732 -7.786 879 1HG LYS 111 1HG LYS 111 7.452 14.550 -10.309 880 2HG LYS 111 2HG LYS 111 6.796 12.922 -10.506 881 1HD LYS 111 1HD LYS 111 5.829 14.894 -8.439 882 2HD LYS 111 2HD LYS 111 5.082 14.685 -10.025 883 1HE LYS 111 1HE LYS 111 4.686 12.305 -9.483 884 2HE LYS 111 2HE LYS 111 5.355 12.583 -7.876 885 1HZ LYS 111 1HZ LYS 111 2.953 12.669 -7.833 886 2HZ LYS 111 2HZ LYS 111 2.940 13.893 -9.000 887 3HZ LYS 111 3HZ LYS 111 3.591 14.195 -7.469 888 H GLN 112 H GLN 112 8.638 14.674 -6.905 889 HA GLN 112 HA GLN 112 11.147 14.493 -5.502 890 1HB GLN 112 1HB GLN 112 8.492 15.761 -4.877 891 2HB GLN 112 2HB GLN 112 9.787 15.692 -3.688 892 1HG GLN 112 1HG GLN 112 10.130 16.921 -6.405 893 2HG GLN 112 2HG GLN 112 9.576 17.831 -5.000 894 1HE2 GLN 112 1HE2 GLN 112 11.354 19.174 -4.990 895 2HE2 GLN 112 2HE2 GLN 112 12.930 18.637 -4.525 896 H LEU 113 H LEU 113 8.957 14.378 -3.108 897 HA LEU 113 HA LEU 113 8.234 12.789 -1.656 898 1HB LEU 113 1HB LEU 113 8.344 11.069 -4.121 899 2HB LEU 113 2HB LEU 113 7.638 10.573 -2.596 900 HG LEU 113 HG LEU 113 5.941 11.253 -4.145 901 1HD1 LEU 113 1HD1 LEU 113 6.204 13.336 -1.995 902 2HD1 LEU 113 2HD1 LEU 113 5.683 11.675 -1.707 903 3HD1 LEU 113 3HD1 LEU 113 4.712 12.739 -2.722 904 1HD2 LEU 113 1HD2 LEU 113 5.706 13.462 -5.022 905 2HD2 LEU 113 2HD2 LEU 113 7.303 12.852 -5.455 906 3HD2 LEU 113 3HD2 LEU 113 7.129 14.007 -4.134 907 H ASN 114 H ASN 114 11.207 13.094 -2.489 908 HA ASN 114 HA ASN 114 12.521 10.669 -2.258 909 1HB ASN 114 1HB ASN 114 13.449 13.306 -1.089 910 2HB ASN 114 2HB ASN 114 14.462 11.922 -1.492 911 1HD2 ASN 114 1HD2 ASN 114 15.719 13.118 -2.903 912 2HD2 ASN 114 2HD2 ASN 114 15.141 13.627 -4.450 913 H HIS 115 H HIS 115 10.991 12.640 0.192 914 HA HIS 115 HA HIS 115 12.072 11.494 2.501 915 1HB HIS 115 1HB HIS 115 9.244 12.484 2.069 916 2HB HIS 115 2HB HIS 115 10.021 12.238 3.629 917 HD1 HIS 115 HD1 HIS 115 9.944 14.564 0.702 918 HD2 HIS 115 HD2 HIS 115 11.818 14.241 4.398 919 HE1 HIS 115 HE1 HIS 115 11.019 16.802 1.110 920 HE2 HIS 115 HE2 HIS 115 12.174 16.573 3.337 921 H PHE 116 H PHE 116 9.270 10.543 0.540 922 HA PHE 116 HA PHE 116 8.428 8.348 2.015 923 1HB PHE 116 1HB PHE 116 7.025 8.912 0.222 924 2HB PHE 116 2HB PHE 116 8.359 9.005 -0.920 925 HD1 PHE 116 HD1 PHE 116 7.234 6.325 1.411 926 HD2 PHE 116 HD2 PHE 116 7.991 7.483 -2.614 927 HE1 PHE 116 HE1 PHE 116 6.727 4.038 0.661 928 HE2 PHE 116 HE2 PHE 116 7.483 5.198 -3.370 929 HZ PHE 116 HZ PHE 116 6.865 3.482 -1.770 930 H TRP 117 H TRP 117 10.749 8.488 -0.666 931 HA TRP 117 HA TRP 117 11.631 5.880 -0.644 932 1HB TRP 117 1HB TRP 117 12.401 7.308 -2.384 933 2HB TRP 117 2HB TRP 117 13.082 8.459 -1.243 934 HD1 TRP 117 HD1 TRP 117 15.553 8.096 -0.503 935 HE1 TRP 117 HE1 TRP 117 17.376 6.387 -1.117 936 HE3 TRP 117 HE3 TRP 117 12.678 4.715 -3.041 937 HZ2 TRP 117 HZ2 TRP 117 17.572 3.934 -2.495 938 HZ3 TRP 117 HZ3 TRP 117 13.761 2.715 -3.977 939 HH2 TRP 117 HH2 TRP 117 16.159 2.335 -3.709 940 H GLU 118 H GLU 118 12.623 8.598 1.394 941 HA GLU 118 HA GLU 118 14.772 7.467 2.718 942 1HB GLU 118 1HB GLU 118 12.701 9.342 3.871 943 2HB GLU 118 2HB GLU 118 14.267 9.002 4.583 944 1HG GLU 118 1HG GLU 118 13.718 10.394 1.979 945 2HG GLU 118 2HG GLU 118 14.367 11.098 3.455 946 H ILE 119 H ILE 119 11.345 7.450 3.847 947 HA ILE 119 HA ILE 119 11.898 5.797 6.063 948 HB ILE 119 HB ILE 119 9.538 5.314 6.228 949 1HG1 ILE 119 1HG1 ILE 119 9.333 6.571 3.489 950 2HG1 ILE 119 2HG1 ILE 119 8.977 4.896 3.911 951 1HG2 ILE 119 1HG2 ILE 119 10.405 7.498 6.962 952 2HG2 ILE 119 2HG2 ILE 119 8.712 7.566 6.471 953 3HG2 ILE 119 3HG2 ILE 119 9.969 8.177 5.394 954 1HD1 ILE 119 1HD1 ILE 119 7.148 5.737 5.362 955 2HD1 ILE 119 2HD1 ILE 119 6.926 6.063 3.644 956 3HD1 ILE 119 3HD1 ILE 119 7.452 7.353 4.724 957 H VAL 120 H VAL 120 11.139 4.960 2.690 958 HA VAL 120 HA VAL 120 10.804 2.200 3.209 959 HB VAL 120 HB VAL 120 10.465 1.947 1.036 960 1HG1 VAL 120 1HG1 VAL 120 10.154 3.918 -0.339 961 2HG1 VAL 120 2HG1 VAL 120 11.060 4.879 0.827 962 3HG1 VAL 120 3HG1 VAL 120 9.517 4.164 1.287 963 1HG2 VAL 120 1HG2 VAL 120 12.089 2.518 -0.714 964 2HG2 VAL 120 2HG2 VAL 120 12.788 1.568 0.595 965 3HG2 VAL 120 3HG2 VAL 120 13.093 3.303 0.504 966 H VAL 121 H VAL 121 13.701 4.183 2.726 967 HA VAL 121 HA VAL 121 15.505 1.981 2.585 968 HB VAL 121 HB VAL 121 17.198 3.467 2.468 969 1HG1 VAL 121 1HG1 VAL 121 15.373 4.422 1.056 970 2HG1 VAL 121 2HG1 VAL 121 16.624 5.565 1.546 971 3HG1 VAL 121 3HG1 VAL 121 15.061 5.567 2.361 972 1HG2 VAL 121 1HG2 VAL 121 15.913 5.006 4.709 973 2HG2 VAL 121 2HG2 VAL 121 17.415 5.482 3.919 974 3HG2 VAL 121 3HG2 VAL 121 17.324 3.953 4.793 975 H GLN 122 H GLN 122 14.106 3.891 5.130 976 HA GLN 122 HA GLN 122 15.605 2.763 7.276 977 1HB GLN 122 1HB GLN 122 14.654 4.917 7.613 978 2HB GLN 122 2HB GLN 122 13.064 4.377 7.101 979 1HG GLN 122 1HG GLN 122 12.690 3.223 9.093 980 2HG GLN 122 2HG GLN 122 14.392 3.284 9.548 981 1HE2 GLN 122 1HE2 GLN 122 13.936 4.219 11.538 982 2HE2 GLN 122 2HE2 GLN 122 13.435 5.865 11.691 983 H ASP 123 H ASP 123 12.932 1.771 5.402 984 HA ASP 123 HA ASP 123 12.218 -0.317 7.346 985 1HB ASP 123 1HB ASP 123 10.689 0.982 5.099 986 2HB ASP 123 2HB ASP 123 10.165 -0.545 5.808 987 H GLY 124 H GLY 124 14.073 0.132 4.633 988 1HA GLY 124 1HA GLY 124 15.037 -1.310 3.118 989 2HA GLY 124 2HA GLY 124 14.578 -2.605 4.219 990 H ILE 125 H ILE 125 13.203 -0.434 1.767 991 HA ILE 125 HA ILE 125 11.451 -2.649 0.914 992 HB ILE 125 HB ILE 125 10.695 0.259 0.775 993 1HG1 ILE 125 1HG1 ILE 125 11.041 -0.383 3.135 994 2HG1 ILE 125 2HG1 ILE 125 9.349 -0.052 2.780 995 1HG2 ILE 125 1HG2 ILE 125 9.030 -2.244 0.616 996 2HG2 ILE 125 2HG2 ILE 125 9.502 -1.223 -0.744 997 3HG2 ILE 125 3HG2 ILE 125 8.433 -0.587 0.508 998 1HD1 ILE 125 1HD1 ILE 125 10.604 -2.777 3.017 999 2HD1 ILE 125 2HD1 ILE 125 8.908 -2.449 2.661 1000 3HD1 ILE 125 3HD1 ILE 125 9.587 -1.987 4.222 1001 H THR 126 H THR 126 13.774 -2.559 -0.436 1002 HA THR 126 HA THR 126 12.901 -1.521 -3.017 1003 HB THR 126 HB THR 126 15.742 -1.018 -2.244 1004 HG1 THR 126 HG1 THR 126 13.845 1.051 -2.162 1005 1HG2 THR 126 1HG2 THR 126 15.537 0.658 -4.041 1006 2HG2 THR 126 2HG2 THR 126 13.864 0.154 -4.290 1007 3HG2 THR 126 3HG2 THR 126 15.183 -0.977 -4.602 1008 H LEU 127 H LEU 127 13.667 -2.547 -4.799 1009 HA LEU 127 HA LEU 127 14.220 -4.324 -6.052 1010 1HB LEU 127 1HB LEU 127 16.418 -4.840 -6.180 1011 2HB LEU 127 2HB LEU 127 16.505 -3.367 -5.242 1012 HG LEU 127 HG LEU 127 16.525 -4.962 -3.185 1013 1HD1 LEU 127 1HD1 LEU 127 16.760 -7.157 -3.510 1014 2HD1 LEU 127 2HD1 LEU 127 18.012 -6.908 -4.726 1015 3HD1 LEU 127 3HD1 LEU 127 16.313 -6.871 -5.191 1016 1HD2 LEU 127 1HD2 LEU 127 19.038 -5.270 -4.677 1017 2HD2 LEU 127 2HD2 LEU 127 18.739 -4.580 -3.081 1018 3HD2 LEU 127 3HD2 LEU 127 18.431 -3.622 -4.530 1019 H ILE 128 H ILE 128 14.445 -6.692 -6.180 1020 HA ILE 128 HA ILE 128 12.871 -7.950 -4.142 1021 HB ILE 128 HB ILE 128 14.332 -9.308 -6.405 1022 1HG1 ILE 128 1HG1 ILE 128 12.946 -7.559 -7.351 1023 2HG1 ILE 128 2HG1 ILE 128 12.176 -9.114 -7.642 1024 1HG2 ILE 128 1HG2 ILE 128 13.391 -10.665 -4.484 1025 2HG2 ILE 128 2HG2 ILE 128 12.846 -11.115 -6.101 1026 3HG2 ILE 128 3HG2 ILE 128 11.795 -10.170 -5.044 1027 1HD1 ILE 128 1HD1 ILE 128 10.512 -7.525 -7.014 1028 2HD1 ILE 128 2HD1 ILE 128 11.416 -7.077 -5.568 1029 3HD1 ILE 128 3HD1 ILE 128 10.702 -8.684 -5.701 1030 H THR 129 H THR 129 13.765 -8.201 -2.266 1031 HA THR 129 HA THR 129 16.367 -8.322 -1.547 1032 HB THR 129 HB THR 129 15.725 -9.133 0.547 1033 HG1 THR 129 HG1 THR 129 14.356 -10.737 0.767 1034 1HG2 THR 129 1HG2 THR 129 13.791 -7.858 1.127 1035 2HG2 THR 129 2HG2 THR 129 13.172 -7.943 -0.522 1036 3HG2 THR 129 3HG2 THR 129 14.614 -6.993 -0.171 1037 H LYS 130 H LYS 130 14.432 -11.065 -2.641 1038 HA LYS 130 HA LYS 130 16.492 -12.929 -1.934 1039 1HB LYS 130 1HB LYS 130 15.090 -14.601 -3.070 1040 2HB LYS 130 2HB LYS 130 14.209 -13.677 -1.866 1041 1HG LYS 130 1HG LYS 130 13.895 -12.321 -4.307 1042 2HG LYS 130 2HG LYS 130 13.643 -14.039 -4.638 1043 1HD LYS 130 1HD LYS 130 12.226 -12.327 -2.605 1044 2HD LYS 130 2HD LYS 130 11.534 -13.039 -4.059 1045 1HE LYS 130 1HE LYS 130 12.427 -14.416 -1.542 1046 2HE LYS 130 2HE LYS 130 10.822 -14.406 -2.272 1047 1HZ LYS 130 1HZ LYS 130 11.957 -16.498 -2.651 1048 2HZ LYS 130 2HZ LYS 130 13.234 -15.700 -3.421 1049 3HZ LYS 130 3HZ LYS 130 11.692 -15.696 -4.116 1050 H GLU 131 H GLU 131 15.082 -12.165 -5.143 1051 HA GLU 131 HA GLU 131 17.403 -11.602 -6.511 1052 1HB GLU 131 1HB GLU 131 17.779 -13.857 -7.644 1053 2HB GLU 131 2HB GLU 131 18.334 -13.727 -5.979 1054 1HG GLU 131 1HG GLU 131 16.335 -14.864 -5.197 1055 2HG GLU 131 2HG GLU 131 15.723 -14.950 -6.844 1056 H GLU 132 H GLU 132 14.864 -10.693 -6.795 1057 HA GLU 132 HA GLU 132 13.183 -10.305 -8.291 1058 1HB GLU 132 1HB GLU 132 15.156 -11.622 -10.165 1059 2HB GLU 132 2HB GLU 132 13.688 -10.810 -10.690 1060 1HG GLU 132 1HG GLU 132 14.514 -8.715 -9.719 1061 2HG GLU 132 2HG GLU 132 16.000 -9.540 -9.237 1062 H ALA 133 H ALA 133 13.048 -12.634 -6.697 1063 HA ALA 133 HA ALA 133 11.466 -14.400 -8.445 1064 1HB ALA 133 1HB ALA 133 13.367 -15.186 -6.252 1065 2HB ALA 133 2HB ALA 133 13.506 -15.551 -7.972 1066 3HB ALA 133 3HB ALA 133 12.225 -16.294 -7.012 1067 H SER 134 H SER 134 10.544 -16.131 -6.515 1068 HA SER 134 HA SER 134 9.048 -14.422 -4.639 1069 1HB SER 134 1HB SER 134 7.072 -15.884 -5.015 1070 2HB SER 134 2HB SER 134 7.557 -15.020 -6.474 1071 HG SER 134 HG SER 134 8.656 -17.544 -6.051 1072 H GLY 135 H GLY 135 10.718 -17.379 -5.294 1073 1HA GLY 135 1HA GLY 135 10.599 -18.053 -2.433 1074 2HA GLY 135 2HA GLY 135 10.225 -19.294 -3.621 1075 H SER 136 H SER 136 12.696 -17.632 -1.940 1076 HA SER 136 HA SER 136 14.712 -19.310 -3.238 1077 1HB SER 136 1HB SER 136 14.993 -16.323 -2.844 1078 2HB SER 136 2HB SER 136 16.289 -17.398 -3.361 1079 HG SER 136 HG SER 136 14.876 -17.953 -5.161 1080 H SER 137 H SER 137 16.936 -18.207 -1.909 1081 HA SER 137 HA SER 137 16.293 -18.834 0.897 1082 1HB SER 137 1HB SER 137 18.843 -19.434 -0.616 1083 2HB SER 137 2HB SER 137 18.563 -19.779 1.090 1084 HG SER 137 HG SER 137 16.590 -20.780 -0.482 1085 H VAL 138 H VAL 138 17.380 -16.448 -1.183 1086 HA VAL 138 HA VAL 138 19.269 -15.166 0.550 1087 HB VAL 138 HB VAL 138 17.750 -14.035 -1.805 1088 1HG1 VAL 138 1HG1 VAL 138 18.587 -12.262 -0.407 1089 2HG1 VAL 138 2HG1 VAL 138 19.578 -12.371 -1.862 1090 3HG1 VAL 138 3HG1 VAL 138 20.176 -13.023 -0.335 1091 1HG2 VAL 138 1HG2 VAL 138 19.111 -15.966 -2.416 1092 2HG2 VAL 138 2HG2 VAL 138 20.517 -15.223 -1.654 1093 3HG2 VAL 138 3HG2 VAL 138 19.789 -14.478 -3.077 1094 H THR 139 H THR 139 18.973 -13.183 1.688 1095 HA THR 139 HA THR 139 16.196 -12.799 2.590 1096 HB THR 139 HB THR 139 17.575 -13.734 4.341 1097 HG1 THR 139 HG1 THR 139 17.412 -11.025 5.089 1098 1HG2 THR 139 1HG2 THR 139 19.751 -12.984 3.473 1099 2HG2 THR 139 2HG2 THR 139 19.555 -12.612 5.187 1100 3HG2 THR 139 3HG2 THR 139 19.373 -11.336 3.982 1101 H ALA 140 H ALA 140 16.249 -10.572 3.966 1102 HA ALA 140 HA ALA 140 15.937 -8.494 2.221 1103 1HB ALA 140 1HB ALA 140 15.840 -7.044 4.141 1104 2HB ALA 140 2HB ALA 140 16.666 -8.252 5.126 1105 3HB ALA 140 3HB ALA 140 15.050 -8.579 4.501 1106 H GLU 141 H GLU 141 18.947 -9.729 3.211 1107 HA GLU 141 HA GLU 141 20.618 -7.619 3.550 1108 1HB GLU 141 1HB GLU 141 20.979 -10.236 2.167 1109 2HB GLU 141 2HB GLU 141 22.279 -9.051 2.113 1110 1HG GLU 141 1HG GLU 141 22.377 -8.992 4.519 1111 2HG GLU 141 2HG GLU 141 21.005 -10.091 4.631 1112 H GLU 142 H GLU 142 19.713 -8.865 0.311 1113 HA GLU 142 HA GLU 142 21.166 -7.021 -1.166 1114 1HB GLU 142 1HB GLU 142 18.429 -8.103 -1.870 1115 2HB GLU 142 2HB GLU 142 19.601 -7.428 -2.996 1116 1HG GLU 142 1HG GLU 142 21.161 -9.295 -2.186 1117 2HG GLU 142 2HG GLU 142 19.703 -10.030 -1.522 1118 H ALA 143 H ALA 143 17.912 -6.732 0.174 1119 HA ALA 143 HA ALA 143 17.352 -4.194 -0.890 1120 1HB ALA 143 1HB ALA 143 16.282 -5.413 1.647 1121 2HB ALA 143 2HB ALA 143 15.646 -5.694 0.025 1122 3HB ALA 143 3HB ALA 143 15.568 -4.080 0.735 1123 H LYS 144 H LYS 144 18.363 -5.035 2.462 1124 HA LYS 144 HA LYS 144 18.729 -2.401 3.306 1125 1HB LYS 144 1HB LYS 144 20.154 -3.315 5.083 1126 2HB LYS 144 2HB LYS 144 18.687 -4.261 4.882 1127 1HG LYS 144 1HG LYS 144 19.959 -5.912 3.583 1128 2HG LYS 144 2HG LYS 144 21.426 -4.978 3.865 1129 1HD LYS 144 1HD LYS 144 21.320 -6.815 5.435 1130 2HD LYS 144 2HD LYS 144 21.117 -5.289 6.299 1131 1HE LYS 144 1HE LYS 144 18.707 -6.785 5.361 1132 2HE LYS 144 2HE LYS 144 19.557 -7.331 6.806 1133 1HZ LYS 144 1HZ LYS 144 19.247 -5.139 7.774 1134 2HZ LYS 144 2HZ LYS 144 17.757 -5.819 7.355 1135 3HZ LYS 144 3HZ LYS 144 18.436 -4.611 6.387 1136 H LYS 145 H LYS 145 20.523 -4.301 1.120 1137 HA LYS 145 HA LYS 145 22.954 -2.743 1.381 1138 1HB LYS 145 1HB LYS 145 23.020 -5.166 0.884 1139 2HB LYS 145 2HB LYS 145 22.193 -4.862 -0.636 1140 1HG LYS 145 1HG LYS 145 24.553 -5.167 -1.004 1141 2HG LYS 145 2HG LYS 145 24.088 -3.511 -1.392 1142 1HD LYS 145 1HD LYS 145 26.152 -3.433 -0.187 1143 2HD LYS 145 2HD LYS 145 24.880 -2.840 0.883 1144 1HE LYS 145 1HE LYS 145 24.774 -5.017 1.977 1145 2HE LYS 145 2HE LYS 145 26.012 -5.638 0.887 1146 1HZ LYS 145 1HZ LYS 145 27.567 -4.026 1.795 1147 2HZ LYS 145 2HZ LYS 145 26.948 -5.012 3.021 1148 3HZ LYS 145 3HZ LYS 145 26.377 -3.431 2.842 1149 H PHE 146 H PHE 146 20.097 -2.848 -0.656 1150 HA PHE 146 HA PHE 146 21.234 -1.184 -2.698 1151 1HB PHE 146 1HB PHE 146 19.372 -2.838 -3.080 1152 2HB PHE 146 2HB PHE 146 18.284 -1.701 -2.294 1153 HD1 PHE 146 HD1 PHE 146 20.993 -0.316 -4.279 1154 HD2 PHE 146 HD2 PHE 146 16.987 -1.737 -4.382 1155 HE1 PHE 146 HE1 PHE 146 20.662 0.787 -6.444 1156 HE2 PHE 146 HE2 PHE 146 16.647 -0.633 -6.543 1157 HZ PHE 146 HZ PHE 146 18.483 0.636 -7.586 1158 H LEU 147 H LEU 147 18.776 -0.610 -0.158 1159 HA LEU 147 HA LEU 147 18.849 2.228 -0.765 1160 1HB LEU 147 1HB LEU 147 17.173 2.353 1.154 1161 2HB LEU 147 2HB LEU 147 16.675 1.579 -0.329 1162 HG LEU 147 HG LEU 147 16.008 0.527 1.926 1163 1HD1 LEU 147 1HD1 LEU 147 15.472 -0.599 -0.040 1164 2HD1 LEU 147 2HD1 LEU 147 16.346 -1.779 0.937 1165 3HD1 LEU 147 3HD1 LEU 147 17.159 -0.962 -0.398 1166 1HD2 LEU 147 1HD2 LEU 147 17.569 -1.055 2.867 1167 2HD2 LEU 147 2HD2 LEU 147 18.256 0.568 2.924 1168 3HD2 LEU 147 3HD2 LEU 147 18.801 -0.578 1.700 1169 H ALA 148 H ALA 148 21.203 0.835 0.400 1170 HA ALA 148 HA ALA 148 21.452 1.725 3.102 1171 1HB ALA 148 1HB ALA 148 23.651 0.939 1.198 1172 2HB ALA 148 2HB ALA 148 22.723 -0.187 2.187 1173 3HB ALA 148 3HB ALA 148 23.747 1.023 2.958 1174 HA PRO 149 HA PRO 149 22.874 5.832 2.170 1175 1HB PRO 149 1HB PRO 149 23.454 6.575 4.709 1176 2HB PRO 149 2HB PRO 149 21.801 6.347 4.132 1177 1HG PRO 149 1HG PRO 149 23.338 4.727 6.013 1178 2HG PRO 149 2HG PRO 149 21.600 4.711 5.684 1179 1HD PRO 149 1HD PRO 149 23.677 2.927 4.684 1180 2HD PRO 149 2HD PRO 149 21.915 2.761 4.569 1181 H LYS 150 H LYS 150 24.958 3.395 3.268 1182 HA LYS 150 HA LYS 150 27.291 5.185 3.151 1183 1HB LYS 150 1HB LYS 150 28.490 3.263 4.274 1184 2HB LYS 150 2HB LYS 150 27.263 4.070 5.243 1185 1HG LYS 150 1HG LYS 150 25.681 2.272 4.726 1186 2HG LYS 150 2HG LYS 150 26.931 1.457 3.780 1187 1HD LYS 150 1HD LYS 150 28.307 1.199 5.753 1188 2HD LYS 150 2HD LYS 150 27.151 2.123 6.715 1189 1HE LYS 150 1HE LYS 150 25.454 0.402 6.324 1190 2HE LYS 150 2HE LYS 150 26.609 -0.519 5.362 1191 1HZ LYS 150 1HZ LYS 150 26.462 -1.376 7.610 1192 2HZ LYS 150 2HZ LYS 150 26.885 0.133 8.247 1193 3HZ LYS 150 3HZ LYS 150 28.006 -0.739 7.329 1194 H ASP 151 H ASP 151 29.261 4.275 2.177 1195 HA ASP 151 HA ASP 151 28.702 2.347 0.030 1196 1HB ASP 151 1HB ASP 151 30.073 3.705 -1.511 1197 2HB ASP 151 2HB ASP 151 28.650 4.580 -0.956 1198 H LYS 152 H LYS 152 31.226 2.325 -1.120 1199 HA LYS 152 HA LYS 152 33.015 1.572 1.088 1200 1HB LYS 152 1HB LYS 152 32.555 -0.063 -1.414 1201 2HB LYS 152 2HB LYS 152 33.687 -0.444 -0.123 1202 1HG LYS 152 1HG LYS 152 31.874 -0.778 1.430 1203 2HG LYS 152 2HG LYS 152 30.700 -0.267 0.215 1204 1HD LYS 152 1HD LYS 152 31.365 -2.175 -1.193 1205 2HD LYS 152 2HD LYS 152 32.485 -2.695 0.066 1206 1HE LYS 152 1HE LYS 152 30.631 -2.987 1.616 1207 2HE LYS 152 2HE LYS 152 29.500 -2.417 0.390 1208 1HZ LYS 152 1HZ LYS 152 29.522 -4.830 0.533 1209 2HZ LYS 152 2HZ LYS 152 31.178 -4.859 0.185 1210 3HZ LYS 152 3HZ LYS 152 30.080 -4.316 -0.982
Contact the webmaster for help, if required. Sunday, July 7, 2024 7:47:19 PM GMT (wattos1)