NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | position | program | type |
3964 | 1egx | cing | recoord | dress | 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 12.644 15.900 6.929 2 2H MET 1 2H MET 1 11.857 16.684 8.237 3 3H MET 1 3H MET 1 11.778 17.354 6.660 4 HA MET 1 HA MET 1 9.769 16.169 7.452 5 1HB MET 1 2HB MET 1 10.655 16.651 5.036 6 2HB MET 1 1HB MET 1 10.920 14.914 4.983 7 1HG MET 1 2HG MET 1 8.271 15.674 5.945 8 2HG MET 1 1HG MET 1 8.611 16.195 4.296 9 1HE MET 1 1HE MET 1 8.979 15.037 2.476 10 2HE MET 1 2HE MET 1 7.479 14.116 2.367 11 3HE MET 1 3HE MET 1 9.032 13.294 2.207 12 H SER 2 H SER 2 8.757 14.138 7.729 13 HA SER 2 HA SER 2 10.282 12.233 9.139 14 1HB SER 2 2HB SER 2 8.041 10.843 8.600 15 2HB SER 2 1HB SER 2 8.111 12.100 9.834 16 HG SER 2 HG SER 2 6.686 13.137 8.711 17 H GLU 3 H GLU 3 11.805 11.037 8.188 18 HA GLU 3 HA GLU 3 12.892 9.694 6.700 19 1HB GLU 3 2HB GLU 3 10.167 8.584 6.054 20 2HB GLU 3 1HB GLU 3 11.707 7.755 5.994 21 1HG GLU 3 2HG GLU 3 10.685 6.944 7.919 22 2HG GLU 3 1HG GLU 3 11.843 8.137 8.501 23 H THR 4 H THR 4 12.300 8.604 4.280 24 HA THR 4 HA THR 4 11.742 10.960 2.598 25 HB THR 4 HB THR 4 13.716 8.723 2.100 26 HG1 THR 4 HG1 THR 4 14.255 10.458 3.636 27 1HG2 THR 4 1HG2 THR 4 14.374 10.659 0.337 28 2HG2 THR 4 2HG2 THR 4 12.614 10.765 0.312 29 3HG2 THR 4 3HG2 THR 4 13.411 9.234 -0.054 30 H VAL 5 H VAL 5 9.746 10.650 1.803 31 HA VAL 5 HA VAL 5 8.524 8.165 1.359 32 HB VAL 5 HB VAL 5 7.909 10.877 0.177 33 1HG1 VAL 5 1HG1 VAL 5 6.468 8.258 -0.098 34 2HG1 VAL 5 2HG1 VAL 5 6.915 9.412 -1.354 35 3HG1 VAL 5 3HG1 VAL 5 5.621 9.796 -0.221 36 1HG2 VAL 5 1HG2 VAL 5 6.671 11.284 2.002 37 2HG2 VAL 5 2HG2 VAL 5 7.637 10.011 2.748 38 3HG2 VAL 5 3HG2 VAL 5 6.052 9.634 2.071 39 H ILE 6 H ILE 6 7.936 7.160 -0.675 40 HA ILE 6 HA ILE 6 10.075 7.432 -2.670 41 HB ILE 6 HB ILE 6 8.187 5.123 -2.682 42 1HG1 ILE 6 2HG1 ILE 6 10.185 5.736 -0.574 43 2HG1 ILE 6 1HG1 ILE 6 8.709 4.794 -0.481 44 1HG2 ILE 6 1HG2 ILE 6 11.141 5.104 -3.171 45 2HG2 ILE 6 2HG2 ILE 6 10.011 5.658 -4.407 46 3HG2 ILE 6 3HG2 ILE 6 9.902 4.011 -3.788 47 1HD1 ILE 6 1HD1 ILE 6 9.829 2.928 -1.590 48 2HD1 ILE 6 2HD1 ILE 6 10.644 3.402 -0.101 49 3HD1 ILE 6 3HD1 ILE 6 11.316 3.874 -1.659 50 H CYS 7 H CYS 7 6.621 6.513 -2.660 51 HA CYS 7 HA CYS 7 6.216 8.266 -4.970 52 1HB CYS 7 2HB CYS 7 6.346 5.429 -5.111 53 2HB CYS 7 1HB CYS 7 4.673 5.898 -5.382 54 HG CYS 7 HG CYS 7 5.644 6.032 -7.689 55 H SER 8 H SER 8 3.695 7.976 -5.582 56 HA SER 8 HA SER 8 2.010 7.787 -3.227 57 1HB SER 8 2HB SER 8 1.277 10.027 -3.156 58 2HB SER 8 1HB SER 8 3.027 10.153 -3.323 59 HG SER 8 HG SER 8 1.058 10.487 -5.329 60 H SER 9 H SER 9 0.214 6.778 -3.856 61 HA SER 9 HA SER 9 -0.833 7.342 -6.552 62 1HB SER 9 2HB SER 9 -1.187 5.087 -7.004 63 2HB SER 9 1HB SER 9 0.355 5.054 -6.153 64 HG SER 9 HG SER 9 -2.214 4.408 -5.162 65 H ARG 10 H ARG 10 -3.102 7.069 -6.834 66 HA ARG 10 HA ARG 10 -4.622 7.611 -4.390 67 1HB ARG 10 2HB ARG 10 -4.891 9.149 -6.302 68 2HB ARG 10 1HB ARG 10 -5.446 7.811 -7.297 69 1HG ARG 10 2HG ARG 10 -7.205 7.588 -5.312 70 2HG ARG 10 1HG ARG 10 -6.854 9.312 -5.174 71 1HD ARG 10 2HD ARG 10 -7.195 9.241 -7.785 72 2HD ARG 10 1HD ARG 10 -8.134 7.801 -7.397 73 HE ARG 10 HE ARG 10 -9.112 9.651 -5.686 74 1HH1 ARG 10 2HH1 ARG 10 -8.615 9.627 -9.140 75 2HH1 ARG 10 1HH1 ARG 10 -9.942 10.690 -9.465 76 1HH2 ARG 10 1HH2 ARG 10 -10.859 11.049 -6.111 77 2HH2 ARG 10 2HH2 ARG 10 -11.218 11.496 -7.745 78 H ALA 11 H ALA 11 -5.717 6.006 -3.427 79 HA ALA 11 HA ALA 11 -7.269 4.101 -4.838 80 1HB ALA 11 1HB ALA 11 -5.874 2.094 -4.107 81 2HB ALA 11 2HB ALA 11 -4.556 3.242 -3.885 82 3HB ALA 11 3HB ALA 11 -5.275 3.028 -5.478 83 H THR 12 H THR 12 -8.372 2.611 -3.454 84 HA THR 12 HA THR 12 -8.499 3.540 -0.675 85 HB THR 12 HB THR 12 -10.482 1.578 -1.672 86 HG1 THR 12 HG1 THR 12 -10.910 2.685 -3.387 87 1HG2 THR 12 1HG2 THR 12 -12.047 3.288 -0.667 88 2HG2 THR 12 2HG2 THR 12 -10.604 4.115 -0.079 89 3HG2 THR 12 3HG2 THR 12 -10.952 2.468 0.446 90 H VAL 13 H VAL 13 -6.774 2.444 0.230 91 HA VAL 13 HA VAL 13 -5.911 -0.105 -0.165 92 HB VAL 13 HB VAL 13 -6.045 1.270 2.510 93 1HG1 VAL 13 1HG1 VAL 13 -5.539 -1.160 2.605 94 2HG1 VAL 13 2HG1 VAL 13 -4.211 -0.142 3.165 95 3HG1 VAL 13 3HG1 VAL 13 -4.147 -0.871 1.560 96 1HG2 VAL 13 1HG2 VAL 13 -4.017 1.379 0.284 97 2HG2 VAL 13 2HG2 VAL 13 -3.698 1.945 1.924 98 3HG2 VAL 13 3HG2 VAL 13 -4.954 2.715 0.955 99 H MET 14 H MET 14 -6.350 -2.114 0.507 100 HA MET 14 HA MET 14 -8.751 -2.545 2.143 101 1HB MET 14 2HB MET 14 -8.645 -2.989 -0.625 102 2HB MET 14 1HB MET 14 -8.483 -4.571 0.090 103 1HG MET 14 2HG MET 14 -10.550 -4.459 1.151 104 2HG MET 14 1HG MET 14 -10.635 -2.708 0.991 105 1HE MET 14 1HE MET 14 -13.423 -2.813 -0.714 106 2HE MET 14 2HE MET 14 -12.930 -3.740 0.704 107 3HE MET 14 3HE MET 14 -13.520 -4.574 -0.734 108 H LEU 15 H LEU 15 -8.688 -4.279 3.507 109 HA LEU 15 HA LEU 15 -6.155 -5.779 3.590 110 1HB LEU 15 2HB LEU 15 -7.966 -4.737 5.726 111 2HB LEU 15 1HB LEU 15 -7.034 -6.187 6.043 112 HG LEU 15 HG LEU 15 -5.981 -3.431 5.436 113 1HD1 LEU 15 1HD1 LEU 15 -5.085 -5.026 7.751 114 2HD1 LEU 15 2HD1 LEU 15 -6.745 -4.434 7.799 115 3HD1 LEU 15 3HD1 LEU 15 -5.410 -3.297 7.616 116 1HD2 LEU 15 1HD2 LEU 15 -4.720 -6.069 5.108 117 2HD2 LEU 15 2HD2 LEU 15 -3.777 -4.880 6.006 118 3HD2 LEU 15 3HD2 LEU 15 -4.325 -4.518 4.368 119 H TYR 16 H TYR 16 -6.232 -7.911 3.265 120 HA TYR 16 HA TYR 16 -8.774 -9.180 2.798 121 1HB TYR 16 2HB TYR 16 -6.538 -9.563 1.539 122 2HB TYR 16 1HB TYR 16 -6.158 -10.644 2.870 123 HD1 TYR 16 HD1 TYR 16 -7.229 -12.771 3.082 124 HD2 TYR 16 HD2 TYR 16 -8.417 -10.064 0.021 125 HE1 TYR 16 HE1 TYR 16 -8.490 -14.576 1.989 126 HE2 TYR 16 HE2 TYR 16 -9.684 -11.857 -1.083 127 HH TYR 16 HH TYR 16 -9.260 -14.950 -0.637 128 H ASP 17 H ASP 17 -9.650 -10.915 3.869 129 HA ASP 17 HA ASP 17 -8.560 -11.462 6.553 130 1HB ASP 17 2HB ASP 17 -10.898 -10.184 6.135 131 2HB ASP 17 1HB ASP 17 -11.466 -11.851 6.080 132 H ASP 18 H ASP 18 -7.389 -13.190 5.441 133 HA ASP 18 HA ASP 18 -8.400 -15.236 3.948 134 1HB ASP 18 2HB ASP 18 -6.136 -14.945 5.801 135 2HB ASP 18 1HB ASP 18 -6.653 -16.606 5.534 136 H GLY 19 H GLY 19 -8.878 -14.683 7.360 137 1HA GLY 19 2HA GLY 19 -9.730 -17.228 8.159 138 2HA GLY 19 1HA GLY 19 -10.254 -15.715 8.885 139 H ASN 20 H ASN 20 -11.343 -14.752 6.319 140 HA ASN 20 HA ASN 20 -13.729 -16.473 6.162 141 1HB ASN 20 2HB ASN 20 -13.499 -13.476 6.276 142 2HB ASN 20 1HB ASN 20 -14.921 -14.255 5.590 143 1HD2 ASN 20 1HD2 ASN 20 -12.846 -14.544 8.458 144 2HD2 ASN 20 2HD2 ASN 20 -14.143 -14.726 9.585 145 H LYS 21 H LYS 21 -11.119 -15.256 4.464 146 HA LYS 21 HA LYS 21 -10.541 -15.276 2.265 147 1HB LYS 21 2HB LYS 21 -11.892 -17.497 2.487 148 2HB LYS 21 1HB LYS 21 -13.128 -16.636 1.583 149 1HG LYS 21 2HG LYS 21 -12.086 -17.084 -0.314 150 2HG LYS 21 1HG LYS 21 -10.632 -16.274 0.267 151 1HD LYS 21 2HD LYS 21 -9.578 -18.216 0.547 152 2HD LYS 21 1HD LYS 21 -10.916 -18.871 1.491 153 1HE LYS 21 2HE LYS 21 -11.135 -18.687 -1.484 154 2HE LYS 21 1HE LYS 21 -10.223 -20.006 -0.750 155 1HZ LYS 21 1HZ LYS 21 -12.224 -20.992 -0.721 156 2HZ LYS 21 2HZ LYS 21 -13.082 -19.537 -0.803 157 3HZ LYS 21 3HZ LYS 21 -12.474 -20.076 0.680 158 H ARG 22 H ARG 22 -10.921 -12.931 2.416 159 HA ARG 22 HA ARG 22 -12.294 -11.911 0.227 160 1HB ARG 22 2HB ARG 22 -14.123 -10.660 1.507 161 2HB ARG 22 1HB ARG 22 -14.388 -12.369 1.192 162 1HG ARG 22 2HG ARG 22 -14.759 -12.654 3.356 163 2HG ARG 22 1HG ARG 22 -13.067 -12.252 3.659 164 1HD ARG 22 2HD ARG 22 -14.056 -10.667 4.960 165 2HD ARG 22 1HD ARG 22 -14.001 -9.784 3.436 166 HE ARG 22 HE ARG 22 -16.289 -9.890 3.320 167 1HH1 ARG 22 2HH1 ARG 22 -15.166 -12.090 5.786 168 2HH1 ARG 22 1HH1 ARG 22 -16.753 -12.406 6.403 169 1HH2 ARG 22 1HH2 ARG 22 -18.376 -10.304 4.130 170 2HH2 ARG 22 2HH2 ARG 22 -18.576 -11.394 5.461 171 H TRP 23 H TRP 23 -12.674 -9.427 0.490 172 HA TRP 23 HA TRP 23 -10.257 -8.358 1.729 173 1HB TRP 23 2HB TRP 23 -12.224 -7.263 -0.275 174 2HB TRP 23 1HB TRP 23 -11.035 -6.229 0.505 175 HD1 TRP 23 HD1 TRP 23 -11.453 -8.017 -2.568 176 HE1 TRP 23 HE1 TRP 23 -9.211 -8.593 -3.688 177 HE3 TRP 23 HE3 TRP 23 -8.351 -7.156 1.384 178 HZ2 TRP 23 HZ2 TRP 23 -6.479 -8.667 -2.981 179 HZ3 TRP 23 HZ3 TRP 23 -5.935 -7.497 1.082 180 HH2 TRP 23 HH2 TRP 23 -5.019 -8.235 -1.054 181 H LEU 24 H LEU 24 -10.501 -6.111 2.724 182 HA LEU 24 HA LEU 24 -12.987 -5.433 3.943 183 1HB LEU 24 2HB LEU 24 -11.140 -7.195 5.363 184 2HB LEU 24 1HB LEU 24 -11.547 -5.755 6.274 185 HG LEU 24 HG LEU 24 -13.531 -7.734 5.152 186 1HD1 LEU 24 1HD1 LEU 24 -13.590 -8.770 7.151 187 2HD1 LEU 24 2HD1 LEU 24 -13.283 -7.285 8.052 188 3HD1 LEU 24 3HD1 LEU 24 -11.946 -8.145 7.287 189 1HD2 LEU 24 1HD2 LEU 24 -13.867 -5.208 6.753 190 2HD2 LEU 24 2HD2 LEU 24 -15.117 -6.445 6.625 191 3HD2 LEU 24 3HD2 LEU 24 -14.562 -5.599 5.181 192 HA PRO 25 HA PRO 25 -11.050 -1.433 3.567 193 1HB PRO 25 2HB PRO 25 -12.682 -1.015 6.045 194 2HB PRO 25 1HB PRO 25 -12.504 0.028 4.629 195 1HG PRO 25 2HG PRO 25 -14.666 -1.518 4.953 196 2HG PRO 25 1HG PRO 25 -13.965 -1.225 3.353 197 1HD PRO 25 2HD PRO 25 -13.936 -3.677 4.996 198 2HD PRO 25 1HD PRO 25 -13.757 -3.491 3.243 199 H ALA 26 H ALA 26 -8.941 -1.459 4.115 200 HA ALA 26 HA ALA 26 -7.729 -2.484 6.347 201 1HB ALA 26 1HB ALA 26 -6.461 -1.785 4.420 202 2HB ALA 26 2HB ALA 26 -5.844 -0.968 5.855 203 3HB ALA 26 3HB ALA 26 -6.875 -0.098 4.720 204 H GLY 27 H GLY 27 -8.197 1.006 5.890 205 1HA GLY 27 2HA GLY 27 -7.671 1.724 8.543 206 2HA GLY 27 1HA GLY 27 -8.565 2.704 7.392 207 H THR 28 H THR 28 -10.617 3.124 7.861 208 HA THR 28 HA THR 28 -11.896 1.562 9.989 209 HB THR 28 HB THR 28 -13.197 4.035 9.025 210 HG1 THR 28 HG1 THR 28 -11.669 5.335 10.137 211 1HG2 THR 28 1HG2 THR 28 -14.120 3.923 11.023 212 2HG2 THR 28 2HG2 THR 28 -12.536 4.097 11.778 213 3HG2 THR 28 3HG2 THR 28 -13.157 2.492 11.392 214 H GLY 29 H GLY 29 -14.569 2.372 9.404 215 1HA GLY 29 2HA GLY 29 -15.252 0.344 7.503 216 2HA GLY 29 1HA GLY 29 -16.374 1.415 8.332 217 HA PRO 30 HA PRO 30 -17.148 4.123 4.940 218 1HB PRO 30 2HB PRO 30 -15.287 6.136 6.146 219 2HB PRO 30 1HB PRO 30 -16.917 6.365 5.498 220 1HG PRO 30 2HG PRO 30 -16.528 6.258 8.117 221 2HG PRO 30 1HG PRO 30 -17.931 5.456 7.386 222 1HD PRO 30 2HD PRO 30 -15.421 4.272 8.464 223 2HD PRO 30 1HD PRO 30 -17.067 3.609 8.448 224 H GLN 31 H GLN 31 -16.198 4.998 3.000 225 HA GLN 31 HA GLN 31 -13.316 4.692 2.689 226 1HB GLN 31 2HB GLN 31 -15.375 3.036 1.292 227 2HB GLN 31 1HB GLN 31 -13.906 3.476 0.436 228 1HG GLN 31 2HG GLN 31 -12.726 1.932 1.495 229 2HG GLN 31 1HG GLN 31 -13.300 2.477 3.070 230 1HE2 GLN 31 1HE2 GLN 31 -13.474 0.076 0.689 231 2HE2 GLN 31 2HE2 GLN 31 -14.727 -0.879 1.397 232 H ALA 32 H ALA 32 -12.543 5.505 0.603 233 HA ALA 32 HA ALA 32 -13.956 6.909 -1.287 234 1HB ALA 32 1HB ALA 32 -13.291 9.296 -0.289 235 2HB ALA 32 2HB ALA 32 -13.588 8.442 1.226 236 3HB ALA 32 3HB ALA 32 -14.861 8.549 0.010 237 H PHE 33 H PHE 33 -11.734 5.362 -1.261 238 HA PHE 33 HA PHE 33 -9.622 5.206 -2.085 239 1HB PHE 33 2HB PHE 33 -10.361 7.968 -3.010 240 2HB PHE 33 1HB PHE 33 -8.745 7.336 -3.277 241 HD1 PHE 33 HD1 PHE 33 -9.003 4.665 -4.060 242 HD2 PHE 33 HD2 PHE 33 -11.619 7.904 -4.930 243 HE1 PHE 33 HE1 PHE 33 -9.768 3.494 -6.077 244 HE2 PHE 33 HE2 PHE 33 -12.395 6.737 -6.953 245 HZ PHE 33 HZ PHE 33 -11.470 4.528 -7.531 246 H SER 34 H SER 34 -7.383 6.458 -1.999 247 HA SER 34 HA SER 34 -7.014 8.209 0.223 248 1HB SER 34 2HB SER 34 -6.316 5.289 0.563 249 2HB SER 34 1HB SER 34 -5.623 6.566 1.560 250 HG SER 34 HG SER 34 -7.386 6.542 2.683 251 H ARG 35 H ARG 35 -4.878 8.951 0.425 252 HA ARG 35 HA ARG 35 -3.263 8.474 -1.963 253 1HB ARG 35 2HB ARG 35 -3.891 10.811 -1.059 254 2HB ARG 35 1HB ARG 35 -2.668 10.513 0.169 255 1HG ARG 35 2HG ARG 35 -1.297 11.493 -1.304 256 2HG ARG 35 1HG ARG 35 -1.284 9.905 -2.071 257 1HD ARG 35 2HD ARG 35 -1.699 11.730 -3.675 258 2HD ARG 35 1HD ARG 35 -3.033 10.580 -3.593 259 HE ARG 35 HE ARG 35 -3.531 12.702 -1.820 260 1HH1 ARG 35 2HH1 ARG 35 -3.382 12.041 -5.243 261 2HH1 ARG 35 1HH1 ARG 35 -4.522 13.276 -5.658 262 1HH2 ARG 35 1HH2 ARG 35 -5.031 14.329 -2.365 263 2HH2 ARG 35 2HH2 ARG 35 -5.456 14.578 -4.026 264 H VAL 36 H VAL 36 -2.217 6.570 -1.591 265 HA VAL 36 HA VAL 36 -0.784 6.210 0.917 266 HB VAL 36 HB VAL 36 -1.002 4.283 -1.394 267 1HG1 VAL 36 1HG1 VAL 36 -0.468 2.630 0.440 268 2HG1 VAL 36 2HG1 VAL 36 -0.047 4.015 1.447 269 3HG1 VAL 36 3HG1 VAL 36 0.851 3.698 -0.037 270 1HG2 VAL 36 1HG2 VAL 36 -2.884 3.338 -0.446 271 2HG2 VAL 36 2HG2 VAL 36 -3.162 5.055 -0.155 272 3HG2 VAL 36 3HG2 VAL 36 -2.556 4.028 1.144 273 H GLN 37 H GLN 37 1.306 6.449 1.170 274 HA GLN 37 HA GLN 37 3.023 6.679 -1.209 275 1HB GLN 37 2HB GLN 37 2.953 8.396 1.264 276 2HB GLN 37 1HB GLN 37 4.356 8.337 0.207 277 1HG GLN 37 2HG GLN 37 2.818 8.993 -1.671 278 2HG GLN 37 1HG GLN 37 1.589 9.298 -0.448 279 1HE2 GLN 37 1HE2 GLN 37 4.388 10.463 -2.017 280 2HE2 GLN 37 2HE2 GLN 37 4.526 11.958 -1.167 281 H ILE 38 H ILE 38 5.161 5.899 -0.980 282 HA ILE 38 HA ILE 38 5.432 3.960 1.201 283 HB ILE 38 HB ILE 38 7.075 4.223 -1.323 284 1HG1 ILE 38 2HG1 ILE 38 4.842 2.302 -0.632 285 2HG1 ILE 38 1HG1 ILE 38 4.735 3.629 -1.785 286 1HG2 ILE 38 1HG2 ILE 38 6.953 1.980 0.694 287 2HG2 ILE 38 2HG2 ILE 38 8.261 3.153 0.554 288 3HG2 ILE 38 3HG2 ILE 38 7.944 2.025 -0.764 289 1HD1 ILE 38 1HD1 ILE 38 6.923 2.173 -2.639 290 2HD1 ILE 38 2HD1 ILE 38 5.303 2.157 -3.338 291 3HD1 ILE 38 3HD1 ILE 38 5.755 0.952 -2.131 292 H TYR 39 H TYR 39 7.339 3.833 2.453 293 HA TYR 39 HA TYR 39 8.823 6.372 2.547 294 1HB TYR 39 2HB TYR 39 7.860 4.513 4.668 295 2HB TYR 39 1HB TYR 39 9.314 5.460 4.967 296 HD1 TYR 39 HD1 TYR 39 6.008 6.143 3.362 297 HD2 TYR 39 HD2 TYR 39 8.889 7.307 6.261 298 HE1 TYR 39 HE1 TYR 39 4.626 8.088 3.937 299 HE2 TYR 39 HE2 TYR 39 7.524 9.261 6.848 300 HH TYR 39 HH TYR 39 5.128 9.942 6.713 301 H HIS 40 H HIS 40 10.880 6.349 2.055 302 HA HIS 40 HA HIS 40 12.276 3.782 1.891 303 1HB HIS 40 2HB HIS 40 12.280 5.016 -0.175 304 2HB HIS 40 1HB HIS 40 12.846 6.471 0.636 305 HD1 HIS 40 HD1 HIS 40 14.724 6.215 -1.343 306 HD2 HIS 40 HD2 HIS 40 14.896 3.510 1.808 307 HE1 HIS 40 HE1 HIS 40 17.039 5.237 -1.422 308 HE2 HIS 40 HE2 HIS 40 17.093 3.541 0.441 309 H ASN 41 H ASN 41 12.837 3.523 4.058 310 HA ASN 41 HA ASN 41 14.610 5.543 5.235 311 1HB ASN 41 2HB ASN 41 13.140 3.192 6.444 312 2HB ASN 41 1HB ASN 41 14.326 4.148 7.327 313 1HD2 ASN 41 1HD2 ASN 41 11.431 4.591 5.329 314 2HD2 ASN 41 2HD2 ASN 41 10.748 5.847 6.296 315 HA PRO 42 HA PRO 42 17.611 2.378 3.776 316 1HB PRO 42 2HB PRO 42 19.616 4.097 3.267 317 2HB PRO 42 1HB PRO 42 18.300 3.820 2.122 318 1HG PRO 42 2HG PRO 42 18.661 6.056 4.085 319 2HG PRO 42 1HG PRO 42 18.142 6.130 2.390 320 1HD PRO 42 2HD PRO 42 16.394 6.231 4.461 321 2HD PRO 42 1HD PRO 42 15.984 5.507 2.894 322 H THR 43 H THR 43 17.674 4.769 6.281 323 HA THR 43 HA THR 43 20.143 4.357 7.464 324 HB THR 43 HB THR 43 18.746 6.086 8.318 325 HG1 THR 43 HG1 THR 43 18.773 4.079 10.315 326 1HG2 THR 43 1HG2 THR 43 16.570 5.950 8.696 327 2HG2 THR 43 2HG2 THR 43 16.766 4.546 9.743 328 3HG2 THR 43 3HG2 THR 43 16.633 4.334 7.997 329 H ALA 44 H ALA 44 17.382 2.278 7.323 330 HA ALA 44 HA ALA 44 18.821 0.286 8.939 331 1HB ALA 44 1HB ALA 44 15.898 0.982 9.004 332 2HB ALA 44 2HB ALA 44 17.052 0.964 10.338 333 3HB ALA 44 3HB ALA 44 16.520 -0.553 9.612 334 H ASN 45 H ASN 45 17.972 1.011 5.918 335 HA ASN 45 HA ASN 45 17.594 -0.135 3.996 336 1HB ASN 45 2HB ASN 45 19.371 -1.696 5.568 337 2HB ASN 45 1HB ASN 45 18.248 -2.810 4.796 338 1HD2 ASN 45 1HD2 ASN 45 17.773 -1.367 2.431 339 2HD2 ASN 45 2HD2 ASN 45 19.226 -1.373 1.498 340 H SER 46 H SER 46 15.346 0.316 5.310 341 HA SER 46 HA SER 46 13.772 -2.093 4.758 342 1HB SER 46 2HB SER 46 13.282 -0.442 7.240 343 2HB SER 46 1HB SER 46 12.547 -1.986 6.805 344 HG SER 46 HG SER 46 14.414 -3.018 7.262 345 H PHE 47 H PHE 47 11.469 -1.649 4.467 346 HA PHE 47 HA PHE 47 10.907 1.156 3.779 347 1HB PHE 47 2HB PHE 47 10.359 -1.301 2.111 348 2HB PHE 47 1HB PHE 47 9.582 0.245 1.819 349 HD1 PHE 47 HD1 PHE 47 11.068 2.250 1.365 350 HD2 PHE 47 HD2 PHE 47 12.452 -1.762 1.210 351 HE1 PHE 47 HE1 PHE 47 12.978 2.973 -0.003 352 HE2 PHE 47 HE2 PHE 47 14.372 -1.053 -0.159 353 HZ PHE 47 HZ PHE 47 14.637 1.320 -0.765 354 H ARG 48 H ARG 48 8.558 1.605 3.570 355 HA ARG 48 HA ARG 48 6.684 -0.234 4.705 356 1HB ARG 48 2HB ARG 48 6.130 0.989 6.718 357 2HB ARG 48 1HB ARG 48 7.831 0.550 6.753 358 1HG ARG 48 2HG ARG 48 7.033 3.228 5.725 359 2HG ARG 48 1HG ARG 48 7.057 2.932 7.463 360 1HD ARG 48 2HD ARG 48 9.439 1.956 6.084 361 2HD ARG 48 1HD ARG 48 9.211 3.697 5.939 362 HE ARG 48 HE ARG 48 9.907 2.231 8.309 363 1HH1 ARG 48 2HH1 ARG 48 8.471 5.164 7.078 364 2HH1 ARG 48 1HH1 ARG 48 8.793 6.073 8.515 365 1HH2 ARG 48 1HH2 ARG 48 10.329 3.425 10.203 366 2HH2 ARG 48 2HH2 ARG 48 9.845 5.087 10.291 367 H VAL 49 H VAL 49 4.568 0.362 4.341 368 HA VAL 49 HA VAL 49 4.236 2.628 2.535 369 HB VAL 49 HB VAL 49 3.375 0.551 1.704 370 1HG1 VAL 49 1HG1 VAL 49 2.005 0.381 4.364 371 2HG1 VAL 49 2HG1 VAL 49 3.060 -0.796 3.581 372 3HG1 VAL 49 3HG1 VAL 49 1.427 -0.531 2.968 373 1HG2 VAL 49 1HG2 VAL 49 1.097 2.301 2.623 374 2HG2 VAL 49 2HG2 VAL 49 1.018 1.107 1.329 375 3HG2 VAL 49 3HG2 VAL 49 2.057 2.522 1.160 376 H VAL 50 H VAL 50 2.652 4.214 2.813 377 HA VAL 50 HA VAL 50 1.138 4.297 5.292 378 HB VAL 50 HB VAL 50 2.623 6.806 4.751 379 1HG1 VAL 50 1HG1 VAL 50 1.102 6.855 6.547 380 2HG1 VAL 50 2HG1 VAL 50 2.699 6.741 7.286 381 3HG1 VAL 50 3HG1 VAL 50 1.674 5.309 7.177 382 1HG2 VAL 50 1HG2 VAL 50 4.444 5.237 4.519 383 2HG2 VAL 50 2HG2 VAL 50 3.955 4.400 5.992 384 3HG2 VAL 50 3HG2 VAL 50 4.571 6.050 6.080 385 H GLY 51 H GLY 51 -0.858 4.804 4.661 386 1HA GLY 51 2HA GLY 51 -1.192 6.975 2.705 387 2HA GLY 51 1HA GLY 51 -1.994 5.439 2.423 388 H ARG 52 H ARG 52 -3.071 8.159 2.847 389 HA ARG 52 HA ARG 52 -4.890 7.487 5.055 390 1HB ARG 52 2HB ARG 52 -5.009 9.962 5.543 391 2HB ARG 52 1HB ARG 52 -3.496 9.179 5.976 392 1HG ARG 52 2HG ARG 52 -2.301 10.366 4.488 393 2HG ARG 52 1HG ARG 52 -3.582 10.338 3.276 394 1HD ARG 52 2HD ARG 52 -4.675 11.908 5.228 395 2HD ARG 52 1HD ARG 52 -2.967 12.337 5.326 396 HE ARG 52 HE ARG 52 -4.794 13.024 3.243 397 1HH1 ARG 52 2HH1 ARG 52 -1.440 12.335 3.923 398 2HH1 ARG 52 1HH1 ARG 52 -0.850 13.257 2.580 399 1HH2 ARG 52 1HH2 ARG 52 -4.019 14.234 1.476 400 2HH2 ARG 52 2HH2 ARG 52 -2.313 14.333 1.191 401 H LYS 53 H LYS 53 -6.984 8.650 4.918 402 HA LYS 53 HA LYS 53 -8.117 8.355 2.348 403 1HB LYS 53 2HB LYS 53 -9.051 8.760 4.995 404 2HB LYS 53 1HB LYS 53 -9.774 10.009 3.994 405 1HG LYS 53 2HG LYS 53 -11.305 8.518 3.410 406 2HG LYS 53 1HG LYS 53 -10.044 7.693 2.492 407 1HD LYS 53 2HD LYS 53 -9.475 6.430 4.577 408 2HD LYS 53 1HD LYS 53 -10.898 7.149 5.332 409 1HE LYS 53 2HE LYS 53 -11.324 4.884 4.445 410 2HE LYS 53 1HE LYS 53 -12.340 6.116 3.697 411 1HZ LYS 53 1HZ LYS 53 -10.988 6.095 1.758 412 2HZ LYS 53 2HZ LYS 53 -11.362 4.486 2.120 413 3HZ LYS 53 3HZ LYS 53 -9.829 5.100 2.486 414 H MET 54 H MET 54 -9.551 10.181 1.426 415 HA MET 54 HA MET 54 -7.883 12.598 1.214 416 1HB MET 54 2HB MET 54 -9.869 11.646 -0.845 417 2HB MET 54 1HB MET 54 -8.601 12.850 -1.042 418 1HG MET 54 2HG MET 54 -7.570 10.255 -0.238 419 2HG MET 54 1HG MET 54 -8.464 10.199 -1.756 420 1HE MET 54 1HE MET 54 -7.815 10.604 -3.697 421 2HE MET 54 2HE MET 54 -6.159 10.915 -4.222 422 3HE MET 54 3HE MET 54 -7.296 12.252 -4.056 423 H GLN 55 H GLN 55 -9.604 12.489 3.315 424 HA GLN 55 HA GLN 55 -11.617 14.484 2.544 425 1HB GLN 55 2HB GLN 55 -13.025 13.415 4.458 426 2HB GLN 55 1HB GLN 55 -13.034 12.678 2.863 427 1HG GLN 55 2HG GLN 55 -11.849 10.851 3.543 428 2HG GLN 55 1HG GLN 55 -11.037 11.724 4.842 429 1HE2 GLN 55 1HE2 GLN 55 -12.354 9.167 4.978 430 2HE2 GLN 55 2HE2 GLN 55 -13.627 9.321 6.136 431 HA PRO 56 HA PRO 56 -10.359 17.161 5.791 432 1HB PRO 56 2HB PRO 56 -13.038 16.776 7.054 433 2HB PRO 56 1HB PRO 56 -12.180 18.273 6.671 434 1HG PRO 56 2HG PRO 56 -14.191 17.446 5.142 435 2HG PRO 56 1HG PRO 56 -12.745 18.176 4.420 436 1HD PRO 56 2HD PRO 56 -13.584 15.318 4.507 437 2HD PRO 56 1HD PRO 56 -12.703 16.199 3.244 438 H ASP 57 H ASP 57 -11.896 14.142 6.678 439 HA ASP 57 HA ASP 57 -11.259 14.123 9.417 440 1HB ASP 57 2HB ASP 57 -12.020 12.082 7.393 441 2HB ASP 57 1HB ASP 57 -11.266 11.498 8.873 442 H GLN 58 H GLN 58 -9.528 12.780 6.617 443 HA GLN 58 HA GLN 58 -7.357 12.193 6.305 444 1HB GLN 58 2HB GLN 58 -7.276 14.410 8.216 445 2HB GLN 58 1HB GLN 58 -5.867 13.361 8.308 446 1HG GLN 58 2HG GLN 58 -5.007 14.376 6.549 447 2HG GLN 58 1HG GLN 58 -6.372 13.832 5.574 448 1HE2 GLN 58 1HE2 GLN 58 -6.305 15.724 4.343 449 2HE2 GLN 58 2HE2 GLN 58 -6.880 17.232 4.958 450 H GLN 59 H GLN 59 -7.782 10.016 6.829 451 HA GLN 59 HA GLN 59 -6.638 9.183 9.411 452 1HB GLN 59 2HB GLN 59 -8.242 7.342 9.507 453 2HB GLN 59 1HB GLN 59 -9.074 8.889 9.462 454 1HG GLN 59 2HG GLN 59 -9.310 8.526 6.965 455 2HG GLN 59 1HG GLN 59 -8.789 6.869 7.263 456 1HE2 GLN 59 1HE2 GLN 59 -10.395 5.499 7.409 457 2HE2 GLN 59 2HE2 GLN 59 -11.970 5.825 8.038 458 H VAL 60 H VAL 60 -5.107 7.617 9.304 459 HA VAL 60 HA VAL 60 -4.097 6.883 6.737 460 HB VAL 60 HB VAL 60 -2.349 5.715 7.886 461 1HG1 VAL 60 1HG1 VAL 60 -1.624 7.826 8.093 462 2HG1 VAL 60 2HG1 VAL 60 -1.992 7.609 9.803 463 3HG1 VAL 60 3HG1 VAL 60 -3.160 8.397 8.742 464 1HG2 VAL 60 1HG2 VAL 60 -3.030 4.452 9.619 465 2HG2 VAL 60 2HG2 VAL 60 -4.328 5.564 10.054 466 3HG2 VAL 60 3HG2 VAL 60 -2.675 5.892 10.573 467 H VAL 61 H VAL 61 -4.714 5.240 5.513 468 HA VAL 61 HA VAL 61 -6.409 3.167 6.670 469 HB VAL 61 HB VAL 61 -7.117 2.628 4.482 470 1HG1 VAL 61 1HG1 VAL 61 -7.800 4.887 5.461 471 2HG1 VAL 61 2HG1 VAL 61 -8.080 4.628 3.738 472 3HG1 VAL 61 3HG1 VAL 61 -6.704 5.594 4.272 473 1HG2 VAL 61 1HG2 VAL 61 -4.882 4.332 3.381 474 2HG2 VAL 61 2HG2 VAL 61 -6.073 3.426 2.446 475 3HG2 VAL 61 3HG2 VAL 61 -4.888 2.569 3.430 476 H ILE 62 H ILE 62 -3.186 3.626 5.578 477 HA ILE 62 HA ILE 62 -2.650 0.782 6.011 478 HB ILE 62 HB ILE 62 -2.808 1.224 3.540 479 1HG1 ILE 62 2HG1 ILE 62 0.029 0.514 4.130 480 2HG1 ILE 62 1HG1 ILE 62 -1.241 -0.475 4.840 481 1HG2 ILE 62 1HG2 ILE 62 -0.283 2.812 3.991 482 2HG2 ILE 62 2HG2 ILE 62 -1.857 3.496 3.579 483 3HG2 ILE 62 3HG2 ILE 62 -1.029 2.438 2.437 484 1HD1 ILE 62 1HD1 ILE 62 -0.958 -1.623 2.919 485 2HD1 ILE 62 2HD1 ILE 62 -0.385 -0.213 2.029 486 3HD1 ILE 62 3HD1 ILE 62 -2.110 -0.430 2.323 487 H ASN 63 H ASN 63 -0.779 0.375 7.080 488 HA ASN 63 HA ASN 63 1.352 2.277 7.239 489 1HB ASN 63 2HB ASN 63 1.172 2.707 9.659 490 2HB ASN 63 1HB ASN 63 -0.217 3.335 8.784 491 1HD2 ASN 63 1HD2 ASN 63 -2.218 2.355 9.028 492 2HD2 ASN 63 2HD2 ASN 63 -2.556 1.267 10.326 493 H CYS 64 H CYS 64 1.956 0.060 6.329 494 HA CYS 64 HA CYS 64 2.891 -1.649 8.540 495 1HB CYS 64 2HB CYS 64 1.098 -2.463 6.696 496 2HB CYS 64 1HB CYS 64 2.590 -2.862 5.853 497 HG CYS 64 HG CYS 64 1.490 -4.744 7.593 498 H ALA 65 H ALA 65 4.845 -2.974 7.913 499 HA ALA 65 HA ALA 65 6.673 -1.289 6.333 500 1HB ALA 65 1HB ALA 65 8.297 -1.590 7.867 501 2HB ALA 65 2HB ALA 65 7.816 -3.252 8.212 502 3HB ALA 65 3HB ALA 65 6.931 -1.909 8.935 503 H ILE 66 H ILE 66 7.941 -2.170 4.767 504 HA ILE 66 HA ILE 66 7.593 -5.047 4.218 505 HB ILE 66 HB ILE 66 8.123 -4.251 1.769 506 1HG1 ILE 66 2HG1 ILE 66 6.484 -1.880 2.488 507 2HG1 ILE 66 1HG1 ILE 66 8.205 -1.805 2.854 508 1HG2 ILE 66 1HG2 ILE 66 5.349 -3.725 2.784 509 2HG2 ILE 66 2HG2 ILE 66 6.034 -5.349 2.754 510 3HG2 ILE 66 3HG2 ILE 66 5.851 -4.442 1.253 511 1HD1 ILE 66 1HD1 ILE 66 6.871 -1.465 0.353 512 2HD1 ILE 66 2HD1 ILE 66 8.006 -2.811 0.249 513 3HD1 ILE 66 3HD1 ILE 66 8.571 -1.218 0.758 514 H VAL 67 H VAL 67 9.433 -6.168 4.262 515 HA VAL 67 HA VAL 67 11.908 -4.835 3.444 516 HB VAL 67 HB VAL 67 13.149 -5.882 5.293 517 1HG1 VAL 67 1HG1 VAL 67 11.873 -3.535 5.301 518 2HG1 VAL 67 2HG1 VAL 67 12.844 -4.098 6.661 519 3HG1 VAL 67 3HG1 VAL 67 11.090 -4.283 6.693 520 1HG2 VAL 67 1HG2 VAL 67 10.407 -6.782 6.076 521 2HG2 VAL 67 2HG2 VAL 67 11.640 -6.518 7.309 522 3HG2 VAL 67 3HG2 VAL 67 11.913 -7.697 6.027 523 H ARG 68 H ARG 68 12.569 -5.933 1.780 524 HA ARG 68 HA ARG 68 12.681 -7.708 0.266 525 1HB ARG 68 2HB ARG 68 14.609 -9.033 0.838 526 2HB ARG 68 1HB ARG 68 14.855 -7.394 1.426 527 1HG ARG 68 2HG ARG 68 13.677 -8.685 3.565 528 2HG ARG 68 1HG ARG 68 14.763 -9.895 2.882 529 1HD ARG 68 2HD ARG 68 16.259 -7.569 2.851 530 2HD ARG 68 1HD ARG 68 15.366 -7.473 4.368 531 HE ARG 68 HE ARG 68 16.768 -9.062 5.185 532 1HH1 ARG 68 2HH1 ARG 68 16.641 -9.427 1.716 533 2HH1 ARG 68 1HH1 ARG 68 17.792 -10.721 1.685 534 1HH2 ARG 68 1HH2 ARG 68 18.284 -10.762 5.145 535 2HH2 ARG 68 2HH2 ARG 68 18.726 -11.477 3.631 536 H GLY 69 H GLY 69 10.280 -8.146 1.475 537 1HA GLY 69 2HA GLY 69 10.249 -11.071 1.596 538 2HA GLY 69 1HA GLY 69 9.575 -10.200 2.961 539 H VAL 70 H VAL 70 8.594 -8.073 0.979 540 HA VAL 70 HA VAL 70 6.194 -9.575 0.201 541 HB VAL 70 HB VAL 70 6.642 -6.766 1.104 542 1HG1 VAL 70 1HG1 VAL 70 5.525 -6.031 -0.734 543 2HG1 VAL 70 2HG1 VAL 70 4.142 -6.494 0.260 544 3HG1 VAL 70 3HG1 VAL 70 4.724 -7.579 -1.003 545 1HG2 VAL 70 1HG2 VAL 70 5.173 -7.299 2.720 546 2HG2 VAL 70 2HG2 VAL 70 5.584 -8.954 2.273 547 3HG2 VAL 70 3HG2 VAL 70 4.128 -8.198 1.617 548 H LYS 71 H LYS 71 5.473 -9.595 -1.848 549 HA LYS 71 HA LYS 71 6.955 -8.042 -3.859 550 1HB LYS 71 2HB LYS 71 7.255 -10.735 -3.550 551 2HB LYS 71 1HB LYS 71 5.953 -10.673 -4.729 552 1HG LYS 71 2HG LYS 71 7.681 -8.873 -5.781 553 2HG LYS 71 1HG LYS 71 8.796 -10.004 -5.011 554 1HD LYS 71 2HD LYS 71 6.600 -10.767 -6.936 555 2HD LYS 71 1HD LYS 71 8.303 -10.594 -7.360 556 1HE LYS 71 2HE LYS 71 8.406 -12.793 -6.924 557 2HE LYS 71 1HE LYS 71 8.457 -12.280 -5.238 558 1HZ LYS 71 1HZ LYS 71 5.861 -12.714 -6.554 559 2HZ LYS 71 2HZ LYS 71 6.261 -12.826 -4.914 560 3HZ LYS 71 3HZ LYS 71 6.742 -14.042 -5.987 561 H TYR 72 H TYR 72 5.586 -6.677 -4.778 562 HA TYR 72 HA TYR 72 2.840 -6.657 -4.580 563 1HB TYR 72 2HB TYR 72 4.839 -5.343 -6.308 564 2HB TYR 72 1HB TYR 72 3.212 -5.396 -6.971 565 HD1 TYR 72 HD1 TYR 72 3.111 -2.925 -6.864 566 HD2 TYR 72 HD2 TYR 72 3.617 -5.290 -3.360 567 HE1 TYR 72 HE1 TYR 72 2.496 -0.990 -5.477 568 HE2 TYR 72 HE2 TYR 72 3.008 -3.369 -1.964 569 HH TYR 72 HH TYR 72 2.817 -0.198 -3.175 570 H ASN 73 H ASN 73 1.222 -7.759 -5.463 571 HA ASN 73 HA ASN 73 1.837 -9.746 -7.508 572 1HB ASN 73 2HB ASN 73 0.420 -10.021 -5.255 573 2HB ASN 73 1HB ASN 73 -0.887 -9.536 -6.331 574 1HD2 ASN 73 1HD2 ASN 73 -1.845 -11.570 -6.130 575 2HD2 ASN 73 2HD2 ASN 73 -1.214 -12.957 -6.944 576 H GLN 74 H GLN 74 -0.296 -6.995 -6.955 577 HA GLN 74 HA GLN 74 -1.532 -5.703 -8.363 578 1HB GLN 74 2HB GLN 74 0.858 -5.844 -9.511 579 2HB GLN 74 1HB GLN 74 -0.045 -6.713 -10.744 580 1HG GLN 74 2HG GLN 74 -1.492 -4.364 -10.060 581 2HG GLN 74 1HG GLN 74 0.189 -3.923 -10.365 582 1HE2 GLN 74 1HE2 GLN 74 -2.606 -5.576 -11.717 583 2HE2 GLN 74 2HE2 GLN 74 -2.172 -5.349 -13.374 584 H ALA 75 H ALA 75 -3.336 -7.135 -7.930 585 HA ALA 75 HA ALA 75 -4.026 -9.369 -9.442 586 1HB ALA 75 1HB ALA 75 -6.255 -7.638 -8.589 587 2HB ALA 75 2HB ALA 75 -5.125 -8.125 -7.325 588 3HB ALA 75 3HB ALA 75 -5.961 -9.350 -8.281 589 H THR 76 H THR 76 -4.989 -5.974 -9.926 590 HA THR 76 HA THR 76 -5.399 -6.582 -12.767 591 HB THR 76 HB THR 76 -7.516 -5.665 -12.876 592 HG1 THR 76 HG1 THR 76 -6.787 -4.215 -10.575 593 1HG2 THR 76 1HG2 THR 76 -7.796 -7.636 -11.539 594 2HG2 THR 76 2HG2 THR 76 -8.892 -6.379 -10.965 595 3HG2 THR 76 3HG2 THR 76 -7.415 -6.738 -10.070 596 HA PRO 77 HA PRO 77 -3.380 -2.851 -13.946 597 1HB PRO 77 2HB PRO 77 -5.956 -1.610 -14.787 598 2HB PRO 77 1HB PRO 77 -4.451 -1.800 -15.692 599 1HG PRO 77 2HG PRO 77 -6.539 -3.364 -16.204 600 2HG PRO 77 1HG PRO 77 -4.891 -4.020 -16.213 601 1HD PRO 77 2HD PRO 77 -7.032 -4.293 -14.150 602 2HD PRO 77 1HD PRO 77 -5.816 -5.474 -14.678 603 H ASN 78 H ASN 78 -6.256 -2.533 -11.994 604 HA ASN 78 HA ASN 78 -5.082 -0.145 -10.734 605 1HB ASN 78 2HB ASN 78 -7.347 0.707 -10.326 606 2HB ASN 78 1HB ASN 78 -7.051 0.497 -12.050 607 1HD2 ASN 78 1HD2 ASN 78 -9.378 0.258 -9.910 608 2HD2 ASN 78 2HD2 ASN 78 -10.272 -1.088 -10.521 609 H PHE 79 H PHE 79 -4.237 -2.308 -9.621 610 HA PHE 79 HA PHE 79 -5.362 -2.307 -7.018 611 1HB PHE 79 2HB PHE 79 -6.803 -3.920 -8.611 612 2HB PHE 79 1HB PHE 79 -5.540 -5.051 -8.138 613 HD1 PHE 79 HD1 PHE 79 -8.471 -3.210 -7.075 614 HD2 PHE 79 HD2 PHE 79 -5.235 -5.644 -5.766 615 HE1 PHE 79 HE1 PHE 79 -9.644 -3.621 -4.951 616 HE2 PHE 79 HE2 PHE 79 -6.403 -6.062 -3.641 617 HZ PHE 79 HZ PHE 79 -8.610 -5.049 -3.231 618 H HIS 80 H HIS 80 -3.977 -3.164 -5.510 619 HA HIS 80 HA HIS 80 -1.641 -4.653 -6.452 620 1HB HIS 80 2HB HIS 80 -1.644 -1.920 -5.355 621 2HB HIS 80 1HB HIS 80 -0.481 -3.011 -4.611 622 HD1 HIS 80 HD1 HIS 80 -0.260 -0.534 -6.887 623 HD2 HIS 80 HD2 HIS 80 0.627 -4.579 -7.207 624 HE1 HIS 80 HE1 HIS 80 1.355 -0.717 -8.802 625 HE2 HIS 80 HE2 HIS 80 1.965 -3.158 -8.904 626 H GLN 81 H GLN 81 -1.884 -6.500 -5.362 627 HA GLN 81 HA GLN 81 -2.477 -6.341 -2.480 628 1HB GLN 81 2HB GLN 81 -4.307 -7.462 -3.355 629 2HB GLN 81 1HB GLN 81 -3.361 -8.248 -4.608 630 1HG GLN 81 2HG GLN 81 -2.678 -9.018 -1.858 631 2HG GLN 81 1HG GLN 81 -4.293 -9.476 -2.394 632 1HE2 GLN 81 1HE2 GLN 81 -3.054 -11.590 -1.924 633 2HE2 GLN 81 2HE2 GLN 81 -2.319 -12.333 -3.297 634 H TRP 82 H TRP 82 -0.863 -6.903 -1.187 635 HA TRP 82 HA TRP 82 1.088 -8.884 -2.154 636 1HB TRP 82 2HB TRP 82 2.816 -7.698 -0.805 637 2HB TRP 82 1HB TRP 82 2.233 -6.773 -2.174 638 HD1 TRP 82 HD1 TRP 82 2.379 -6.755 1.613 639 HE1 TRP 82 HE1 TRP 82 1.585 -4.467 2.477 640 HE3 TRP 82 HE3 TRP 82 0.587 -4.809 -2.763 641 HZ2 TRP 82 HZ2 TRP 82 0.360 -2.148 1.447 642 HZ3 TRP 82 HZ3 TRP 82 -0.382 -2.546 -2.734 643 HH2 TRP 82 HH2 TRP 82 -0.491 -1.246 -0.671 644 H ARG 83 H ARG 83 1.925 -10.322 -0.662 645 HA ARG 83 HA ARG 83 0.427 -10.490 1.865 646 1HB ARG 83 2HB ARG 83 0.666 -12.385 -0.113 647 2HB ARG 83 1HB ARG 83 1.921 -12.875 1.017 648 1HG ARG 83 2HG ARG 83 0.444 -13.595 2.535 649 2HG ARG 83 1HG ARG 83 -0.636 -12.224 2.281 650 1HD ARG 83 2HD ARG 83 -1.731 -14.292 1.638 651 2HD ARG 83 1HD ARG 83 -1.466 -13.274 0.224 652 HE ARG 83 HE ARG 83 0.618 -15.205 0.679 653 1HH1 ARG 83 2HH1 ARG 83 -2.487 -14.634 -0.811 654 2HH1 ARG 83 1HH1 ARG 83 -2.293 -15.890 -1.987 655 1HH2 ARG 83 1HH2 ARG 83 0.874 -16.857 -0.867 656 2HH2 ARG 83 2HH2 ARG 83 -0.386 -17.153 -2.019 657 H ASP 84 H ASP 84 1.573 -9.808 3.555 658 HA ASP 84 HA ASP 84 4.477 -9.905 3.433 659 1HB ASP 84 2HB ASP 84 3.817 -7.792 4.112 660 2HB ASP 84 1HB ASP 84 2.497 -8.398 5.090 661 H ALA 85 H ALA 85 2.610 -10.163 6.409 662 HA ALA 85 HA ALA 85 4.191 -12.511 7.124 663 1HB ALA 85 1HB ALA 85 3.274 -12.134 9.400 664 2HB ALA 85 2HB ALA 85 2.392 -10.741 8.772 665 3HB ALA 85 3HB ALA 85 4.155 -10.746 8.758 666 H ARG 86 H ARG 86 0.816 -11.589 7.748 667 HA ARG 86 HA ARG 86 -0.059 -14.194 6.729 668 1HB ARG 86 2HB ARG 86 0.161 -14.592 9.089 669 2HB ARG 86 1HB ARG 86 -0.696 -13.106 9.473 670 1HG ARG 86 2HG ARG 86 -2.727 -14.035 9.157 671 2HG ARG 86 1HG ARG 86 -2.178 -15.040 7.815 672 1HD ARG 86 2HD ARG 86 -2.573 -16.638 9.416 673 2HD ARG 86 1HD ARG 86 -0.865 -16.304 9.695 674 HE ARG 86 HE ARG 86 -1.404 -15.428 11.742 675 1HH1 ARG 86 2HH1 ARG 86 -4.311 -15.722 9.835 676 2HH1 ARG 86 1HH1 ARG 86 -5.365 -15.329 11.152 677 1HH2 ARG 86 1HH2 ARG 86 -2.787 -14.913 13.476 678 2HH2 ARG 86 2HH2 ARG 86 -4.500 -14.870 13.219 679 H GLN 87 H GLN 87 -0.431 -10.897 6.768 680 HA GLN 87 HA GLN 87 -3.290 -11.048 6.125 681 1HB GLN 87 2HB GLN 87 -1.957 -9.309 7.792 682 2HB GLN 87 1HB GLN 87 -2.100 -8.377 6.308 683 1HG GLN 87 2HG GLN 87 -4.177 -7.870 6.853 684 2HG GLN 87 1HG GLN 87 -4.606 -9.577 6.752 685 1HE2 GLN 87 1HE2 GLN 87 -2.515 -7.889 9.043 686 2HE2 GLN 87 2HE2 GLN 87 -3.426 -8.302 10.450 687 H VAL 88 H VAL 88 -3.847 -9.159 4.507 688 HA VAL 88 HA VAL 88 -1.882 -9.056 2.344 689 HB VAL 88 HB VAL 88 -4.674 -9.560 1.482 690 1HG1 VAL 88 1HG1 VAL 88 -2.441 -9.161 0.129 691 2HG1 VAL 88 2HG1 VAL 88 -3.700 -10.245 -0.463 692 3HG1 VAL 88 3HG1 VAL 88 -2.280 -10.904 0.351 693 1HG2 VAL 88 1HG2 VAL 88 -2.899 -11.834 2.364 694 2HG2 VAL 88 2HG2 VAL 88 -4.512 -11.953 1.662 695 3HG2 VAL 88 3HG2 VAL 88 -4.299 -11.255 3.266 696 H TRP 89 H TRP 89 -1.703 -7.061 1.607 697 HA TRP 89 HA TRP 89 -3.808 -5.132 2.268 698 1HB TRP 89 2HB TRP 89 -0.899 -4.805 1.557 699 2HB TRP 89 1HB TRP 89 -2.002 -3.444 1.719 700 HD1 TRP 89 HD1 TRP 89 -0.181 -6.101 3.791 701 HE1 TRP 89 HE1 TRP 89 -0.250 -5.398 6.268 702 HE3 TRP 89 HE3 TRP 89 -3.348 -2.104 3.417 703 HZ2 TRP 89 HZ2 TRP 89 -1.484 -3.412 7.853 704 HZ3 TRP 89 HZ3 TRP 89 -3.920 -0.856 5.458 705 HH2 TRP 89 HH2 TRP 89 -3.010 -1.497 7.629 706 H GLY 90 H GLY 90 -5.215 -5.684 0.548 707 1HA GLY 90 2HA GLY 90 -4.236 -5.190 -2.167 708 2HA GLY 90 1HA GLY 90 -5.756 -5.946 -1.756 709 H LEU 91 H LEU 91 -4.091 -3.001 -2.369 710 HA LEU 91 HA LEU 91 -6.430 -1.430 -1.647 711 1HB LEU 91 2HB LEU 91 -5.096 0.457 -1.736 712 2HB LEU 91 1HB LEU 91 -4.025 -0.775 -1.107 713 HG LEU 91 HG LEU 91 -3.959 -0.337 -4.039 714 1HD1 LEU 91 1HD1 LEU 91 -4.028 1.895 -2.538 715 2HD1 LEU 91 2HD1 LEU 91 -3.114 1.742 -4.037 716 3HD1 LEU 91 3HD1 LEU 91 -2.304 1.525 -2.485 717 1HD2 LEU 91 1HD2 LEU 91 -1.560 -0.668 -3.650 718 2HD2 LEU 91 2HD2 LEU 91 -2.518 -1.989 -2.982 719 3HD2 LEU 91 3HD2 LEU 91 -1.861 -0.750 -1.915 720 H ASN 92 H ASN 92 -7.814 -0.561 -3.020 721 HA ASN 92 HA ASN 92 -7.532 -1.237 -5.853 722 1HB ASN 92 2HB ASN 92 -9.670 -1.588 -4.382 723 2HB ASN 92 1HB ASN 92 -9.944 0.123 -4.698 724 1HD2 ASN 92 1HD2 ASN 92 -9.405 0.588 -7.195 725 2HD2 ASN 92 2HD2 ASN 92 -10.284 -0.438 -8.269 726 H PHE 93 H PHE 93 -7.048 0.212 -7.378 727 HA PHE 93 HA PHE 93 -6.716 2.996 -6.562 728 1HB PHE 93 2HB PHE 93 -5.770 1.637 -9.090 729 2HB PHE 93 1HB PHE 93 -5.302 3.231 -8.509 730 HD1 PHE 93 HD1 PHE 93 -5.281 -0.336 -7.452 731 HD2 PHE 93 HD2 PHE 93 -3.338 3.446 -7.290 732 HE1 PHE 93 HE1 PHE 93 -3.428 -1.342 -6.202 733 HE2 PHE 93 HE2 PHE 93 -1.485 2.437 -6.038 734 HZ PHE 93 HZ PHE 93 -1.525 0.041 -5.493 735 H GLY 94 H GLY 94 -7.190 4.684 -8.209 736 1HA GLY 94 2HA GLY 94 -9.846 4.129 -9.363 737 2HA GLY 94 1HA GLY 94 -9.266 5.712 -8.870 738 H SER 95 H SER 95 -6.703 5.535 -10.147 739 HA SER 95 HA SER 95 -7.538 5.577 -12.975 740 1HB SER 95 2HB SER 95 -6.071 7.572 -11.344 741 2HB SER 95 1HB SER 95 -5.472 7.312 -12.982 742 HG SER 95 HG SER 95 -7.116 8.391 -13.692 743 H LYS 96 H LYS 96 -5.787 5.251 -14.537 744 HA LYS 96 HA LYS 96 -4.314 2.923 -13.988 745 1HB LYS 96 2HB LYS 96 -4.334 4.914 -16.226 746 2HB LYS 96 1HB LYS 96 -3.078 3.686 -16.172 747 1HG LYS 96 2HG LYS 96 -4.495 2.016 -16.713 748 2HG LYS 96 1HG LYS 96 -5.845 2.728 -15.828 749 1HD LYS 96 2HD LYS 96 -6.265 2.725 -18.238 750 2HD LYS 96 1HD LYS 96 -6.156 4.371 -17.609 751 1HE LYS 96 2HE LYS 96 -3.848 4.522 -18.397 752 2HE LYS 96 1HE LYS 96 -3.944 2.871 -19.009 753 1HZ LYS 96 1HZ LYS 96 -5.126 3.510 -20.795 754 2HZ LYS 96 2HZ LYS 96 -4.432 5.022 -20.494 755 3HZ LYS 96 3HZ LYS 96 -6.000 4.689 -19.954 756 H GLU 97 H GLU 97 -3.333 6.323 -14.194 757 HA GLU 97 HA GLU 97 -0.585 5.968 -13.856 758 1HB GLU 97 2HB GLU 97 -2.498 8.202 -13.475 759 2HB GLU 97 1HB GLU 97 -0.945 8.355 -12.664 760 1HG GLU 97 2HG GLU 97 -0.059 7.658 -15.067 761 2HG GLU 97 1HG GLU 97 -1.595 8.379 -15.551 762 H ASP 98 H ASP 98 -3.191 6.097 -11.505 763 HA ASP 98 HA ASP 98 -1.673 6.389 -9.173 764 1HB ASP 98 2HB ASP 98 -4.209 4.764 -9.453 765 2HB ASP 98 1HB ASP 98 -3.591 5.519 -7.988 766 H ALA 99 H ALA 99 -3.118 3.355 -10.349 767 HA ALA 99 HA ALA 99 -1.655 1.646 -8.714 768 1HB ALA 99 1HB ALA 99 -2.569 -0.096 -9.923 769 2HB ALA 99 2HB ALA 99 -2.502 0.789 -11.448 770 3HB ALA 99 3HB ALA 99 -3.714 1.210 -10.235 771 H ALA 100 H ALA 100 -0.796 3.149 -11.754 772 HA ALA 100 HA ALA 100 1.465 1.465 -12.266 773 1HB ALA 100 1HB ALA 100 0.120 2.874 -13.945 774 2HB ALA 100 2HB ALA 100 1.871 2.802 -14.131 775 3HB ALA 100 3HB ALA 100 1.121 4.219 -13.399 776 H GLN 101 H GLN 101 0.996 4.682 -10.871 777 HA GLN 101 HA GLN 101 3.742 5.254 -10.487 778 1HB GLN 101 2HB GLN 101 1.695 6.844 -10.467 779 2HB GLN 101 1HB GLN 101 1.540 6.379 -8.782 780 1HG GLN 101 2HG GLN 101 2.760 8.486 -9.085 781 2HG GLN 101 1HG GLN 101 3.722 7.247 -8.282 782 1HE2 GLN 101 1HE2 GLN 101 5.281 6.090 -9.580 783 2HE2 GLN 101 2HE2 GLN 101 6.040 6.892 -10.911 784 H PHE 102 H PHE 102 1.231 3.925 -8.400 785 HA PHE 102 HA PHE 102 2.563 3.827 -5.996 786 1HB PHE 102 2HB PHE 102 0.140 3.139 -6.669 787 2HB PHE 102 1HB PHE 102 0.824 1.538 -6.847 788 HD1 PHE 102 HD1 PHE 102 0.353 0.177 -5.057 789 HD2 PHE 102 HD2 PHE 102 1.194 4.297 -4.377 790 HE1 PHE 102 HE1 PHE 102 0.106 -0.171 -2.633 791 HE2 PHE 102 HE2 PHE 102 0.948 3.955 -1.960 792 HZ PHE 102 HZ PHE 102 0.405 1.717 -1.079 793 H ALA 103 H ALA 103 2.459 1.226 -8.444 794 HA ALA 103 HA ALA 103 4.247 -0.498 -7.139 795 1HB ALA 103 1HB ALA 103 4.644 -1.016 -9.806 796 2HB ALA 103 2HB ALA 103 3.037 -0.293 -9.781 797 3HB ALA 103 3HB ALA 103 3.378 -1.717 -8.799 798 H ALA 104 H ALA 104 4.750 2.307 -9.126 799 HA ALA 104 HA ALA 104 7.326 2.025 -10.031 800 1HB ALA 104 1HB ALA 104 5.672 3.981 -10.306 801 2HB ALA 104 2HB ALA 104 7.399 4.340 -10.277 802 3HB ALA 104 3HB ALA 104 6.416 4.622 -8.839 803 H GLY 105 H GLY 105 6.489 3.722 -7.010 804 1HA GLY 105 2HA GLY 105 9.151 3.749 -6.033 805 2HA GLY 105 1HA GLY 105 7.708 4.034 -5.077 806 H MET 106 H MET 106 6.369 1.743 -5.129 807 HA MET 106 HA MET 106 7.487 0.177 -3.189 808 1HB MET 106 2HB MET 106 5.152 -0.010 -3.781 809 2HB MET 106 1HB MET 106 5.566 -0.631 -5.375 810 1HG MET 106 2HG MET 106 4.990 -2.535 -4.229 811 2HG MET 106 1HG MET 106 6.740 -2.520 -4.076 812 1HE MET 106 1HE MET 106 6.153 -4.297 -2.620 813 2HE MET 106 2HE MET 106 4.772 -4.201 -1.527 814 3HE MET 106 3HE MET 106 6.410 -4.027 -0.895 815 H ALA 107 H ALA 107 7.325 -0.740 -6.622 816 HA ALA 107 HA ALA 107 8.852 -2.993 -6.629 817 1HB ALA 107 1HB ALA 107 9.252 -0.938 -8.776 818 2HB ALA 107 2HB ALA 107 7.711 -1.776 -8.590 819 3HB ALA 107 3HB ALA 107 9.181 -2.695 -8.919 820 H SER 108 H SER 108 9.966 0.339 -6.473 821 HA SER 108 HA SER 108 12.731 -0.196 -6.774 822 1HB SER 108 2HB SER 108 11.467 2.072 -6.898 823 2HB SER 108 1HB SER 108 11.663 2.099 -5.146 824 HG SER 108 HG SER 108 13.672 2.625 -5.419 825 H ALA 109 H ALA 109 10.573 -0.007 -3.982 826 HA ALA 109 HA ALA 109 12.541 -0.225 -1.966 827 1HB ALA 109 1HB ALA 109 10.639 0.318 -0.905 828 2HB ALA 109 2HB ALA 109 10.345 -1.422 -0.860 829 3HB ALA 109 3HB ALA 109 9.626 -0.436 -2.134 830 H LEU 110 H LEU 110 10.411 -2.713 -3.335 831 HA LEU 110 HA LEU 110 11.547 -4.895 -2.009 832 1HB LEU 110 2HB LEU 110 10.393 -5.176 -4.756 833 2HB LEU 110 1HB LEU 110 10.261 -6.261 -3.387 834 HG LEU 110 HG LEU 110 8.910 -3.564 -3.481 835 1HD1 LEU 110 1HD1 LEU 110 8.298 -5.617 -5.159 836 2HD1 LEU 110 2HD1 LEU 110 7.168 -4.381 -4.606 837 3HD1 LEU 110 3HD1 LEU 110 7.242 -5.940 -3.783 838 1HD2 LEU 110 1HD2 LEU 110 7.574 -5.465 -1.869 839 2HD2 LEU 110 2HD2 LEU 110 8.397 -3.989 -1.368 840 3HD2 LEU 110 3HD2 LEU 110 9.284 -5.512 -1.438 841 H GLU 111 H GLU 111 12.798 -3.033 -4.592 842 HA GLU 111 HA GLU 111 14.538 -5.167 -5.546 843 1HB GLU 111 2HB GLU 111 13.522 -2.681 -6.607 844 2HB GLU 111 1HB GLU 111 15.270 -2.762 -6.781 845 1HG GLU 111 2HG GLU 111 15.079 -4.887 -7.915 846 2HG GLU 111 1HG GLU 111 13.330 -4.856 -7.708 847 H ALA 112 H ALA 112 14.663 -2.308 -3.583 848 HA ALA 112 HA ALA 112 17.586 -2.409 -3.442 849 1HB ALA 112 1HB ALA 112 16.850 -0.399 -1.747 850 2HB ALA 112 2HB ALA 112 15.555 -0.360 -2.945 851 3HB ALA 112 3HB ALA 112 17.233 -0.193 -3.458 852 H LEU 113 H LEU 113 15.119 -3.957 -2.039 853 HA LEU 113 HA LEU 113 16.366 -4.026 0.617 854 1HB LEU 113 2HB LEU 113 13.694 -3.730 -0.244 855 2HB LEU 113 1HB LEU 113 13.805 -5.305 0.489 856 HG LEU 113 HG LEU 113 13.105 -3.354 1.978 857 1HD1 LEU 113 1HD1 LEU 113 13.786 -4.551 3.763 858 2HD1 LEU 113 2HD1 LEU 113 15.478 -4.523 3.267 859 3HD1 LEU 113 3HD1 LEU 113 14.367 -5.687 2.546 860 1HD2 LEU 113 1HD2 LEU 113 14.460 -1.622 2.320 861 2HD2 LEU 113 2HD2 LEU 113 15.417 -2.212 0.962 862 3HD2 LEU 113 3HD2 LEU 113 15.850 -2.669 2.607 863 H GLU 114 H GLU 114 15.157 -5.945 -2.072 864 HA GLU 114 HA GLU 114 15.939 -8.446 -0.828 865 1HB GLU 114 2HB GLU 114 14.642 -7.693 -3.429 866 2HB GLU 114 1HB GLU 114 15.303 -9.306 -3.203 867 1HG GLU 114 2HG GLU 114 13.771 -8.842 -0.930 868 2HG GLU 114 1HG GLU 114 12.824 -8.178 -2.260 869 H GLY 115 HN GLY 115 17.134 -6.188 -3.226 870 1HA GLY 115 2HA GLY 115 19.776 -6.675 -3.055 871 2HA GLY 115 1HA GLY 115 19.240 -7.976 -4.108 Start of MODEL 2 1 1H MET 1 1H MET 1 9.959 8.267 13.650 2 2H MET 1 2H MET 1 10.840 8.529 15.099 3 3H MET 1 3H MET 1 11.635 8.618 13.581 4 HA MET 1 HA MET 1 9.690 10.465 14.763 5 1HB MET 1 2HB MET 1 12.556 10.500 13.894 6 2HB MET 1 1HB MET 1 11.637 11.999 13.885 7 1HG MET 1 2HG MET 1 12.039 10.211 16.272 8 2HG MET 1 1HG MET 1 12.918 11.705 15.947 9 1HE MET 1 1HE MET 1 10.377 9.978 17.618 10 2HE MET 1 2HE MET 1 9.178 11.134 18.199 11 3HE MET 1 3HE MET 1 10.826 11.182 18.826 12 H SER 2 H SER 2 11.677 10.202 11.810 13 HA SER 2 HA SER 2 9.403 10.423 10.084 14 1HB SER 2 2HB SER 2 10.171 12.828 11.061 15 2HB SER 2 1HB SER 2 11.217 12.721 9.645 16 HG SER 2 HG SER 2 8.545 13.175 9.789 17 H GLU 3 H GLU 3 9.868 9.775 8.030 18 HA GLU 3 HA GLU 3 12.706 9.338 7.375 19 1HB GLU 3 2HB GLU 3 10.405 7.447 7.284 20 2HB GLU 3 1HB GLU 3 11.624 7.319 6.025 21 1HG GLU 3 2HG GLU 3 12.904 6.153 7.395 22 2HG GLU 3 1HG GLU 3 12.988 7.533 8.486 23 H THR 4 H THR 4 12.665 8.556 4.859 24 HA THR 4 HA THR 4 11.553 10.866 3.463 25 HB THR 4 HB THR 4 13.596 8.797 2.638 26 HG1 THR 4 HG1 THR 4 14.509 10.224 4.026 27 1HG2 THR 4 1HG2 THR 4 12.235 10.870 1.048 28 2HG2 THR 4 2HG2 THR 4 12.992 9.358 0.545 29 3HG2 THR 4 3HG2 THR 4 13.989 10.774 0.884 30 H VAL 5 H VAL 5 10.090 10.753 1.822 31 HA VAL 5 HA VAL 5 8.621 8.262 1.568 32 HB VAL 5 HB VAL 5 8.080 11.057 0.568 33 1HG1 VAL 5 1HG1 VAL 5 5.891 10.187 -0.216 34 2HG1 VAL 5 2HG1 VAL 5 6.486 8.550 0.054 35 3HG1 VAL 5 3HG1 VAL 5 7.261 9.584 -1.147 36 1HG2 VAL 5 1HG2 VAL 5 7.645 9.950 3.015 37 2HG2 VAL 5 2HG2 VAL 5 6.107 9.638 2.207 38 3HG2 VAL 5 3HG2 VAL 5 6.717 11.288 2.337 39 H ILE 6 H ILE 6 7.997 7.433 -0.578 40 HA ILE 6 HA ILE 6 10.191 7.805 -2.507 41 HB ILE 6 HB ILE 6 8.461 5.390 -2.642 42 1HG1 ILE 6 2HG1 ILE 6 10.380 6.027 -0.442 43 2HG1 ILE 6 1HG1 ILE 6 8.870 5.139 -0.381 44 1HG2 ILE 6 1HG2 ILE 6 10.242 4.462 -3.746 45 2HG2 ILE 6 2HG2 ILE 6 11.427 5.464 -2.904 46 3HG2 ILE 6 3HG2 ILE 6 10.424 6.163 -4.180 47 1HD1 ILE 6 1HD1 ILE 6 9.883 3.187 -1.270 48 2HD1 ILE 6 2HD1 ILE 6 10.910 3.783 0.033 49 3HD1 ILE 6 3HD1 ILE 6 11.370 4.059 -1.644 50 H CYS 7 H CYS 7 6.870 6.503 -2.709 51 HA CYS 7 HA CYS 7 6.426 8.303 -4.996 52 1HB CYS 7 2HB CYS 7 6.497 5.446 -4.977 53 2HB CYS 7 1HB CYS 7 4.859 5.963 -5.352 54 HG CYS 7 HG CYS 7 6.017 5.886 -7.602 55 H SER 8 H SER 8 3.914 8.031 -5.611 56 HA SER 8 HA SER 8 2.193 7.928 -3.284 57 1HB SER 8 2HB SER 8 1.695 10.463 -4.594 58 2HB SER 8 1HB SER 8 1.971 10.129 -2.888 59 HG SER 8 HG SER 8 3.800 10.836 -4.887 60 H SER 9 H SER 9 0.364 6.968 -3.928 61 HA SER 9 HA SER 9 -0.681 7.609 -6.600 62 1HB SER 9 2HB SER 9 0.531 5.424 -6.643 63 2HB SER 9 1HB SER 9 -0.615 4.819 -5.447 64 HG SER 9 HG SER 9 -2.136 4.716 -6.930 65 H ARG 10 H ARG 10 -2.956 7.210 -6.876 66 HA ARG 10 HA ARG 10 -4.447 7.563 -4.375 67 1HB ARG 10 2HB ARG 10 -4.658 9.188 -6.326 68 2HB ARG 10 1HB ARG 10 -5.492 7.904 -7.189 69 1HG ARG 10 2HG ARG 10 -7.299 7.923 -5.686 70 2HG ARG 10 1HG ARG 10 -6.407 8.881 -4.503 71 1HD ARG 10 2HD ARG 10 -8.153 10.119 -5.846 72 2HD ARG 10 1HD ARG 10 -6.538 10.826 -5.833 73 HE ARG 10 HE ARG 10 -7.039 9.070 -8.061 74 1HH1 ARG 10 2HH1 ARG 10 -7.282 12.343 -6.870 75 2HH1 ARG 10 1HH1 ARG 10 -7.297 13.049 -8.450 76 1HH2 ARG 10 1HH2 ARG 10 -7.061 9.998 -10.139 77 2HH2 ARG 10 2HH2 ARG 10 -7.176 11.718 -10.307 78 H ALA 11 H ALA 11 -5.763 6.016 -3.601 79 HA ALA 11 HA ALA 11 -7.156 4.145 -5.201 80 1HB ALA 11 1HB ALA 11 -4.953 3.181 -5.547 81 2HB ALA 11 2HB ALA 11 -5.944 2.098 -4.570 82 3HB ALA 11 3HB ALA 11 -4.700 3.085 -3.806 83 H THR 12 H THR 12 -7.840 2.180 -3.688 84 HA THR 12 HA THR 12 -8.590 3.359 -1.095 85 HB THR 12 HB THR 12 -10.113 1.215 -2.578 86 HG1 THR 12 HG1 THR 12 -10.772 3.963 -2.532 87 1HG2 THR 12 1HG2 THR 12 -10.528 2.687 -0.078 88 2HG2 THR 12 2HG2 THR 12 -11.135 1.113 -0.593 89 3HG2 THR 12 3HG2 THR 12 -11.933 2.588 -1.140 90 H VAL 13 H VAL 13 -6.862 2.535 0.076 91 HA VAL 13 HA VAL 13 -5.720 0.057 -0.034 92 HB VAL 13 HB VAL 13 -6.249 1.693 2.446 93 1HG1 VAL 13 1HG1 VAL 13 -4.429 0.448 3.480 94 2HG1 VAL 13 2HG1 VAL 13 -4.266 -0.546 2.032 95 3HG1 VAL 13 3HG1 VAL 13 -5.732 -0.641 3.008 96 1HG2 VAL 13 1HG2 VAL 13 -4.979 2.937 0.837 97 2HG2 VAL 13 2HG2 VAL 13 -3.914 1.561 0.542 98 3HG2 VAL 13 3HG2 VAL 13 -3.875 2.389 2.098 99 H MET 14 H MET 14 -6.059 -1.928 0.827 100 HA MET 14 HA MET 14 -8.581 -2.437 2.222 101 1HB MET 14 2HB MET 14 -8.703 -2.788 -0.353 102 2HB MET 14 1HB MET 14 -7.726 -4.208 -0.057 103 1HG MET 14 2HG MET 14 -9.488 -5.369 0.618 104 2HG MET 14 1HG MET 14 -9.963 -4.110 1.753 105 1HE MET 14 1HE MET 14 -13.284 -3.309 0.403 106 2HE MET 14 2HE MET 14 -12.051 -2.800 1.556 107 3HE MET 14 3HE MET 14 -12.534 -4.494 1.471 108 H LEU 15 H LEU 15 -8.649 -4.582 3.234 109 HA LEU 15 HA LEU 15 -5.983 -5.734 3.702 110 1HB LEU 15 2HB LEU 15 -7.784 -4.474 5.619 111 2HB LEU 15 1HB LEU 15 -7.351 -6.103 6.089 112 HG LEU 15 HG LEU 15 -5.548 -3.727 5.724 113 1HD1 LEU 15 1HD1 LEU 15 -6.794 -4.504 7.912 114 2HD1 LEU 15 2HD1 LEU 15 -5.137 -3.901 7.960 115 3HD1 LEU 15 3HD1 LEU 15 -5.445 -5.637 7.997 116 1HD2 LEU 15 1HD2 LEU 15 -4.857 -6.635 5.618 117 2HD2 LEU 15 2HD2 LEU 15 -3.719 -5.464 6.286 118 3HD2 LEU 15 3HD2 LEU 15 -4.269 -5.308 4.617 119 H TYR 16 H TYR 16 -6.042 -7.750 2.956 120 HA TYR 16 HA TYR 16 -8.490 -9.198 2.666 121 1HB TYR 16 2HB TYR 16 -6.330 -9.327 1.224 122 2HB TYR 16 1HB TYR 16 -5.787 -10.472 2.443 123 HD1 TYR 16 HD1 TYR 16 -6.776 -12.661 2.622 124 HD2 TYR 16 HD2 TYR 16 -8.217 -9.861 -0.237 125 HE1 TYR 16 HE1 TYR 16 -8.007 -14.464 1.493 126 HE2 TYR 16 HE2 TYR 16 -9.454 -11.649 -1.380 127 HH TYR 16 HH TYR 16 -10.205 -14.480 -0.095 128 H ASP 17 H ASP 17 -9.176 -11.030 3.702 129 HA ASP 17 HA ASP 17 -7.809 -11.694 6.227 130 1HB ASP 17 2HB ASP 17 -10.283 -10.527 6.047 131 2HB ASP 17 1HB ASP 17 -10.702 -12.235 6.118 132 H ASP 18 H ASP 18 -6.694 -13.329 4.981 133 HA ASP 18 HA ASP 18 -7.799 -15.309 3.432 134 1HB ASP 18 2HB ASP 18 -5.359 -15.052 5.065 135 2HB ASP 18 1HB ASP 18 -5.847 -16.705 4.708 136 H GLY 19 H GLY 19 -8.014 -14.926 6.876 137 1HA GLY 19 2HA GLY 19 -8.579 -17.518 7.709 138 2HA GLY 19 1HA GLY 19 -9.242 -16.067 8.449 139 H ASN 20 H ASN 20 -10.586 -15.241 5.983 140 HA ASN 20 HA ASN 20 -12.666 -17.312 5.786 141 1HB ASN 20 2HB ASN 20 -13.039 -14.354 6.258 142 2HB ASN 20 1HB ASN 20 -14.336 -15.403 5.694 143 1HD2 ASN 20 1HD2 ASN 20 -12.623 -14.248 8.368 144 2HD2 ASN 20 2HD2 ASN 20 -13.355 -15.244 9.576 145 H LYS 21 H LYS 21 -10.381 -15.769 4.114 146 HA LYS 21 HA LYS 21 -9.995 -15.292 1.928 147 1HB LYS 21 2HB LYS 21 -11.141 -17.674 1.926 148 2HB LYS 21 1HB LYS 21 -12.434 -16.806 1.110 149 1HG LYS 21 2HG LYS 21 -11.219 -16.487 -0.779 150 2HG LYS 21 1HG LYS 21 -9.685 -16.404 0.089 151 1HD LYS 21 2HD LYS 21 -11.228 -18.971 -0.131 152 2HD LYS 21 1HD LYS 21 -10.120 -18.450 -1.401 153 1HE LYS 21 2HE LYS 21 -8.678 -19.690 -0.146 154 2HE LYS 21 1HE LYS 21 -8.491 -18.133 0.662 155 1HZ LYS 21 1HZ LYS 21 -8.980 -20.330 1.995 156 2HZ LYS 21 2HZ LYS 21 -10.584 -19.930 1.634 157 3HZ LYS 21 3HZ LYS 21 -9.614 -18.840 2.489 158 H ARG 22 H ARG 22 -10.513 -13.069 2.228 159 HA ARG 22 HA ARG 22 -12.226 -11.965 0.363 160 1HB ARG 22 2HB ARG 22 -13.988 -11.003 1.926 161 2HB ARG 22 1HB ARG 22 -14.147 -12.707 1.526 162 1HG ARG 22 2HG ARG 22 -14.104 -13.249 3.669 163 2HG ARG 22 1HG ARG 22 -12.538 -12.458 3.868 164 1HD ARG 22 2HD ARG 22 -13.785 -10.284 4.082 165 2HD ARG 22 1HD ARG 22 -15.275 -11.225 4.139 166 HE ARG 22 HE ARG 22 -13.533 -12.240 6.072 167 1HH1 ARG 22 2HH1 ARG 22 -15.332 -9.321 5.420 168 2HH1 ARG 22 1HH1 ARG 22 -15.512 -8.910 7.092 169 1HH2 ARG 22 1HH2 ARG 22 -13.770 -11.702 8.271 170 2HH2 ARG 22 2HH2 ARG 22 -14.624 -10.261 8.712 171 H TRP 23 H TRP 23 -12.342 -9.630 0.479 172 HA TRP 23 HA TRP 23 -10.008 -8.498 1.693 173 1HB TRP 23 2HB TRP 23 -12.221 -7.453 -0.037 174 2HB TRP 23 1HB TRP 23 -11.160 -6.319 0.789 175 HD1 TRP 23 HD1 TRP 23 -11.486 -7.778 -2.435 176 HE1 TRP 23 HE1 TRP 23 -9.257 -7.923 -3.705 177 HE3 TRP 23 HE3 TRP 23 -8.287 -7.043 1.473 178 HZ2 TRP 23 HZ2 TRP 23 -6.503 -7.743 -3.127 179 HZ3 TRP 23 HZ3 TRP 23 -5.869 -7.036 1.030 180 HH2 TRP 23 HH2 TRP 23 -4.995 -7.378 -1.222 181 H LEU 24 H LEU 24 -10.351 -6.240 2.791 182 HA LEU 24 HA LEU 24 -12.655 -5.888 4.416 183 1HB LEU 24 2HB LEU 24 -10.635 -7.658 5.407 184 2HB LEU 24 1HB LEU 24 -10.664 -6.220 6.407 185 HG LEU 24 HG LEU 24 -13.051 -7.970 5.812 186 1HD1 LEU 24 1HD1 LEU 24 -11.291 -7.745 8.245 187 2HD1 LEU 24 2HD1 LEU 24 -11.525 -9.160 7.221 188 3HD1 LEU 24 3HD1 LEU 24 -12.852 -8.564 8.219 189 1HD2 LEU 24 1HD2 LEU 24 -13.758 -6.533 7.953 190 2HD2 LEU 24 2HD2 LEU 24 -14.091 -6.018 6.299 191 3HD2 LEU 24 3HD2 LEU 24 -12.700 -5.363 7.163 192 HA PRO 25 HA PRO 25 -11.075 -1.743 3.928 193 1HB PRO 25 2HB PRO 25 -12.543 -1.452 6.520 194 2HB PRO 25 1HB PRO 25 -12.562 -0.406 5.094 195 1HG PRO 25 2HG PRO 25 -14.566 -2.094 5.568 196 2HG PRO 25 1HG PRO 25 -13.982 -1.807 3.918 197 1HD PRO 25 2HD PRO 25 -13.617 -4.176 5.667 198 2HD PRO 25 1HD PRO 25 -13.668 -4.072 3.897 199 H ALA 26 H ALA 26 -8.868 -2.057 4.312 200 HA ALA 26 HA ALA 26 -7.557 -2.775 6.593 201 1HB ALA 26 1HB ALA 26 -6.562 -2.248 4.339 202 2HB ALA 26 2HB ALA 26 -5.626 -1.711 5.734 203 3HB ALA 26 3HB ALA 26 -6.589 -0.551 4.819 204 H GLY 27 H GLY 27 -8.206 0.593 5.670 205 1HA GLY 27 2HA GLY 27 -7.314 1.860 7.947 206 2HA GLY 27 1HA GLY 27 -8.620 2.464 6.940 207 H THR 28 H THR 28 -10.726 2.269 7.625 208 HA THR 28 HA THR 28 -11.201 0.860 10.150 209 HB THR 28 HB THR 28 -12.549 2.789 10.959 210 HG1 THR 28 HG1 THR 28 -11.394 4.075 8.713 211 1HG2 THR 28 1HG2 THR 28 -10.088 2.475 11.541 212 2HG2 THR 28 2HG2 THR 28 -10.797 4.069 11.799 213 3HG2 THR 28 3HG2 THR 28 -9.781 3.774 10.387 214 H GLY 29 H GLY 29 -13.196 3.049 8.207 215 1HA GLY 29 2HA GLY 29 -14.927 0.761 7.529 216 2HA GLY 29 1HA GLY 29 -15.617 2.216 8.226 217 HA PRO 30 HA PRO 30 -16.255 4.325 4.422 218 1HB PRO 30 2HB PRO 30 -14.263 6.347 4.588 219 2HB PRO 30 1HB PRO 30 -15.970 6.487 5.012 220 1HG PRO 30 2HG PRO 30 -13.619 6.011 6.756 221 2HG PRO 30 1HG PRO 30 -15.150 6.826 7.123 222 1HD PRO 30 2HD PRO 30 -14.607 4.380 8.071 223 2HD PRO 30 1HD PRO 30 -16.249 4.827 7.561 224 H GLN 31 H GLN 31 -15.261 4.848 2.333 225 HA GLN 31 HA GLN 31 -12.543 3.913 1.914 226 1HB GLN 31 2HB GLN 31 -14.963 2.430 1.038 227 2HB GLN 31 1HB GLN 31 -13.624 2.524 -0.096 228 1HG GLN 31 2HG GLN 31 -12.140 1.492 1.465 229 2HG GLN 31 1HG GLN 31 -13.360 1.549 2.735 230 1HE2 GLN 31 1HE2 GLN 31 -12.974 0.342 -0.581 231 2HE2 GLN 31 2HE2 GLN 31 -13.776 -1.164 -0.308 232 H ALA 32 H ALA 32 -13.039 6.425 1.641 233 HA ALA 32 HA ALA 32 -13.863 7.026 -1.097 234 1HB ALA 32 1HB ALA 32 -12.874 9.209 0.617 235 2HB ALA 32 2HB ALA 32 -14.313 8.373 1.201 236 3HB ALA 32 3HB ALA 32 -14.314 9.123 -0.395 237 H PHE 33 H PHE 33 -11.656 5.508 -1.156 238 HA PHE 33 HA PHE 33 -9.553 5.373 -2.005 239 1HB PHE 33 2HB PHE 33 -10.282 8.171 -2.827 240 2HB PHE 33 1HB PHE 33 -8.689 7.516 -3.161 241 HD1 PHE 33 HD1 PHE 33 -8.434 5.580 -4.645 242 HD2 PHE 33 HD2 PHE 33 -12.188 7.496 -4.084 243 HE1 PHE 33 HE1 PHE 33 -9.282 4.495 -6.677 244 HE2 PHE 33 HE2 PHE 33 -13.048 6.414 -6.120 245 HZ PHE 33 HZ PHE 33 -11.594 4.910 -7.420 246 H SER 34 H SER 34 -7.340 6.778 -1.979 247 HA SER 34 HA SER 34 -6.893 8.414 0.285 248 1HB SER 34 2HB SER 34 -5.334 6.151 1.029 249 2HB SER 34 1HB SER 34 -6.633 6.921 1.938 250 HG SER 34 HG SER 34 -7.581 5.065 1.644 251 H ARG 35 H ARG 35 -4.753 9.154 0.390 252 HA ARG 35 HA ARG 35 -3.194 8.620 -2.023 253 1HB ARG 35 2HB ARG 35 -3.814 10.973 -0.877 254 2HB ARG 35 1HB ARG 35 -2.297 10.649 -0.046 255 1HG ARG 35 2HG ARG 35 -1.432 11.734 -1.817 256 2HG ARG 35 1HG ARG 35 -1.539 10.140 -2.566 257 1HD ARG 35 2HD ARG 35 -3.189 10.765 -3.961 258 2HD ARG 35 1HD ARG 35 -3.987 11.753 -2.737 259 HE ARG 35 HE ARG 35 -1.539 12.890 -3.724 260 1HH1 ARG 35 2HH1 ARG 35 -4.976 12.596 -4.257 261 2HH1 ARG 35 1HH1 ARG 35 -5.085 14.063 -5.170 262 1HH2 ARG 35 1HH2 ARG 35 -1.682 14.819 -4.926 263 2HH2 ARG 35 2HH2 ARG 35 -3.215 15.325 -5.552 264 H VAL 36 H VAL 36 -2.071 6.768 -1.694 265 HA VAL 36 HA VAL 36 -0.656 6.397 0.824 266 HB VAL 36 HB VAL 36 -0.797 4.473 -1.491 267 1HG1 VAL 36 1HG1 VAL 36 -0.130 4.058 1.422 268 2HG1 VAL 36 2HG1 VAL 36 1.036 4.100 0.099 269 3HG1 VAL 36 3HG1 VAL 36 -0.167 2.813 0.174 270 1HG2 VAL 36 1HG2 VAL 36 -3.013 5.230 -0.324 271 2HG2 VAL 36 2HG2 VAL 36 -2.446 4.190 0.982 272 3HG2 VAL 36 3HG2 VAL 36 -2.711 3.520 -0.627 273 H GLN 37 H GLN 37 1.456 6.474 1.090 274 HA GLN 37 HA GLN 37 3.190 6.803 -1.259 275 1HB GLN 37 2HB GLN 37 3.075 8.490 1.232 276 2HB GLN 37 1HB GLN 37 4.507 8.436 0.214 277 1HG GLN 37 2HG GLN 37 2.919 9.057 -1.695 278 2HG GLN 37 1HG GLN 37 1.786 9.502 -0.421 279 1HE2 GLN 37 1HE2 GLN 37 4.316 10.533 -2.344 280 2HE2 GLN 37 2HE2 GLN 37 4.717 11.986 -1.503 281 H ILE 38 H ILE 38 5.374 6.092 -0.950 282 HA ILE 38 HA ILE 38 5.570 4.088 1.184 283 HB ILE 38 HB ILE 38 7.306 4.414 -1.267 284 1HG1 ILE 38 2HG1 ILE 38 5.052 2.477 -0.700 285 2HG1 ILE 38 1HG1 ILE 38 4.993 3.819 -1.838 286 1HG2 ILE 38 1HG2 ILE 38 8.006 2.076 -0.695 287 2HG2 ILE 38 2HG2 ILE 38 7.167 2.265 0.844 288 3HG2 ILE 38 3HG2 ILE 38 8.538 3.303 0.454 289 1HD1 ILE 38 1HD1 ILE 38 7.183 2.457 -2.699 290 2HD1 ILE 38 2HD1 ILE 38 5.552 2.284 -3.350 291 3HD1 ILE 38 3HD1 ILE 38 6.139 1.155 -2.129 292 H TYR 39 H TYR 39 7.599 3.847 2.326 293 HA TYR 39 HA TYR 39 9.067 6.388 2.547 294 1HB TYR 39 2HB TYR 39 7.924 4.613 4.666 295 2HB TYR 39 1HB TYR 39 9.384 5.538 5.013 296 HD1 TYR 39 HD1 TYR 39 5.958 6.014 3.602 297 HD2 TYR 39 HD2 TYR 39 9.157 7.680 5.854 298 HE1 TYR 39 HE1 TYR 39 4.588 7.999 4.066 299 HE2 TYR 39 HE2 TYR 39 7.795 9.668 6.332 300 HH TYR 39 HH TYR 39 5.262 10.182 6.443 301 H HIS 40 H HIS 40 11.119 6.217 2.040 302 HA HIS 40 HA HIS 40 12.372 3.585 1.992 303 1HB HIS 40 2HB HIS 40 12.526 5.051 -0.001 304 2HB HIS 40 1HB HIS 40 13.408 6.233 0.953 305 HD1 HIS 40 HD1 HIS 40 14.265 4.259 -1.596 306 HD2 HIS 40 HD2 HIS 40 15.607 4.243 2.336 307 HE1 HIS 40 HE1 HIS 40 16.513 3.136 -1.657 308 HE2 HIS 40 HE2 HIS 40 17.284 3.089 0.741 309 H ASN 41 H ASN 41 12.960 3.078 4.033 310 HA ASN 41 HA ASN 41 14.522 5.016 5.587 311 1HB ASN 41 2HB ASN 41 13.496 2.338 6.533 312 2HB ASN 41 1HB ASN 41 14.035 3.697 7.514 313 1HD2 ASN 41 1HD2 ASN 41 11.633 2.525 8.001 314 2HD2 ASN 41 2HD2 ASN 41 10.350 3.593 7.556 315 HA PRO 42 HA PRO 42 17.887 2.287 4.149 316 1HB PRO 42 2HB PRO 42 19.783 4.139 3.951 317 2HB PRO 42 1HB PRO 42 18.514 4.005 2.729 318 1HG PRO 42 2HG PRO 42 18.745 5.929 5.015 319 2HG PRO 42 1HG PRO 42 18.257 6.239 3.339 320 1HD PRO 42 2HD PRO 42 16.489 5.911 5.416 321 2HD PRO 42 1HD PRO 42 16.104 5.574 3.718 322 H THR 43 H THR 43 17.639 4.450 6.867 323 HA THR 43 HA THR 43 20.008 4.090 8.212 324 HB THR 43 HB THR 43 17.335 3.978 9.605 325 HG1 THR 43 HG1 THR 43 16.995 5.710 8.411 326 1HG2 THR 43 1HG2 THR 43 19.988 5.169 10.362 327 2HG2 THR 43 2HG2 THR 43 19.149 3.825 11.139 328 3HG2 THR 43 3HG2 THR 43 18.483 5.455 11.236 329 H ALA 44 H ALA 44 17.386 1.843 7.763 330 HA ALA 44 HA ALA 44 18.996 -0.244 9.061 331 1HB ALA 44 1HB ALA 44 16.044 0.241 9.384 332 2HB ALA 44 2HB ALA 44 17.284 0.210 10.639 333 3HB ALA 44 3HB ALA 44 16.826 -1.280 9.813 334 H ASN 45 H ASN 45 17.943 0.798 6.220 335 HA ASN 45 HA ASN 45 17.590 -0.131 4.182 336 1HB ASN 45 2HB ASN 45 19.327 -1.893 5.524 337 2HB ASN 45 1HB ASN 45 18.107 -2.916 4.772 338 1HD2 ASN 45 1HD2 ASN 45 17.546 -1.411 2.505 339 2HD2 ASN 45 2HD2 ASN 45 18.939 -1.404 1.484 340 H SER 46 H SER 46 15.381 0.285 5.602 341 HA SER 46 HA SER 46 13.698 -2.026 4.896 342 1HB SER 46 2HB SER 46 13.849 -2.156 7.275 343 2HB SER 46 1HB SER 46 13.608 -0.419 7.452 344 HG SER 46 HG SER 46 11.683 -2.215 6.391 345 H PHE 47 H PHE 47 11.479 -1.508 4.409 346 HA PHE 47 HA PHE 47 11.109 1.309 3.628 347 1HB PHE 47 2HB PHE 47 10.432 -1.228 2.165 348 2HB PHE 47 1HB PHE 47 9.590 0.271 1.812 349 HD1 PHE 47 HD1 PHE 47 10.898 2.250 1.057 350 HD2 PHE 47 HD2 PHE 47 12.585 -1.640 1.318 351 HE1 PHE 47 HE1 PHE 47 12.735 2.958 -0.423 352 HE2 PHE 47 HE2 PHE 47 14.428 -0.945 -0.165 353 HZ PHE 47 HZ PHE 47 14.504 1.357 -1.035 354 H ARG 48 H ARG 48 8.635 1.708 3.177 355 HA ARG 48 HA ARG 48 6.816 0.221 4.809 356 1HB ARG 48 2HB ARG 48 8.037 1.453 6.550 357 2HB ARG 48 1HB ARG 48 7.654 2.967 5.748 358 1HG ARG 48 2HG ARG 48 5.520 2.992 6.496 359 2HG ARG 48 1HG ARG 48 5.380 1.234 6.489 360 1HD ARG 48 2HD ARG 48 7.176 1.453 8.423 361 2HD ARG 48 1HD ARG 48 6.457 3.055 8.579 362 HE ARG 48 HE ARG 48 4.371 1.224 8.498 363 1HH1 ARG 48 2HH1 ARG 48 7.081 1.976 10.566 364 2HH1 ARG 48 1HH1 ARG 48 6.294 1.427 12.008 365 1HH2 ARG 48 1HH2 ARG 48 3.334 0.501 10.396 366 2HH2 ARG 48 2HH2 ARG 48 4.170 0.588 11.911 367 H VAL 49 H VAL 49 4.653 0.924 4.645 368 HA VAL 49 HA VAL 49 4.183 2.822 2.444 369 HB VAL 49 HB VAL 49 3.487 0.590 1.821 370 1HG1 VAL 49 1HG1 VAL 49 2.315 0.588 4.538 371 2HG1 VAL 49 2HG1 VAL 49 3.090 -0.711 3.632 372 3HG1 VAL 49 3HG1 VAL 49 1.422 -0.263 3.278 373 1HG2 VAL 49 1HG2 VAL 49 2.060 2.607 1.246 374 2HG2 VAL 49 2HG2 VAL 49 0.970 2.077 2.528 375 3HG2 VAL 49 3HG2 VAL 49 1.271 1.033 1.139 376 H VAL 50 H VAL 50 2.731 4.464 2.743 377 HA VAL 50 HA VAL 50 1.089 4.515 5.145 378 HB VAL 50 HB VAL 50 2.754 6.947 4.621 379 1HG1 VAL 50 1HG1 VAL 50 0.855 7.127 6.123 380 2HG1 VAL 50 2HG1 VAL 50 2.367 7.309 7.016 381 3HG1 VAL 50 3HG1 VAL 50 1.474 5.789 7.093 382 1HG2 VAL 50 1HG2 VAL 50 3.619 4.635 6.358 383 2HG2 VAL 50 2HG2 VAL 50 4.435 6.191 6.212 384 3HG2 VAL 50 3HG2 VAL 50 4.361 5.100 4.828 385 H GLY 51 H GLY 51 -0.873 5.136 4.543 386 1HA GLY 51 2HA GLY 51 -1.122 7.265 2.537 387 2HA GLY 51 1HA GLY 51 -1.968 5.750 2.271 388 H ARG 52 H ARG 52 -2.935 8.523 2.665 389 HA ARG 52 HA ARG 52 -4.687 8.017 4.979 390 1HB ARG 52 2HB ARG 52 -4.948 10.592 4.942 391 2HB ARG 52 1HB ARG 52 -3.483 9.904 5.632 392 1HG ARG 52 2HG ARG 52 -2.165 10.810 4.065 393 2HG ARG 52 1HG ARG 52 -3.312 10.479 2.765 394 1HD ARG 52 2HD ARG 52 -4.459 12.454 4.441 395 2HD ARG 52 1HD ARG 52 -2.795 12.935 4.115 396 HE ARG 52 HE ARG 52 -4.256 12.112 1.776 397 1HH1 ARG 52 2HH1 ARG 52 -3.476 14.785 3.880 398 2HH1 ARG 52 1HH1 ARG 52 -3.793 15.988 2.675 399 1HH2 ARG 52 1HH2 ARG 52 -4.673 13.692 0.190 400 2HH2 ARG 52 2HH2 ARG 52 -4.472 15.368 0.580 401 H LYS 53 H LYS 53 -6.867 8.839 4.808 402 HA LYS 53 HA LYS 53 -7.942 8.418 2.160 403 1HB LYS 53 2HB LYS 53 -8.883 7.753 4.574 404 2HB LYS 53 1HB LYS 53 -9.670 9.314 4.404 405 1HG LYS 53 2HG LYS 53 -11.281 8.051 3.467 406 2HG LYS 53 1HG LYS 53 -10.290 8.278 2.026 407 1HD LYS 53 2HD LYS 53 -10.473 6.017 1.940 408 2HD LYS 53 1HD LYS 53 -9.083 6.114 3.024 409 1HE LYS 53 2HE LYS 53 -10.707 6.062 4.940 410 2HE LYS 53 1HE LYS 53 -11.973 5.707 3.768 411 1HZ LYS 53 1HZ LYS 53 -10.066 3.883 3.174 412 2HZ LYS 53 2HZ LYS 53 -11.428 3.589 4.134 413 3HZ LYS 53 3HZ LYS 53 -9.952 3.981 4.861 414 H MET 54 H MET 54 -9.556 9.909 1.238 415 HA MET 54 HA MET 54 -8.614 12.661 1.477 416 1HB MET 54 2HB MET 54 -10.573 11.596 -0.551 417 2HB MET 54 1HB MET 54 -9.592 13.053 -0.654 418 1HG MET 54 2HG MET 54 -7.919 10.742 -0.315 419 2HG MET 54 1HG MET 54 -9.011 10.521 -1.681 420 1HE MET 54 1HE MET 54 -6.093 11.090 -3.559 421 2HE MET 54 2HE MET 54 -7.561 11.667 -4.346 422 3HE MET 54 3HE MET 54 -7.627 10.267 -3.274 423 H GLN 55 H GLN 55 -10.033 11.894 3.659 424 HA GLN 55 HA GLN 55 -12.774 12.845 3.330 425 1HB GLN 55 2HB GLN 55 -11.351 11.742 5.761 426 2HB GLN 55 1HB GLN 55 -13.060 12.148 5.677 427 1HG GLN 55 2HG GLN 55 -13.195 10.475 3.779 428 2HG GLN 55 1HG GLN 55 -11.600 9.932 4.291 429 1HE2 GLN 55 1HE2 GLN 55 -11.607 8.286 5.631 430 2HE2 GLN 55 2HE2 GLN 55 -12.867 7.871 6.739 431 HA PRO 56 HA PRO 56 -12.226 16.893 4.974 432 1HB PRO 56 2HB PRO 56 -14.212 16.343 7.099 433 2HB PRO 56 1HB PRO 56 -14.241 17.564 5.824 434 1HG PRO 56 2HG PRO 56 -15.840 15.424 5.727 435 2HG PRO 56 1HG PRO 56 -15.113 16.102 4.258 436 1HD PRO 56 2HD PRO 56 -14.320 13.677 5.823 437 2HD PRO 56 1HD PRO 56 -14.362 13.919 4.065 438 H ASP 57 H ASP 57 -11.919 14.123 7.008 439 HA ASP 57 HA ASP 57 -10.558 15.697 9.081 440 1HB ASP 57 2HB ASP 57 -11.943 13.050 9.070 441 2HB ASP 57 1HB ASP 57 -10.646 13.316 10.230 442 H GLN 58 H GLN 58 -10.104 13.153 6.711 443 HA GLN 58 HA GLN 58 -8.228 12.203 5.846 444 1HB GLN 58 2HB GLN 58 -7.426 14.799 6.652 445 2HB GLN 58 1HB GLN 58 -6.144 13.697 7.136 446 1HG GLN 58 2HG GLN 58 -5.418 14.080 5.048 447 2HG GLN 58 1HG GLN 58 -6.574 12.811 4.646 448 1HE2 GLN 58 1HE2 GLN 58 -6.398 16.324 5.088 449 2HE2 GLN 58 2HE2 GLN 58 -7.473 16.715 3.793 450 H GLN 59 H GLN 59 -7.649 10.255 6.511 451 HA GLN 59 HA GLN 59 -6.287 9.952 9.077 452 1HB GLN 59 2HB GLN 59 -7.694 8.172 9.830 453 2HB GLN 59 1HB GLN 59 -8.732 9.530 9.424 454 1HG GLN 59 2HG GLN 59 -8.953 8.348 7.128 455 2HG GLN 59 1HG GLN 59 -8.384 6.929 8.005 456 1HE2 GLN 59 1HE2 GLN 59 -10.119 5.691 8.240 457 2HE2 GLN 59 2HE2 GLN 59 -11.628 6.195 8.913 458 H VAL 60 H VAL 60 -4.804 8.289 9.137 459 HA VAL 60 HA VAL 60 -3.876 7.333 6.624 460 HB VAL 60 HB VAL 60 -2.120 6.227 7.822 461 1HG1 VAL 60 1HG1 VAL 60 -1.735 8.271 9.596 462 2HG1 VAL 60 2HG1 VAL 60 -2.872 8.979 8.448 463 3HG1 VAL 60 3HG1 VAL 60 -1.338 8.321 7.878 464 1HG2 VAL 60 1HG2 VAL 60 -2.400 6.620 10.497 465 2HG2 VAL 60 2HG2 VAL 60 -2.765 5.111 9.663 466 3HG2 VAL 60 3HG2 VAL 60 -4.060 6.253 10.026 467 H VAL 61 H VAL 61 -4.585 5.637 5.531 468 HA VAL 61 HA VAL 61 -6.246 3.659 6.887 469 HB VAL 61 HB VAL 61 -7.049 2.993 4.765 470 1HG1 VAL 61 1HG1 VAL 61 -7.340 5.546 5.657 471 2HG1 VAL 61 2HG1 VAL 61 -8.236 4.841 4.311 472 3HG1 VAL 61 3HG1 VAL 61 -6.797 5.812 3.999 473 1HG2 VAL 61 1HG2 VAL 61 -4.795 4.575 3.529 474 2HG2 VAL 61 2HG2 VAL 61 -6.085 3.764 2.640 475 3HG2 VAL 61 3HG2 VAL 61 -4.935 2.818 3.584 476 H ILE 62 H ILE 62 -3.059 4.018 5.690 477 HA ILE 62 HA ILE 62 -2.533 1.198 6.255 478 HB ILE 62 HB ILE 62 -2.755 1.467 3.774 479 1HG1 ILE 62 2HG1 ILE 62 0.116 0.845 4.306 480 2HG1 ILE 62 1HG1 ILE 62 -1.111 -0.118 5.124 481 1HG2 ILE 62 1HG2 ILE 62 -0.997 2.622 2.545 482 2HG2 ILE 62 2HG2 ILE 62 -0.272 3.154 4.062 483 3HG2 ILE 62 3HG2 ILE 62 -1.871 3.739 3.594 484 1HD1 ILE 62 1HD1 ILE 62 -0.940 -1.389 3.286 485 2HD1 ILE 62 2HD1 ILE 62 -0.308 -0.069 2.300 486 3HD1 ILE 62 3HD1 ILE 62 -2.043 -0.194 2.600 487 H ASN 63 H ASN 63 -0.639 0.850 7.314 488 HA ASN 63 HA ASN 63 1.508 2.744 7.284 489 1HB ASN 63 2HB ASN 63 1.384 3.292 9.708 490 2HB ASN 63 1HB ASN 63 0.038 3.947 8.786 491 1HD2 ASN 63 1HD2 ASN 63 -0.923 4.080 10.947 492 2HD2 ASN 63 2HD2 ASN 63 -1.751 2.697 11.566 493 H CYS 64 H CYS 64 2.199 0.526 6.539 494 HA CYS 64 HA CYS 64 3.261 -0.946 8.849 495 1HB CYS 64 2HB CYS 64 1.211 -1.992 7.496 496 2HB CYS 64 1HB CYS 64 2.514 -2.519 6.435 497 HG CYS 64 HG CYS 64 2.669 -3.277 9.433 498 H ALA 65 H ALA 65 5.367 -1.480 8.700 499 HA ALA 65 HA ALA 65 6.895 -0.441 6.508 500 1HB ALA 65 1HB ALA 65 8.666 -1.908 8.000 501 2HB ALA 65 2HB ALA 65 7.434 -1.468 9.185 502 3HB ALA 65 3HB ALA 65 8.261 -0.211 8.263 503 H ILE 66 H ILE 66 7.822 -1.512 4.828 504 HA ILE 66 HA ILE 66 7.276 -4.396 4.653 505 HB ILE 66 HB ILE 66 7.745 -4.027 2.161 506 1HG1 ILE 66 2HG1 ILE 66 6.810 -1.241 2.479 507 2HG1 ILE 66 1HG1 ILE 66 8.499 -1.545 2.885 508 1HG2 ILE 66 1HG2 ILE 66 5.502 -4.354 3.371 509 2HG2 ILE 66 2HG2 ILE 66 5.477 -3.699 1.733 510 3HG2 ILE 66 3HG2 ILE 66 5.273 -2.625 3.117 511 1HD1 ILE 66 1HD1 ILE 66 8.153 -2.893 0.507 512 2HD1 ILE 66 2HD1 ILE 66 8.912 -1.312 0.717 513 3HD1 ILE 66 3HD1 ILE 66 7.201 -1.419 0.301 514 H VAL 67 H VAL 67 8.864 -5.631 3.321 515 HA VAL 67 HA VAL 67 11.565 -4.646 3.210 516 HB VAL 67 HB VAL 67 12.466 -6.505 4.646 517 1HG1 VAL 67 1HG1 VAL 67 12.227 -5.308 6.700 518 2HG1 VAL 67 2HG1 VAL 67 10.726 -4.560 6.154 519 3HG1 VAL 67 3HG1 VAL 67 12.257 -4.127 5.390 520 1HG2 VAL 67 1HG2 VAL 67 9.971 -7.522 4.571 521 2HG2 VAL 67 2HG2 VAL 67 9.922 -6.685 6.123 522 3HG2 VAL 67 3HG2 VAL 67 11.151 -7.913 5.822 523 H ARG 68 H ARG 68 12.992 -6.887 2.871 524 HA ARG 68 HA ARG 68 12.249 -7.792 0.323 525 1HB ARG 68 2HB ARG 68 14.550 -7.862 0.894 526 2HB ARG 68 1HB ARG 68 14.243 -8.797 2.350 527 1HG ARG 68 2HG ARG 68 13.294 -10.278 0.111 528 2HG ARG 68 1HG ARG 68 14.933 -9.727 -0.225 529 1HD ARG 68 2HD ARG 68 15.823 -10.851 1.605 530 2HD ARG 68 1HD ARG 68 14.259 -10.970 2.412 531 HE ARG 68 HE ARG 68 13.911 -12.937 1.317 532 1HH1 ARG 68 2HH1 ARG 68 16.338 -11.132 -0.426 533 2HH1 ARG 68 1HH1 ARG 68 16.657 -12.407 -1.552 534 1HH2 ARG 68 1HH2 ARG 68 14.333 -14.617 -0.162 535 2HH2 ARG 68 2HH2 ARG 68 15.523 -14.387 -1.400 536 H GLY 69 H GLY 69 10.094 -8.584 0.477 537 1HA GLY 69 2HA GLY 69 9.861 -11.354 0.852 538 2HA GLY 69 1HA GLY 69 9.269 -10.563 2.303 539 H VAL 70 H VAL 70 8.175 -8.244 0.861 540 HA VAL 70 HA VAL 70 5.684 -9.504 0.095 541 HB VAL 70 HB VAL 70 6.527 -6.701 0.694 542 1HG1 VAL 70 1HG1 VAL 70 5.321 -6.018 -1.111 543 2HG1 VAL 70 2HG1 VAL 70 3.999 -6.222 0.041 544 3HG1 VAL 70 3HG1 VAL 70 4.338 -7.480 -1.147 545 1HG2 VAL 70 1HG2 VAL 70 5.365 -8.636 2.166 546 2HG2 VAL 70 2HG2 VAL 70 3.936 -7.797 1.551 547 3HG2 VAL 70 3HG2 VAL 70 5.157 -6.911 2.469 548 H LYS 71 H LYS 71 4.938 -9.797 -1.893 549 HA LYS 71 HA LYS 71 6.424 -8.588 -4.132 550 1HB LYS 71 2HB LYS 71 6.496 -11.167 -3.726 551 2HB LYS 71 1HB LYS 71 4.870 -11.141 -4.397 552 1HG LYS 71 2HG LYS 71 6.471 -9.626 -6.142 553 2HG LYS 71 1HG LYS 71 7.389 -11.080 -5.748 554 1HD LYS 71 2HD LYS 71 4.919 -12.122 -6.170 555 2HD LYS 71 1HD LYS 71 4.909 -10.766 -7.299 556 1HE LYS 71 2HE LYS 71 7.335 -12.464 -7.251 557 2HE LYS 71 1HE LYS 71 5.873 -13.179 -7.929 558 1HZ LYS 71 1HZ LYS 71 6.742 -10.503 -8.797 559 2HZ LYS 71 2HZ LYS 71 5.805 -11.641 -9.625 560 3HZ LYS 71 3HZ LYS 71 7.471 -11.881 -9.457 561 H TYR 72 H TYR 72 5.188 -6.888 -4.689 562 HA TYR 72 HA TYR 72 2.491 -6.518 -4.427 563 1HB TYR 72 2HB TYR 72 4.618 -5.353 -6.066 564 2HB TYR 72 1HB TYR 72 3.027 -5.215 -6.801 565 HD1 TYR 72 HD1 TYR 72 3.382 -5.264 -3.162 566 HD2 TYR 72 HD2 TYR 72 3.055 -2.786 -6.604 567 HE1 TYR 72 HE1 TYR 72 2.891 -3.340 -1.719 568 HE2 TYR 72 HE2 TYR 72 2.559 -0.850 -5.172 569 HH TYR 72 HH TYR 72 2.848 -0.116 -2.900 570 H ASN 73 H ASN 73 0.975 -7.944 -4.978 571 HA ASN 73 HA ASN 73 1.142 -9.316 -7.558 572 1HB ASN 73 2HB ASN 73 0.183 -10.040 -4.958 573 2HB ASN 73 1HB ASN 73 -1.150 -10.152 -6.101 574 1HD2 ASN 73 1HD2 ASN 73 -0.560 -11.276 -8.192 575 2HD2 ASN 73 2HD2 ASN 73 0.393 -12.711 -8.050 576 H GLN 74 H GLN 74 0.441 -7.875 -9.071 577 HA GLN 74 HA GLN 74 -1.743 -6.110 -8.716 578 1HB GLN 74 2HB GLN 74 0.117 -5.869 -10.402 579 2HB GLN 74 1HB GLN 74 -0.666 -7.131 -11.345 580 1HG GLN 74 2HG GLN 74 -2.622 -5.184 -10.718 581 2HG GLN 74 1HG GLN 74 -1.191 -4.343 -11.311 582 1HE2 GLN 74 1HE2 GLN 74 -3.617 -6.748 -12.061 583 2HE2 GLN 74 2HE2 GLN 74 -3.414 -6.700 -13.776 584 H ALA 75 H ALA 75 -3.485 -7.327 -7.943 585 HA ALA 75 HA ALA 75 -4.515 -9.662 -9.060 586 1HB ALA 75 1HB ALA 75 -5.294 -9.012 -6.926 587 2HB ALA 75 2HB ALA 75 -6.689 -8.912 -8.001 588 3HB ALA 75 3HB ALA 75 -5.839 -7.443 -7.520 589 H THR 76 H THR 76 -5.365 -6.280 -9.734 590 HA THR 76 HA THR 76 -6.405 -7.135 -12.341 591 HB THR 76 HB THR 76 -8.376 -5.831 -12.156 592 HG1 THR 76 HG1 THR 76 -8.338 -4.084 -11.031 593 1HG2 THR 76 1HG2 THR 76 -9.539 -7.133 -10.785 594 2HG2 THR 76 2HG2 THR 76 -8.599 -6.639 -9.376 595 3HG2 THR 76 3HG2 THR 76 -8.002 -7.923 -10.427 596 HA PRO 77 HA PRO 77 -4.223 -3.854 -14.286 597 1HB PRO 77 2HB PRO 77 -6.837 -2.713 -15.166 598 2HB PRO 77 1HB PRO 77 -5.399 -3.101 -16.119 599 1HG PRO 77 2HG PRO 77 -7.526 -4.690 -16.194 600 2HG PRO 77 1HG PRO 77 -5.889 -5.373 -16.175 601 1HD PRO 77 2HD PRO 77 -7.900 -5.206 -13.975 602 2HD PRO 77 1HD PRO 77 -6.725 -6.486 -14.336 603 H ASN 78 H ASN 78 -6.904 -3.051 -12.197 604 HA ASN 78 HA ASN 78 -5.511 -0.579 -11.450 605 1HB ASN 78 2HB ASN 78 -7.987 -0.691 -12.806 606 2HB ASN 78 1HB ASN 78 -8.350 -0.222 -11.149 607 1HD2 ASN 78 1HD2 ASN 78 -7.766 1.765 -10.428 608 2HD2 ASN 78 2HD2 ASN 78 -7.058 2.982 -11.432 609 H PHE 79 H PHE 79 -5.152 -2.871 -10.046 610 HA PHE 79 HA PHE 79 -6.152 -2.139 -7.465 611 1HB PHE 79 2HB PHE 79 -7.990 -3.561 -8.628 612 2HB PHE 79 1HB PHE 79 -6.909 -4.916 -8.324 613 HD1 PHE 79 HD1 PHE 79 -6.131 -5.253 -5.889 614 HD2 PHE 79 HD2 PHE 79 -9.474 -2.869 -7.001 615 HE1 PHE 79 HE1 PHE 79 -7.026 -5.449 -3.603 616 HE2 PHE 79 HE2 PHE 79 -10.373 -3.058 -4.718 617 HZ PHE 79 HZ PHE 79 -9.149 -4.350 -3.016 618 H HIS 80 H HIS 80 -4.554 -2.496 -6.078 619 HA HIS 80 HA HIS 80 -2.471 -4.424 -6.789 620 1HB HIS 80 2HB HIS 80 -2.536 -1.897 -5.290 621 2HB HIS 80 1HB HIS 80 -1.519 -3.148 -4.579 622 HD1 HIS 80 HD1 HIS 80 0.428 -1.410 -5.250 623 HD2 HIS 80 HD2 HIS 80 -1.490 -3.337 -8.387 624 HE1 HIS 80 HE1 HIS 80 1.927 -1.103 -7.241 625 HE2 HIS 80 HE2 HIS 80 0.690 -2.177 -9.155 626 H GLN 81 H GLN 81 -1.407 -5.475 -4.755 627 HA GLN 81 HA GLN 81 -2.841 -5.984 -2.429 628 1HB GLN 81 2HB GLN 81 -4.596 -7.001 -3.630 629 2HB GLN 81 1HB GLN 81 -3.490 -7.821 -4.722 630 1HG GLN 81 2HG GLN 81 -3.105 -8.605 -1.956 631 2HG GLN 81 1HG GLN 81 -4.741 -8.917 -2.529 632 1HE2 GLN 81 1HE2 GLN 81 -1.495 -9.912 -2.576 633 2HE2 GLN 81 2HE2 GLN 81 -1.662 -11.220 -3.694 634 H TRP 82 H TRP 82 -1.260 -6.586 -1.101 635 HA TRP 82 HA TRP 82 0.642 -8.628 -2.037 636 1HB TRP 82 2HB TRP 82 2.476 -7.459 -0.850 637 2HB TRP 82 1HB TRP 82 1.865 -6.558 -2.222 638 HD1 TRP 82 HD1 TRP 82 2.271 -6.383 1.530 639 HE1 TRP 82 HE1 TRP 82 1.587 -4.041 2.348 640 HE3 TRP 82 HE3 TRP 82 0.190 -4.595 -2.783 641 HZ2 TRP 82 HZ2 TRP 82 0.331 -1.741 1.305 642 HZ3 TRP 82 HZ3 TRP 82 -0.730 -2.313 -2.788 643 HH2 TRP 82 HH2 TRP 82 -0.657 -0.918 -0.785 644 H ARG 83 H ARG 83 1.207 -10.150 -0.610 645 HA ARG 83 HA ARG 83 -0.054 -10.045 2.040 646 1HB ARG 83 2HB ARG 83 -0.473 -11.983 0.411 647 2HB ARG 83 1HB ARG 83 1.186 -12.468 0.736 648 1HG ARG 83 2HG ARG 83 -0.650 -12.024 3.034 649 2HG ARG 83 1HG ARG 83 -0.815 -13.496 2.076 650 1HD ARG 83 2HD ARG 83 1.722 -12.542 3.399 651 2HD ARG 83 1HD ARG 83 0.660 -13.805 4.018 652 HE ARG 83 HE ARG 83 1.560 -14.324 1.352 653 1HH1 ARG 83 2HH1 ARG 83 2.426 -14.568 4.724 654 2HH1 ARG 83 1HH1 ARG 83 3.529 -15.879 4.474 655 1HH2 ARG 83 1HH2 ARG 83 3.010 -16.049 1.022 656 2HH2 ARG 83 2HH2 ARG 83 3.861 -16.720 2.373 657 H ASP 84 H ASP 84 1.297 -9.223 3.527 658 HA ASP 84 HA ASP 84 4.155 -9.677 3.250 659 1HB ASP 84 2HB ASP 84 3.497 -7.400 3.648 660 2HB ASP 84 1HB ASP 84 2.580 -7.857 5.066 661 H ALA 85 H ALA 85 2.977 -9.190 6.474 662 HA ALA 85 HA ALA 85 4.355 -11.406 7.488 663 1HB ALA 85 1HB ALA 85 3.866 -9.519 8.894 664 2HB ALA 85 2HB ALA 85 3.111 -10.954 9.588 665 3HB ALA 85 3HB ALA 85 2.131 -9.779 8.709 666 H ARG 86 H ARG 86 0.848 -10.978 7.744 667 HA ARG 86 HA ARG 86 0.446 -13.731 6.837 668 1HB ARG 86 2HB ARG 86 0.564 -13.981 9.224 669 2HB ARG 86 1HB ARG 86 -0.529 -12.627 9.473 670 1HG ARG 86 2HG ARG 86 -2.366 -13.875 9.122 671 2HG ARG 86 1HG ARG 86 -1.610 -14.812 7.831 672 1HD ARG 86 2HD ARG 86 -0.952 -15.174 10.746 673 2HD ARG 86 1HD ARG 86 -2.198 -16.099 9.916 674 HE ARG 86 HE ARG 86 -0.491 -17.075 8.545 675 1HH1 ARG 86 2HH1 ARG 86 0.712 -15.224 11.262 676 2HH1 ARG 86 1HH1 ARG 86 2.253 -16.010 11.265 677 1HH2 ARG 86 1HH2 ARG 86 1.538 -18.097 8.559 678 2HH2 ARG 86 2HH2 ARG 86 2.722 -17.636 9.735 679 H GLN 87 H GLN 87 -0.537 -10.493 6.937 680 HA GLN 87 HA GLN 87 -3.199 -11.159 5.901 681 1HB GLN 87 2HB GLN 87 -2.084 -8.836 7.387 682 2HB GLN 87 1HB GLN 87 -3.332 -8.499 6.197 683 1HG GLN 87 2HG GLN 87 -4.952 -9.355 7.472 684 2HG GLN 87 1HG GLN 87 -3.965 -10.727 7.977 685 1HE2 GLN 87 1HE2 GLN 87 -3.307 -7.283 8.332 686 2HE2 GLN 87 2HE2 GLN 87 -3.276 -7.281 10.059 687 H VAL 88 H VAL 88 -3.864 -9.134 4.376 688 HA VAL 88 HA VAL 88 -1.690 -8.690 2.465 689 HB VAL 88 HB VAL 88 -4.374 -9.311 1.334 690 1HG1 VAL 88 1HG1 VAL 88 -1.639 -10.075 0.350 691 2HG1 VAL 88 2HG1 VAL 88 -2.363 -8.499 0.032 692 3HG1 VAL 88 3HG1 VAL 88 -3.140 -9.963 -0.569 693 1HG2 VAL 88 1HG2 VAL 88 -2.418 -11.450 2.184 694 2HG2 VAL 88 2HG2 VAL 88 -3.894 -11.700 1.249 695 3HG2 VAL 88 3HG2 VAL 88 -3.992 -11.148 2.922 696 H TRP 89 H TRP 89 -1.545 -6.612 1.976 697 HA TRP 89 HA TRP 89 -3.768 -4.849 2.639 698 1HB TRP 89 2HB TRP 89 -0.864 -4.349 2.009 699 2HB TRP 89 1HB TRP 89 -2.032 -3.044 2.190 700 HD1 TRP 89 HD1 TRP 89 -0.392 -5.870 4.243 701 HE1 TRP 89 HE1 TRP 89 -0.496 -5.216 6.732 702 HE3 TRP 89 HE3 TRP 89 -3.188 -1.607 3.850 703 HZ2 TRP 89 HZ2 TRP 89 -1.615 -3.163 8.318 704 HZ3 TRP 89 HZ3 TRP 89 -3.727 -0.357 5.898 705 HH2 TRP 89 HH2 TRP 89 -2.962 -1.119 8.084 706 H GLY 90 H GLY 90 -5.194 -5.148 0.946 707 1HA GLY 90 2HA GLY 90 -4.405 -5.019 -1.793 708 2HA GLY 90 1HA GLY 90 -6.043 -4.954 -1.184 709 H LEU 91 H LEU 91 -5.276 -3.405 -3.324 710 HA LEU 91 HA LEU 91 -5.736 -0.751 -2.234 711 1HB LEU 91 2HB LEU 91 -3.176 -1.599 -3.267 712 2HB LEU 91 1HB LEU 91 -3.829 -0.307 -4.246 713 HG LEU 91 HG LEU 91 -2.446 0.700 -2.614 714 1HD1 LEU 91 1HD1 LEU 91 -4.843 1.301 -1.110 715 2HD1 LEU 91 2HD1 LEU 91 -5.132 1.305 -2.847 716 3HD1 LEU 91 3HD1 LEU 91 -3.876 2.333 -2.159 717 1HD2 LEU 91 1HD2 LEU 91 -2.804 -1.448 -1.083 718 2HD2 LEU 91 2HD2 LEU 91 -3.933 -0.357 -0.281 719 3HD2 LEU 91 3HD2 LEU 91 -2.239 0.093 -0.437 720 H ASN 92 H ASN 92 -7.576 -0.253 -3.273 721 HA ASN 92 HA ASN 92 -7.880 -1.025 -6.080 722 1HB ASN 92 2HB ASN 92 -9.732 -1.202 -4.238 723 2HB ASN 92 1HB ASN 92 -9.955 0.516 -4.555 724 1HD2 ASN 92 1HD2 ASN 92 -9.281 0.303 -7.397 725 2HD2 ASN 92 2HD2 ASN 92 -10.636 -0.461 -8.146 726 H PHE 93 H PHE 93 -6.771 0.296 -7.351 727 HA PHE 93 HA PHE 93 -6.356 3.050 -6.846 728 1HB PHE 93 2HB PHE 93 -6.009 1.485 -9.400 729 2HB PHE 93 1HB PHE 93 -5.354 3.081 -9.073 730 HD1 PHE 93 HD1 PHE 93 -3.721 3.310 -7.108 731 HD2 PHE 93 HD2 PHE 93 -4.823 -0.420 -8.833 732 HE1 PHE 93 HE1 PHE 93 -1.728 2.269 -6.121 733 HE2 PHE 93 HE2 PHE 93 -2.830 -1.465 -7.851 734 HZ PHE 93 HZ PHE 93 -1.281 -0.116 -6.496 735 H GLY 94 H GLY 94 -6.900 4.779 -8.369 736 1HA GLY 94 2HA GLY 94 -9.744 4.573 -9.113 737 2HA GLY 94 1HA GLY 94 -8.884 6.067 -8.769 738 H SER 95 H SER 95 -6.572 5.198 -10.414 739 HA SER 95 HA SER 95 -7.732 5.230 -13.103 740 1HB SER 95 2HB SER 95 -6.560 7.140 -13.810 741 2HB SER 95 1HB SER 95 -7.158 7.591 -12.214 742 HG SER 95 HG SER 95 -5.074 8.117 -12.085 743 H LYS 96 H LYS 96 -5.994 4.920 -14.795 744 HA LYS 96 HA LYS 96 -4.516 2.591 -14.193 745 1HB LYS 96 2HB LYS 96 -5.430 3.476 -16.470 746 2HB LYS 96 1HB LYS 96 -3.891 4.324 -16.561 747 1HG LYS 96 2HG LYS 96 -2.870 1.989 -16.077 748 2HG LYS 96 1HG LYS 96 -4.441 1.391 -16.615 749 1HD LYS 96 2HD LYS 96 -3.496 1.461 -18.657 750 2HD LYS 96 1HD LYS 96 -3.879 3.180 -18.570 751 1HE LYS 96 2HE LYS 96 -1.707 3.786 -18.163 752 2HE LYS 96 1HE LYS 96 -1.307 2.243 -17.408 753 1HZ LYS 96 1HZ LYS 96 -1.336 1.207 -19.590 754 2HZ LYS 96 2HZ LYS 96 -0.229 2.485 -19.555 755 3HZ LYS 96 3HZ LYS 96 -1.727 2.685 -20.315 756 H GLU 97 H GLU 97 -3.591 5.983 -14.537 757 HA GLU 97 HA GLU 97 -0.812 5.638 -14.412 758 1HB GLU 97 2HB GLU 97 -2.683 7.900 -13.890 759 2HB GLU 97 1HB GLU 97 -1.023 8.059 -13.337 760 1HG GLU 97 2HG GLU 97 -0.951 7.096 -15.996 761 2HG GLU 97 1HG GLU 97 -2.082 8.447 -15.942 762 H ASP 98 H ASP 98 -3.204 6.125 -11.840 763 HA ASP 98 HA ASP 98 -1.518 6.393 -9.666 764 1HB ASP 98 2HB ASP 98 -4.109 4.829 -9.684 765 2HB ASP 98 1HB ASP 98 -3.351 5.599 -8.293 766 H ALA 99 H ALA 99 -3.111 3.338 -10.563 767 HA ALA 99 HA ALA 99 -1.701 1.615 -8.981 768 1HB ALA 99 1HB ALA 99 -2.495 -0.123 -10.305 769 2HB ALA 99 2HB ALA 99 -2.413 0.837 -11.782 770 3HB ALA 99 3HB ALA 99 -3.660 1.172 -10.581 771 H ALA 100 H ALA 100 -0.649 3.076 -11.992 772 HA ALA 100 HA ALA 100 1.654 1.397 -12.296 773 1HB ALA 100 1HB ALA 100 1.650 4.056 -13.575 774 2HB ALA 100 2HB ALA 100 0.314 2.985 -13.998 775 3HB ALA 100 3HB ALA 100 1.978 2.465 -14.261 776 H GLN 101 H GLN 101 0.957 4.428 -10.703 777 HA GLN 101 HA GLN 101 3.711 5.133 -10.291 778 1HB GLN 101 2HB GLN 101 1.803 6.775 -10.427 779 2HB GLN 101 1HB GLN 101 1.291 6.212 -8.842 780 1HG GLN 101 2HG GLN 101 2.534 8.228 -8.571 781 2HG GLN 101 1HG GLN 101 3.495 6.890 -7.941 782 1HE2 GLN 101 1HE2 GLN 101 5.165 6.023 -9.359 783 2HE2 GLN 101 2HE2 GLN 101 5.984 7.095 -10.438 784 H PHE 102 H PHE 102 1.098 3.888 -8.224 785 HA PHE 102 HA PHE 102 2.427 3.770 -5.815 786 1HB PHE 102 2HB PHE 102 -0.015 3.205 -6.337 787 2HB PHE 102 1HB PHE 102 0.550 1.594 -6.722 788 HD1 PHE 102 HD1 PHE 102 -0.328 0.250 -5.034 789 HD2 PHE 102 HD2 PHE 102 1.660 3.877 -4.018 790 HE1 PHE 102 HE1 PHE 102 -0.452 -0.349 -2.654 791 HE2 PHE 102 HE2 PHE 102 1.539 3.281 -1.637 792 HZ PHE 102 HZ PHE 102 0.482 1.164 -0.950 793 H ALA 103 H ALA 103 2.350 1.283 -8.358 794 HA ALA 103 HA ALA 103 4.040 -0.548 -7.012 795 1HB ALA 103 1HB ALA 103 3.846 -1.852 -8.867 796 2HB ALA 103 2HB ALA 103 4.012 -0.489 -9.974 797 3HB ALA 103 3HB ALA 103 2.480 -0.773 -9.149 798 H ALA 104 H ALA 104 4.620 2.158 -9.150 799 HA ALA 104 HA ALA 104 7.168 1.808 -10.036 800 1HB ALA 104 1HB ALA 104 6.241 4.425 -8.872 801 2HB ALA 104 2HB ALA 104 5.648 3.792 -10.408 802 3HB ALA 104 3HB ALA 104 7.361 4.161 -10.210 803 H GLY 105 H GLY 105 6.503 3.661 -7.070 804 1HA GLY 105 2HA GLY 105 9.168 3.580 -6.144 805 2HA GLY 105 1HA GLY 105 7.763 3.951 -5.162 806 H MET 106 H MET 106 6.342 1.665 -5.172 807 HA MET 106 HA MET 106 7.470 0.141 -3.189 808 1HB MET 106 2HB MET 106 5.110 0.003 -3.728 809 2HB MET 106 1HB MET 106 5.479 -0.722 -5.290 810 1HG MET 106 2HG MET 106 4.917 -2.558 -4.043 811 2HG MET 106 1HG MET 106 6.665 -2.536 -3.876 812 1HE MET 106 1HE MET 106 6.623 -3.781 -0.755 813 2HE MET 106 2HE MET 106 6.087 -4.198 -2.384 814 3HE MET 106 3HE MET 106 4.913 -4.086 -1.071 815 H ALA 107 H ALA 107 7.214 -0.837 -6.596 816 HA ALA 107 HA ALA 107 8.647 -3.142 -6.618 817 1HB ALA 107 1HB ALA 107 7.747 -2.520 -8.673 818 2HB ALA 107 2HB ALA 107 9.483 -2.350 -8.933 819 3HB ALA 107 3HB ALA 107 8.494 -0.923 -8.626 820 H SER 108 H SER 108 9.897 0.136 -6.418 821 HA SER 108 HA SER 108 12.645 -0.541 -6.688 822 1HB SER 108 2HB SER 108 11.360 1.800 -6.758 823 2HB SER 108 1HB SER 108 11.839 1.828 -5.063 824 HG SER 108 HG SER 108 14.011 1.423 -5.820 825 H ALA 109 H ALA 109 10.452 -0.165 -3.937 826 HA ALA 109 HA ALA 109 12.312 -0.404 -1.857 827 1HB ALA 109 1HB ALA 109 9.413 -0.625 -2.145 828 2HB ALA 109 2HB ALA 109 10.371 0.112 -0.863 829 3HB ALA 109 3HB ALA 109 10.070 -1.627 -0.848 830 H LEU 110 H LEU 110 10.262 -2.932 -3.276 831 HA LEU 110 HA LEU 110 11.357 -5.091 -1.887 832 1HB LEU 110 2HB LEU 110 10.343 -5.373 -4.694 833 2HB LEU 110 1HB LEU 110 10.178 -6.484 -3.349 834 HG LEU 110 HG LEU 110 8.788 -3.813 -3.390 835 1HD1 LEU 110 1HD1 LEU 110 7.155 -6.156 -3.976 836 2HD1 LEU 110 2HD1 LEU 110 8.307 -5.754 -5.249 837 3HD1 LEU 110 3HD1 LEU 110 7.143 -4.548 -4.700 838 1HD2 LEU 110 1HD2 LEU 110 7.276 -5.619 -1.983 839 2HD2 LEU 110 2HD2 LEU 110 8.388 -4.439 -1.287 840 3HD2 LEU 110 3HD2 LEU 110 8.927 -6.092 -1.580 841 H GLU 111 H GLU 111 12.526 -3.347 -4.644 842 HA GLU 111 HA GLU 111 14.456 -5.393 -5.362 843 1HB GLU 111 2HB GLU 111 13.384 -2.953 -6.562 844 2HB GLU 111 1HB GLU 111 15.117 -3.147 -6.803 845 1HG GLU 111 2HG GLU 111 14.663 -5.440 -7.627 846 2HG GLU 111 1HG GLU 111 12.944 -5.068 -7.558 847 H ALA 112 H ALA 112 14.301 -2.577 -3.425 848 HA ALA 112 HA ALA 112 17.215 -2.318 -3.307 849 1HB ALA 112 1HB ALA 112 16.281 -0.446 -1.572 850 2HB ALA 112 2HB ALA 112 14.945 -0.547 -2.721 851 3HB ALA 112 3HB ALA 112 16.570 -0.162 -3.289 852 H LEU 113 H LEU 113 14.842 -4.078 -1.910 853 HA LEU 113 HA LEU 113 16.158 -4.167 0.709 854 1HB LEU 113 2HB LEU 113 13.429 -4.105 -0.141 855 2HB LEU 113 1HB LEU 113 13.718 -5.605 0.694 856 HG LEU 113 HG LEU 113 12.875 -3.560 2.037 857 1HD1 LEU 113 1HD1 LEU 113 13.421 -4.872 3.748 858 2HD1 LEU 113 2HD1 LEU 113 15.112 -4.390 3.613 859 3HD1 LEU 113 3HD1 LEU 113 14.514 -5.770 2.694 860 1HD2 LEU 113 1HD2 LEU 113 14.229 -1.813 2.433 861 2HD2 LEU 113 2HD2 LEU 113 15.029 -2.327 0.948 862 3HD2 LEU 113 3HD2 LEU 113 15.676 -2.817 2.511 863 H GLU 114 H GLU 114 15.460 -5.906 -2.183 864 HA GLU 114 HA GLU 114 16.143 -8.490 -1.037 865 1HB GLU 114 2HB GLU 114 14.889 -7.533 -3.512 866 2HB GLU 114 1HB GLU 114 16.012 -8.861 -3.760 867 1HG GLU 114 2HG GLU 114 14.794 -10.208 -2.139 868 2HG GLU 114 1HG GLU 114 13.676 -8.873 -1.861 869 H GLY 115 HN GLY 115 17.467 -6.063 -3.235 870 1HA GLY 115 2HA GLY 115 20.139 -7.076 -2.730 871 2HA GLY 115 1HA GLY 115 19.596 -7.232 -4.394 Start of MODEL 3 1 1H MET 1 1H MET 1 15.547 9.511 13.508 2 2H MET 1 2H MET 1 16.830 10.596 13.860 3 3H MET 1 3H MET 1 16.870 9.651 12.427 4 HA MET 1 HA MET 1 15.164 11.935 13.097 5 1HB MET 1 2HB MET 1 17.550 11.780 11.849 6 2HB MET 1 1HB MET 1 16.487 11.513 10.475 7 1HG MET 1 2HG MET 1 15.598 13.733 12.102 8 2HG MET 1 1HG MET 1 17.255 13.949 11.543 9 1HE MET 1 1HE MET 1 15.722 16.188 8.966 10 2HE MET 1 2HE MET 1 16.426 16.042 10.578 11 3HE MET 1 3HE MET 1 14.675 15.983 10.371 12 H SER 2 H SER 2 13.838 12.517 11.029 13 HA SER 2 HA SER 2 11.808 10.615 10.747 14 1HB SER 2 2HB SER 2 12.426 13.252 9.647 15 2HB SER 2 1HB SER 2 11.547 12.229 8.512 16 HG SER 2 HG SER 2 10.457 13.596 10.350 17 H GLU 3 H GLU 3 11.113 10.314 8.165 18 HA GLU 3 HA GLU 3 13.343 8.767 7.017 19 1HB GLU 3 2HB GLU 3 10.464 8.112 6.481 20 2HB GLU 3 1HB GLU 3 11.873 7.078 6.348 21 1HG GLU 3 2HG GLU 3 10.920 6.247 8.243 22 2HG GLU 3 1HG GLU 3 12.018 7.441 8.932 23 H THR 4 H THR 4 12.385 8.153 4.576 24 HA THR 4 HA THR 4 11.765 10.742 3.316 25 HB THR 4 HB THR 4 13.850 8.717 2.491 26 HG1 THR 4 HG1 THR 4 15.252 10.364 2.842 27 1HG2 THR 4 1HG2 THR 4 14.310 10.540 0.695 28 2HG2 THR 4 2HG2 THR 4 12.595 10.898 0.900 29 3HG2 THR 4 3HG2 THR 4 13.106 9.285 0.401 30 H VAL 5 H VAL 5 9.872 10.593 2.299 31 HA VAL 5 HA VAL 5 8.630 8.124 1.692 32 HB VAL 5 HB VAL 5 7.964 10.958 0.911 33 1HG1 VAL 5 1HG1 VAL 5 7.071 9.782 -0.905 34 2HG1 VAL 5 2HG1 VAL 5 5.724 9.927 0.223 35 3HG1 VAL 5 3HG1 VAL 5 6.606 8.409 0.098 36 1HG2 VAL 5 1HG2 VAL 5 7.606 9.607 3.261 37 2HG2 VAL 5 2HG2 VAL 5 6.059 9.360 2.450 38 3HG2 VAL 5 3HG2 VAL 5 6.657 10.996 2.730 39 H ILE 6 H ILE 6 8.074 7.268 -0.390 40 HA ILE 6 HA ILE 6 10.173 7.785 -2.370 41 HB ILE 6 HB ILE 6 8.310 5.481 -2.664 42 1HG1 ILE 6 2HG1 ILE 6 10.401 5.773 -0.524 43 2HG1 ILE 6 1HG1 ILE 6 8.772 5.137 -0.389 44 1HG2 ILE 6 1HG2 ILE 6 10.234 6.220 -4.216 45 2HG2 ILE 6 2HG2 ILE 6 10.065 4.512 -3.815 46 3HG2 ILE 6 3HG2 ILE 6 11.280 5.494 -2.995 47 1HD1 ILE 6 1HD1 ILE 6 9.836 3.167 -0.335 48 2HD1 ILE 6 2HD1 ILE 6 11.262 3.794 -1.160 49 3HD1 ILE 6 3HD1 ILE 6 9.832 3.346 -2.089 50 H CYS 7 H CYS 7 6.796 6.651 -2.675 51 HA CYS 7 HA CYS 7 6.380 8.730 -4.711 52 1HB CYS 7 2HB CYS 7 6.719 6.046 -5.301 53 2HB CYS 7 1HB CYS 7 4.971 6.246 -5.302 54 HG CYS 7 HG CYS 7 6.184 6.739 -7.674 55 H SER 8 H SER 8 3.855 8.343 -5.441 56 HA SER 8 HA SER 8 2.141 7.927 -3.143 57 1HB SER 8 2HB SER 8 1.363 10.111 -2.865 58 2HB SER 8 1HB SER 8 3.090 10.356 -3.121 59 HG SER 8 HG SER 8 2.687 10.982 -5.206 60 H SER 9 H SER 9 0.364 6.934 -3.857 61 HA SER 9 HA SER 9 -0.677 7.668 -6.512 62 1HB SER 9 2HB SER 9 0.495 5.567 -6.800 63 2HB SER 9 1HB SER 9 -0.358 4.865 -5.426 64 HG SER 9 HG SER 9 -1.731 4.247 -6.891 65 H ARG 10 H ARG 10 -2.944 7.257 -6.832 66 HA ARG 10 HA ARG 10 -4.461 7.517 -4.339 67 1HB ARG 10 2HB ARG 10 -4.660 8.679 -6.949 68 2HB ARG 10 1HB ARG 10 -6.147 7.806 -6.609 69 1HG ARG 10 2HG ARG 10 -6.830 9.574 -5.467 70 2HG ARG 10 1HG ARG 10 -5.591 9.204 -4.267 71 1HD ARG 10 2HD ARG 10 -5.438 11.522 -5.018 72 2HD ARG 10 1HD ARG 10 -3.998 10.610 -5.459 73 HE ARG 10 HE ARG 10 -6.087 11.560 -7.283 74 1HH1 ARG 10 2HH1 ARG 10 -2.989 10.002 -6.816 75 2HH1 ARG 10 1HH1 ARG 10 -2.533 10.147 -8.479 76 1HH2 ARG 10 1HH2 ARG 10 -5.478 11.742 -9.465 77 2HH2 ARG 10 2HH2 ARG 10 -3.942 11.131 -9.981 78 H ALA 11 H ALA 11 -5.746 5.944 -3.590 79 HA ALA 11 HA ALA 11 -7.102 4.074 -5.239 80 1HB ALA 11 1HB ALA 11 -5.896 2.033 -4.482 81 2HB ALA 11 2HB ALA 11 -4.649 3.074 -3.799 82 3HB ALA 11 3HB ALA 11 -4.939 3.072 -5.536 83 H THR 12 H THR 12 -7.769 2.082 -3.710 84 HA THR 12 HA THR 12 -8.619 3.277 -1.152 85 HB THR 12 HB THR 12 -10.084 1.222 -2.825 86 HG1 THR 12 HG1 THR 12 -11.444 2.874 -3.364 87 1HG2 THR 12 1HG2 THR 12 -11.857 1.308 -1.332 88 2HG2 THR 12 2HG2 THR 12 -11.247 2.762 -0.541 89 3HG2 THR 12 3HG2 THR 12 -10.437 1.216 -0.290 90 H VAL 13 H VAL 13 -6.869 2.462 0.007 91 HA VAL 13 HA VAL 13 -5.730 -0.007 -0.064 92 HB VAL 13 HB VAL 13 -6.300 1.607 2.422 93 1HG1 VAL 13 1HG1 VAL 13 -4.169 -0.487 2.023 94 2HG1 VAL 13 2HG1 VAL 13 -5.697 -0.784 2.852 95 3HG1 VAL 13 3HG1 VAL 13 -4.553 0.386 3.506 96 1HG2 VAL 13 1HG2 VAL 13 -3.926 1.544 0.562 97 2HG2 VAL 13 2HG2 VAL 13 -3.985 2.416 2.091 98 3HG2 VAL 13 3HG2 VAL 13 -5.063 2.875 0.773 99 H MET 14 H MET 14 -6.048 -1.985 0.806 100 HA MET 14 HA MET 14 -8.568 -2.533 2.184 101 1HB MET 14 2HB MET 14 -8.643 -2.893 -0.402 102 2HB MET 14 1HB MET 14 -7.676 -4.310 -0.070 103 1HG MET 14 2HG MET 14 -9.438 -5.458 0.645 104 2HG MET 14 1HG MET 14 -9.977 -4.141 1.679 105 1HE MET 14 1HE MET 14 -12.147 -4.176 1.629 106 2HE MET 14 2HE MET 14 -13.276 -4.029 0.282 107 3HE MET 14 3HE MET 14 -12.382 -2.616 0.842 108 H LEU 15 H LEU 15 -8.546 -4.451 3.442 109 HA LEU 15 HA LEU 15 -5.878 -5.647 3.798 110 1HB LEU 15 2HB LEU 15 -7.675 -4.394 5.743 111 2HB LEU 15 1HB LEU 15 -7.133 -5.986 6.229 112 HG LEU 15 HG LEU 15 -5.543 -3.480 5.865 113 1HD1 LEU 15 1HD1 LEU 15 -6.273 -3.972 8.081 114 2HD1 LEU 15 2HD1 LEU 15 -4.544 -4.308 7.991 115 3HD1 LEU 15 3HD1 LEU 15 -5.703 -5.637 7.957 116 1HD2 LEU 15 1HD2 LEU 15 -4.110 -4.722 4.596 117 2HD2 LEU 15 2HD2 LEU 15 -4.616 -6.250 5.318 118 3HD2 LEU 15 3HD2 LEU 15 -3.542 -5.168 6.205 119 H TYR 16 H TYR 16 -5.906 -7.696 3.172 120 HA TYR 16 HA TYR 16 -8.339 -9.161 2.890 121 1HB TYR 16 2HB TYR 16 -6.154 -9.367 1.511 122 2HB TYR 16 1HB TYR 16 -5.622 -10.429 2.809 123 HD1 TYR 16 HD1 TYR 16 -6.479 -12.644 3.020 124 HD2 TYR 16 HD2 TYR 16 -8.120 -9.983 0.134 125 HE1 TYR 16 HE1 TYR 16 -7.678 -14.522 1.985 126 HE2 TYR 16 HE2 TYR 16 -9.326 -11.849 -0.915 127 HH TYR 16 HH TYR 16 -10.128 -14.062 -0.373 128 H ASP 17 H ASP 17 -8.931 -11.089 3.912 129 HA ASP 17 HA ASP 17 -7.692 -11.572 6.536 130 1HB ASP 17 2HB ASP 17 -10.068 -10.344 6.353 131 2HB ASP 17 1HB ASP 17 -10.623 -12.011 6.247 132 H ASP 18 H ASP 18 -6.551 -13.289 5.467 133 HA ASP 18 HA ASP 18 -7.600 -15.329 3.956 134 1HB ASP 18 2HB ASP 18 -5.256 -15.032 5.726 135 2HB ASP 18 1HB ASP 18 -5.746 -16.691 5.394 136 H GLY 19 H GLY 19 -7.991 -14.774 7.363 137 1HA GLY 19 2HA GLY 19 -8.647 -17.308 8.290 138 2HA GLY 19 1HA GLY 19 -9.325 -15.814 8.919 139 H ASN 20 H ASN 20 -10.495 -15.138 6.286 140 HA ASN 20 HA ASN 20 -12.597 -17.184 6.105 141 1HB ASN 20 2HB ASN 20 -12.994 -14.200 6.370 142 2HB ASN 20 1HB ASN 20 -14.264 -15.314 5.872 143 1HD2 ASN 20 1HD2 ASN 20 -11.912 -14.771 8.458 144 2HD2 ASN 20 2HD2 ASN 20 -12.925 -15.339 9.736 145 H LYS 21 H LYS 21 -10.206 -15.830 4.470 146 HA LYS 21 HA LYS 21 -9.712 -15.432 2.286 147 1HB LYS 21 2HB LYS 21 -10.527 -17.772 2.143 148 2HB LYS 21 1HB LYS 21 -12.137 -17.164 1.786 149 1HG LYS 21 2HG LYS 21 -10.867 -15.910 -0.149 150 2HG LYS 21 1HG LYS 21 -9.707 -17.220 0.082 151 1HD LYS 21 2HD LYS 21 -12.516 -18.069 -0.025 152 2HD LYS 21 1HD LYS 21 -11.904 -17.356 -1.519 153 1HE LYS 21 2HE LYS 21 -9.935 -18.925 -1.311 154 2HE LYS 21 1HE LYS 21 -10.827 -19.736 -0.024 155 1HZ LYS 21 1HZ LYS 21 -11.627 -19.469 -2.867 156 2HZ LYS 21 2HZ LYS 21 -12.657 -20.050 -1.660 157 3HZ LYS 21 3HZ LYS 21 -11.240 -20.892 -2.039 158 H ARG 22 H ARG 22 -10.251 -13.180 2.493 159 HA ARG 22 HA ARG 22 -11.871 -12.181 0.473 160 1HB ARG 22 2HB ARG 22 -13.665 -11.107 1.942 161 2HB ARG 22 1HB ARG 22 -13.841 -12.821 1.593 162 1HG ARG 22 2HG ARG 22 -13.775 -13.350 3.745 163 2HG ARG 22 1HG ARG 22 -12.307 -12.403 4.002 164 1HD ARG 22 2HD ARG 22 -13.827 -11.344 5.386 165 2HD ARG 22 1HD ARG 22 -13.909 -10.367 3.921 166 HE ARG 22 HE ARG 22 -15.868 -12.198 3.558 167 1HH1 ARG 22 2HH1 ARG 22 -15.105 -9.996 6.155 168 2HH1 ARG 22 1HH1 ARG 22 -16.755 -9.807 6.646 169 1HH2 ARG 22 1HH2 ARG 22 -18.038 -11.950 4.203 170 2HH2 ARG 22 2HH2 ARG 22 -18.420 -10.916 5.538 171 H TRP 23 H TRP 23 -12.346 -9.749 0.827 172 HA TRP 23 HA TRP 23 -9.911 -8.573 1.897 173 1HB TRP 23 2HB TRP 23 -12.091 -7.631 0.072 174 2HB TRP 23 1HB TRP 23 -11.079 -6.444 0.885 175 HD1 TRP 23 HD1 TRP 23 -11.271 -8.043 -2.288 176 HE1 TRP 23 HE1 TRP 23 -8.999 -8.189 -3.478 177 HE3 TRP 23 HE3 TRP 23 -8.222 -7.067 1.686 178 HZ2 TRP 23 HZ2 TRP 23 -6.270 -7.916 -2.819 179 HZ3 TRP 23 HZ3 TRP 23 -5.791 -7.020 1.321 180 HH2 TRP 23 HH2 TRP 23 -4.835 -7.435 -0.884 181 H LEU 24 H LEU 24 -10.233 -6.344 2.968 182 HA LEU 24 HA LEU 24 -12.603 -5.980 4.532 183 1HB LEU 24 2HB LEU 24 -10.468 -7.582 5.599 184 2HB LEU 24 1HB LEU 24 -10.626 -6.114 6.544 185 HG LEU 24 HG LEU 24 -13.098 -7.665 5.943 186 1HD1 LEU 24 1HD1 LEU 24 -10.814 -8.643 7.530 187 2HD1 LEU 24 2HD1 LEU 24 -12.107 -9.533 6.725 188 3HD1 LEU 24 3HD1 LEU 24 -12.401 -8.770 8.287 189 1HD2 LEU 24 1HD2 LEU 24 -13.572 -6.918 8.303 190 2HD2 LEU 24 2HD2 LEU 24 -13.405 -5.627 7.114 191 3HD2 LEU 24 3HD2 LEU 24 -12.080 -5.982 8.221 192 HA PRO 25 HA PRO 25 -11.214 -1.788 3.864 193 1HB PRO 25 2HB PRO 25 -12.691 -1.457 6.447 194 2HB PRO 25 1HB PRO 25 -12.759 -0.470 4.982 195 1HG PRO 25 2HG PRO 25 -14.687 -2.223 5.524 196 2HG PRO 25 1HG PRO 25 -14.112 -1.986 3.864 197 1HD PRO 25 2HD PRO 25 -13.640 -4.251 5.725 198 2HD PRO 25 1HD PRO 25 -13.706 -4.239 3.952 199 H ALA 26 H ALA 26 -9.004 -2.032 4.252 200 HA ALA 26 HA ALA 26 -7.672 -2.601 6.563 201 1HB ALA 26 1HB ALA 26 -5.811 -1.232 5.664 202 2HB ALA 26 2HB ALA 26 -6.906 -0.632 4.420 203 3HB ALA 26 3HB ALA 26 -6.502 -2.348 4.487 204 H GLY 27 H GLY 27 -8.469 0.681 5.467 205 1HA GLY 27 2HA GLY 27 -7.547 2.122 7.624 206 2HA GLY 27 1HA GLY 27 -8.921 2.604 6.644 207 H THR 28 H THR 28 -10.967 2.423 7.460 208 HA THR 28 HA THR 28 -11.339 1.031 9.999 209 HB THR 28 HB THR 28 -12.670 3.634 9.987 210 HG1 THR 28 HG1 THR 28 -9.840 3.561 10.159 211 1HG2 THR 28 1HG2 THR 28 -10.887 3.368 12.150 212 2HG2 THR 28 2HG2 THR 28 -11.627 1.791 11.880 213 3HG2 THR 28 3HG2 THR 28 -12.643 3.207 12.149 214 H GLY 29 H GLY 29 -13.276 3.363 8.152 215 1HA GLY 29 2HA GLY 29 -15.222 1.206 7.640 216 2HA GLY 29 1HA GLY 29 -15.746 2.755 8.279 217 HA PRO 30 HA PRO 30 -16.415 4.598 4.345 218 1HB PRO 30 2HB PRO 30 -14.191 6.503 4.948 219 2HB PRO 30 1HB PRO 30 -15.831 6.834 4.380 220 1HG PRO 30 2HG PRO 30 -15.176 7.238 6.926 221 2HG PRO 30 1HG PRO 30 -16.759 6.567 6.490 222 1HD PRO 30 2HD PRO 30 -14.377 5.209 7.652 223 2HD PRO 30 1HD PRO 30 -16.102 4.868 7.891 224 H GLN 31 H GLN 31 -15.481 4.903 2.229 225 HA GLN 31 HA GLN 31 -12.734 3.969 1.885 226 1HB GLN 31 2HB GLN 31 -15.188 2.568 0.947 227 2HB GLN 31 1HB GLN 31 -13.789 2.578 -0.118 228 1HG GLN 31 2HG GLN 31 -12.436 1.523 1.550 229 2HG GLN 31 1HG GLN 31 -13.728 1.653 2.742 230 1HE2 GLN 31 1HE2 GLN 31 -13.644 0.585 -0.641 231 2HE2 GLN 31 2HE2 GLN 31 -14.343 -0.967 -0.348 232 H ALA 32 H ALA 32 -13.138 6.489 1.578 233 HA ALA 32 HA ALA 32 -13.888 7.094 -1.179 234 1HB ALA 32 1HB ALA 32 -13.194 9.485 -0.235 235 2HB ALA 32 2HB ALA 32 -13.518 8.678 1.301 236 3HB ALA 32 3HB ALA 32 -14.779 8.775 0.071 237 H PHE 33 H PHE 33 -11.722 5.505 -1.173 238 HA PHE 33 HA PHE 33 -9.609 5.300 -1.981 239 1HB PHE 33 2HB PHE 33 -10.261 8.099 -2.861 240 2HB PHE 33 1HB PHE 33 -8.674 7.409 -3.156 241 HD1 PHE 33 HD1 PHE 33 -8.374 5.581 -4.696 242 HD2 PHE 33 HD2 PHE 33 -12.211 7.296 -4.044 243 HE1 PHE 33 HE1 PHE 33 -9.206 4.474 -6.722 244 HE2 PHE 33 HE2 PHE 33 -13.054 6.191 -6.075 245 HZ PHE 33 HZ PHE 33 -11.550 4.776 -7.419 246 H SER 34 H SER 34 -7.369 6.724 -1.961 247 HA SER 34 HA SER 34 -6.925 8.353 0.300 248 1HB SER 34 2HB SER 34 -5.388 6.304 1.276 249 2HB SER 34 1HB SER 34 -6.975 6.751 1.900 250 HG SER 34 HG SER 34 -7.484 4.782 1.378 251 H ARG 35 H ARG 35 -4.790 9.089 0.414 252 HA ARG 35 HA ARG 35 -3.202 8.498 -1.967 253 1HB ARG 35 2HB ARG 35 -3.707 10.865 -1.369 254 2HB ARG 35 1HB ARG 35 -2.788 10.653 0.115 255 1HG ARG 35 2HG ARG 35 -1.094 11.479 -1.088 256 2HG ARG 35 1HG ARG 35 -0.977 9.838 -1.724 257 1HD ARG 35 2HD ARG 35 -1.508 10.532 -3.767 258 2HD ARG 35 1HD ARG 35 -2.968 11.320 -3.171 259 HE ARG 35 HE ARG 35 -1.027 13.067 -2.496 260 1HH1 ARG 35 2HH1 ARG 35 -1.832 11.467 -5.492 261 2HH1 ARG 35 1HH1 ARG 35 -1.244 12.757 -6.485 262 1HH2 ARG 35 1HH2 ARG 35 -0.255 14.766 -3.801 263 2HH2 ARG 35 2HH2 ARG 35 -0.349 14.630 -5.525 264 H VAL 36 H VAL 36 -2.163 6.603 -1.542 265 HA VAL 36 HA VAL 36 -0.714 6.326 0.969 266 HB VAL 36 HB VAL 36 -1.004 4.302 -1.248 267 1HG1 VAL 36 1HG1 VAL 36 0.013 4.128 1.581 268 2HG1 VAL 36 2HG1 VAL 36 0.887 3.770 0.092 269 3HG1 VAL 36 3HG1 VAL 36 -0.424 2.716 0.619 270 1HG2 VAL 36 1HG2 VAL 36 -3.079 5.212 0.163 271 2HG2 VAL 36 2HG2 VAL 36 -2.465 4.021 1.311 272 3HG2 VAL 36 3HG2 VAL 36 -2.923 3.522 -0.317 273 H GLN 37 H GLN 37 1.331 6.717 1.186 274 HA GLN 37 HA GLN 37 3.051 6.853 -1.200 275 1HB GLN 37 2HB GLN 37 3.059 8.426 1.363 276 2HB GLN 37 1HB GLN 37 4.468 8.368 0.314 277 1HG GLN 37 2HG GLN 37 2.951 9.183 -1.529 278 2HG GLN 37 1HG GLN 37 1.751 9.496 -0.281 279 1HE2 GLN 37 1HE2 GLN 37 4.546 10.611 -1.862 280 2HE2 GLN 37 2HE2 GLN 37 4.790 12.045 -0.930 281 H ILE 38 H ILE 38 5.394 6.314 -0.709 282 HA ILE 38 HA ILE 38 5.454 4.101 1.236 283 HB ILE 38 HB ILE 38 7.199 4.424 -1.206 284 1HG1 ILE 38 2HG1 ILE 38 4.740 2.719 -0.762 285 2HG1 ILE 38 1HG1 ILE 38 4.873 4.089 -1.861 286 1HG2 ILE 38 1HG2 ILE 38 7.869 2.144 -0.789 287 2HG2 ILE 38 2HG2 ILE 38 6.761 2.033 0.579 288 3HG2 ILE 38 3HG2 ILE 38 8.157 3.106 0.661 289 1HD1 ILE 38 1HD1 ILE 38 5.748 1.313 -2.183 290 2HD1 ILE 38 2HD1 ILE 38 6.888 2.532 -2.752 291 3HD1 ILE 38 3HD1 ILE 38 5.242 2.498 -3.387 292 H TYR 39 H TYR 39 7.354 3.779 2.469 293 HA TYR 39 HA TYR 39 8.931 6.238 2.809 294 1HB TYR 39 2HB TYR 39 7.823 4.249 4.736 295 2HB TYR 39 1HB TYR 39 9.339 5.050 5.144 296 HD1 TYR 39 HD1 TYR 39 9.048 6.801 6.600 297 HD2 TYR 39 HD2 TYR 39 6.100 6.134 3.608 298 HE1 TYR 39 HE1 TYR 39 7.816 8.776 7.383 299 HE2 TYR 39 HE2 TYR 39 4.857 8.105 4.378 300 HH TYR 39 HH TYR 39 4.624 9.480 6.348 301 H HIS 40 H HIS 40 10.980 6.143 2.240 302 HA HIS 40 HA HIS 40 12.250 3.538 1.906 303 1HB HIS 40 2HB HIS 40 12.367 5.002 -0.020 304 2HB HIS 40 1HB HIS 40 13.058 6.292 0.954 305 HD1 HIS 40 HD1 HIS 40 14.872 5.956 -1.141 306 HD2 HIS 40 HD2 HIS 40 14.850 3.144 1.918 307 HE1 HIS 40 HE1 HIS 40 17.098 4.795 -1.278 308 HE2 HIS 40 HE2 HIS 40 17.025 3.035 0.523 309 H ASN 41 H ASN 41 12.676 3.044 4.060 310 HA ASN 41 HA ASN 41 14.528 4.806 5.501 311 1HB ASN 41 2HB ASN 41 13.129 2.355 6.575 312 2HB ASN 41 1HB ASN 41 13.919 3.630 7.495 313 1HD2 ASN 41 1HD2 ASN 41 11.616 3.274 8.439 314 2HD2 ASN 41 2HD2 ASN 41 10.417 4.376 7.861 315 HA PRO 42 HA PRO 42 17.414 1.549 4.076 316 1HB PRO 42 2HB PRO 42 19.550 3.115 3.746 317 2HB PRO 42 1HB PRO 42 18.244 3.081 2.555 318 1HG PRO 42 2HG PRO 42 18.772 5.079 4.726 319 2HG PRO 42 1HG PRO 42 18.309 5.361 3.037 320 1HD PRO 42 2HD PRO 42 16.533 5.408 5.118 321 2HD PRO 42 1HD PRO 42 16.088 4.979 3.455 322 H THR 43 H THR 43 17.499 3.798 6.714 323 HA THR 43 HA THR 43 19.844 3.258 8.020 324 HB THR 43 HB THR 43 18.296 3.430 10.157 325 HG1 THR 43 HG1 THR 43 16.362 3.053 9.004 326 1HG2 THR 43 1HG2 THR 43 19.695 5.257 9.573 327 2HG2 THR 43 2HG2 THR 43 18.063 5.885 9.806 328 3HG2 THR 43 3HG2 THR 43 18.694 5.652 8.176 329 H ALA 44 H ALA 44 16.957 1.266 7.859 330 HA ALA 44 HA ALA 44 18.402 -0.871 9.284 331 1HB ALA 44 1HB ALA 44 15.490 -0.165 9.231 332 2HB ALA 44 2HB ALA 44 16.552 -0.391 10.620 333 3HB ALA 44 3HB ALA 44 16.035 -1.784 9.670 334 H ASN 45 H ASN 45 17.313 0.119 6.288 335 HA ASN 45 HA ASN 45 17.369 -0.913 4.255 336 1HB ASN 45 2HB ASN 45 18.873 -2.662 5.830 337 2HB ASN 45 1HB ASN 45 17.667 -3.690 5.064 338 1HD2 ASN 45 1HD2 ASN 45 17.381 -2.228 2.667 339 2HD2 ASN 45 2HD2 ASN 45 18.838 -2.410 1.757 340 H SER 46 H SER 46 15.018 -0.429 5.623 341 HA SER 46 HA SER 46 13.313 -2.559 4.539 342 1HB SER 46 2HB SER 46 12.472 -1.201 7.069 343 2HB SER 46 1HB SER 46 12.044 -2.800 6.461 344 HG SER 46 HG SER 46 14.507 -1.989 7.608 345 H PHE 47 H PHE 47 10.961 -1.772 4.443 346 HA PHE 47 HA PHE 47 10.871 1.102 3.835 347 1HB PHE 47 2HB PHE 47 9.999 -1.195 2.096 348 2HB PHE 47 1HB PHE 47 9.347 0.425 1.880 349 HD1 PHE 47 HD1 PHE 47 12.278 -1.698 1.550 350 HD2 PHE 47 HD2 PHE 47 10.746 2.233 1.081 351 HE1 PHE 47 HE1 PHE 47 14.250 -1.100 0.201 352 HE2 PHE 47 HE2 PHE 47 12.710 2.848 -0.267 353 HZ PHE 47 HZ PHE 47 14.467 1.179 -0.711 354 H ARG 48 H ARG 48 8.484 1.793 3.471 355 HA ARG 48 HA ARG 48 6.593 0.269 5.060 356 1HB ARG 48 2HB ARG 48 8.122 2.045 6.407 357 2HB ARG 48 1HB ARG 48 6.805 3.094 5.903 358 1HG ARG 48 2HG ARG 48 5.326 1.143 6.858 359 2HG ARG 48 1HG ARG 48 6.791 0.795 7.776 360 1HD ARG 48 2HD ARG 48 6.664 3.429 8.176 361 2HD ARG 48 1HD ARG 48 4.948 3.108 7.936 362 HE ARG 48 HE ARG 48 5.654 1.229 9.733 363 1HH1 ARG 48 2HH1 ARG 48 6.139 4.684 9.620 364 2HH1 ARG 48 1HH1 ARG 48 6.125 4.868 11.341 365 1HH2 ARG 48 1HH2 ARG 48 5.636 1.470 11.998 366 2HH2 ARG 48 2HH2 ARG 48 5.842 3.044 12.691 367 H VAL 49 H VAL 49 4.455 0.796 4.719 368 HA VAL 49 HA VAL 49 3.970 2.670 2.506 369 HB VAL 49 HB VAL 49 3.306 0.414 1.940 370 1HG1 VAL 49 1HG1 VAL 49 1.909 0.497 4.582 371 2HG1 VAL 49 2HG1 VAL 49 2.985 -0.732 3.925 372 3HG1 VAL 49 3HG1 VAL 49 1.343 -0.574 3.303 373 1HG2 VAL 49 1HG2 VAL 49 0.776 1.912 2.575 374 2HG2 VAL 49 2HG2 VAL 49 1.083 0.808 1.234 375 3HG2 VAL 49 3HG2 VAL 49 1.873 2.384 1.278 376 H VAL 50 H VAL 50 2.765 4.440 2.880 377 HA VAL 50 HA VAL 50 1.060 4.513 5.267 378 HB VAL 50 HB VAL 50 2.633 6.965 4.646 379 1HG1 VAL 50 1HG1 VAL 50 2.537 7.090 7.174 380 2HG1 VAL 50 2HG1 VAL 50 1.456 5.698 7.103 381 3HG1 VAL 50 3HG1 VAL 50 0.997 7.212 6.321 382 1HG2 VAL 50 1HG2 VAL 50 4.428 6.194 6.204 383 2HG2 VAL 50 2HG2 VAL 50 4.402 5.348 4.657 384 3HG2 VAL 50 3HG2 VAL 50 3.750 4.569 6.099 385 H GLY 51 H GLY 51 -0.922 5.085 4.679 386 1HA GLY 51 2HA GLY 51 -1.236 7.199 2.669 387 2HA GLY 51 1HA GLY 51 -2.049 5.665 2.403 388 H ARG 52 H ARG 52 -3.157 8.345 2.747 389 HA ARG 52 HA ARG 52 -4.914 7.763 5.032 390 1HB ARG 52 2HB ARG 52 -5.119 10.302 5.259 391 2HB ARG 52 1HB ARG 52 -3.628 9.566 5.830 392 1HG ARG 52 2HG ARG 52 -2.373 10.460 4.133 393 2HG ARG 52 1HG ARG 52 -3.750 10.591 3.037 394 1HD ARG 52 2HD ARG 52 -4.436 12.246 5.137 395 2HD ARG 52 1HD ARG 52 -2.701 12.505 4.963 396 HE ARG 52 HE ARG 52 -4.141 12.604 2.477 397 1HH1 ARG 52 2HH1 ARG 52 -3.093 14.443 5.252 398 2HH1 ARG 52 1HH1 ARG 52 -3.164 15.963 4.427 399 1HH2 ARG 52 1HH2 ARG 52 -4.234 14.604 1.391 400 2HH2 ARG 52 2HH2 ARG 52 -3.812 16.055 2.236 401 H LYS 53 H LYS 53 -7.063 8.732 4.856 402 HA LYS 53 HA LYS 53 -8.181 8.290 2.286 403 1HB LYS 53 2HB LYS 53 -9.152 8.405 4.872 404 2HB LYS 53 1HB LYS 53 -9.857 9.826 4.117 405 1HG LYS 53 2HG LYS 53 -11.461 8.430 3.448 406 2HG LYS 53 1HG LYS 53 -10.300 7.927 2.220 407 1HD LYS 53 2HD LYS 53 -9.477 6.295 4.090 408 2HD LYS 53 1HD LYS 53 -11.085 6.571 4.762 409 1HE LYS 53 2HE LYS 53 -12.091 5.352 3.167 410 2HE LYS 53 1HE LYS 53 -11.066 6.004 1.889 411 1HZ LYS 53 1HZ LYS 53 -9.488 4.388 2.208 412 2HZ LYS 53 2HZ LYS 53 -10.897 3.517 2.543 413 3HZ LYS 53 3HZ LYS 53 -9.937 4.088 3.812 414 H MET 54 H MET 54 -9.657 9.915 1.226 415 HA MET 54 HA MET 54 -8.281 12.511 1.098 416 1HB MET 54 2HB MET 54 -10.100 11.382 -1.021 417 2HB MET 54 1HB MET 54 -8.932 12.685 -1.178 418 1HG MET 54 2HG MET 54 -7.237 10.778 -0.519 419 2HG MET 54 1HG MET 54 -8.513 9.748 -1.166 420 1HE MET 54 1HE MET 54 -5.560 12.425 -3.096 421 2HE MET 54 2HE MET 54 -5.161 10.721 -2.878 422 3HE MET 54 3HE MET 54 -5.662 11.693 -1.495 423 H GLN 55 H GLN 55 -10.042 12.229 3.150 424 HA GLN 55 HA GLN 55 -12.335 13.855 2.266 425 1HB GLN 55 2HB GLN 55 -13.465 12.863 4.372 426 2HB GLN 55 1HB GLN 55 -13.361 11.870 2.927 427 1HG GLN 55 2HG GLN 55 -11.741 10.492 3.831 428 2HG GLN 55 1HG GLN 55 -11.248 11.689 5.028 429 1HE2 GLN 55 1HE2 GLN 55 -12.116 8.850 5.258 430 2HE2 GLN 55 2HE2 GLN 55 -13.399 8.867 6.414 431 HA PRO 56 HA PRO 56 -11.351 17.150 4.996 432 1HB PRO 56 2HB PRO 56 -13.625 17.170 6.655 433 2HB PRO 56 1HB PRO 56 -13.406 18.082 5.162 434 1HG PRO 56 2HG PRO 56 -14.817 15.501 5.616 435 2HG PRO 56 1HG PRO 56 -15.201 16.811 4.486 436 1HD PRO 56 2HD PRO 56 -14.096 14.532 3.634 437 2HD PRO 56 1HD PRO 56 -13.628 16.094 2.931 438 H ASP 57 H ASP 57 -12.397 14.115 6.384 439 HA ASP 57 HA ASP 57 -11.535 14.696 9.048 440 1HB ASP 57 2HB ASP 57 -12.554 12.319 7.588 441 2HB ASP 57 1HB ASP 57 -11.579 12.007 9.022 442 H GLN 58 H GLN 58 -10.144 12.953 6.297 443 HA GLN 58 HA GLN 58 -8.030 12.263 5.830 444 1HB GLN 58 2HB GLN 58 -7.826 14.840 6.871 445 2HB GLN 58 1HB GLN 58 -6.595 13.927 7.730 446 1HG GLN 58 2HG GLN 58 -5.297 14.357 5.979 447 2HG GLN 58 1HG GLN 58 -6.227 13.109 5.149 448 1HE2 GLN 58 1HE2 GLN 58 -5.173 16.240 5.004 449 2HE2 GLN 58 2HE2 GLN 58 -6.277 16.853 3.825 450 H GLN 59 H GLN 59 -7.830 10.220 6.539 451 HA GLN 59 HA GLN 59 -6.582 9.830 9.157 452 1HB GLN 59 2HB GLN 59 -8.052 8.005 9.740 453 2HB GLN 59 1HB GLN 59 -9.020 9.437 9.420 454 1HG GLN 59 2HG GLN 59 -9.365 8.524 7.090 455 2HG GLN 59 1HG GLN 59 -8.662 7.019 7.680 456 1HE2 GLN 59 1HE2 GLN 59 -10.123 5.577 8.203 457 2HE2 GLN 59 2HE2 GLN 59 -11.680 5.892 8.884 458 H VAL 60 H VAL 60 -5.050 8.240 9.196 459 HA VAL 60 HA VAL 60 -4.069 7.293 6.708 460 HB VAL 60 HB VAL 60 -2.346 6.170 7.942 461 1HG1 VAL 60 1HG1 VAL 60 -2.061 8.228 9.755 462 2HG1 VAL 60 2HG1 VAL 60 -3.096 8.921 8.507 463 3HG1 VAL 60 3HG1 VAL 60 -1.527 8.239 8.075 464 1HG2 VAL 60 1HG2 VAL 60 -4.347 6.178 10.089 465 2HG2 VAL 60 2HG2 VAL 60 -2.705 6.553 10.614 466 3HG2 VAL 60 3HG2 VAL 60 -3.035 5.044 9.760 467 H VAL 61 H VAL 61 -4.739 5.614 5.574 468 HA VAL 61 HA VAL 61 -6.441 3.616 6.846 469 HB VAL 61 HB VAL 61 -7.206 3.007 4.706 470 1HG1 VAL 61 1HG1 VAL 61 -6.667 5.974 4.711 471 2HG1 VAL 61 2HG1 VAL 61 -8.085 5.146 5.358 472 3HG1 VAL 61 3HG1 VAL 61 -7.790 5.164 3.619 473 1HG2 VAL 61 1HG2 VAL 61 -4.826 4.467 3.562 474 2HG2 VAL 61 2HG2 VAL 61 -6.136 3.769 2.610 475 3HG2 VAL 61 3HG2 VAL 61 -5.095 2.724 3.574 476 H ILE 62 H ILE 62 -3.236 3.987 5.649 477 HA ILE 62 HA ILE 62 -2.706 1.168 6.237 478 HB ILE 62 HB ILE 62 -2.898 1.445 3.756 479 1HG1 ILE 62 2HG1 ILE 62 -0.031 0.845 4.363 480 2HG1 ILE 62 1HG1 ILE 62 -1.283 -0.150 5.098 481 1HG2 ILE 62 1HG2 ILE 62 -1.233 2.660 2.529 482 2HG2 ILE 62 2HG2 ILE 62 -0.384 3.088 4.015 483 3HG2 ILE 62 3HG2 ILE 62 -1.985 3.755 3.689 484 1HD1 ILE 62 1HD1 ILE 62 -0.920 -1.355 3.219 485 2HD1 ILE 62 2HD1 ILE 62 -0.424 0.050 2.277 486 3HD1 ILE 62 3HD1 ILE 62 -2.135 -0.244 2.588 487 H ASN 63 H ASN 63 -0.863 0.836 7.364 488 HA ASN 63 HA ASN 63 1.297 2.724 7.348 489 1HB ASN 63 2HB ASN 63 1.157 3.319 9.730 490 2HB ASN 63 1HB ASN 63 -0.255 3.879 8.846 491 1HD2 ASN 63 1HD2 ASN 63 -2.244 2.931 9.216 492 2HD2 ASN 63 2HD2 ASN 63 -2.545 1.921 10.586 493 H CYS 64 H CYS 64 1.825 0.405 6.572 494 HA CYS 64 HA CYS 64 2.937 -1.057 8.873 495 1HB CYS 64 2HB CYS 64 0.892 -2.052 7.419 496 2HB CYS 64 1HB CYS 64 2.249 -2.635 6.460 497 HG CYS 64 HG CYS 64 3.072 -3.972 8.530 498 H ALA 65 H ALA 65 4.957 -2.014 8.573 499 HA ALA 65 HA ALA 65 6.570 -0.772 6.516 500 1HB ALA 65 1HB ALA 65 7.296 -2.557 8.829 501 2HB ALA 65 2HB ALA 65 7.474 -0.805 8.734 502 3HB ALA 65 3HB ALA 65 8.462 -1.849 7.711 503 H ILE 66 H ILE 66 7.470 -1.737 4.772 504 HA ILE 66 HA ILE 66 6.793 -4.568 4.332 505 HB ILE 66 HB ILE 66 7.267 -4.010 1.889 506 1HG1 ILE 66 2HG1 ILE 66 6.559 -1.196 2.415 507 2HG1 ILE 66 1HG1 ILE 66 8.206 -1.659 2.840 508 1HG2 ILE 66 1HG2 ILE 66 5.046 -4.375 2.232 509 2HG2 ILE 66 2HG2 ILE 66 4.983 -2.665 1.807 510 3HG2 ILE 66 3HG2 ILE 66 4.927 -3.155 3.500 511 1HD1 ILE 66 1HD1 ILE 66 8.530 -1.053 0.679 512 2HD1 ILE 66 2HD1 ILE 66 6.898 -1.510 0.189 513 3HD1 ILE 66 3HD1 ILE 66 8.126 -2.755 0.438 514 H VAL 67 H VAL 67 8.434 -5.908 4.639 515 HA VAL 67 HA VAL 67 11.163 -4.943 4.160 516 HB VAL 67 HB VAL 67 11.765 -7.160 5.351 517 1HG1 VAL 67 1HG1 VAL 67 11.838 -6.060 7.425 518 2HG1 VAL 67 2HG1 VAL 67 10.401 -5.103 7.063 519 3HG1 VAL 67 3HG1 VAL 67 11.916 -4.774 6.221 520 1HG2 VAL 67 1HG2 VAL 67 8.934 -6.836 6.339 521 2HG2 VAL 67 2HG2 VAL 67 10.110 -8.040 6.865 522 3HG2 VAL 67 3HG2 VAL 67 9.469 -8.092 5.223 523 H ARG 68 H ARG 68 12.708 -6.574 3.280 524 HA ARG 68 HA ARG 68 12.137 -7.312 0.715 525 1HB ARG 68 2HB ARG 68 14.398 -7.273 1.679 526 2HB ARG 68 1HB ARG 68 14.033 -8.728 2.596 527 1HG ARG 68 2HG ARG 68 13.434 -9.462 0.017 528 2HG ARG 68 1HG ARG 68 14.845 -8.422 -0.178 529 1HD ARG 68 2HD ARG 68 14.976 -10.399 2.010 530 2HD ARG 68 1HD ARG 68 14.992 -11.054 0.374 531 HE ARG 68 HE ARG 68 16.846 -8.894 0.773 532 1HH1 ARG 68 2HH1 ARG 68 16.365 -12.339 1.050 533 2HH1 ARG 68 1HH1 ARG 68 18.055 -12.708 0.956 534 1HH2 ARG 68 1HH2 ARG 68 19.068 -9.377 0.648 535 2HH2 ARG 68 2HH2 ARG 68 19.590 -11.027 0.729 536 H GLY 69 H GLY 69 10.215 -8.378 0.327 537 1HA GLY 69 2HA GLY 69 10.101 -11.099 0.238 538 2HA GLY 69 1HA GLY 69 9.482 -10.720 1.835 539 H VAL 70 H VAL 70 8.358 -8.115 0.538 540 HA VAL 70 HA VAL 70 5.846 -9.383 -0.199 541 HB VAL 70 HB VAL 70 6.628 -6.645 0.684 542 1HG1 VAL 70 1HG1 VAL 70 4.115 -6.099 0.100 543 2HG1 VAL 70 2HG1 VAL 70 4.417 -7.245 -1.206 544 3HG1 VAL 70 3HG1 VAL 70 5.414 -5.800 -1.054 545 1HG2 VAL 70 1HG2 VAL 70 4.057 -7.858 1.418 546 2HG2 VAL 70 2HG2 VAL 70 5.284 -7.088 2.429 547 3HG2 VAL 70 3HG2 VAL 70 5.491 -8.762 1.914 548 H LYS 71 H LYS 71 5.310 -9.762 -2.214 549 HA LYS 71 HA LYS 71 6.565 -8.175 -4.352 550 1HB LYS 71 2HB LYS 71 7.052 -10.635 -4.313 551 2HB LYS 71 1HB LYS 71 5.339 -10.930 -4.574 552 1HG LYS 71 2HG LYS 71 6.022 -11.037 -6.723 553 2HG LYS 71 1HG LYS 71 5.782 -9.292 -6.626 554 1HD LYS 71 2HD LYS 71 8.117 -8.920 -6.265 555 2HD LYS 71 1HD LYS 71 8.417 -10.651 -6.087 556 1HE LYS 71 2HE LYS 71 7.552 -10.887 -8.465 557 2HE LYS 71 1HE LYS 71 7.674 -9.133 -8.575 558 1HZ LYS 71 1HZ LYS 71 9.652 -10.211 -9.439 559 2HZ LYS 71 2HZ LYS 71 9.912 -10.986 -7.959 560 3HZ LYS 71 3HZ LYS 71 10.031 -9.302 -8.063 561 H TYR 72 H TYR 72 5.234 -6.642 -5.041 562 HA TYR 72 HA TYR 72 2.530 -6.397 -4.640 563 1HB TYR 72 2HB TYR 72 4.528 -5.167 -6.375 564 2HB TYR 72 1HB TYR 72 2.928 -5.163 -7.098 565 HD1 TYR 72 HD1 TYR 72 2.841 -2.717 -7.007 566 HD2 TYR 72 HD2 TYR 72 3.275 -5.036 -3.463 567 HE1 TYR 72 HE1 TYR 72 2.255 -0.749 -5.653 568 HE2 TYR 72 HE2 TYR 72 2.688 -3.080 -2.103 569 HH TYR 72 HH TYR 72 1.544 -0.971 -2.305 570 H ASN 73 H ASN 73 1.084 -7.937 -5.068 571 HA ASN 73 HA ASN 73 1.219 -9.414 -7.582 572 1HB ASN 73 2HB ASN 73 0.350 -10.029 -4.938 573 2HB ASN 73 1HB ASN 73 -1.039 -10.184 -6.010 574 1HD2 ASN 73 1HD2 ASN 73 -0.262 -11.236 -8.223 575 2HD2 ASN 73 2HD2 ASN 73 0.582 -12.729 -8.011 576 H GLN 74 H GLN 74 0.566 -7.827 -9.048 577 HA GLN 74 HA GLN 74 -1.669 -6.173 -8.805 578 1HB GLN 74 2HB GLN 74 0.125 -5.917 -10.506 579 2HB GLN 74 1HB GLN 74 -0.517 -7.317 -11.355 580 1HG GLN 74 2HG GLN 74 -1.791 -5.926 -12.508 581 2HG GLN 74 1HG GLN 74 -2.702 -5.635 -11.028 582 1HE2 GLN 74 1HE2 GLN 74 -2.880 -3.601 -10.446 583 2HE2 GLN 74 2HE2 GLN 74 -1.802 -2.317 -10.867 584 H ALA 75 H ALA 75 -3.423 -7.319 -7.988 585 HA ALA 75 HA ALA 75 -4.435 -9.725 -8.990 586 1HB ALA 75 1HB ALA 75 -5.469 -7.542 -7.285 587 2HB ALA 75 2HB ALA 75 -5.401 -9.279 -6.990 588 3HB ALA 75 3HB ALA 75 -6.664 -8.610 -8.021 589 H THR 76 H THR 76 -5.187 -6.374 -9.848 590 HA THR 76 HA THR 76 -6.246 -7.306 -12.402 591 HB THR 76 HB THR 76 -8.325 -6.270 -12.233 592 HG1 THR 76 HG1 THR 76 -8.787 -4.624 -10.856 593 1HG2 THR 76 1HG2 THR 76 -9.430 -7.179 -10.445 594 2HG2 THR 76 2HG2 THR 76 -8.107 -6.856 -9.323 595 3HG2 THR 76 3HG2 THR 76 -7.969 -8.166 -10.496 596 HA PRO 77 HA PRO 77 -4.432 -3.828 -14.409 597 1HB PRO 77 2HB PRO 77 -7.119 -2.592 -14.823 598 2HB PRO 77 1HB PRO 77 -5.825 -2.888 -15.990 599 1HG PRO 77 2HG PRO 77 -7.962 -4.463 -15.936 600 2HG PRO 77 1HG PRO 77 -6.345 -5.145 -16.194 601 1HD PRO 77 2HD PRO 77 -8.056 -5.190 -13.752 602 2HD PRO 77 1HD PRO 77 -6.943 -6.426 -14.373 603 H ASN 78 H ASN 78 -6.833 -3.168 -11.959 604 HA ASN 78 HA ASN 78 -5.263 -0.844 -11.109 605 1HB ASN 78 2HB ASN 78 -7.951 -0.782 -12.146 606 2HB ASN 78 1HB ASN 78 -7.948 -0.251 -10.469 607 1HD2 ASN 78 1HD2 ASN 78 -8.340 1.872 -10.854 608 2HD2 ASN 78 2HD2 ASN 78 -7.227 2.922 -11.656 609 H PHE 79 H PHE 79 -4.710 -3.046 -9.866 610 HA PHE 79 HA PHE 79 -5.768 -2.660 -7.223 611 1HB PHE 79 2HB PHE 79 -7.208 -4.408 -8.716 612 2HB PHE 79 1HB PHE 79 -6.018 -5.495 -8.010 613 HD1 PHE 79 HD1 PHE 79 -6.039 -6.007 -5.672 614 HD2 PHE 79 HD2 PHE 79 -8.772 -3.177 -7.295 615 HE1 PHE 79 HE1 PHE 79 -7.346 -6.080 -3.587 616 HE2 PHE 79 HE2 PHE 79 -10.083 -3.245 -5.215 617 HZ PHE 79 HZ PHE 79 -9.372 -4.698 -3.358 618 H HIS 80 H HIS 80 -3.964 -2.612 -6.061 619 HA HIS 80 HA HIS 80 -1.812 -4.509 -6.708 620 1HB HIS 80 2HB HIS 80 -1.802 -1.751 -5.561 621 2HB HIS 80 1HB HIS 80 -0.487 -2.854 -5.169 622 HD1 HIS 80 HD1 HIS 80 0.591 -0.636 -6.633 623 HD2 HIS 80 HD2 HIS 80 -1.311 -3.722 -8.662 624 HE1 HIS 80 HE1 HIS 80 1.410 -0.489 -9.002 625 HE2 HIS 80 HE2 HIS 80 0.323 -2.424 -10.190 626 H GLN 81 H GLN 81 -2.097 -6.278 -5.511 627 HA GLN 81 HA GLN 81 -2.669 -5.938 -2.641 628 1HB GLN 81 2HB GLN 81 -4.504 -7.089 -3.517 629 2HB GLN 81 1HB GLN 81 -3.514 -8.012 -4.639 630 1HG GLN 81 2HG GLN 81 -2.839 -8.566 -1.877 631 2HG GLN 81 1HG GLN 81 -4.534 -8.885 -2.228 632 1HE2 GLN 81 1HE2 GLN 81 -1.263 -9.817 -2.814 633 2HE2 GLN 81 2HE2 GLN 81 -1.608 -11.266 -3.689 634 H TRP 82 H TRP 82 -1.168 -6.591 -1.236 635 HA TRP 82 HA TRP 82 0.779 -8.618 -2.095 636 1HB TRP 82 2HB TRP 82 2.578 -7.394 -0.916 637 2HB TRP 82 1HB TRP 82 1.965 -6.523 -2.307 638 HD1 TRP 82 HD1 TRP 82 2.373 -6.273 1.433 639 HE1 TRP 82 HE1 TRP 82 1.636 -3.937 2.217 640 HE3 TRP 82 HE3 TRP 82 0.203 -4.611 -2.889 641 HZ2 TRP 82 HZ2 TRP 82 0.310 -1.689 1.150 642 HZ3 TRP 82 HZ3 TRP 82 -0.777 -2.355 -2.921 643 HH2 TRP 82 HH2 TRP 82 -0.721 -0.926 -0.942 644 H ARG 83 H ARG 83 1.520 -9.998 -0.549 645 HA ARG 83 HA ARG 83 0.195 -9.840 2.078 646 1HB ARG 83 2HB ARG 83 -0.490 -11.798 0.776 647 2HB ARG 83 1HB ARG 83 1.191 -12.260 0.554 648 1HG ARG 83 2HG ARG 83 1.065 -12.145 3.249 649 2HG ARG 83 1HG ARG 83 -0.586 -12.632 2.863 650 1HD ARG 83 2HD ARG 83 0.709 -14.616 3.164 651 2HD ARG 83 1HD ARG 83 0.364 -14.452 1.444 652 HE ARG 83 HE ARG 83 2.607 -14.183 1.047 653 1HH1 ARG 83 2HH1 ARG 83 2.005 -13.865 4.470 654 2HH1 ARG 83 1HH1 ARG 83 3.685 -13.865 4.892 655 1HH2 ARG 83 1HH2 ARG 83 4.815 -14.182 1.599 656 2HH2 ARG 83 2HH2 ARG 83 5.280 -14.045 3.262 657 H ASP 84 H ASP 84 1.576 -9.124 3.586 658 HA ASP 84 HA ASP 84 4.421 -9.586 3.215 659 1HB ASP 84 2HB ASP 84 3.789 -7.320 3.689 660 2HB ASP 84 1HB ASP 84 2.918 -7.807 5.129 661 H ALA 85 H ALA 85 3.347 -9.182 6.484 662 HA ALA 85 HA ALA 85 4.756 -11.411 7.406 663 1HB ALA 85 1HB ALA 85 3.398 -11.054 9.523 664 2HB ALA 85 2HB ALA 85 2.606 -9.732 8.666 665 3HB ALA 85 3HB ALA 85 4.347 -9.683 8.948 666 H ARG 86 H ARG 86 1.242 -11.042 7.714 667 HA ARG 86 HA ARG 86 0.875 -13.787 6.766 668 1HB ARG 86 2HB ARG 86 1.030 -14.074 9.145 669 2HB ARG 86 1HB ARG 86 -0.078 -12.741 9.433 670 1HG ARG 86 2HG ARG 86 -1.881 -14.035 9.179 671 2HG ARG 86 1HG ARG 86 -1.213 -14.848 7.763 672 1HD ARG 86 2HD ARG 86 -1.588 -16.399 9.627 673 2HD ARG 86 1HD ARG 86 0.113 -16.296 9.186 674 HE ARG 86 HE ARG 86 -1.129 -15.224 11.613 675 1HH1 ARG 86 2HH1 ARG 86 1.763 -15.820 9.737 676 2HH1 ARG 86 1HH1 ARG 86 2.828 -15.527 11.066 677 1HH2 ARG 86 1HH2 ARG 86 0.280 -14.840 13.353 678 2HH2 ARG 86 2HH2 ARG 86 1.991 -14.971 13.115 679 H GLN 87 H GLN 87 -0.188 -10.565 6.980 680 HA GLN 87 HA GLN 87 -2.848 -11.266 5.973 681 1HB GLN 87 2HB GLN 87 -3.595 -9.125 6.625 682 2HB GLN 87 1HB GLN 87 -2.575 -9.675 7.944 683 1HG GLN 87 2HG GLN 87 -1.589 -7.861 5.758 684 2HG GLN 87 1HG GLN 87 -2.310 -7.271 7.253 685 1HE2 GLN 87 1HE2 GLN 87 0.506 -7.491 5.874 686 2HE2 GLN 87 2HE2 GLN 87 1.532 -7.873 7.211 687 H VAL 88 H VAL 88 -3.597 -9.280 4.443 688 HA VAL 88 HA VAL 88 -1.483 -8.821 2.466 689 HB VAL 88 HB VAL 88 -4.210 -9.520 1.465 690 1HG1 VAL 88 1HG1 VAL 88 -2.334 -8.567 0.057 691 2HG1 VAL 88 2HG1 VAL 88 -3.075 -10.055 -0.532 692 3HG1 VAL 88 3HG1 VAL 88 -1.512 -10.111 0.282 693 1HG2 VAL 88 1HG2 VAL 88 -3.102 -11.895 1.159 694 2HG2 VAL 88 2HG2 VAL 88 -3.991 -11.485 2.624 695 3HG2 VAL 88 3HG2 VAL 88 -2.228 -11.422 2.615 696 H TRP 89 H TRP 89 -1.437 -6.793 1.749 697 HA TRP 89 HA TRP 89 -3.648 -5.029 2.506 698 1HB TRP 89 2HB TRP 89 -0.748 -4.537 1.883 699 2HB TRP 89 1HB TRP 89 -1.913 -3.220 1.964 700 HD1 TRP 89 HD1 TRP 89 -0.174 -5.824 4.182 701 HE1 TRP 89 HE1 TRP 89 -0.385 -5.076 6.634 702 HE3 TRP 89 HE3 TRP 89 -3.316 -1.842 3.549 703 HZ2 TRP 89 HZ2 TRP 89 -1.709 -3.061 8.109 704 HZ3 TRP 89 HZ3 TRP 89 -4.004 -0.556 5.530 705 HH2 TRP 89 HH2 TRP 89 -3.222 -1.154 7.761 706 H GLY 90 H GLY 90 -5.118 -5.154 0.878 707 1HA GLY 90 2HA GLY 90 -4.335 -5.097 -1.895 708 2HA GLY 90 1HA GLY 90 -5.972 -5.059 -1.273 709 H LEU 91 H LEU 91 -5.065 -3.462 -3.417 710 HA LEU 91 HA LEU 91 -5.658 -0.839 -2.300 711 1HB LEU 91 2HB LEU 91 -3.039 -1.614 -3.232 712 2HB LEU 91 1HB LEU 91 -3.674 -0.314 -4.212 713 HG LEU 91 HG LEU 91 -2.379 0.663 -2.478 714 1HD1 LEU 91 1HD1 LEU 91 -3.854 2.285 -2.166 715 2HD1 LEU 91 2HD1 LEU 91 -4.827 1.276 -1.101 716 3HD1 LEU 91 3HD1 LEU 91 -5.087 1.222 -2.842 717 1HD2 LEU 91 1HD2 LEU 91 -2.307 0.016 -0.308 718 2HD2 LEU 91 2HD2 LEU 91 -2.837 -1.512 -1.012 719 3HD2 LEU 91 3HD2 LEU 91 -4.009 -0.429 -0.264 720 H ASN 92 H ASN 92 -7.495 -0.441 -3.401 721 HA ASN 92 HA ASN 92 -7.611 -1.098 -6.251 722 1HB ASN 92 2HB ASN 92 -9.534 -1.472 -4.516 723 2HB ASN 92 1HB ASN 92 -9.850 0.242 -4.770 724 1HD2 ASN 92 1HD2 ASN 92 -9.015 0.179 -7.587 725 2HD2 ASN 92 2HD2 ASN 92 -10.290 -0.625 -8.431 726 H PHE 93 H PHE 93 -6.611 0.332 -7.467 727 HA PHE 93 HA PHE 93 -6.382 3.097 -6.820 728 1HB PHE 93 2HB PHE 93 -5.791 1.708 -9.433 729 2HB PHE 93 1HB PHE 93 -5.193 3.277 -8.916 730 HD1 PHE 93 HD1 PHE 93 -3.542 3.429 -7.074 731 HD2 PHE 93 HD2 PHE 93 -4.787 -0.302 -8.693 732 HE1 PHE 93 HE1 PHE 93 -1.620 2.334 -6.016 733 HE2 PHE 93 HE2 PHE 93 -2.858 -1.405 -7.643 734 HZ PHE 93 HZ PHE 93 -1.276 -0.083 -6.299 735 H GLY 94 H GLY 94 -7.008 4.849 -8.261 736 1HA GLY 94 2HA GLY 94 -9.793 4.501 -9.092 737 2HA GLY 94 1HA GLY 94 -8.969 6.033 -8.840 738 H SER 95 H SER 95 -6.655 5.281 -10.448 739 HA SER 95 HA SER 95 -7.821 5.031 -13.126 740 1HB SER 95 2HB SER 95 -6.533 7.414 -11.989 741 2HB SER 95 1HB SER 95 -5.859 6.912 -13.539 742 HG SER 95 HG SER 95 -7.568 7.704 -14.441 743 H LYS 96 H LYS 96 -6.247 4.494 -14.786 744 HA LYS 96 HA LYS 96 -4.515 2.440 -14.032 745 1HB LYS 96 2HB LYS 96 -3.596 2.683 -16.373 746 2HB LYS 96 1HB LYS 96 -5.336 2.457 -16.261 747 1HG LYS 96 2HG LYS 96 -5.772 4.702 -16.784 748 2HG LYS 96 1HG LYS 96 -4.099 5.180 -16.488 749 1HD LYS 96 2HD LYS 96 -5.048 3.386 -18.722 750 2HD LYS 96 1HD LYS 96 -4.610 5.087 -18.886 751 1HE LYS 96 2HE LYS 96 -2.564 4.332 -19.377 752 2HE LYS 96 1HE LYS 96 -2.408 4.032 -17.648 753 1HZ LYS 96 1HZ LYS 96 -3.089 2.110 -19.788 754 2HZ LYS 96 2HZ LYS 96 -3.420 1.777 -18.163 755 3HZ LYS 96 3HZ LYS 96 -1.825 2.032 -18.665 756 H GLU 97 H GLU 97 -3.986 5.868 -14.312 757 HA GLU 97 HA GLU 97 -1.153 5.804 -14.429 758 1HB GLU 97 2HB GLU 97 -3.220 7.873 -13.861 759 2HB GLU 97 1HB GLU 97 -1.567 8.211 -13.365 760 1HG GLU 97 2HG GLU 97 -1.026 7.472 -15.827 761 2HG GLU 97 1HG GLU 97 -2.711 7.917 -16.091 762 H ASP 98 H ASP 98 -3.428 6.266 -11.731 763 HA ASP 98 HA ASP 98 -1.612 6.639 -9.678 764 1HB ASP 98 2HB ASP 98 -4.204 5.083 -9.512 765 2HB ASP 98 1HB ASP 98 -3.353 5.834 -8.166 766 H ALA 99 H ALA 99 -3.153 3.539 -10.533 767 HA ALA 99 HA ALA 99 -1.688 1.866 -8.921 768 1HB ALA 99 1HB ALA 99 -3.672 1.354 -10.472 769 2HB ALA 99 2HB ALA 99 -2.470 0.091 -10.206 770 3HB ALA 99 3HB ALA 99 -2.442 1.034 -11.696 771 H ALA 100 H ALA 100 -0.726 3.361 -11.932 772 HA ALA 100 HA ALA 100 1.585 1.717 -12.330 773 1HB ALA 100 1HB ALA 100 0.971 4.429 -13.497 774 2HB ALA 100 2HB ALA 100 0.447 2.888 -14.177 775 3HB ALA 100 3HB ALA 100 2.166 3.274 -14.088 776 H GLN 101 H GLN 101 0.932 4.799 -10.772 777 HA GLN 101 HA GLN 101 3.677 5.471 -10.347 778 1HB GLN 101 2HB GLN 101 1.696 7.073 -10.421 779 2HB GLN 101 1HB GLN 101 1.318 6.527 -8.793 780 1HG GLN 101 2HG GLN 101 2.551 8.603 -8.730 781 2HG GLN 101 1HG GLN 101 3.505 7.298 -8.026 782 1HE2 GLN 101 1HE2 GLN 101 5.164 6.341 -9.364 783 2HE2 GLN 101 2HE2 GLN 101 5.965 7.309 -10.550 784 H PHE 102 H PHE 102 1.116 4.062 -8.345 785 HA PHE 102 HA PHE 102 2.416 3.950 -5.911 786 1HB PHE 102 2HB PHE 102 -0.001 3.237 -6.628 787 2HB PHE 102 1HB PHE 102 0.715 1.648 -6.798 788 HD1 PHE 102 HD1 PHE 102 -0.051 0.351 -5.038 789 HD2 PHE 102 HD2 PHE 102 1.286 4.327 -4.286 790 HE1 PHE 102 HE1 PHE 102 -0.332 -0.008 -2.623 791 HE2 PHE 102 HE2 PHE 102 1.010 3.967 -1.870 792 HZ PHE 102 HZ PHE 102 0.198 1.798 -1.034 793 H ALA 103 H ALA 103 2.445 1.490 -8.495 794 HA ALA 103 HA ALA 103 4.201 -0.289 -7.185 795 1HB ALA 103 1HB ALA 103 3.202 -1.369 -8.912 796 2HB ALA 103 2HB ALA 103 4.680 -0.882 -9.743 797 3HB ALA 103 3HB ALA 103 3.201 0.058 -9.948 798 H ALA 104 H ALA 104 4.711 2.541 -9.165 799 HA ALA 104 HA ALA 104 7.303 2.330 -9.995 800 1HB ALA 104 1HB ALA 104 6.315 4.871 -8.739 801 2HB ALA 104 2HB ALA 104 5.655 4.276 -10.264 802 3HB ALA 104 3HB ALA 104 7.371 4.664 -10.138 803 H GLY 105 H GLY 105 6.417 3.965 -6.956 804 1HA GLY 105 2HA GLY 105 9.071 3.910 -5.935 805 2HA GLY 105 1HA GLY 105 7.622 4.261 -5.010 806 H MET 106 H MET 106 6.210 1.935 -5.269 807 HA MET 106 HA MET 106 7.156 0.356 -3.233 808 1HB MET 106 2HB MET 106 4.868 0.200 -4.029 809 2HB MET 106 1HB MET 106 5.419 -0.459 -5.565 810 1HG MET 106 2HG MET 106 4.690 -2.310 -4.370 811 2HG MET 106 1HG MET 106 6.437 -2.344 -4.197 812 1HE MET 106 1HE MET 106 6.379 -3.665 -1.071 813 2HE MET 106 2HE MET 106 5.913 -4.037 -2.732 814 3HE MET 106 3HE MET 106 4.688 -3.977 -1.463 815 H ALA 107 H ALA 107 7.287 -0.473 -6.685 816 HA ALA 107 HA ALA 107 8.798 -2.748 -6.600 817 1HB ALA 107 1HB ALA 107 8.041 -2.162 -8.718 818 2HB ALA 107 2HB ALA 107 9.778 -1.882 -8.836 819 3HB ALA 107 3HB ALA 107 8.679 -0.521 -8.602 820 H SER 108 H SER 108 9.882 0.594 -6.367 821 HA SER 108 HA SER 108 12.660 0.094 -6.413 822 1HB SER 108 2HB SER 108 11.330 2.349 -6.567 823 2HB SER 108 1HB SER 108 11.475 2.341 -4.810 824 HG SER 108 HG SER 108 13.292 3.324 -5.377 825 H ALA 109 H ALA 109 10.238 0.069 -3.862 826 HA ALA 109 HA ALA 109 12.034 -0.133 -1.671 827 1HB ALA 109 1HB ALA 109 9.157 -0.319 -2.091 828 2HB ALA 109 2HB ALA 109 10.057 0.295 -0.707 829 3HB ALA 109 3HB ALA 109 9.734 -1.435 -0.851 830 H LEU 110 H LEU 110 10.413 -2.477 -3.713 831 HA LEU 110 HA LEU 110 11.381 -4.769 -2.292 832 1HB LEU 110 2HB LEU 110 10.530 -5.140 -5.087 833 2HB LEU 110 1HB LEU 110 10.029 -5.986 -3.637 834 HG LEU 110 HG LEU 110 8.995 -3.321 -4.609 835 1HD1 LEU 110 1HD1 LEU 110 7.404 -5.815 -4.175 836 2HD1 LEU 110 2HD1 LEU 110 8.247 -5.520 -5.696 837 3HD1 LEU 110 3HD1 LEU 110 7.010 -4.392 -5.141 838 1HD2 LEU 110 1HD2 LEU 110 7.734 -4.725 -2.333 839 2HD2 LEU 110 2HD2 LEU 110 7.879 -3.000 -2.663 840 3HD2 LEU 110 3HD2 LEU 110 9.255 -3.891 -2.014 841 H GLU 111 H GLU 111 12.529 -2.792 -4.898 842 HA GLU 111 HA GLU 111 14.449 -4.703 -5.875 843 1HB GLU 111 2HB GLU 111 13.342 -2.281 -6.778 844 2HB GLU 111 1HB GLU 111 15.068 -1.993 -6.611 845 1HG GLU 111 2HG GLU 111 15.599 -3.754 -8.079 846 2HG GLU 111 1HG GLU 111 13.946 -4.358 -8.058 847 H ALA 112 H ALA 112 14.339 -2.315 -3.431 848 HA ALA 112 HA ALA 112 17.263 -2.364 -3.111 849 1HB ALA 112 1HB ALA 112 15.166 -0.389 -2.481 850 2HB ALA 112 2HB ALA 112 16.856 -0.147 -2.926 851 3HB ALA 112 3HB ALA 112 16.433 -0.569 -1.266 852 H LEU 113 H LEU 113 14.537 -3.888 -2.144 853 HA LEU 113 HA LEU 113 15.235 -4.268 0.636 854 1HB LEU 113 2HB LEU 113 12.947 -4.692 -1.120 855 2HB LEU 113 1HB LEU 113 13.213 -6.024 -0.033 856 HG LEU 113 HG LEU 113 12.698 -3.154 0.704 857 1HD1 LEU 113 1HD1 LEU 113 11.118 -5.666 0.754 858 2HD1 LEU 113 2HD1 LEU 113 10.623 -4.022 0.352 859 3HD1 LEU 113 3HD1 LEU 113 10.860 -4.484 2.037 860 1HD2 LEU 113 1HD2 LEU 113 12.652 -4.397 3.067 861 2HD2 LEU 113 2HD2 LEU 113 14.098 -3.625 2.420 862 3HD2 LEU 113 3HD2 LEU 113 13.883 -5.368 2.262 863 H GLU 114 H GLU 114 15.307 -5.998 -2.423 864 HA GLU 114 HA GLU 114 16.559 -8.307 -1.105 865 1HB GLU 114 2HB GLU 114 15.586 -8.186 -3.957 866 2HB GLU 114 1HB GLU 114 15.956 -9.614 -3.001 867 1HG GLU 114 2HG GLU 114 13.968 -9.570 -1.903 868 2HG GLU 114 1HG GLU 114 13.818 -7.817 -2.011 869 H GLY 115 HN GLY 115 17.048 -5.805 -3.505 870 1HA GLY 115 2HA GLY 115 19.410 -6.846 -4.669 871 2HA GLY 115 1HA GLY 115 18.901 -5.165 -4.703 Start of MODEL 4 1 1H MET 1 1H MET 1 14.291 12.379 14.022 2 2H MET 1 2H MET 1 14.321 13.391 12.636 3 3H MET 1 3H MET 1 14.892 11.776 12.534 4 HA MET 1 HA MET 1 12.783 10.893 12.787 5 1HB MET 1 2HB MET 1 12.175 13.678 13.701 6 2HB MET 1 1HB MET 1 10.880 12.705 13.016 7 1HG MET 1 2HG MET 1 12.512 11.399 15.090 8 2HG MET 1 1HG MET 1 11.510 12.747 15.624 9 1HE MET 1 1HE MET 1 9.308 12.175 16.697 10 2HE MET 1 2HE MET 1 8.030 11.466 15.708 11 3HE MET 1 3HE MET 1 8.902 12.889 15.136 12 H SER 2 H SER 2 10.667 11.585 11.380 13 HA SER 2 HA SER 2 9.857 11.895 9.279 14 1HB SER 2 2HB SER 2 11.756 14.138 9.646 15 2HB SER 2 1HB SER 2 11.294 13.785 7.981 16 HG SER 2 HG SER 2 9.399 14.085 10.061 17 H GLU 3 H GLU 3 10.110 10.331 7.841 18 HA GLU 3 HA GLU 3 12.788 9.489 7.059 19 1HB GLU 3 2HB GLU 3 10.174 8.246 6.211 20 2HB GLU 3 1HB GLU 3 11.770 7.523 6.164 21 1HG GLU 3 2HG GLU 3 10.786 6.515 7.991 22 2HG GLU 3 1HG GLU 3 11.755 7.795 8.714 23 H THR 4 H THR 4 12.383 8.492 4.555 24 HA THR 4 HA THR 4 11.882 10.931 2.980 25 HB THR 4 HB THR 4 13.783 8.644 2.427 26 HG1 THR 4 HG1 THR 4 15.313 9.949 3.113 27 1HG2 THR 4 1HG2 THR 4 13.443 9.263 0.286 28 2HG2 THR 4 2HG2 THR 4 14.591 10.527 0.732 29 3HG2 THR 4 3HG2 THR 4 12.861 10.870 0.723 30 H VAL 5 H VAL 5 9.839 10.699 2.233 31 HA VAL 5 HA VAL 5 8.598 8.278 1.571 32 HB VAL 5 HB VAL 5 8.006 11.100 0.682 33 1HG1 VAL 5 1HG1 VAL 5 6.515 8.558 0.077 34 2HG1 VAL 5 2HG1 VAL 5 7.105 9.772 -1.057 35 3HG1 VAL 5 3HG1 VAL 5 5.761 10.149 0.018 36 1HG2 VAL 5 1HG2 VAL 5 6.090 9.626 2.336 37 2HG2 VAL 5 2HG2 VAL 5 6.710 11.270 2.504 38 3HG2 VAL 5 3HG2 VAL 5 7.651 9.907 3.109 39 H ILE 6 H ILE 6 8.017 7.431 -0.527 40 HA ILE 6 HA ILE 6 10.150 7.899 -2.494 41 HB ILE 6 HB ILE 6 8.340 5.549 -2.728 42 1HG1 ILE 6 2HG1 ILE 6 10.284 6.034 -0.514 43 2HG1 ILE 6 1HG1 ILE 6 8.760 5.167 -0.492 44 1HG2 ILE 6 1HG2 ILE 6 11.302 5.529 -3.018 45 2HG2 ILE 6 2HG2 ILE 6 10.322 6.336 -4.244 46 3HG2 ILE 6 3HG2 ILE 6 10.072 4.624 -3.903 47 1HD1 ILE 6 1HD1 ILE 6 10.813 3.782 -0.159 48 2HD1 ILE 6 2HD1 ILE 6 11.221 4.102 -1.840 49 3HD1 ILE 6 3HD1 ILE 6 9.735 3.237 -1.442 50 H CYS 7 H CYS 7 6.784 6.721 -2.734 51 HA CYS 7 HA CYS 7 6.339 8.699 -4.861 52 1HB CYS 7 2HB CYS 7 6.542 5.871 -5.184 53 2HB CYS 7 1HB CYS 7 4.878 6.342 -5.503 54 HG CYS 7 HG CYS 7 7.300 7.483 -7.090 55 H SER 8 H SER 8 3.794 8.202 -5.552 56 HA SER 8 HA SER 8 2.108 7.862 -3.231 57 1HB SER 8 2HB SER 8 1.497 10.452 -4.440 58 2HB SER 8 1HB SER 8 1.633 10.010 -2.740 59 HG SER 8 HG SER 8 3.660 10.826 -4.526 60 H SER 9 H SER 9 0.241 6.968 -3.858 61 HA SER 9 HA SER 9 -0.777 7.591 -6.545 62 1HB SER 9 2HB SER 9 0.347 5.493 -6.841 63 2HB SER 9 1HB SER 9 -0.396 4.829 -5.386 64 HG SER 9 HG SER 9 -1.505 4.099 -7.205 65 H ARG 10 H ARG 10 -3.027 7.282 -6.843 66 HA ARG 10 HA ARG 10 -4.551 7.547 -4.360 67 1HB ARG 10 2HB ARG 10 -4.844 9.252 -6.128 68 2HB ARG 10 1HB ARG 10 -5.404 8.001 -7.229 69 1HG ARG 10 2HG ARG 10 -7.271 7.545 -5.634 70 2HG ARG 10 1HG ARG 10 -6.750 8.961 -4.718 71 1HD ARG 10 2HD ARG 10 -7.481 10.426 -6.300 72 2HD ARG 10 1HD ARG 10 -7.177 9.308 -7.629 73 HE ARG 10 HE ARG 10 -9.253 8.183 -6.272 74 1HH1 ARG 10 2HH1 ARG 10 -8.685 11.308 -7.716 75 2HH1 ARG 10 1HH1 ARG 10 -10.355 11.583 -8.081 76 1HH2 ARG 10 1HH2 ARG 10 -11.450 8.542 -6.750 77 2HH2 ARG 10 2HH2 ARG 10 -11.925 10.012 -7.533 78 H ALA 11 H ALA 11 -5.792 5.952 -3.594 79 HA ALA 11 HA ALA 11 -7.164 4.086 -5.252 80 1HB ALA 11 1HB ALA 11 -5.875 2.086 -4.177 81 2HB ALA 11 2HB ALA 11 -4.574 3.265 -4.006 82 3HB ALA 11 3HB ALA 11 -5.217 2.889 -5.601 83 H THR 12 H THR 12 -7.781 2.079 -3.677 84 HA THR 12 HA THR 12 -8.643 3.298 -1.135 85 HB THR 12 HB THR 12 -10.205 1.112 -2.465 86 HG1 THR 12 HG1 THR 12 -10.255 3.859 -3.125 87 1HG2 THR 12 1HG2 THR 12 -11.353 1.466 -0.578 88 2HG2 THR 12 2HG2 THR 12 -11.996 2.857 -1.450 89 3HG2 THR 12 3HG2 THR 12 -10.652 3.065 -0.326 90 H VAL 13 H VAL 13 -7.064 2.456 0.163 91 HA VAL 13 HA VAL 13 -5.826 0.036 0.085 92 HB VAL 13 HB VAL 13 -6.636 1.671 2.481 93 1HG1 VAL 13 1HG1 VAL 13 -4.890 -0.792 2.445 94 2HG1 VAL 13 2HG1 VAL 13 -6.441 -0.616 3.266 95 3HG1 VAL 13 3HG1 VAL 13 -5.048 0.321 3.803 96 1HG2 VAL 13 1HG2 VAL 13 -4.242 1.418 0.735 97 2HG2 VAL 13 2HG2 VAL 13 -4.004 1.834 2.430 98 3HG2 VAL 13 3HG2 VAL 13 -5.004 2.861 1.404 99 H MET 14 H MET 14 -6.090 -1.949 1.193 100 HA MET 14 HA MET 14 -8.693 -2.655 2.231 101 1HB MET 14 2HB MET 14 -8.642 -2.846 -0.391 102 2HB MET 14 1HB MET 14 -7.714 -4.296 -0.084 103 1HG MET 14 2HG MET 14 -9.509 -5.446 0.585 104 2HG MET 14 1HG MET 14 -10.154 -4.092 1.508 105 1HE MET 14 1HE MET 14 -12.146 -3.660 1.286 106 2HE MET 14 2HE MET 14 -13.081 -4.674 0.187 107 3HE MET 14 3HE MET 14 -12.946 -2.941 -0.111 108 H LEU 15 H LEU 15 -8.687 -4.662 3.341 109 HA LEU 15 HA LEU 15 -6.031 -5.883 3.675 110 1HB LEU 15 2HB LEU 15 -7.577 -4.483 5.627 111 2HB LEU 15 1HB LEU 15 -7.512 -6.173 6.088 112 HG LEU 15 HG LEU 15 -5.249 -4.221 5.800 113 1HD1 LEU 15 1HD1 LEU 15 -5.372 -6.143 8.013 114 2HD1 LEU 15 2HD1 LEU 15 -6.706 -4.990 7.952 115 3HD1 LEU 15 3HD1 LEU 15 -5.042 -4.410 8.025 116 1HD2 LEU 15 1HD2 LEU 15 -5.158 -7.202 5.583 117 2HD2 LEU 15 2HD2 LEU 15 -3.820 -6.319 6.319 118 3HD2 LEU 15 3HD2 LEU 15 -4.287 -5.984 4.652 119 H TYR 16 H TYR 16 -6.161 -7.874 2.866 120 HA TYR 16 HA TYR 16 -8.617 -9.283 2.613 121 1HB TYR 16 2HB TYR 16 -6.456 -9.473 1.180 122 2HB TYR 16 1HB TYR 16 -5.944 -10.623 2.408 123 HD1 TYR 16 HD1 TYR 16 -8.358 -9.966 -0.275 124 HD2 TYR 16 HD2 TYR 16 -6.989 -12.784 2.600 125 HE1 TYR 16 HE1 TYR 16 -9.653 -11.725 -1.400 126 HE2 TYR 16 HE2 TYR 16 -8.275 -14.560 1.489 127 HH TYR 16 HH TYR 16 -10.682 -13.968 -0.730 128 H ASP 17 H ASP 17 -9.266 -11.207 3.567 129 HA ASP 17 HA ASP 17 -8.021 -11.805 6.170 130 1HB ASP 17 2HB ASP 17 -10.438 -10.682 5.979 131 2HB ASP 17 1HB ASP 17 -10.919 -12.362 5.754 132 H ASP 18 H ASP 18 -6.777 -13.475 5.275 133 HA ASP 18 HA ASP 18 -7.616 -15.483 3.570 134 1HB ASP 18 2HB ASP 18 -5.741 -16.800 4.415 135 2HB ASP 18 1HB ASP 18 -5.269 -15.116 4.210 136 H GLY 19 H GLY 19 -8.418 -15.012 6.888 137 1HA GLY 19 2HA GLY 19 -8.957 -17.586 7.769 138 2HA GLY 19 1HA GLY 19 -9.834 -16.155 8.288 139 H ASN 20 H ASN 20 -11.054 -15.410 5.913 140 HA ASN 20 HA ASN 20 -12.714 -17.744 5.235 141 1HB ASN 20 2HB ASN 20 -13.651 -14.956 5.930 142 2HB ASN 20 1HB ASN 20 -14.681 -16.174 5.185 143 1HD2 ASN 20 1HD2 ASN 20 -13.105 -15.127 8.068 144 2HD2 ASN 20 2HD2 ASN 20 -13.836 -16.268 9.138 145 H LYS 21 H LYS 21 -10.485 -16.023 3.941 146 HA LYS 21 HA LYS 21 -9.958 -15.174 1.900 147 1HB LYS 21 2HB LYS 21 -11.827 -17.406 1.415 148 2HB LYS 21 1HB LYS 21 -11.553 -16.331 0.051 149 1HG LYS 21 2HG LYS 21 -9.105 -17.149 1.419 150 2HG LYS 21 1HG LYS 21 -10.014 -18.485 0.708 151 1HD LYS 21 2HD LYS 21 -10.135 -16.809 -1.345 152 2HD LYS 21 1HD LYS 21 -8.658 -16.190 -0.604 153 1HE LYS 21 2HE LYS 21 -8.080 -18.783 -0.524 154 2HE LYS 21 1HE LYS 21 -9.193 -18.811 -1.891 155 1HZ LYS 21 1HZ LYS 21 -6.517 -17.733 -1.712 156 2HZ LYS 21 2HZ LYS 21 -7.621 -16.725 -2.503 157 3HZ LYS 21 3HZ LYS 21 -7.368 -18.302 -3.059 158 H ARG 22 H ARG 22 -10.599 -13.036 2.255 159 HA ARG 22 HA ARG 22 -12.394 -11.950 0.414 160 1HB ARG 22 2HB ARG 22 -14.070 -11.054 2.157 161 2HB ARG 22 1HB ARG 22 -14.260 -12.711 1.599 162 1HG ARG 22 2HG ARG 22 -13.869 -13.568 3.628 163 2HG ARG 22 1HG ARG 22 -12.556 -12.437 3.963 164 1HD ARG 22 2HD ARG 22 -14.017 -11.604 5.464 165 2HD ARG 22 1HD ARG 22 -14.666 -10.762 4.059 166 HE ARG 22 HE ARG 22 -15.857 -13.016 5.458 167 1HH1 ARG 22 2HH1 ARG 22 -15.945 -10.890 2.685 168 2HH1 ARG 22 1HH1 ARG 22 -17.595 -11.253 2.309 169 1HH2 ARG 22 1HH2 ARG 22 -18.024 -13.489 4.957 170 2HH2 ARG 22 2HH2 ARG 22 -18.775 -12.723 3.595 171 H TRP 23 H TRP 23 -12.309 -9.696 0.361 172 HA TRP 23 HA TRP 23 -10.048 -8.519 1.609 173 1HB TRP 23 2HB TRP 23 -12.251 -7.522 -0.153 174 2HB TRP 23 1HB TRP 23 -11.223 -6.358 0.670 175 HD1 TRP 23 HD1 TRP 23 -11.476 -7.780 -2.548 176 HE1 TRP 23 HE1 TRP 23 -9.225 -7.951 -3.774 177 HE3 TRP 23 HE3 TRP 23 -8.339 -7.156 1.435 178 HZ2 TRP 23 HZ2 TRP 23 -6.482 -7.828 -3.143 179 HZ3 TRP 23 HZ3 TRP 23 -5.914 -7.189 1.033 180 HH2 TRP 23 HH2 TRP 23 -5.005 -7.518 -1.206 181 H LEU 24 H LEU 24 -10.262 -6.360 2.774 182 HA LEU 24 HA LEU 24 -12.592 -5.888 4.351 183 1HB LEU 24 2HB LEU 24 -10.788 -7.814 5.331 184 2HB LEU 24 1HB LEU 24 -10.517 -6.370 6.287 185 HG LEU 24 HG LEU 24 -13.115 -7.870 5.965 186 1HD1 LEU 24 1HD1 LEU 24 -11.126 -8.540 7.577 187 2HD1 LEU 24 2HD1 LEU 24 -12.813 -8.657 8.079 188 3HD1 LEU 24 3HD1 LEU 24 -11.838 -7.273 8.577 189 1HD2 LEU 24 1HD2 LEU 24 -13.874 -5.693 6.084 190 2HD2 LEU 24 2HD2 LEU 24 -12.517 -5.163 7.079 191 3HD2 LEU 24 3HD2 LEU 24 -13.799 -6.144 7.788 192 HA PRO 25 HA PRO 25 -10.665 -1.870 3.616 193 1HB PRO 25 2HB PRO 25 -12.523 -1.357 5.914 194 2HB PRO 25 1HB PRO 25 -12.227 -0.378 4.472 195 1HG PRO 25 2HG PRO 25 -14.381 -1.942 4.639 196 2HG PRO 25 1HG PRO 25 -13.503 -1.751 3.112 197 1HD PRO 25 2HD PRO 25 -13.617 -4.075 4.940 198 2HD PRO 25 1HD PRO 25 -13.279 -4.023 3.199 199 H ALA 26 H ALA 26 -8.574 -2.308 4.363 200 HA ALA 26 HA ALA 26 -7.736 -2.877 6.918 201 1HB ALA 26 1HB ALA 26 -6.400 -2.686 4.715 202 2HB ALA 26 2HB ALA 26 -5.592 -2.326 6.240 203 3HB ALA 26 3HB ALA 26 -6.148 -1.011 5.205 204 H GLY 27 H GLY 27 -8.590 0.239 5.543 205 1HA GLY 27 2HA GLY 27 -7.584 2.018 7.368 206 2HA GLY 27 1HA GLY 27 -9.130 2.228 6.564 207 H THR 28 H THR 28 -11.029 1.816 7.676 208 HA THR 28 HA THR 28 -11.167 0.478 10.150 209 HB THR 28 HB THR 28 -9.944 2.323 11.072 210 HG1 THR 28 HG1 THR 28 -12.687 2.746 11.642 211 1HG2 THR 28 1HG2 THR 28 -10.133 4.471 10.522 212 2HG2 THR 28 2HG2 THR 28 -11.896 4.421 10.552 213 3HG2 THR 28 3HG2 THR 28 -11.023 3.885 9.116 214 H GLY 29 H GLY 29 -12.540 3.034 8.135 215 1HA GLY 29 2HA GLY 29 -15.139 1.720 8.339 216 2HA GLY 29 1HA GLY 29 -15.056 3.383 8.897 217 HA PRO 30 HA PRO 30 -16.170 4.922 4.920 218 1HB PRO 30 2HB PRO 30 -13.827 6.742 5.294 219 2HB PRO 30 1HB PRO 30 -15.484 7.128 4.812 220 1HG PRO 30 2HG PRO 30 -14.652 7.602 7.295 221 2HG PRO 30 1HG PRO 30 -16.288 6.995 6.983 222 1HD PRO 30 2HD PRO 30 -13.915 5.571 8.075 223 2HD PRO 30 1HD PRO 30 -15.639 5.314 8.405 224 H GLN 31 H GLN 31 -15.368 5.127 2.731 225 HA GLN 31 HA GLN 31 -12.699 4.050 2.231 226 1HB GLN 31 2HB GLN 31 -15.276 2.754 1.445 227 2HB GLN 31 1HB GLN 31 -13.873 2.593 0.397 228 1HG GLN 31 2HG GLN 31 -12.604 1.587 2.173 229 2HG GLN 31 1HG GLN 31 -13.923 1.852 3.310 230 1HE2 GLN 31 1HE2 GLN 31 -12.815 -0.007 0.583 231 2HE2 GLN 31 2HE2 GLN 31 -13.984 -1.272 0.713 232 H ALA 32 H ALA 32 -13.074 6.580 1.861 233 HA ALA 32 HA ALA 32 -13.928 7.080 -0.893 234 1HB ALA 32 1HB ALA 32 -14.392 8.547 1.288 235 2HB ALA 32 2HB ALA 32 -14.244 9.257 -0.320 236 3HB ALA 32 3HB ALA 32 -12.869 9.281 0.785 237 H PHE 33 H PHE 33 -11.746 5.491 -0.825 238 HA PHE 33 HA PHE 33 -9.642 5.244 -1.642 239 1HB PHE 33 2HB PHE 33 -10.370 7.934 -2.758 240 2HB PHE 33 1HB PHE 33 -8.755 7.283 -2.989 241 HD1 PHE 33 HD1 PHE 33 -12.344 6.531 -3.552 242 HD2 PHE 33 HD2 PHE 33 -8.316 5.766 -4.681 243 HE1 PHE 33 HE1 PHE 33 -13.136 5.223 -5.479 244 HE2 PHE 33 HE2 PHE 33 -9.097 4.457 -6.608 245 HZ PHE 33 HZ PHE 33 -11.512 4.184 -7.013 246 H SER 34 H SER 34 -7.387 6.414 -1.673 247 HA SER 34 HA SER 34 -6.913 8.326 0.395 248 1HB SER 34 2HB SER 34 -5.963 5.503 0.937 249 2HB SER 34 1HB SER 34 -5.743 6.915 1.970 250 HG SER 34 HG SER 34 -7.940 5.284 1.643 251 H ARG 35 H ARG 35 -4.753 9.035 0.435 252 HA ARG 35 HA ARG 35 -3.231 8.298 -1.948 253 1HB ARG 35 2HB ARG 35 -3.798 10.737 -1.013 254 2HB ARG 35 1HB ARG 35 -2.315 10.458 -0.112 255 1HG ARG 35 2HG ARG 35 -1.461 11.458 -1.966 256 2HG ARG 35 1HG ARG 35 -1.403 9.773 -2.488 257 1HD ARG 35 2HD ARG 35 -3.013 10.064 -4.041 258 2HD ARG 35 1HD ARG 35 -3.933 11.175 -3.028 259 HE ARG 35 HE ARG 35 -1.665 12.543 -3.802 260 1HH1 ARG 35 2HH1 ARG 35 -4.395 11.046 -5.378 261 2HH1 ARG 35 1HH1 ARG 35 -4.374 12.134 -6.724 262 1HH2 ARG 35 1HH2 ARG 35 -1.636 13.976 -5.571 263 2HH2 ARG 35 2HH2 ARG 35 -2.806 13.797 -6.835 264 H VAL 36 H VAL 36 -2.033 6.514 -1.563 265 HA VAL 36 HA VAL 36 -0.625 6.297 0.987 266 HB VAL 36 HB VAL 36 -0.851 4.208 -1.175 267 1HG1 VAL 36 1HG1 VAL 36 1.041 3.807 0.247 268 2HG1 VAL 36 2HG1 VAL 36 -0.236 2.678 0.695 269 3HG1 VAL 36 3HG1 VAL 36 0.076 4.098 1.692 270 1HG2 VAL 36 1HG2 VAL 36 -2.943 5.143 0.261 271 2HG2 VAL 36 2HG2 VAL 36 -2.342 3.885 1.340 272 3HG2 VAL 36 3HG2 VAL 36 -2.803 3.481 -0.314 273 H GLN 37 H GLN 37 1.351 6.947 1.152 274 HA GLN 37 HA GLN 37 3.088 6.997 -1.218 275 1HB GLN 37 2HB GLN 37 2.984 8.639 1.291 276 2HB GLN 37 1HB GLN 37 4.459 8.562 0.337 277 1HG GLN 37 2HG GLN 37 3.004 9.267 -1.629 278 2HG GLN 37 1HG GLN 37 1.783 9.674 -0.428 279 1HE2 GLN 37 1HE2 GLN 37 4.427 10.763 -2.146 280 2HE2 GLN 37 2HE2 GLN 37 4.769 12.191 -1.238 281 H ILE 38 H ILE 38 5.278 6.227 -0.979 282 HA ILE 38 HA ILE 38 5.455 4.143 1.067 283 HB ILE 38 HB ILE 38 7.148 4.568 -1.399 284 1HG1 ILE 38 2HG1 ILE 38 4.904 2.625 -0.816 285 2HG1 ILE 38 1HG1 ILE 38 4.842 3.977 -1.943 286 1HG2 ILE 38 1HG2 ILE 38 7.065 2.292 0.582 287 2HG2 ILE 38 2HG2 ILE 38 8.402 3.411 0.317 288 3HG2 ILE 38 3HG2 ILE 38 7.945 2.270 -0.946 289 1HD1 ILE 38 1HD1 ILE 38 5.941 1.299 -2.275 290 2HD1 ILE 38 2HD1 ILE 38 7.000 2.590 -2.848 291 3HD1 ILE 38 3HD1 ILE 38 5.358 2.451 -3.477 292 H TYR 39 H TYR 39 7.405 3.824 2.259 293 HA TYR 39 HA TYR 39 8.923 6.316 2.648 294 1HB TYR 39 2HB TYR 39 7.771 4.359 4.580 295 2HB TYR 39 1HB TYR 39 9.267 5.182 5.012 296 HD1 TYR 39 HD1 TYR 39 6.111 6.262 3.316 297 HD2 TYR 39 HD2 TYR 39 8.869 6.900 6.487 298 HE1 TYR 39 HE1 TYR 39 4.831 8.236 4.019 299 HE2 TYR 39 HE2 TYR 39 7.601 8.879 7.202 300 HH TYR 39 HH TYR 39 5.397 9.820 7.013 301 H HIS 40 H HIS 40 10.997 6.211 2.164 302 HA HIS 40 HA HIS 40 12.265 3.583 1.933 303 1HB HIS 40 2HB HIS 40 12.346 5.047 -0.048 304 2HB HIS 40 1HB HIS 40 13.183 6.273 0.891 305 HD1 HIS 40 HD1 HIS 40 14.008 4.115 -1.619 306 HD2 HIS 40 HD2 HIS 40 15.595 4.625 2.187 307 HE1 HIS 40 HE1 HIS 40 16.335 3.169 -1.727 308 HE2 HIS 40 HE2 HIS 40 17.305 3.569 0.563 309 H ASN 41 H ASN 41 12.724 3.187 4.103 310 HA ASN 41 HA ASN 41 14.469 5.072 5.505 311 1HB ASN 41 2HB ASN 41 12.992 2.594 6.406 312 2HB ASN 41 1HB ASN 41 14.146 3.444 7.427 313 1HD2 ASN 41 1HD2 ASN 41 11.324 4.132 5.391 314 2HD2 ASN 41 2HD2 ASN 41 10.604 5.262 6.482 315 HA PRO 42 HA PRO 42 17.694 2.211 4.063 316 1HB PRO 42 2HB PRO 42 19.694 3.954 3.963 317 2HB PRO 42 1HB PRO 42 18.420 3.967 2.740 318 1HG PRO 42 2HG PRO 42 18.765 5.738 5.132 319 2HG PRO 42 1HG PRO 42 18.302 6.175 3.477 320 1HD PRO 42 2HD PRO 42 16.512 5.833 5.535 321 2HD PRO 42 1HD PRO 42 16.110 5.629 3.821 322 H THR 43 H THR 43 17.600 4.285 6.871 323 HA THR 43 HA THR 43 19.935 3.653 8.187 324 HB THR 43 HB THR 43 18.718 4.082 10.281 325 HG1 THR 43 HG1 THR 43 16.788 3.008 9.821 326 1HG2 THR 43 1HG2 THR 43 18.166 5.873 7.959 327 2HG2 THR 43 2HG2 THR 43 19.261 6.108 9.322 328 3HG2 THR 43 3HG2 THR 43 17.519 6.242 9.557 329 H ALA 44 H ALA 44 17.159 1.660 7.601 330 HA ALA 44 HA ALA 44 18.473 -0.545 9.043 331 1HB ALA 44 1HB ALA 44 16.586 0.068 10.364 332 2HB ALA 44 2HB ALA 44 16.179 -1.426 9.521 333 3HB ALA 44 3HB ALA 44 15.536 0.114 8.946 334 H ASN 45 H ASN 45 17.772 0.566 6.076 335 HA ASN 45 HA ASN 45 17.580 -0.355 4.011 336 1HB ASN 45 2HB ASN 45 19.494 -1.728 4.837 337 2HB ASN 45 1HB ASN 45 18.342 -2.940 5.389 338 1HD2 ASN 45 1HD2 ASN 45 18.593 -1.003 2.428 339 2HD2 ASN 45 2HD2 ASN 45 18.575 -2.347 1.344 340 H SER 46 H SER 46 15.238 0.032 5.251 341 HA SER 46 HA SER 46 13.653 -2.269 4.332 342 1HB SER 46 2HB SER 46 13.041 -0.752 6.875 343 2HB SER 46 1HB SER 46 12.200 -2.172 6.254 344 HG SER 46 HG SER 46 14.360 -3.215 6.440 345 H PHE 47 H PHE 47 11.151 -1.432 4.702 346 HA PHE 47 HA PHE 47 10.839 1.297 3.769 347 1HB PHE 47 2HB PHE 47 10.181 -1.106 2.069 348 2HB PHE 47 1HB PHE 47 9.436 0.468 1.806 349 HD1 PHE 47 HD1 PHE 47 12.573 -1.430 1.677 350 HD2 PHE 47 HD2 PHE 47 10.659 2.271 0.855 351 HE1 PHE 47 HE1 PHE 47 14.508 -0.739 0.323 352 HE2 PHE 47 HE2 PHE 47 12.587 2.977 -0.504 353 HZ PHE 47 HZ PHE 47 14.517 1.467 -0.772 354 H ARG 48 H ARG 48 8.493 1.870 3.529 355 HA ARG 48 HA ARG 48 6.655 0.133 4.974 356 1HB ARG 48 2HB ARG 48 7.383 2.913 5.897 357 2HB ARG 48 1HB ARG 48 5.968 2.035 6.461 358 1HG ARG 48 2HG ARG 48 7.945 0.225 6.907 359 2HG ARG 48 1HG ARG 48 8.781 1.749 7.195 360 1HD ARG 48 2HD ARG 48 6.601 2.288 8.576 361 2HD ARG 48 1HD ARG 48 6.487 0.531 8.651 362 HE ARG 48 HE ARG 48 9.081 1.498 9.371 363 1HH1 ARG 48 2HH1 ARG 48 5.846 0.938 10.558 364 2HH1 ARG 48 1HH1 ARG 48 6.345 0.792 12.210 365 1HH2 ARG 48 1HH2 ARG 48 9.737 1.304 11.542 366 2HH2 ARG 48 2HH2 ARG 48 8.554 0.999 12.769 367 H VAL 49 H VAL 49 4.442 0.808 4.852 368 HA VAL 49 HA VAL 49 3.906 2.522 2.518 369 HB VAL 49 HB VAL 49 1.717 1.230 2.399 370 1HG1 VAL 49 1HG1 VAL 49 2.621 -0.098 0.814 371 2HG1 VAL 49 2HG1 VAL 49 3.845 -0.747 1.905 372 3HG1 VAL 49 3HG1 VAL 49 4.074 0.837 1.165 373 1HG2 VAL 49 1HG2 VAL 49 1.583 -0.920 3.445 374 2HG2 VAL 49 2HG2 VAL 49 1.923 0.275 4.698 375 3HG2 VAL 49 3HG2 VAL 49 3.215 -0.762 4.094 376 H VAL 50 H VAL 50 2.877 4.366 2.941 377 HA VAL 50 HA VAL 50 1.139 4.500 5.312 378 HB VAL 50 HB VAL 50 2.622 6.958 4.543 379 1HG1 VAL 50 1HG1 VAL 50 1.584 5.727 7.075 380 2HG1 VAL 50 2HG1 VAL 50 1.090 7.231 6.294 381 3HG1 VAL 50 3HG1 VAL 50 2.662 7.122 7.086 382 1HG2 VAL 50 1HG2 VAL 50 4.525 6.304 6.013 383 2HG2 VAL 50 2HG2 VAL 50 4.441 5.392 4.506 384 3HG2 VAL 50 3HG2 VAL 50 3.899 4.655 6.014 385 H GLY 51 H GLY 51 -0.863 5.076 4.787 386 1HA GLY 51 2HA GLY 51 -1.248 7.028 2.628 387 2HA GLY 51 1HA GLY 51 -2.092 5.490 2.531 388 H ARG 52 H ARG 52 -2.937 8.389 2.874 389 HA ARG 52 HA ARG 52 -4.686 7.930 5.195 390 1HB ARG 52 2HB ARG 52 -4.728 10.389 5.521 391 2HB ARG 52 1HB ARG 52 -3.131 9.691 5.756 392 1HG ARG 52 2HG ARG 52 -2.432 10.455 3.577 393 2HG ARG 52 1HG ARG 52 -4.055 11.060 3.238 394 1HD ARG 52 2HD ARG 52 -2.865 12.962 3.887 395 2HD ARG 52 1HD ARG 52 -3.752 12.495 5.338 396 HE ARG 52 HE ARG 52 -1.126 11.362 5.233 397 1HH1 ARG 52 2HH1 ARG 52 -2.935 14.228 6.064 398 2HH1 ARG 52 1HH1 ARG 52 -1.758 14.792 7.202 399 1HH2 ARG 52 1HH2 ARG 52 0.424 12.103 6.728 400 2HH2 ARG 52 2HH2 ARG 52 0.150 13.587 7.578 401 H LYS 53 H LYS 53 -6.840 8.578 5.015 402 HA LYS 53 HA LYS 53 -8.043 8.262 2.521 403 1HB LYS 53 2HB LYS 53 -8.904 8.505 5.158 404 2HB LYS 53 1HB LYS 53 -9.655 9.862 4.332 405 1HG LYS 53 2HG LYS 53 -11.242 8.466 3.675 406 2HG LYS 53 1HG LYS 53 -10.045 7.713 2.621 407 1HD LYS 53 2HD LYS 53 -9.410 6.405 4.807 408 2HD LYS 53 1HD LYS 53 -11.050 6.838 5.289 409 1HE LYS 53 2HE LYS 53 -12.017 5.568 3.633 410 2HE LYS 53 1HE LYS 53 -10.599 5.658 2.590 411 1HZ LYS 53 1HZ LYS 53 -9.708 3.846 3.517 412 2HZ LYS 53 2HZ LYS 53 -11.272 3.524 4.077 413 3HZ LYS 53 3HZ LYS 53 -10.153 4.286 5.090 414 H MET 54 H MET 54 -9.561 9.902 1.517 415 HA MET 54 HA MET 54 -8.159 12.482 1.290 416 1HB MET 54 2HB MET 54 -9.958 11.223 -0.782 417 2HB MET 54 1HB MET 54 -8.904 12.615 -0.987 418 1HG MET 54 2HG MET 54 -7.055 10.856 -0.298 419 2HG MET 54 1HG MET 54 -8.251 9.725 -0.931 420 1HE MET 54 1HE MET 54 -9.561 10.389 -3.183 421 2HE MET 54 2HE MET 54 -8.356 9.156 -3.555 422 3HE MET 54 3HE MET 54 -8.553 10.545 -4.622 423 H GLN 55 H GLN 55 -9.899 12.245 3.358 424 HA GLN 55 HA GLN 55 -12.247 13.778 2.449 425 1HB GLN 55 2HB GLN 55 -13.238 12.916 4.696 426 2HB GLN 55 1HB GLN 55 -13.211 11.847 3.301 427 1HG GLN 55 2HG GLN 55 -11.534 10.529 4.174 428 2HG GLN 55 1HG GLN 55 -10.953 11.799 5.249 429 1HE2 GLN 55 1HE2 GLN 55 -11.825 8.966 5.685 430 2HE2 GLN 55 2HE2 GLN 55 -12.995 9.059 6.952 431 HA PRO 56 HA PRO 56 -11.312 17.283 4.923 432 1HB PRO 56 2HB PRO 56 -13.757 16.739 6.544 433 2HB PRO 56 1HB PRO 56 -13.250 18.227 5.737 434 1HG PRO 56 2HG PRO 56 -15.168 16.710 4.691 435 2HG PRO 56 1HG PRO 56 -13.965 17.496 3.652 436 1HD PRO 56 2HD PRO 56 -14.186 14.638 4.474 437 2HD PRO 56 1HD PRO 56 -13.626 15.333 2.940 438 H ASP 57 H ASP 57 -12.111 14.299 6.561 439 HA ASP 57 HA ASP 57 -11.060 15.137 9.107 440 1HB ASP 57 2HB ASP 57 -12.082 12.540 7.995 441 2HB ASP 57 1HB ASP 57 -11.238 12.579 9.540 442 H GLN 58 H GLN 58 -9.974 13.067 6.445 443 HA GLN 58 HA GLN 58 -7.920 12.297 5.847 444 1HB GLN 58 2HB GLN 58 -7.197 14.731 7.449 445 2HB GLN 58 1HB GLN 58 -5.942 13.681 6.807 446 1HG GLN 58 2HG GLN 58 -7.913 14.368 4.801 447 2HG GLN 58 1HG GLN 58 -7.154 15.794 5.509 448 1HE2 GLN 58 1HE2 GLN 58 -6.961 14.349 2.846 449 2HE2 GLN 58 2HE2 GLN 58 -5.260 14.179 2.589 450 H GLN 59 H GLN 59 -7.619 10.312 6.640 451 HA GLN 59 HA GLN 59 -6.257 10.057 9.213 452 1HB GLN 59 2HB GLN 59 -7.695 8.344 10.025 453 2HB GLN 59 1HB GLN 59 -8.732 9.672 9.525 454 1HG GLN 59 2HG GLN 59 -9.885 7.986 8.580 455 2HG GLN 59 1HG GLN 59 -8.755 8.281 7.261 456 1HE2 GLN 59 1HE2 GLN 59 -9.627 5.967 6.956 457 2HE2 GLN 59 2HE2 GLN 59 -8.637 4.712 7.611 458 H VAL 60 H VAL 60 -4.932 8.219 9.388 459 HA VAL 60 HA VAL 60 -3.920 7.276 6.881 460 HB VAL 60 HB VAL 60 -2.224 6.134 8.133 461 1HG1 VAL 60 1HG1 VAL 60 -1.802 8.172 9.882 462 2HG1 VAL 60 2HG1 VAL 60 -2.940 8.909 8.753 463 3HG1 VAL 60 3HG1 VAL 60 -1.423 8.229 8.160 464 1HG2 VAL 60 1HG2 VAL 60 -4.226 6.199 10.267 465 2HG2 VAL 60 2HG2 VAL 60 -2.593 6.590 10.802 466 3HG2 VAL 60 3HG2 VAL 60 -2.908 5.062 9.980 467 H VAL 61 H VAL 61 -4.622 5.598 5.773 468 HA VAL 61 HA VAL 61 -6.364 3.644 7.063 469 HB VAL 61 HB VAL 61 -7.083 2.991 4.899 470 1HG1 VAL 61 1HG1 VAL 61 -6.794 5.816 4.173 471 2HG1 VAL 61 2HG1 VAL 61 -7.394 5.540 5.809 472 3HG1 VAL 61 3HG1 VAL 61 -8.247 4.850 4.429 473 1HG2 VAL 61 1HG2 VAL 61 -4.809 4.610 3.750 474 2HG2 VAL 61 2HG2 VAL 61 -6.038 3.744 2.827 475 3HG2 VAL 61 3HG2 VAL 61 -4.890 2.850 3.823 476 H ILE 62 H ILE 62 -3.168 3.944 5.777 477 HA ILE 62 HA ILE 62 -2.652 1.140 6.457 478 HB ILE 62 HB ILE 62 -2.901 1.283 3.991 479 1HG1 ILE 62 2HG1 ILE 62 0.008 0.823 4.568 480 2HG1 ILE 62 1HG1 ILE 62 -1.209 -0.217 5.299 481 1HG2 ILE 62 1HG2 ILE 62 -1.522 2.584 2.627 482 2HG2 ILE 62 2HG2 ILE 62 -0.382 2.910 3.933 483 3HG2 ILE 62 3HG2 ILE 62 -1.974 3.672 3.939 484 1HD1 ILE 62 1HD1 ILE 62 -0.933 -1.441 3.451 485 2HD1 ILE 62 2HD1 ILE 62 -0.237 -0.098 2.544 486 3HD1 ILE 62 3HD1 ILE 62 -1.988 -0.241 2.704 487 H ASN 63 H ASN 63 -0.795 0.843 7.572 488 HA ASN 63 HA ASN 63 1.371 2.729 7.425 489 1HB ASN 63 2HB ASN 63 1.296 3.386 9.793 490 2HB ASN 63 1HB ASN 63 -0.146 3.912 8.938 491 1HD2 ASN 63 1HD2 ASN 63 -2.114 2.915 9.364 492 2HD2 ASN 63 2HD2 ASN 63 -2.367 1.959 10.781 493 H CYS 64 H CYS 64 1.946 0.424 6.692 494 HA CYS 64 HA CYS 64 2.957 -1.079 9.021 495 1HB CYS 64 2HB CYS 64 1.176 -2.033 7.191 496 2HB CYS 64 1HB CYS 64 2.701 -2.542 6.474 497 HG CYS 64 HG CYS 64 1.407 -4.106 8.482 498 H ALA 65 H ALA 65 4.690 -2.782 7.832 499 HA ALA 65 HA ALA 65 6.567 -1.073 6.349 500 1HB ALA 65 1HB ALA 65 8.348 -1.516 7.741 501 2HB ALA 65 2HB ALA 65 7.603 -2.970 8.406 502 3HB ALA 65 3HB ALA 65 7.018 -1.379 8.892 503 H ILE 66 H ILE 66 8.023 -2.146 4.969 504 HA ILE 66 HA ILE 66 7.410 -4.983 4.466 505 HB ILE 66 HB ILE 66 8.186 -4.101 1.995 506 1HG1 ILE 66 2HG1 ILE 66 6.296 -1.987 3.036 507 2HG1 ILE 66 1HG1 ILE 66 8.033 -1.733 2.871 508 1HG2 ILE 66 1HG2 ILE 66 5.305 -4.060 2.834 509 2HG2 ILE 66 2HG2 ILE 66 6.237 -5.556 2.784 510 3HG2 ILE 66 3HG2 ILE 66 6.010 -4.610 1.313 511 1HD1 ILE 66 1HD1 ILE 66 5.947 -1.667 0.869 512 2HD1 ILE 66 2HD1 ILE 66 7.283 -2.729 0.415 513 3HD1 ILE 66 3HD1 ILE 66 7.594 -1.037 0.812 514 H VAL 67 H VAL 67 9.114 -6.310 4.222 515 HA VAL 67 HA VAL 67 11.743 -5.158 3.671 516 HB VAL 67 HB VAL 67 12.794 -6.516 5.434 517 1HG1 VAL 67 1HG1 VAL 67 12.529 -4.928 7.084 518 2HG1 VAL 67 2HG1 VAL 67 10.793 -4.779 6.810 519 3HG1 VAL 67 3HG1 VAL 67 11.932 -4.065 5.667 520 1HG2 VAL 67 1HG2 VAL 67 11.070 -7.131 7.329 521 2HG2 VAL 67 2HG2 VAL 67 11.409 -8.250 6.007 522 3HG2 VAL 67 3HG2 VAL 67 9.958 -7.248 5.965 523 H ARG 68 H ARG 68 12.340 -6.144 1.915 524 HA ARG 68 HA ARG 68 12.271 -7.772 0.218 525 1HB ARG 68 2HB ARG 68 14.080 -9.336 0.699 526 2HB ARG 68 1HB ARG 68 14.476 -7.720 1.265 527 1HG ARG 68 2HG ARG 68 13.252 -8.933 3.439 528 2HG ARG 68 1HG ARG 68 14.272 -10.189 2.739 529 1HD ARG 68 2HD ARG 68 16.005 -8.173 2.651 530 2HD ARG 68 1HD ARG 68 15.012 -7.606 3.993 531 HE ARG 68 HE ARG 68 15.718 -10.308 4.393 532 1HH1 ARG 68 2HH1 ARG 68 17.097 -7.103 4.446 533 2HH1 ARG 68 1HH1 ARG 68 18.314 -7.508 5.610 534 1HH2 ARG 68 1HH2 ARG 68 17.318 -10.844 5.926 535 2HH2 ARG 68 2HH2 ARG 68 18.441 -9.633 6.449 536 H GLY 69 H GLY 69 9.850 -8.194 1.373 537 1HA GLY 69 2HA GLY 69 9.687 -11.116 1.282 538 2HA GLY 69 1HA GLY 69 9.044 -10.316 2.705 539 H VAL 70 H VAL 70 8.126 -8.012 0.915 540 HA VAL 70 HA VAL 70 5.630 -9.321 0.163 541 HB VAL 70 HB VAL 70 6.387 -6.521 0.866 542 1HG1 VAL 70 1HG1 VAL 70 5.248 -5.781 -0.944 543 2HG1 VAL 70 2HG1 VAL 70 3.869 -6.093 0.112 544 3HG1 VAL 70 3HG1 VAL 70 4.328 -7.274 -1.115 545 1HG2 VAL 70 1HG2 VAL 70 4.689 -6.700 2.434 546 2HG2 VAL 70 2HG2 VAL 70 5.370 -8.326 2.392 547 3HG2 VAL 70 3HG2 VAL 70 3.864 -7.974 1.537 548 H LYS 71 H LYS 71 4.985 -9.597 -1.856 549 HA LYS 71 HA LYS 71 6.511 -8.288 -4.010 550 1HB LYS 71 2HB LYS 71 6.933 -10.731 -3.833 551 2HB LYS 71 1HB LYS 71 5.217 -11.021 -4.083 552 1HG LYS 71 2HG LYS 71 5.947 -11.313 -6.208 553 2HG LYS 71 1HG LYS 71 5.663 -9.572 -6.253 554 1HD LYS 71 2HD LYS 71 8.206 -9.642 -5.330 555 2HD LYS 71 1HD LYS 71 8.187 -11.085 -6.346 556 1HE LYS 71 2HE LYS 71 8.909 -9.218 -7.673 557 2HE LYS 71 1HE LYS 71 7.299 -9.702 -8.203 558 1HZ LYS 71 1HZ LYS 71 6.695 -7.863 -6.375 559 2HZ LYS 71 2HZ LYS 71 6.901 -7.512 -8.016 560 3HZ LYS 71 3HZ LYS 71 8.170 -7.245 -6.930 561 H TYR 72 H TYR 72 5.235 -6.688 -4.708 562 HA TYR 72 HA TYR 72 2.522 -6.405 -4.520 563 1HB TYR 72 2HB TYR 72 4.641 -5.234 -6.174 564 2HB TYR 72 1HB TYR 72 3.050 -5.159 -6.918 565 HD1 TYR 72 HD1 TYR 72 2.892 -2.748 -6.786 566 HD2 TYR 72 HD2 TYR 72 3.509 -5.081 -3.281 567 HE1 TYR 72 HE1 TYR 72 2.352 -0.790 -5.396 568 HE2 TYR 72 HE2 TYR 72 2.972 -3.142 -1.881 569 HH TYR 72 HH TYR 72 1.758 -1.031 -2.041 570 H ASN 73 H ASN 73 1.081 -7.915 -5.042 571 HA ASN 73 HA ASN 73 1.332 -9.334 -7.592 572 1HB ASN 73 2HB ASN 73 0.452 -10.085 -4.980 573 2HB ASN 73 1HB ASN 73 -0.904 -10.264 -6.088 574 1HD2 ASN 73 1HD2 ASN 73 0.446 -10.947 -8.404 575 2HD2 ASN 73 2HD2 ASN 73 1.171 -12.500 -8.195 576 H GLN 74 H GLN 74 0.567 -7.890 -9.092 577 HA GLN 74 HA GLN 74 -1.649 -6.211 -8.800 578 1HB GLN 74 2HB GLN 74 0.110 -6.091 -10.599 579 2HB GLN 74 1HB GLN 74 -0.697 -7.437 -11.391 580 1HG GLN 74 2HG GLN 74 -1.991 -5.985 -12.435 581 2HG GLN 74 1HG GLN 74 -2.696 -5.548 -10.878 582 1HE2 GLN 74 1HE2 GLN 74 -2.647 -3.475 -10.440 583 2HE2 GLN 74 2HE2 GLN 74 -1.479 -2.334 -11.006 584 H ALA 75 H ALA 75 -3.478 -7.136 -8.007 585 HA ALA 75 HA ALA 75 -4.514 -9.636 -8.806 586 1HB ALA 75 1HB ALA 75 -5.052 -8.409 -6.684 587 2HB ALA 75 2HB ALA 75 -6.443 -9.087 -7.530 588 3HB ALA 75 3HB ALA 75 -6.101 -7.360 -7.638 589 H THR 76 H THR 76 -5.138 -6.337 -9.901 590 HA THR 76 HA THR 76 -6.318 -7.408 -12.339 591 HB THR 76 HB THR 76 -8.387 -6.424 -12.162 592 HG1 THR 76 HG1 THR 76 -7.110 -4.529 -10.528 593 1HG2 THR 76 1HG2 THR 76 -9.340 -6.642 -9.939 594 2HG2 THR 76 2HG2 THR 76 -7.722 -6.761 -9.250 595 3HG2 THR 76 3HG2 THR 76 -8.313 -8.019 -10.334 596 HA PRO 77 HA PRO 77 -4.540 -4.092 -14.632 597 1HB PRO 77 2HB PRO 77 -7.189 -2.759 -14.966 598 2HB PRO 77 1HB PRO 77 -5.986 -3.193 -16.186 599 1HG PRO 77 2HG PRO 77 -8.193 -4.644 -15.903 600 2HG PRO 77 1HG PRO 77 -6.631 -5.425 -16.218 601 1HD PRO 77 2HD PRO 77 -8.177 -5.231 -13.672 602 2HD PRO 77 1HD PRO 77 -7.179 -6.564 -14.288 603 H ASN 78 H ASN 78 -6.755 -3.207 -12.078 604 HA ASN 78 HA ASN 78 -5.028 -0.937 -11.423 605 1HB ASN 78 2HB ASN 78 -6.968 0.506 -10.981 606 2HB ASN 78 1HB ASN 78 -6.909 0.015 -12.670 607 1HD2 ASN 78 1HD2 ASN 78 -8.916 0.481 -10.159 608 2HD2 ASN 78 2HD2 ASN 78 -10.195 -0.602 -10.585 609 H PHE 79 H PHE 79 -4.527 -2.964 -9.998 610 HA PHE 79 HA PHE 79 -5.560 -2.377 -7.393 611 1HB PHE 79 2HB PHE 79 -7.177 -4.065 -8.638 612 2HB PHE 79 1HB PHE 79 -5.961 -5.237 -8.143 613 HD1 PHE 79 HD1 PHE 79 -8.755 -3.234 -7.123 614 HD2 PHE 79 HD2 PHE 79 -5.426 -5.470 -5.701 615 HE1 PHE 79 HE1 PHE 79 -9.789 -3.346 -4.893 616 HE2 PHE 79 HE2 PHE 79 -6.454 -5.588 -3.467 617 HZ PHE 79 HZ PHE 79 -8.638 -4.524 -3.062 618 H HIS 80 H HIS 80 -4.013 -2.720 -5.922 619 HA HIS 80 HA HIS 80 -1.796 -4.516 -6.651 620 1HB HIS 80 2HB HIS 80 -1.778 -1.818 -5.349 621 2HB HIS 80 1HB HIS 80 -0.463 -2.953 -5.060 622 HD1 HIS 80 HD1 HIS 80 0.659 -0.690 -6.355 623 HD2 HIS 80 HD2 HIS 80 -1.404 -3.502 -8.610 624 HE1 HIS 80 HE1 HIS 80 1.431 -0.352 -8.718 625 HE2 HIS 80 HE2 HIS 80 0.257 -2.138 -10.048 626 H GLN 81 H GLN 81 -2.091 -6.319 -5.519 627 HA GLN 81 HA GLN 81 -2.739 -6.083 -2.655 628 1HB GLN 81 2HB GLN 81 -4.539 -7.234 -3.599 629 2HB GLN 81 1HB GLN 81 -3.519 -8.098 -4.738 630 1HG GLN 81 2HG GLN 81 -2.859 -8.756 -2.002 631 2HG GLN 81 1HG GLN 81 -4.556 -9.064 -2.360 632 1HE2 GLN 81 1HE2 GLN 81 -1.689 -10.510 -2.223 633 2HE2 GLN 81 2HE2 GLN 81 -1.874 -11.717 -3.445 634 H TRP 82 H TRP 82 -1.270 -6.796 -1.234 635 HA TRP 82 HA TRP 82 0.747 -8.728 -2.143 636 1HB TRP 82 2HB TRP 82 2.502 -7.502 -0.923 637 2HB TRP 82 1HB TRP 82 1.852 -6.572 -2.258 638 HD1 TRP 82 HD1 TRP 82 2.011 -6.633 1.559 639 HE1 TRP 82 HE1 TRP 82 1.312 -4.323 2.447 640 HE3 TRP 82 HE3 TRP 82 0.396 -4.530 -2.816 641 HZ2 TRP 82 HZ2 TRP 82 0.217 -1.930 1.436 642 HZ3 TRP 82 HZ3 TRP 82 -0.466 -2.226 -2.765 643 HH2 TRP 82 HH2 TRP 82 -0.553 -0.955 -0.682 644 H ARG 83 H ARG 83 1.564 -10.107 -0.615 645 HA ARG 83 HA ARG 83 0.119 -10.159 1.950 646 1HB ARG 83 2HB ARG 83 0.008 -12.116 0.218 647 2HB ARG 83 1HB ARG 83 1.613 -12.506 0.818 648 1HG ARG 83 2HG ARG 83 0.818 -12.965 2.975 649 2HG ARG 83 1HG ARG 83 -0.728 -12.175 2.663 650 1HD ARG 83 2HD ARG 83 -0.324 -14.262 0.748 651 2HD ARG 83 1HD ARG 83 -0.073 -14.904 2.370 652 HE ARG 83 HE ARG 83 -2.371 -13.525 2.633 653 1HH1 ARG 83 2HH1 ARG 83 -1.315 -15.926 0.330 654 2HH1 ARG 83 1HH1 ARG 83 -2.909 -16.544 0.055 655 1HH2 ARG 83 1HH2 ARG 83 -4.468 -14.338 2.272 656 2HH2 ARG 83 2HH2 ARG 83 -4.699 -15.642 1.156 657 H ASP 84 H ASP 84 1.331 -9.301 3.525 658 HA ASP 84 HA ASP 84 4.227 -9.484 3.342 659 1HB ASP 84 2HB ASP 84 3.418 -7.292 3.789 660 2HB ASP 84 1HB ASP 84 2.395 -7.853 5.088 661 H ALA 85 H ALA 85 2.757 -9.262 6.497 662 HA ALA 85 HA ALA 85 4.326 -11.430 7.459 663 1HB ALA 85 1HB ALA 85 2.327 -9.567 8.636 664 2HB ALA 85 2HB ALA 85 4.000 -9.877 9.105 665 3HB ALA 85 3HB ALA 85 2.739 -11.036 9.523 666 H ARG 86 H ARG 86 0.808 -11.056 7.746 667 HA ARG 86 HA ARG 86 0.452 -13.818 6.843 668 1HB ARG 86 2HB ARG 86 0.616 -14.002 9.257 669 2HB ARG 86 1HB ARG 86 -0.592 -12.742 9.467 670 1HG ARG 86 2HG ARG 86 -2.286 -14.171 9.217 671 2HG ARG 86 1HG ARG 86 -1.538 -14.949 7.822 672 1HD ARG 86 2HD ARG 86 -1.899 -16.395 9.879 673 2HD ARG 86 1HD ARG 86 -0.285 -16.409 9.171 674 HE ARG 86 HE ARG 86 -0.619 -14.490 11.289 675 1HH1 ARG 86 2HH1 ARG 86 0.190 -17.796 10.512 676 2HH1 ARG 86 1HH1 ARG 86 1.098 -18.046 11.964 677 1HH2 ARG 86 1HH2 ARG 86 0.576 -14.820 13.202 678 2HH2 ARG 86 2HH2 ARG 86 1.316 -16.358 13.491 679 H GLN 87 H GLN 87 -0.553 -10.611 6.827 680 HA GLN 87 HA GLN 87 -3.235 -11.343 5.876 681 1HB GLN 87 2HB GLN 87 -2.326 -8.567 6.618 682 2HB GLN 87 1HB GLN 87 -3.972 -9.156 6.432 683 1HG GLN 87 2HG GLN 87 -4.071 -9.633 8.584 684 2HG GLN 87 1HG GLN 87 -2.682 -10.707 8.434 685 1HE2 GLN 87 1HE2 GLN 87 -0.725 -8.862 7.766 686 2HE2 GLN 87 2HE2 GLN 87 -0.446 -7.824 9.119 687 H VAL 88 H VAL 88 -3.886 -9.189 4.395 688 HA VAL 88 HA VAL 88 -1.782 -8.832 2.401 689 HB VAL 88 HB VAL 88 -4.495 -9.419 1.331 690 1HG1 VAL 88 1HG1 VAL 88 -2.529 -8.651 -0.031 691 2HG1 VAL 88 2HG1 VAL 88 -3.289 -10.145 -0.582 692 3HG1 VAL 88 3HG1 VAL 88 -1.774 -10.206 0.318 693 1HG2 VAL 88 1HG2 VAL 88 -2.575 -11.600 2.148 694 2HG2 VAL 88 2HG2 VAL 88 -4.080 -11.815 1.254 695 3HG2 VAL 88 3HG2 VAL 88 -4.121 -11.254 2.925 696 H TRP 89 H TRP 89 -1.641 -6.757 1.881 697 HA TRP 89 HA TRP 89 -3.869 -4.992 2.553 698 1HB TRP 89 2HB TRP 89 -0.954 -4.504 2.012 699 2HB TRP 89 1HB TRP 89 -2.113 -3.187 2.129 700 HD1 TRP 89 HD1 TRP 89 -0.567 -5.989 4.275 701 HE1 TRP 89 HE1 TRP 89 -0.750 -5.303 6.746 702 HE3 TRP 89 HE3 TRP 89 -3.328 -1.726 3.726 703 HZ2 TRP 89 HZ2 TRP 89 -1.921 -3.223 8.268 704 HZ3 TRP 89 HZ3 TRP 89 -3.937 -0.446 5.735 705 HH2 TRP 89 HH2 TRP 89 -3.253 -1.179 7.957 706 H GLY 90 H GLY 90 -5.255 -5.271 0.816 707 1HA GLY 90 2HA GLY 90 -4.357 -5.070 -1.899 708 2HA GLY 90 1HA GLY 90 -6.021 -5.097 -1.354 709 H LEU 91 H LEU 91 -4.860 -3.419 -3.401 710 HA LEU 91 HA LEU 91 -5.631 -0.833 -2.264 711 1HB LEU 91 2HB LEU 91 -2.993 -1.549 -3.301 712 2HB LEU 91 1HB LEU 91 -3.669 -0.131 -4.070 713 HG LEU 91 HG LEU 91 -2.259 0.518 -2.218 714 1HD1 LEU 91 1HD1 LEU 91 -3.780 1.957 -1.056 715 2HD1 LEU 91 2HD1 LEU 91 -5.148 0.926 -1.473 716 3HD1 LEU 91 3HD1 LEU 91 -4.302 1.820 -2.732 717 1HD2 LEU 91 1HD2 LEU 91 -4.054 -0.635 -0.173 718 2HD2 LEU 91 2HD2 LEU 91 -2.315 -0.358 -0.134 719 3HD2 LEU 91 3HD2 LEU 91 -2.967 -1.750 -0.998 720 H ASN 92 H ASN 92 -7.445 -0.427 -3.390 721 HA ASN 92 HA ASN 92 -7.524 -1.085 -6.239 722 1HB ASN 92 2HB ASN 92 -9.462 -1.456 -4.507 723 2HB ASN 92 1HB ASN 92 -9.794 0.246 -4.809 724 1HD2 ASN 92 1HD2 ASN 92 -8.979 0.216 -7.585 725 2HD2 ASN 92 2HD2 ASN 92 -10.197 -0.658 -8.442 726 H PHE 93 H PHE 93 -6.619 0.345 -7.513 727 HA PHE 93 HA PHE 93 -6.460 3.134 -6.844 728 1HB PHE 93 2HB PHE 93 -5.682 1.783 -9.425 729 2HB PHE 93 1HB PHE 93 -5.131 3.339 -8.825 730 HD1 PHE 93 HD1 PHE 93 -4.764 -0.262 -8.609 731 HD2 PHE 93 HD2 PHE 93 -3.524 3.462 -6.967 732 HE1 PHE 93 HE1 PHE 93 -2.886 -1.383 -7.491 733 HE2 PHE 93 HE2 PHE 93 -1.647 2.346 -5.844 734 HZ PHE 93 HZ PHE 93 -1.328 -0.077 -6.106 735 H GLY 94 H GLY 94 -7.115 4.848 -8.287 736 1HA GLY 94 2HA GLY 94 -9.836 4.398 -9.221 737 2HA GLY 94 1HA GLY 94 -9.039 5.954 -9.039 738 H SER 95 H SER 95 -6.676 5.060 -10.560 739 HA SER 95 HA SER 95 -7.792 4.675 -13.237 740 1HB SER 95 2HB SER 95 -7.218 7.196 -12.419 741 2HB SER 95 1HB SER 95 -5.656 6.714 -13.079 742 HG SER 95 HG SER 95 -8.094 7.106 -14.363 743 H LYS 96 H LYS 96 -5.865 4.547 -14.866 744 HA LYS 96 HA LYS 96 -4.242 2.365 -14.024 745 1HB LYS 96 2HB LYS 96 -3.234 2.565 -16.295 746 2HB LYS 96 1HB LYS 96 -4.989 2.456 -16.308 747 1HG LYS 96 2HG LYS 96 -5.237 4.729 -16.835 748 2HG LYS 96 1HG LYS 96 -3.560 5.090 -16.421 749 1HD LYS 96 2HD LYS 96 -3.062 3.347 -18.332 750 2HD LYS 96 1HD LYS 96 -4.684 3.801 -18.862 751 1HE LYS 96 2HE LYS 96 -3.608 5.446 -19.955 752 2HE LYS 96 1HE LYS 96 -3.608 6.237 -18.380 753 1HZ LYS 96 1HZ LYS 96 -1.412 5.959 -19.733 754 2HZ LYS 96 2HZ LYS 96 -1.405 4.416 -19.042 755 3HZ LYS 96 3HZ LYS 96 -1.407 5.786 -18.050 756 H GLU 97 H GLU 97 -3.737 5.808 -14.373 757 HA GLU 97 HA GLU 97 -0.919 5.810 -14.298 758 1HB GLU 97 2HB GLU 97 -2.728 7.719 -14.757 759 2HB GLU 97 1HB GLU 97 -2.415 8.066 -13.063 760 1HG GLU 97 2HG GLU 97 -0.506 9.074 -13.549 761 2HG GLU 97 1HG GLU 97 0.055 7.690 -14.485 762 H ASP 98 H ASP 98 -3.317 6.272 -11.705 763 HA ASP 98 HA ASP 98 -1.585 6.629 -9.577 764 1HB ASP 98 2HB ASP 98 -4.212 5.125 -9.546 765 2HB ASP 98 1HB ASP 98 -3.400 5.812 -8.143 766 H ALA 99 H ALA 99 -3.128 3.543 -10.482 767 HA ALA 99 HA ALA 99 -1.712 1.871 -8.810 768 1HB ALA 99 1HB ALA 99 -2.452 1.017 -11.584 769 2HB ALA 99 2HB ALA 99 -3.688 1.365 -10.374 770 3HB ALA 99 3HB ALA 99 -2.503 0.090 -10.085 771 H ALA 100 H ALA 100 -0.721 3.253 -11.883 772 HA ALA 100 HA ALA 100 1.582 1.591 -12.203 773 1HB ALA 100 1HB ALA 100 1.291 4.303 -13.443 774 2HB ALA 100 2HB ALA 100 0.317 2.940 -13.994 775 3HB ALA 100 3HB ALA 100 2.076 2.862 -14.090 776 H GLN 101 H GLN 101 0.912 4.629 -10.618 777 HA GLN 101 HA GLN 101 3.658 5.347 -10.229 778 1HB GLN 101 2HB GLN 101 1.659 6.929 -10.307 779 2HB GLN 101 1HB GLN 101 1.297 6.391 -8.674 780 1HG GLN 101 2HG GLN 101 2.508 8.474 -8.623 781 2HG GLN 101 1HG GLN 101 3.490 7.182 -7.932 782 1HE2 GLN 101 1HE2 GLN 101 5.147 6.254 -9.280 783 2HE2 GLN 101 2HE2 GLN 101 5.917 7.229 -10.482 784 H PHE 102 H PHE 102 1.113 3.946 -8.192 785 HA PHE 102 HA PHE 102 2.458 3.867 -5.778 786 1HB PHE 102 2HB PHE 102 0.022 3.186 -6.388 787 2HB PHE 102 1HB PHE 102 0.694 1.587 -6.618 788 HD1 PHE 102 HD1 PHE 102 1.465 4.194 -4.091 789 HD2 PHE 102 HD2 PHE 102 -0.054 0.286 -4.844 790 HE1 PHE 102 HE1 PHE 102 1.299 3.796 -1.673 791 HE2 PHE 102 HE2 PHE 102 -0.225 -0.114 -2.425 792 HZ PHE 102 HZ PHE 102 0.452 1.640 -0.835 793 H ALA 103 H ALA 103 2.476 1.419 -8.366 794 HA ALA 103 HA ALA 103 4.244 -0.352 -7.018 795 1HB ALA 103 1HB ALA 103 3.153 -0.113 -9.760 796 2HB ALA 103 2HB ALA 103 3.161 -1.490 -8.658 797 3HB ALA 103 3HB ALA 103 4.622 -1.066 -9.552 798 H ALA 104 H ALA 104 4.676 2.407 -9.099 799 HA ALA 104 HA ALA 104 7.228 2.154 -10.046 800 1HB ALA 104 1HB ALA 104 6.287 4.735 -8.831 801 2HB ALA 104 2HB ALA 104 5.585 4.094 -10.316 802 3HB ALA 104 3HB ALA 104 7.302 4.489 -10.252 803 H GLY 105 H GLY 105 6.491 3.891 -7.023 804 1HA GLY 105 2HA GLY 105 9.184 3.862 -6.120 805 2HA GLY 105 1HA GLY 105 7.777 4.233 -5.141 806 H MET 106 H MET 106 6.366 1.894 -5.309 807 HA MET 106 HA MET 106 7.394 0.366 -3.268 808 1HB MET 106 2HB MET 106 5.076 0.198 -3.939 809 2HB MET 106 1HB MET 106 5.539 -0.459 -5.505 810 1HG MET 106 2HG MET 106 4.859 -2.308 -4.277 811 2HG MET 106 1HG MET 106 6.613 -2.357 -4.203 812 1HE MET 106 1HE MET 106 4.782 -3.957 -1.552 813 2HE MET 106 2HE MET 106 6.441 -3.770 -0.984 814 3HE MET 106 3HE MET 106 6.122 -4.067 -2.694 815 H ALA 107 H ALA 107 7.369 -0.538 -6.702 816 HA ALA 107 HA ALA 107 8.843 -2.824 -6.667 817 1HB ALA 107 1HB ALA 107 7.842 -1.512 -8.663 818 2HB ALA 107 2HB ALA 107 9.273 -2.508 -8.929 819 3HB ALA 107 3HB ALA 107 9.435 -0.761 -8.757 820 H SER 108 H SER 108 10.050 0.495 -6.548 821 HA SER 108 HA SER 108 12.800 -0.106 -6.646 822 1HB SER 108 2HB SER 108 11.480 2.194 -6.747 823 2HB SER 108 1HB SER 108 11.828 2.206 -5.019 824 HG SER 108 HG SER 108 13.544 3.185 -5.972 825 H ALA 109 H ALA 109 10.504 0.123 -3.963 826 HA ALA 109 HA ALA 109 12.361 -0.118 -1.855 827 1HB ALA 109 1HB ALA 109 10.283 0.558 -1.120 828 2HB ALA 109 2HB ALA 109 10.268 -1.147 -0.660 829 3HB ALA 109 3HB ALA 109 9.429 -0.616 -2.118 830 H LEU 110 H LEU 110 10.370 -2.572 -3.463 831 HA LEU 110 HA LEU 110 11.415 -4.773 -2.042 832 1HB LEU 110 2HB LEU 110 10.297 -4.983 -4.817 833 2HB LEU 110 1HB LEU 110 10.189 -6.136 -3.501 834 HG LEU 110 HG LEU 110 8.798 -3.460 -3.441 835 1HD1 LEU 110 1HD1 LEU 110 7.149 -5.823 -3.897 836 2HD1 LEU 110 2HD1 LEU 110 8.214 -5.422 -5.246 837 3HD1 LEU 110 3HD1 LEU 110 7.075 -4.222 -4.635 838 1HD2 LEU 110 1HD2 LEU 110 9.124 -5.641 -1.578 839 2HD2 LEU 110 2HD2 LEU 110 7.421 -5.362 -1.945 840 3HD2 LEU 110 3HD2 LEU 110 8.418 -4.044 -1.331 841 H GLU 111 H GLU 111 12.628 -2.964 -4.718 842 HA GLU 111 HA GLU 111 14.423 -5.046 -5.631 843 1HB GLU 111 2HB GLU 111 13.336 -2.794 -6.789 844 2HB GLU 111 1HB GLU 111 15.008 -2.330 -6.529 845 1HG GLU 111 2HG GLU 111 15.815 -3.874 -7.995 846 2HG GLU 111 1HG GLU 111 14.463 -4.977 -7.745 847 H ALA 112 H ALA 112 14.466 -2.417 -3.404 848 HA ALA 112 HA ALA 112 17.390 -2.615 -3.124 849 1HB ALA 112 1HB ALA 112 17.101 -0.365 -3.207 850 2HB ALA 112 2HB ALA 112 16.743 -0.574 -1.493 851 3HB ALA 112 3HB ALA 112 15.427 -0.450 -2.661 852 H LEU 113 H LEU 113 14.747 -4.044 -2.094 853 HA LEU 113 HA LEU 113 15.366 -4.134 0.748 854 1HB LEU 113 2HB LEU 113 13.069 -4.664 -0.998 855 2HB LEU 113 1HB LEU 113 13.259 -5.815 0.294 856 HG LEU 113 HG LEU 113 12.921 -2.841 0.567 857 1HD1 LEU 113 1HD1 LEU 113 11.090 -5.066 0.544 858 2HD1 LEU 113 2HD1 LEU 113 10.759 -3.334 0.553 859 3HD1 LEU 113 3HD1 LEU 113 11.012 -4.192 2.073 860 1HD2 LEU 113 1HD2 LEU 113 14.312 -3.260 2.344 861 2HD2 LEU 113 2HD2 LEU 113 13.747 -4.918 2.537 862 3HD2 LEU 113 3HD2 LEU 113 12.737 -3.575 3.069 863 H GLU 114 H GLU 114 15.186 -6.183 -2.120 864 HA GLU 114 HA GLU 114 16.386 -8.407 -0.635 865 1HB GLU 114 2HB GLU 114 15.449 -8.566 -3.484 866 2HB GLU 114 1HB GLU 114 15.592 -9.855 -2.298 867 1HG GLU 114 2HG GLU 114 13.752 -8.424 -1.054 868 2HG GLU 114 1HG GLU 114 13.428 -7.869 -2.695 869 H GLY 115 HN GLY 115 16.968 -6.160 -3.266 870 1HA GLY 115 2HA GLY 115 19.393 -7.501 -4.108 871 2HA GLY 115 1HA GLY 115 18.771 -5.978 -4.726 Start of MODEL 5 1 1H MET 1 1H MET 1 12.273 14.192 8.551 2 2H MET 1 2H MET 1 13.032 14.467 10.065 3 3H MET 1 3H MET 1 12.613 15.793 9.059 4 HA MET 1 HA MET 1 11.147 15.344 11.000 5 1HB MET 1 2HB MET 1 10.269 15.576 8.134 6 2HB MET 1 1HB MET 1 9.088 15.602 9.435 7 1HG MET 1 2HG MET 1 9.912 17.598 10.308 8 2HG MET 1 1HG MET 1 11.438 17.454 9.438 9 1HE MET 1 1HE MET 1 11.139 18.444 6.149 10 2HE MET 1 2HE MET 1 12.052 18.270 7.649 11 3HE MET 1 3HE MET 1 11.338 19.826 7.226 12 H SER 2 H SER 2 10.296 13.328 8.178 13 HA SER 2 HA SER 2 9.831 11.055 9.936 14 1HB SER 2 2HB SER 2 7.655 12.036 10.005 15 2HB SER 2 1HB SER 2 7.667 12.347 8.269 16 HG SER 2 HG SER 2 6.786 10.195 9.539 17 H GLU 3 H GLU 3 11.817 10.618 8.588 18 HA GLU 3 HA GLU 3 12.878 9.496 6.916 19 1HB GLU 3 2HB GLU 3 10.190 8.268 6.316 20 2HB GLU 3 1HB GLU 3 11.774 7.574 6.032 21 1HG GLU 3 2HG GLU 3 11.075 6.445 7.907 22 2HG GLU 3 1HG GLU 3 12.053 7.740 8.594 23 H THR 4 H THR 4 12.234 8.664 4.419 24 HA THR 4 HA THR 4 11.371 11.138 3.066 25 HB THR 4 HB THR 4 13.538 9.189 2.265 26 HG1 THR 4 HG1 THR 4 13.601 11.920 3.018 27 1HG2 THR 4 1HG2 THR 4 12.742 9.817 0.195 28 2HG2 THR 4 2HG2 THR 4 13.986 11.025 0.512 29 3HG2 THR 4 3HG2 THR 4 12.285 11.429 0.743 30 H VAL 5 H VAL 5 9.489 10.847 2.075 31 HA VAL 5 HA VAL 5 8.385 8.310 1.502 32 HB VAL 5 HB VAL 5 7.601 11.101 0.689 33 1HG1 VAL 5 1HG1 VAL 5 6.490 8.503 -0.268 34 2HG1 VAL 5 2HG1 VAL 5 6.733 10.014 -1.144 35 3HG1 VAL 5 3HG1 VAL 5 5.403 9.864 0.004 36 1HG2 VAL 5 1HG2 VAL 5 7.256 9.757 3.024 37 2HG2 VAL 5 2HG2 VAL 5 5.755 9.377 2.179 38 3HG2 VAL 5 3HG2 VAL 5 6.212 11.059 2.453 39 H ILE 6 H ILE 6 8.008 7.288 -0.509 40 HA ILE 6 HA ILE 6 10.038 7.948 -2.519 41 HB ILE 6 HB ILE 6 8.418 5.456 -2.717 42 1HG1 ILE 6 2HG1 ILE 6 10.432 6.069 -0.580 43 2HG1 ILE 6 1HG1 ILE 6 8.906 5.211 -0.450 44 1HG2 ILE 6 1HG2 ILE 6 11.368 5.684 -3.055 45 2HG2 ILE 6 2HG2 ILE 6 10.297 6.369 -4.279 46 3HG2 ILE 6 3HG2 ILE 6 10.211 4.650 -3.896 47 1HD1 ILE 6 1HD1 ILE 6 11.471 4.190 -1.632 48 2HD1 ILE 6 2HD1 ILE 6 9.928 3.341 -1.736 49 3HD1 ILE 6 3HD1 ILE 6 10.663 3.644 -0.164 50 H CYS 7 H CYS 7 6.822 6.426 -2.806 51 HA CYS 7 HA CYS 7 6.266 8.291 -5.018 52 1HB CYS 7 2HB CYS 7 6.409 5.443 -5.041 53 2HB CYS 7 1HB CYS 7 4.739 5.909 -5.338 54 HG CYS 7 HG CYS 7 6.712 5.869 -7.429 55 H SER 8 H SER 8 3.764 8.044 -5.576 56 HA SER 8 HA SER 8 2.089 7.841 -3.220 57 1HB SER 8 2HB SER 8 1.353 10.352 -4.258 58 2HB SER 8 1HB SER 8 2.103 10.024 -2.701 59 HG SER 8 HG SER 8 3.369 10.677 -5.144 60 H SER 9 H SER 9 0.250 6.905 -3.839 61 HA SER 9 HA SER 9 -0.806 7.541 -6.514 62 1HB SER 9 2HB SER 9 0.346 5.371 -6.629 63 2HB SER 9 1HB SER 9 -0.660 4.771 -5.311 64 HG SER 9 HG SER 9 -1.646 4.110 -7.156 65 H ARG 10 H ARG 10 -3.064 7.268 -6.793 66 HA ARG 10 HA ARG 10 -4.574 7.614 -4.309 67 1HB ARG 10 2HB ARG 10 -4.808 9.281 -6.155 68 2HB ARG 10 1HB ARG 10 -5.485 8.012 -7.166 69 1HG ARG 10 2HG ARG 10 -6.908 8.089 -4.693 70 2HG ARG 10 1HG ARG 10 -6.827 9.716 -5.369 71 1HD ARG 10 2HD ARG 10 -7.404 8.038 -7.531 72 2HD ARG 10 1HD ARG 10 -8.408 7.455 -6.204 73 HE ARG 10 HE ARG 10 -9.635 9.392 -6.316 74 1HH1 ARG 10 2HH1 ARG 10 -6.720 9.771 -8.197 75 2HH1 ARG 10 1HH1 ARG 10 -7.226 11.266 -8.910 76 1HH2 ARG 10 1HH2 ARG 10 -10.302 11.356 -7.254 77 2HH2 ARG 10 2HH2 ARG 10 -9.260 12.166 -8.375 78 H ALA 11 H ALA 11 -5.904 6.070 -3.532 79 HA ALA 11 HA ALA 11 -7.358 4.241 -5.102 80 1HB ALA 11 1HB ALA 11 -5.042 3.380 -5.509 81 2HB ALA 11 2HB ALA 11 -6.156 2.202 -4.820 82 3HB ALA 11 3HB ALA 11 -4.955 2.982 -3.793 83 H THR 12 H THR 12 -8.543 2.688 -3.849 84 HA THR 12 HA THR 12 -8.889 3.557 -1.081 85 HB THR 12 HB THR 12 -10.619 1.518 -2.441 86 HG1 THR 12 HG1 THR 12 -10.815 3.017 -3.947 87 1HG2 THR 12 1HG2 THR 12 -12.352 2.325 -1.082 88 2HG2 THR 12 2HG2 THR 12 -11.438 3.766 -0.634 89 3HG2 THR 12 3HG2 THR 12 -10.944 2.185 -0.028 90 H VAL 13 H VAL 13 -7.135 2.582 -0.076 91 HA VAL 13 HA VAL 13 -6.053 0.119 -0.350 92 HB VAL 13 HB VAL 13 -6.582 1.592 2.232 93 1HG1 VAL 13 1HG1 VAL 13 -4.700 0.205 3.136 94 2HG1 VAL 13 2HG1 VAL 13 -4.856 -0.822 1.711 95 3HG1 VAL 13 3HG1 VAL 13 -6.198 -0.682 2.848 96 1HG2 VAL 13 1HG2 VAL 13 -5.166 2.949 1.034 97 2HG2 VAL 13 2HG2 VAL 13 -4.413 1.598 0.188 98 3HG2 VAL 13 3HG2 VAL 13 -4.004 1.921 1.872 99 H MET 14 H MET 14 -6.280 -1.897 0.808 100 HA MET 14 HA MET 14 -8.811 -2.511 2.049 101 1HB MET 14 2HB MET 14 -8.521 -2.875 -0.757 102 2HB MET 14 1HB MET 14 -8.491 -4.462 -0.032 103 1HG MET 14 2HG MET 14 -10.614 -4.250 0.877 104 2HG MET 14 1HG MET 14 -10.597 -2.496 0.744 105 1HE MET 14 1HE MET 14 -13.339 -2.541 -1.246 106 2HE MET 14 2HE MET 14 -12.897 -3.259 0.306 107 3HE MET 14 3HE MET 14 -13.413 -4.290 -1.031 108 H LEU 15 H LEU 15 -8.759 -4.360 3.276 109 HA LEU 15 HA LEU 15 -6.207 -5.831 3.313 110 1HB LEU 15 2HB LEU 15 -7.840 -4.668 5.501 111 2HB LEU 15 1HB LEU 15 -7.111 -6.232 5.810 112 HG LEU 15 HG LEU 15 -5.697 -3.648 5.175 113 1HD1 LEU 15 1HD1 LEU 15 -5.184 -5.413 7.523 114 2HD1 LEU 15 2HD1 LEU 15 -6.573 -4.326 7.533 115 3HD1 LEU 15 3HD1 LEU 15 -4.945 -3.675 7.348 116 1HD2 LEU 15 1HD2 LEU 15 -4.855 -6.370 4.673 117 2HD2 LEU 15 2HD2 LEU 15 -3.790 -5.558 5.820 118 3HD2 LEU 15 3HD2 LEU 15 -4.079 -4.849 4.234 119 H TYR 16 H TYR 16 -6.384 -7.933 2.861 120 HA TYR 16 HA TYR 16 -8.985 -9.124 2.570 121 1HB TYR 16 2HB TYR 16 -6.872 -9.526 1.116 122 2HB TYR 16 1HB TYR 16 -6.418 -10.661 2.379 123 HD1 TYR 16 HD1 TYR 16 -7.474 -12.778 2.573 124 HD2 TYR 16 HD2 TYR 16 -8.949 -9.905 -0.197 125 HE1 TYR 16 HE1 TYR 16 -8.888 -14.508 1.550 126 HE2 TYR 16 HE2 TYR 16 -10.369 -11.621 -1.235 127 HH TYR 16 HH TYR 16 -11.360 -13.753 -0.713 128 H ASP 17 H ASP 17 -9.880 -10.773 3.696 129 HA ASP 17 HA ASP 17 -8.587 -11.479 6.248 130 1HB ASP 17 2HB ASP 17 -11.014 -10.215 5.915 131 2HB ASP 17 1HB ASP 17 -11.490 -11.902 6.084 132 H ASP 18 H ASP 18 -7.516 -13.172 4.998 133 HA ASP 18 HA ASP 18 -8.642 -15.137 3.483 134 1HB ASP 18 2HB ASP 18 -6.258 -14.928 5.170 135 2HB ASP 18 1HB ASP 18 -6.821 -16.582 4.947 136 H GLY 19 H GLY 19 -8.939 -14.735 6.934 137 1HA GLY 19 2HA GLY 19 -9.734 -17.284 7.714 138 2HA GLY 19 1HA GLY 19 -10.294 -15.794 8.460 139 H ASN 20 H ASN 20 -11.462 -14.866 5.903 140 HA ASN 20 HA ASN 20 -13.736 -16.719 5.690 141 1HB ASN 20 2HB ASN 20 -13.835 -13.713 5.988 142 2HB ASN 20 1HB ASN 20 -15.216 -14.694 5.505 143 1HD2 ASN 20 1HD2 ASN 20 -12.788 -14.372 8.056 144 2HD2 ASN 20 2HD2 ASN 20 -13.826 -14.865 9.346 145 H LYS 21 H LYS 21 -11.256 -15.352 4.054 146 HA LYS 21 HA LYS 21 -10.766 -15.009 1.864 147 1HB LYS 21 2HB LYS 21 -12.503 -17.213 1.985 148 2HB LYS 21 1HB LYS 21 -13.081 -16.235 0.644 149 1HG LYS 21 2HG LYS 21 -11.484 -17.927 -0.085 150 2HG LYS 21 1HG LYS 21 -10.879 -16.297 -0.378 151 1HD LYS 21 2HD LYS 21 -9.371 -16.423 1.429 152 2HD LYS 21 1HD LYS 21 -10.165 -17.851 2.095 153 1HE LYS 21 2HE LYS 21 -9.169 -19.268 0.609 154 2HE LYS 21 1HE LYS 21 -9.055 -18.041 -0.651 155 1HZ LYS 21 1HZ LYS 21 -6.897 -18.076 -0.069 156 2HZ LYS 21 2HZ LYS 21 -7.194 -18.683 1.483 157 3HZ LYS 21 3HZ LYS 21 -7.397 -17.034 1.167 158 H ARG 22 H ARG 22 -11.166 -12.738 2.118 159 HA ARG 22 HA ARG 22 -12.747 -11.595 0.148 160 1HB ARG 22 2HB ARG 22 -14.450 -10.448 1.701 161 2HB ARG 22 1HB ARG 22 -14.753 -12.118 1.238 162 1HG ARG 22 2HG ARG 22 -14.516 -12.884 3.338 163 2HG ARG 22 1HG ARG 22 -13.209 -11.759 3.714 164 1HD ARG 22 2HD ARG 22 -14.643 -10.106 4.389 165 2HD ARG 22 1HD ARG 22 -15.952 -10.667 3.349 166 HE ARG 22 HE ARG 22 -15.309 -12.475 5.491 167 1HH1 ARG 22 2HH1 ARG 22 -17.188 -9.683 4.568 168 2HH1 ARG 22 1HH1 ARG 22 -18.383 -9.926 5.797 169 1HH2 ARG 22 1HH2 ARG 22 -16.879 -12.797 7.107 170 2HH2 ARG 22 2HH2 ARG 22 -18.208 -11.694 7.239 171 H TRP 23 H TRP 23 -12.822 -9.212 0.280 172 HA TRP 23 HA TRP 23 -10.408 -8.212 1.508 173 1HB TRP 23 2HB TRP 23 -12.473 -7.026 -0.330 174 2HB TRP 23 1HB TRP 23 -11.256 -6.013 0.437 175 HD1 TRP 23 HD1 TRP 23 -11.803 -7.617 -2.697 176 HE1 TRP 23 HE1 TRP 23 -9.618 -8.145 -3.942 177 HE3 TRP 23 HE3 TRP 23 -8.523 -7.041 1.170 178 HZ2 TRP 23 HZ2 TRP 23 -6.865 -8.294 -3.361 179 HZ3 TRP 23 HZ3 TRP 23 -6.126 -7.391 0.742 180 HH2 TRP 23 HH2 TRP 23 -5.316 -8.004 -1.478 181 H LEU 24 H LEU 24 -10.577 -5.944 2.531 182 HA LEU 24 HA LEU 24 -12.905 -5.206 3.940 183 1HB LEU 24 2HB LEU 24 -11.241 -7.237 5.158 184 2HB LEU 24 1HB LEU 24 -11.345 -5.811 6.171 185 HG LEU 24 HG LEU 24 -13.647 -7.485 5.169 186 1HD1 LEU 24 1HD1 LEU 24 -12.903 -6.924 8.017 187 2HD1 LEU 24 2HD1 LEU 24 -12.175 -8.258 7.122 188 3HD1 LEU 24 3HD1 LEU 24 -13.922 -8.208 7.367 189 1HD2 LEU 24 1HD2 LEU 24 -14.791 -5.843 6.929 190 2HD2 LEU 24 2HD2 LEU 24 -14.699 -5.475 5.206 191 3HD2 LEU 24 3HD2 LEU 24 -13.537 -4.760 6.323 192 HA PRO 25 HA PRO 25 -10.480 -1.449 3.491 193 1HB PRO 25 2HB PRO 25 -12.338 -0.787 5.750 194 2HB PRO 25 1HB PRO 25 -11.875 0.197 4.356 195 1HG PRO 25 2HG PRO 25 -14.210 -1.093 4.401 196 2HG PRO 25 1HG PRO 25 -13.265 -0.957 2.907 197 1HD PRO 25 2HD PRO 25 -13.726 -3.315 4.634 198 2HD PRO 25 1HD PRO 25 -13.320 -3.243 2.912 199 H ALA 26 H ALA 26 -8.482 -1.426 4.280 200 HA ALA 26 HA ALA 26 -7.584 -2.565 6.634 201 1HB ALA 26 1HB ALA 26 -5.511 -1.501 6.233 202 2HB ALA 26 2HB ALA 26 -6.276 -0.202 5.320 203 3HB ALA 26 3HB ALA 26 -6.216 -1.831 4.651 204 H GLY 27 H GLY 27 -8.186 0.877 6.017 205 1HA GLY 27 2HA GLY 27 -7.552 1.919 8.487 206 2HA GLY 27 1HA GLY 27 -8.781 2.591 7.427 207 H THR 28 H THR 28 -10.845 2.563 8.097 208 HA THR 28 HA THR 28 -11.546 0.771 10.320 209 HB THR 28 HB THR 28 -12.262 3.695 10.061 210 HG1 THR 28 HG1 THR 28 -11.088 3.815 12.031 211 1HG2 THR 28 1HG2 THR 28 -13.211 1.616 11.996 212 2HG2 THR 28 2HG2 THR 28 -14.159 2.769 11.057 213 3HG2 THR 28 3HG2 THR 28 -13.172 3.331 12.407 214 H GLY 29 H GLY 29 -13.477 3.225 8.652 215 1HA GLY 29 2HA GLY 29 -15.045 1.078 7.395 216 2HA GLY 29 1HA GLY 29 -15.863 2.255 8.409 217 HA PRO 30 HA PRO 30 -16.518 5.248 5.250 218 1HB PRO 30 2HB PRO 30 -14.396 6.969 6.469 219 2HB PRO 30 1HB PRO 30 -16.034 7.396 5.960 220 1HG PRO 30 2HG PRO 30 -15.476 7.042 8.533 221 2HG PRO 30 1HG PRO 30 -17.008 6.466 7.850 222 1HD PRO 30 2HD PRO 30 -14.595 4.922 8.663 223 2HD PRO 30 1HD PRO 30 -16.306 4.451 8.702 224 H GLN 31 H GLN 31 -15.664 6.002 3.281 225 HA GLN 31 HA GLN 31 -12.825 5.613 2.767 226 1HB GLN 31 2HB GLN 31 -15.001 3.946 1.587 227 2HB GLN 31 1HB GLN 31 -13.625 4.367 0.579 228 1HG GLN 31 2HG GLN 31 -12.274 2.931 1.617 229 2HG GLN 31 1HG GLN 31 -12.871 3.376 3.215 230 1HE2 GLN 31 1HE2 GLN 31 -12.929 1.076 0.729 231 2HE2 GLN 31 2HE2 GLN 31 -14.127 0.025 1.396 232 H ALA 32 H ALA 32 -12.207 6.340 0.579 233 HA ALA 32 HA ALA 32 -13.725 7.736 -1.225 234 1HB ALA 32 1HB ALA 32 -12.930 10.132 -0.338 235 2HB ALA 32 2HB ALA 32 -13.146 9.320 1.213 236 3HB ALA 32 3HB ALA 32 -14.495 9.434 0.081 237 H PHE 33 H PHE 33 -11.521 6.141 -1.276 238 HA PHE 33 HA PHE 33 -9.492 5.905 -2.260 239 1HB PHE 33 2HB PHE 33 -10.283 8.615 -3.260 240 2HB PHE 33 1HB PHE 33 -8.663 8.014 -3.568 241 HD1 PHE 33 HD1 PHE 33 -9.067 5.206 -4.066 242 HD2 PHE 33 HD2 PHE 33 -11.432 8.529 -5.269 243 HE1 PHE 33 HE1 PHE 33 -9.885 3.916 -5.983 244 HE2 PHE 33 HE2 PHE 33 -12.261 7.243 -7.197 245 HZ PHE 33 HZ PHE 33 -11.488 4.931 -7.557 246 H SER 34 H SER 34 -7.511 5.908 -1.430 247 HA SER 34 HA SER 34 -6.813 8.096 0.420 248 1HB SER 34 2HB SER 34 -7.184 6.147 1.747 249 2HB SER 34 1HB SER 34 -6.264 5.133 0.634 250 HG SER 34 HG SER 34 -5.293 6.111 2.733 251 H ARG 35 H ARG 35 -4.703 8.832 0.450 252 HA ARG 35 HA ARG 35 -3.186 8.255 -1.982 253 1HB ARG 35 2HB ARG 35 -3.627 10.613 -1.434 254 2HB ARG 35 1HB ARG 35 -2.806 10.412 0.107 255 1HG ARG 35 2HG ARG 35 -0.979 11.131 -0.931 256 2HG ARG 35 1HG ARG 35 -0.931 9.553 -1.718 257 1HD ARG 35 2HD ARG 35 -0.980 10.749 -3.617 258 2HD ARG 35 1HD ARG 35 -2.708 10.866 -3.291 259 HE ARG 35 HE ARG 35 -2.411 13.103 -3.028 260 1HH1 ARG 35 2HH1 ARG 35 0.621 11.528 -2.320 261 2HH1 ARG 35 1HH1 ARG 35 1.471 13.012 -2.047 262 1HH2 ARG 35 1HH2 ARG 35 -1.295 15.056 -2.671 263 2HH2 ARG 35 2HH2 ARG 35 0.383 15.015 -2.245 264 H VAL 36 H VAL 36 -2.194 6.315 -1.549 265 HA VAL 36 HA VAL 36 -0.654 6.061 0.907 266 HB VAL 36 HB VAL 36 -1.018 3.991 -1.255 267 1HG1 VAL 36 1HG1 VAL 36 0.922 3.739 0.304 268 2HG1 VAL 36 2HG1 VAL 36 -0.249 2.422 0.381 269 3HG1 VAL 36 3HG1 VAL 36 -0.232 3.662 1.635 270 1HG2 VAL 36 1HG2 VAL 36 -2.952 3.283 -0.308 271 2HG2 VAL 36 2HG2 VAL 36 -3.064 4.977 0.173 272 3HG2 VAL 36 3HG2 VAL 36 -2.464 3.774 1.314 273 H GLN 37 H GLN 37 1.368 6.553 1.021 274 HA GLN 37 HA GLN 37 3.019 6.534 -1.415 275 1HB GLN 37 2HB GLN 37 3.568 8.108 1.090 276 2HB GLN 37 1HB GLN 37 4.308 8.312 -0.487 277 1HG GLN 37 2HG GLN 37 1.918 8.880 -1.271 278 2HG GLN 37 1HG GLN 37 1.587 9.113 0.442 279 1HE2 GLN 37 1HE2 GLN 37 4.014 10.017 -1.988 280 2HE2 GLN 37 2HE2 GLN 37 4.198 11.646 -1.445 281 H ILE 38 H ILE 38 5.420 6.168 -0.861 282 HA ILE 38 HA ILE 38 5.555 3.989 1.119 283 HB ILE 38 HB ILE 38 7.305 4.391 -1.310 284 1HG1 ILE 38 2HG1 ILE 38 5.029 2.471 -0.772 285 2HG1 ILE 38 1HG1 ILE 38 5.051 3.768 -1.963 286 1HG2 ILE 38 1HG2 ILE 38 8.038 2.051 -0.771 287 2HG2 ILE 38 2HG2 ILE 38 7.196 2.209 0.770 288 3HG2 ILE 38 3HG2 ILE 38 8.552 3.271 0.393 289 1HD1 ILE 38 1HD1 ILE 38 6.186 1.071 -2.080 290 2HD1 ILE 38 2HD1 ILE 38 7.214 2.350 -2.726 291 3HD1 ILE 38 3HD1 ILE 38 5.589 2.116 -3.369 292 H TYR 39 H TYR 39 7.539 3.745 2.311 293 HA TYR 39 HA TYR 39 8.904 6.323 2.700 294 1HB TYR 39 2HB TYR 39 7.917 4.263 4.609 295 2HB TYR 39 1HB TYR 39 9.381 5.148 5.032 296 HD1 TYR 39 HD1 TYR 39 6.134 6.091 3.434 297 HD2 TYR 39 HD2 TYR 39 8.943 6.827 6.538 298 HE1 TYR 39 HE1 TYR 39 4.771 7.982 4.202 299 HE2 TYR 39 HE2 TYR 39 7.594 8.722 7.323 300 HH TYR 39 HH TYR 39 4.990 10.009 5.494 301 H HIS 40 H HIS 40 10.910 6.353 2.015 302 HA HIS 40 HA HIS 40 12.395 3.857 1.741 303 1HB HIS 40 2HB HIS 40 12.273 5.487 -0.155 304 2HB HIS 40 1HB HIS 40 13.176 6.633 0.827 305 HD1 HIS 40 HD1 HIS 40 14.054 5.203 -1.940 306 HD2 HIS 40 HD2 HIS 40 15.422 4.356 1.892 307 HE1 HIS 40 HE1 HIS 40 16.307 4.132 -2.251 308 HE2 HIS 40 HE2 HIS 40 17.148 3.695 0.083 309 H ASN 41 H ASN 41 12.894 3.438 3.903 310 HA ASN 41 HA ASN 41 14.590 5.390 5.288 311 1HB ASN 41 2HB ASN 41 13.429 2.837 6.409 312 2HB ASN 41 1HB ASN 41 14.133 4.175 7.308 313 1HD2 ASN 41 1HD2 ASN 41 11.804 3.496 8.192 314 2HD2 ASN 41 2HD2 ASN 41 10.544 4.556 7.671 315 HA PRO 42 HA PRO 42 17.759 2.401 3.894 316 1HB PRO 42 2HB PRO 42 19.714 4.152 3.448 317 2HB PRO 42 1HB PRO 42 18.385 3.960 2.300 318 1HG PRO 42 2HG PRO 42 18.787 6.064 4.395 319 2HG PRO 42 1HG PRO 42 18.241 6.248 2.718 320 1HD PRO 42 2HD PRO 42 16.549 6.181 4.876 321 2HD PRO 42 1HD PRO 42 16.082 5.691 3.235 322 H THR 43 H THR 43 17.723 4.795 6.420 323 HA THR 43 HA THR 43 20.141 4.464 7.680 324 HB THR 43 HB THR 43 18.830 4.852 9.835 325 HG1 THR 43 HG1 THR 43 16.873 3.902 9.069 326 1HG2 THR 43 1HG2 THR 43 17.799 7.082 8.849 327 2HG2 THR 43 2HG2 THR 43 18.831 6.647 7.487 328 3HG2 THR 43 3HG2 THR 43 19.533 6.867 9.091 329 H ALA 44 H ALA 44 17.409 2.293 7.595 330 HA ALA 44 HA ALA 44 18.992 0.302 9.076 331 1HB ALA 44 1HB ALA 44 17.100 1.108 10.425 332 2HB ALA 44 2HB ALA 44 16.951 -0.602 10.019 333 3HB ALA 44 3HB ALA 44 15.994 0.597 9.150 334 H ASN 45 H ASN 45 17.927 1.093 6.117 335 HA ASN 45 HA ASN 45 17.641 -0.026 4.165 336 1HB ASN 45 2HB ASN 45 19.404 -1.622 5.693 337 2HB ASN 45 1HB ASN 45 18.245 -2.728 4.963 338 1HD2 ASN 45 1HD2 ASN 45 17.741 -1.253 2.602 339 2HD2 ASN 45 2HD2 ASN 45 19.168 -1.316 1.629 340 H SER 46 H SER 46 15.408 0.431 5.542 341 HA SER 46 HA SER 46 13.789 -1.942 4.934 342 1HB SER 46 2HB SER 46 12.421 -0.974 7.068 343 2HB SER 46 1HB SER 46 13.612 -2.271 7.178 344 HG SER 46 HG SER 46 14.000 0.491 7.691 345 H PHE 47 H PHE 47 11.610 -1.500 4.363 346 HA PHE 47 HA PHE 47 11.110 1.328 3.700 347 1HB PHE 47 2HB PHE 47 10.523 -1.183 2.147 348 2HB PHE 47 1HB PHE 47 9.665 0.315 1.829 349 HD1 PHE 47 HD1 PHE 47 12.711 -1.530 1.345 350 HD2 PHE 47 HD2 PHE 47 10.935 2.321 1.110 351 HE1 PHE 47 HE1 PHE 47 14.554 -0.774 -0.105 352 HE2 PHE 47 HE2 PHE 47 12.769 3.089 -0.341 353 HZ PHE 47 HZ PHE 47 14.584 1.539 -0.948 354 H ARG 48 H ARG 48 8.640 1.644 3.240 355 HA ARG 48 HA ARG 48 6.852 0.016 4.765 356 1HB ARG 48 2HB ARG 48 7.943 1.181 6.610 357 2HB ARG 48 1HB ARG 48 7.599 2.732 5.857 358 1HG ARG 48 2HG ARG 48 5.416 2.712 6.477 359 2HG ARG 48 1HG ARG 48 5.303 0.953 6.426 360 1HD ARG 48 2HD ARG 48 6.102 0.701 8.553 361 2HD ARG 48 1HD ARG 48 7.066 2.177 8.479 362 HE ARG 48 HE ARG 48 4.211 2.600 8.483 363 1HH1 ARG 48 2HH1 ARG 48 7.083 2.252 10.439 364 2HH1 ARG 48 1HH1 ARG 48 6.413 3.096 11.794 365 1HH2 ARG 48 1HH2 ARG 48 3.331 3.711 10.266 366 2HH2 ARG 48 2HH2 ARG 48 4.283 3.923 11.696 367 H VAL 49 H VAL 49 4.676 0.588 4.529 368 HA VAL 49 HA VAL 49 4.177 2.529 2.378 369 HB VAL 49 HB VAL 49 3.510 0.304 1.741 370 1HG1 VAL 49 1HG1 VAL 49 3.296 -0.883 3.736 371 2HG1 VAL 49 2HG1 VAL 49 1.651 -0.813 3.106 372 3HG1 VAL 49 3HG1 VAL 49 2.144 0.268 4.409 373 1HG2 VAL 49 1HG2 VAL 49 1.275 0.687 1.100 374 2HG2 VAL 49 2HG2 VAL 49 2.009 2.286 1.226 375 3HG2 VAL 49 3HG2 VAL 49 0.958 1.694 2.513 376 H VAL 50 H VAL 50 2.818 4.221 2.729 377 HA VAL 50 HA VAL 50 1.170 4.234 5.147 378 HB VAL 50 HB VAL 50 2.671 6.739 4.564 379 1HG1 VAL 50 1HG1 VAL 50 1.009 6.868 6.249 380 2HG1 VAL 50 2HG1 VAL 50 2.566 6.855 7.075 381 3HG1 VAL 50 3HG1 VAL 50 1.584 5.390 7.023 382 1HG2 VAL 50 1HG2 VAL 50 4.503 6.008 6.080 383 2HG2 VAL 50 2HG2 VAL 50 4.479 5.155 4.537 384 3HG2 VAL 50 3HG2 VAL 50 3.867 4.365 5.990 385 H GLY 51 H GLY 51 -0.819 4.870 4.660 386 1HA GLY 51 2HA GLY 51 -1.183 6.911 2.580 387 2HA GLY 51 1HA GLY 51 -2.044 5.388 2.429 388 H ARG 52 H ARG 52 -2.955 8.205 2.790 389 HA ARG 52 HA ARG 52 -4.701 7.703 5.104 390 1HB ARG 52 2HB ARG 52 -4.663 10.079 5.655 391 2HB ARG 52 1HB ARG 52 -3.037 9.411 5.702 392 1HG ARG 52 2HG ARG 52 -2.315 10.701 4.011 393 2HG ARG 52 1HG ARG 52 -3.837 10.579 3.127 394 1HD ARG 52 2HD ARG 52 -4.857 12.200 4.632 395 2HD ARG 52 1HD ARG 52 -3.365 12.294 5.564 396 HE ARG 52 HE ARG 52 -3.929 13.580 3.055 397 1HH1 ARG 52 2HH1 ARG 52 -1.411 12.408 5.169 398 2HH1 ARG 52 1HH1 ARG 52 -0.204 13.472 4.527 399 1HH2 ARG 52 1HH2 ARG 52 -2.342 14.980 2.210 400 2HH2 ARG 52 2HH2 ARG 52 -0.733 14.934 2.849 401 H LYS 53 H LYS 53 -6.836 8.266 4.870 402 HA LYS 53 HA LYS 53 -7.868 8.322 2.237 403 1HB LYS 53 2HB LYS 53 -8.884 7.718 4.703 404 2HB LYS 53 1HB LYS 53 -9.670 9.253 4.364 405 1HG LYS 53 2HG LYS 53 -11.190 8.030 3.287 406 2HG LYS 53 1HG LYS 53 -9.986 7.915 2.002 407 1HD LYS 53 2HD LYS 53 -9.218 5.920 3.722 408 2HD LYS 53 1HD LYS 53 -10.978 5.869 3.840 409 1HE LYS 53 2HE LYS 53 -11.220 5.097 1.741 410 2HE LYS 53 1HE LYS 53 -9.933 6.122 1.108 411 1HZ LYS 53 1HZ LYS 53 -9.190 3.866 2.820 412 2HZ LYS 53 2HZ LYS 53 -8.354 4.554 1.521 413 3HZ LYS 53 3HZ LYS 53 -9.671 3.533 1.233 414 H MET 54 H MET 54 -9.458 9.994 1.477 415 HA MET 54 HA MET 54 -8.339 12.670 1.955 416 1HB MET 54 2HB MET 54 -9.989 11.821 -0.421 417 2HB MET 54 1HB MET 54 -9.005 13.269 -0.255 418 1HG MET 54 2HG MET 54 -7.000 12.048 -0.417 419 2HG MET 54 1HG MET 54 -7.831 10.510 -0.196 420 1HE MET 54 1HE MET 54 -6.300 10.045 -3.363 421 2HE MET 54 2HE MET 54 -5.743 11.026 -2.008 422 3HE MET 54 3HE MET 54 -6.038 11.775 -3.578 423 H GLN 55 H GLN 55 -10.097 11.836 3.843 424 HA GLN 55 HA GLN 55 -12.650 13.127 3.157 425 1HB GLN 55 2HB GLN 55 -13.295 12.070 5.467 426 2HB GLN 55 1HB GLN 55 -13.244 11.072 4.025 427 1HG GLN 55 2HG GLN 55 -11.449 9.895 4.732 428 2HG GLN 55 1HG GLN 55 -10.755 11.259 5.606 429 1HE2 GLN 55 1HE2 GLN 55 -11.193 8.468 6.420 430 2HE2 GLN 55 2HE2 GLN 55 -12.139 8.546 7.863 431 HA PRO 56 HA PRO 56 -11.883 16.549 5.825 432 1HB PRO 56 2HB PRO 56 -14.254 16.925 7.092 433 2HB PRO 56 1HB PRO 56 -14.009 17.301 5.382 434 1HG PRO 56 2HG PRO 56 -15.262 14.886 6.629 435 2HG PRO 56 1HG PRO 56 -15.798 15.823 5.223 436 1HD PRO 56 2HD PRO 56 -14.469 13.478 4.988 437 2HD PRO 56 1HD PRO 56 -14.301 14.791 3.806 438 H ASP 57 H ASP 57 -10.759 14.336 6.938 439 HA ASP 57 HA ASP 57 -10.882 14.940 9.738 440 1HB ASP 57 2HB ASP 57 -12.083 12.427 8.661 441 2HB ASP 57 1HB ASP 57 -11.204 12.348 10.186 442 H GLN 58 H GLN 58 -9.654 12.937 7.124 443 HA GLN 58 HA GLN 58 -7.579 12.159 6.644 444 1HB GLN 58 2HB GLN 58 -6.719 13.976 8.902 445 2HB GLN 58 1HB GLN 58 -5.629 13.173 7.783 446 1HG GLN 58 2HG GLN 58 -7.698 14.709 6.438 447 2HG GLN 58 1HG GLN 58 -6.684 15.690 7.496 448 1HE2 GLN 58 1HE2 GLN 58 -7.013 14.866 4.434 449 2HE2 GLN 58 2HE2 GLN 58 -5.365 14.840 3.913 450 H GLN 59 H GLN 59 -7.256 10.097 7.025 451 HA GLN 59 HA GLN 59 -6.390 9.210 9.647 452 1HB GLN 59 2HB GLN 59 -8.719 8.891 9.969 453 2HB GLN 59 1HB GLN 59 -8.936 8.260 8.344 454 1HG GLN 59 2HG GLN 59 -8.582 6.185 9.027 455 2HG GLN 59 1HG GLN 59 -7.070 6.637 9.811 456 1HE2 GLN 59 1HE2 GLN 59 -9.828 5.144 10.388 457 2HE2 GLN 59 2HE2 GLN 59 -10.088 5.542 12.048 458 H VAL 60 H VAL 60 -4.724 7.866 9.369 459 HA VAL 60 HA VAL 60 -3.915 7.007 6.804 460 HB VAL 60 HB VAL 60 -2.123 5.816 7.893 461 1HG1 VAL 60 1HG1 VAL 60 -1.034 7.681 8.515 462 2HG1 VAL 60 2HG1 VAL 60 -2.242 8.105 9.729 463 3HG1 VAL 60 3HG1 VAL 60 -2.523 8.493 8.031 464 1HG2 VAL 60 1HG2 VAL 60 -3.998 5.717 10.117 465 2HG2 VAL 60 2HG2 VAL 60 -2.382 6.219 10.612 466 3HG2 VAL 60 3HG2 VAL 60 -2.608 4.691 9.761 467 H VAL 61 H VAL 61 -4.490 5.304 5.651 468 HA VAL 61 HA VAL 61 -6.214 3.293 6.870 469 HB VAL 61 HB VAL 61 -6.833 2.647 4.646 470 1HG1 VAL 61 1HG1 VAL 61 -8.188 4.401 4.453 471 2HG1 VAL 61 2HG1 VAL 61 -6.856 5.453 3.972 472 3HG1 VAL 61 3HG1 VAL 61 -7.218 5.211 5.682 473 1HG2 VAL 61 1HG2 VAL 61 -4.565 4.415 3.744 474 2HG2 VAL 61 2HG2 VAL 61 -5.811 3.791 2.664 475 3HG2 VAL 61 3HG2 VAL 61 -4.736 2.676 3.507 476 H ILE 62 H ILE 62 -2.985 3.661 5.725 477 HA ILE 62 HA ILE 62 -2.465 0.851 6.337 478 HB ILE 62 HB ILE 62 -2.710 0.993 3.876 479 1HG1 ILE 62 2HG1 ILE 62 0.205 0.571 4.448 480 2HG1 ILE 62 1HG1 ILE 62 -0.997 -0.490 5.175 481 1HG2 ILE 62 1HG2 ILE 62 -1.353 2.313 2.513 482 2HG2 ILE 62 2HG2 ILE 62 -0.212 2.650 3.816 483 3HG2 ILE 62 3HG2 ILE 62 -1.813 3.393 3.830 484 1HD1 ILE 62 1HD1 ILE 62 -0.208 -0.187 2.324 485 2HD1 ILE 62 2HD1 ILE 62 -1.843 -0.719 2.716 486 3HD1 ILE 62 3HD1 ILE 62 -0.455 -1.648 3.279 487 H ASN 63 H ASN 63 -0.504 0.493 7.298 488 HA ASN 63 HA ASN 63 1.621 2.402 7.222 489 1HB ASN 63 2HB ASN 63 1.558 2.983 9.630 490 2HB ASN 63 1HB ASN 63 0.158 3.590 8.758 491 1HD2 ASN 63 1HD2 ASN 63 -0.693 3.720 10.970 492 2HD2 ASN 63 2HD2 ASN 63 -1.466 2.324 11.632 493 H CYS 64 H CYS 64 2.205 0.122 6.457 494 HA CYS 64 HA CYS 64 3.329 -1.349 8.750 495 1HB CYS 64 2HB CYS 64 1.323 -2.450 7.546 496 2HB CYS 64 1HB CYS 64 2.457 -2.742 6.231 497 HG CYS 64 HG CYS 64 2.865 -4.817 7.498 498 H ALA 65 H ALA 65 5.451 -1.774 8.633 499 HA ALA 65 HA ALA 65 6.980 -0.697 6.467 500 1HB ALA 65 1HB ALA 65 8.825 -2.019 7.904 501 2HB ALA 65 2HB ALA 65 7.551 -1.860 9.114 502 3HB ALA 65 3HB ALA 65 8.212 -0.422 8.337 503 H ILE 66 H ILE 66 7.998 -1.722 4.817 504 HA ILE 66 HA ILE 66 7.542 -4.622 4.591 505 HB ILE 66 HB ILE 66 8.006 -4.208 2.112 506 1HG1 ILE 66 2HG1 ILE 66 6.990 -1.455 2.435 507 2HG1 ILE 66 1HG1 ILE 66 8.678 -1.708 2.879 508 1HG2 ILE 66 1HG2 ILE 66 5.490 -2.869 3.029 509 2HG2 ILE 66 2HG2 ILE 66 5.759 -4.587 3.325 510 3HG2 ILE 66 3HG2 ILE 66 5.738 -3.970 1.674 511 1HD1 ILE 66 1HD1 ILE 66 9.070 -1.357 0.710 512 2HD1 ILE 66 2HD1 ILE 66 7.404 -1.702 0.251 513 3HD1 ILE 66 3HD1 ILE 66 8.539 -3.029 0.511 514 H VAL 67 H VAL 67 9.193 -5.784 3.279 515 HA VAL 67 HA VAL 67 11.849 -4.679 3.181 516 HB VAL 67 HB VAL 67 12.832 -6.491 4.618 517 1HG1 VAL 67 1HG1 VAL 67 12.496 -4.127 5.363 518 2HG1 VAL 67 2HG1 VAL 67 12.530 -5.308 6.671 519 3HG1 VAL 67 3HG1 VAL 67 10.991 -4.642 6.126 520 1HG2 VAL 67 1HG2 VAL 67 11.153 -8.111 4.785 521 2HG2 VAL 67 2HG2 VAL 67 9.928 -6.925 5.238 522 3HG2 VAL 67 3HG2 VAL 67 11.193 -7.368 6.384 523 H ARG 68 H ARG 68 13.401 -6.790 2.787 524 HA ARG 68 HA ARG 68 12.700 -7.744 0.256 525 1HB ARG 68 2HB ARG 68 14.993 -7.749 0.752 526 2HB ARG 68 1HB ARG 68 14.762 -8.575 2.284 527 1HG ARG 68 2HG ARG 68 13.855 -10.261 0.156 528 2HG ARG 68 1HG ARG 68 15.479 -9.682 -0.201 529 1HD ARG 68 2HD ARG 68 16.205 -10.425 2.036 530 2HD ARG 68 1HD ARG 68 14.588 -11.061 2.327 531 HE ARG 68 HE ARG 68 15.453 -12.229 -0.015 532 1HH1 ARG 68 2HH1 ARG 68 16.511 -12.127 3.308 533 2HH1 ARG 68 1HH1 ARG 68 17.238 -13.698 3.256 534 1HH2 ARG 68 1HH2 ARG 68 16.409 -14.296 -0.086 535 2HH2 ARG 68 2HH2 ARG 68 17.181 -14.929 1.329 536 H GLY 69 H GLY 69 10.601 -8.667 0.364 537 1HA GLY 69 2HA GLY 69 10.469 -11.424 0.687 538 2HA GLY 69 1HA GLY 69 9.918 -10.723 2.198 539 H VAL 70 H VAL 70 8.708 -8.377 0.823 540 HA VAL 70 HA VAL 70 6.213 -9.699 0.158 541 HB VAL 70 HB VAL 70 6.997 -6.893 0.818 542 1HG1 VAL 70 1HG1 VAL 70 4.788 -7.656 -0.990 543 2HG1 VAL 70 2HG1 VAL 70 5.692 -6.148 -0.875 544 3HG1 VAL 70 3HG1 VAL 70 4.409 -6.498 0.285 545 1HG2 VAL 70 1HG2 VAL 70 4.476 -8.058 1.764 546 2HG2 VAL 70 2HG2 VAL 70 5.748 -7.221 2.657 547 3HG2 VAL 70 3HG2 VAL 70 5.930 -8.929 2.256 548 H LYS 71 H LYS 71 5.368 -9.917 -1.815 549 HA LYS 71 HA LYS 71 6.751 -8.601 -4.059 550 1HB LYS 71 2HB LYS 71 7.070 -11.104 -3.861 551 2HB LYS 71 1HB LYS 71 5.350 -11.271 -4.185 552 1HG LYS 71 2HG LYS 71 6.508 -11.624 -6.227 553 2HG LYS 71 1HG LYS 71 5.718 -10.049 -6.333 554 1HD LYS 71 2HD LYS 71 7.747 -9.367 -7.041 555 2HD LYS 71 1HD LYS 71 8.116 -9.330 -5.315 556 1HE LYS 71 2HE LYS 71 8.701 -11.872 -5.758 557 2HE LYS 71 1HE LYS 71 8.946 -11.279 -7.401 558 1HZ LYS 71 1HZ LYS 71 10.331 -9.466 -6.164 559 2HZ LYS 71 2HZ LYS 71 11.012 -10.975 -6.512 560 3HZ LYS 71 3HZ LYS 71 10.437 -10.647 -4.955 561 H TYR 72 H TYR 72 5.523 -7.105 -4.952 562 HA TYR 72 HA TYR 72 2.777 -6.778 -4.499 563 1HB TYR 72 2HB TYR 72 4.853 -5.510 -6.134 564 2HB TYR 72 1HB TYR 72 3.253 -5.419 -6.854 565 HD1 TYR 72 HD1 TYR 72 3.047 -3.026 -6.621 566 HD2 TYR 72 HD2 TYR 72 3.788 -5.477 -3.221 567 HE1 TYR 72 HE1 TYR 72 2.514 -1.129 -5.148 568 HE2 TYR 72 HE2 TYR 72 3.259 -3.595 -1.739 569 HH TYR 72 HH TYR 72 3.263 -0.541 -2.570 570 H ASN 73 H ASN 73 1.327 -8.273 -5.076 571 HA ASN 73 HA ASN 73 1.576 -9.628 -7.652 572 1HB ASN 73 2HB ASN 73 0.765 -10.498 -5.144 573 2HB ASN 73 1HB ASN 73 -0.746 -10.346 -6.035 574 1HD2 ASN 73 1HD2 ASN 73 -0.056 -11.041 -8.549 575 2HD2 ASN 73 2HD2 ASN 73 0.487 -12.681 -8.594 576 H GLN 74 H GLN 74 1.019 -7.893 -9.013 577 HA GLN 74 HA GLN 74 -1.214 -6.254 -8.791 578 1HB GLN 74 2HB GLN 74 0.713 -6.024 -10.409 579 2HB GLN 74 1HB GLN 74 -0.066 -7.254 -11.397 580 1HG GLN 74 2HG GLN 74 -1.996 -5.269 -10.790 581 2HG GLN 74 1HG GLN 74 -0.531 -4.459 -11.340 582 1HE2 GLN 74 1HE2 GLN 74 -3.092 -6.646 -12.186 583 2HE2 GLN 74 2HE2 GLN 74 -2.810 -6.641 -13.891 584 H ALA 75 H ALA 75 -3.030 -7.391 -8.134 585 HA ALA 75 HA ALA 75 -4.039 -9.722 -9.311 586 1HB ALA 75 1HB ALA 75 -5.067 -9.327 -7.317 587 2HB ALA 75 2HB ALA 75 -6.289 -8.647 -8.392 588 3HB ALA 75 3HB ALA 75 -5.143 -7.584 -7.575 589 H THR 76 H THR 76 -5.118 -6.359 -9.795 590 HA THR 76 HA THR 76 -5.935 -7.099 -12.524 591 HB THR 76 HB THR 76 -8.000 -6.060 -12.338 592 HG1 THR 76 HG1 THR 76 -6.793 -4.538 -10.311 593 1HG2 THR 76 1HG2 THR 76 -9.068 -6.628 -10.196 594 2HG2 THR 76 2HG2 THR 76 -7.480 -7.027 -9.540 595 3HG2 THR 76 3HG2 THR 76 -8.140 -7.961 -10.882 596 HA PRO 77 HA PRO 77 -3.723 -3.699 -14.225 597 1HB PRO 77 2HB PRO 77 -5.840 -2.207 -15.350 598 2HB PRO 77 1HB PRO 77 -4.864 -3.435 -16.159 599 1HG PRO 77 2HG PRO 77 -7.554 -3.670 -14.912 600 2HG PRO 77 1HG PRO 77 -6.887 -4.511 -16.324 601 1HD PRO 77 2HD PRO 77 -7.168 -5.758 -13.978 602 2HD PRO 77 1HD PRO 77 -5.762 -6.070 -15.017 603 H ASN 78 H ASN 78 -6.542 -3.021 -12.262 604 HA ASN 78 HA ASN 78 -5.224 -0.563 -11.329 605 1HB ASN 78 2HB ASN 78 -7.409 0.499 -11.060 606 2HB ASN 78 1HB ASN 78 -7.159 0.017 -12.735 607 1HD2 ASN 78 1HD2 ASN 78 -9.177 -0.169 -10.048 608 2HD2 ASN 78 2HD2 ASN 78 -10.287 -1.348 -10.649 609 H PHE 79 H PHE 79 -4.501 -2.582 -9.930 610 HA PHE 79 HA PHE 79 -5.521 -2.163 -7.346 611 1HB PHE 79 2HB PHE 79 -7.367 -3.582 -8.449 612 2HB PHE 79 1HB PHE 79 -6.218 -4.912 -8.358 613 HD1 PHE 79 HD1 PHE 79 -5.200 -5.380 -6.017 614 HD2 PHE 79 HD2 PHE 79 -8.768 -3.154 -6.668 615 HE1 PHE 79 HE1 PHE 79 -5.892 -5.819 -3.697 616 HE2 PHE 79 HE2 PHE 79 -9.466 -3.587 -4.349 617 HZ PHE 79 HZ PHE 79 -8.028 -4.922 -2.860 618 H HIS 80 H HIS 80 -3.958 -2.676 -5.931 619 HA HIS 80 HA HIS 80 -1.920 -4.624 -6.799 620 1HB HIS 80 2HB HIS 80 -1.649 -1.882 -5.816 621 2HB HIS 80 1HB HIS 80 -0.632 -3.034 -4.955 622 HD1 HIS 80 HD1 HIS 80 -0.701 -1.011 -7.940 623 HD2 HIS 80 HD2 HIS 80 1.008 -4.635 -6.844 624 HE1 HIS 80 HE1 HIS 80 1.084 -1.454 -9.651 625 HE2 HIS 80 HE2 HIS 80 2.165 -3.608 -8.917 626 H GLN 81 H GLN 81 -0.977 -5.948 -5.186 627 HA GLN 81 HA GLN 81 -1.981 -5.862 -2.485 628 1HB GLN 81 2HB GLN 81 -3.861 -6.962 -3.465 629 2HB GLN 81 1HB GLN 81 -2.828 -8.034 -4.400 630 1HG GLN 81 2HG GLN 81 -2.023 -8.952 -2.172 631 2HG GLN 81 1HG GLN 81 -3.375 -8.081 -1.452 632 1HE2 GLN 81 1HE2 GLN 81 -2.646 -11.008 -1.919 633 2HE2 GLN 81 2HE2 GLN 81 -4.091 -11.687 -2.579 634 H TRP 82 H TRP 82 -0.862 -7.237 -1.061 635 HA TRP 82 HA TRP 82 1.217 -8.969 -2.102 636 1HB TRP 82 2HB TRP 82 2.949 -7.854 -0.633 637 2HB TRP 82 1HB TRP 82 2.506 -6.973 -2.085 638 HD1 TRP 82 HD1 TRP 82 2.607 -6.674 1.654 639 HE1 TRP 82 HE1 TRP 82 1.756 -4.350 2.360 640 HE3 TRP 82 HE3 TRP 82 0.706 -5.119 -2.823 641 HZ2 TRP 82 HZ2 TRP 82 0.450 -2.147 1.173 642 HZ3 TRP 82 HZ3 TRP 82 -0.325 -2.895 -2.958 643 HH2 TRP 82 HH2 TRP 82 -0.453 -1.437 -1.000 644 H ARG 83 H ARG 83 2.404 -10.072 -0.346 645 HA ARG 83 HA ARG 83 0.730 -10.403 2.054 646 1HB ARG 83 2HB ARG 83 0.618 -12.321 0.411 647 2HB ARG 83 1HB ARG 83 2.330 -12.588 0.710 648 1HG ARG 83 2HG ARG 83 1.782 -12.898 3.125 649 2HG ARG 83 1HG ARG 83 0.074 -12.824 2.687 650 1HD ARG 83 2HD ARG 83 0.614 -14.701 1.029 651 2HD ARG 83 1HD ARG 83 2.120 -14.886 1.928 652 HE ARG 83 HE ARG 83 0.944 -15.916 3.590 653 1HH1 ARG 83 2HH1 ARG 83 -1.294 -14.127 1.597 654 2HH1 ARG 83 1HH1 ARG 83 -2.698 -14.741 2.404 655 1HH2 ARG 83 1HH2 ARG 83 -0.902 -16.725 4.652 656 2HH2 ARG 83 2HH2 ARG 83 -2.476 -16.215 4.139 657 H ASP 84 H ASP 84 1.802 -9.649 3.757 658 HA ASP 84 HA ASP 84 4.715 -9.606 3.717 659 1HB ASP 84 2HB ASP 84 4.140 -7.550 4.495 660 2HB ASP 84 1HB ASP 84 2.589 -8.098 5.107 661 H ALA 85 H ALA 85 2.037 -11.023 5.477 662 HA ALA 85 HA ALA 85 3.630 -13.197 6.407 663 1HB ALA 85 1HB ALA 85 3.991 -12.717 8.587 664 2HB ALA 85 2HB ALA 85 2.497 -11.794 8.742 665 3HB ALA 85 3HB ALA 85 3.920 -11.052 8.012 666 H ARG 86 H ARG 86 0.813 -11.444 7.667 667 HA ARG 86 HA ARG 86 -0.940 -13.605 6.772 668 1HB ARG 86 2HB ARG 86 -0.290 -14.126 9.117 669 2HB ARG 86 1HB ARG 86 -0.958 -12.578 9.617 670 1HG ARG 86 2HG ARG 86 -3.156 -13.245 9.146 671 2HG ARG 86 1HG ARG 86 -2.622 -14.622 8.183 672 1HD ARG 86 2HD ARG 86 -3.496 -15.239 10.426 673 2HD ARG 86 1HD ARG 86 -1.838 -15.763 10.141 674 HE ARG 86 HE ARG 86 -2.723 -13.663 11.968 675 1HH1 ARG 86 2HH1 ARG 86 -0.076 -15.458 10.553 676 2HH1 ARG 86 1HH1 ARG 86 1.059 -14.969 11.764 677 1HH2 ARG 86 1HH2 ARG 86 -1.224 -13.026 13.554 678 2HH2 ARG 86 2HH2 ARG 86 0.411 -13.592 13.465 679 H GLN 87 H GLN 87 -0.309 -10.631 6.324 680 HA GLN 87 HA GLN 87 -3.101 -9.720 6.437 681 1HB GLN 87 2HB GLN 87 -1.318 -8.625 8.046 682 2HB GLN 87 1HB GLN 87 -0.851 -7.755 6.591 683 1HG GLN 87 2HG GLN 87 -2.438 -6.291 7.056 684 2HG GLN 87 1HG GLN 87 -3.620 -7.543 6.679 685 1HE2 GLN 87 1HE2 GLN 87 -3.020 -9.225 8.893 686 2HE2 GLN 87 2HE2 GLN 87 -3.605 -8.441 10.315 687 H VAL 88 H VAL 88 -3.839 -9.600 4.429 688 HA VAL 88 HA VAL 88 -1.983 -9.088 2.230 689 HB VAL 88 HB VAL 88 -4.911 -9.577 1.840 690 1HG1 VAL 88 1HG1 VAL 88 -2.514 -9.505 0.215 691 2HG1 VAL 88 2HG1 VAL 88 -4.209 -9.426 -0.264 692 3HG1 VAL 88 3HG1 VAL 88 -3.434 -10.991 -0.022 693 1HG2 VAL 88 1HG2 VAL 88 -2.854 -11.581 2.686 694 2HG2 VAL 88 2HG2 VAL 88 -4.193 -12.059 1.642 695 3HG2 VAL 88 3HG2 VAL 88 -4.518 -11.388 3.239 696 H TRP 89 H TRP 89 -1.606 -7.012 1.858 697 HA TRP 89 HA TRP 89 -3.699 -5.053 2.354 698 1HB TRP 89 2HB TRP 89 -0.754 -4.789 1.769 699 2HB TRP 89 1HB TRP 89 -1.835 -3.406 1.935 700 HD1 TRP 89 HD1 TRP 89 -0.287 -6.258 4.000 701 HE1 TRP 89 HE1 TRP 89 -0.455 -5.639 6.495 702 HE3 TRP 89 HE3 TRP 89 -3.094 -2.006 3.590 703 HZ2 TRP 89 HZ2 TRP 89 -1.624 -3.603 8.078 704 HZ3 TRP 89 HZ3 TRP 89 -3.690 -0.780 5.637 705 HH2 TRP 89 HH2 TRP 89 -2.976 -1.563 7.832 706 H GLY 90 H GLY 90 -5.074 -5.502 0.619 707 1HA GLY 90 2HA GLY 90 -4.037 -4.996 -2.070 708 2HA GLY 90 1HA GLY 90 -5.599 -5.683 -1.692 709 H LEU 91 H LEU 91 -4.432 -3.178 -3.181 710 HA LEU 91 HA LEU 91 -6.410 -1.327 -2.025 711 1HB LEU 91 2HB LEU 91 -4.202 -0.123 -3.556 712 2HB LEU 91 1HB LEU 91 -4.997 0.433 -2.101 713 HG LEU 91 HG LEU 91 -2.739 0.030 -1.530 714 1HD1 LEU 91 1HD1 LEU 91 -3.395 -2.480 -0.371 715 2HD1 LEU 91 2HD1 LEU 91 -4.838 -1.468 -0.368 716 3HD1 LEU 91 3HD1 LEU 91 -3.354 -0.887 0.386 717 1HD2 LEU 91 1HD2 LEU 91 -2.922 -2.000 -3.508 718 2HD2 LEU 91 2HD2 LEU 91 -2.365 -2.737 -2.006 719 3HD2 LEU 91 3HD2 LEU 91 -1.490 -1.372 -2.697 720 H ASN 92 H ASN 92 -7.919 -0.583 -3.338 721 HA ASN 92 HA ASN 92 -7.754 -1.283 -6.176 722 1HB ASN 92 2HB ASN 92 -9.828 -1.646 -4.630 723 2HB ASN 92 1HB ASN 92 -10.117 0.068 -4.904 724 1HD2 ASN 92 1HD2 ASN 92 -9.309 0.298 -7.556 725 2HD2 ASN 92 2HD2 ASN 92 -10.397 -0.603 -8.543 726 H PHE 93 H PHE 93 -6.768 0.145 -7.424 727 HA PHE 93 HA PHE 93 -6.524 2.907 -6.733 728 1HB PHE 93 2HB PHE 93 -5.810 1.491 -9.301 729 2HB PHE 93 1HB PHE 93 -5.302 3.110 -8.841 730 HD1 PHE 93 HD1 PHE 93 -3.698 3.415 -6.964 731 HD2 PHE 93 HD2 PHE 93 -4.727 -0.428 -8.460 732 HE1 PHE 93 HE1 PHE 93 -1.735 2.458 -5.844 733 HE2 PHE 93 HE2 PHE 93 -2.760 -1.390 -7.352 734 HZ PHE 93 HZ PHE 93 -1.263 0.050 -6.038 735 H GLY 94 H GLY 94 -7.052 4.668 -8.228 736 1HA GLY 94 2HA GLY 94 -9.839 4.433 -9.034 737 2HA GLY 94 1HA GLY 94 -8.896 5.914 -8.953 738 H SER 95 H SER 95 -6.704 4.659 -10.531 739 HA SER 95 HA SER 95 -7.932 4.210 -13.128 740 1HB SER 95 2HB SER 95 -5.882 6.405 -12.859 741 2HB SER 95 1HB SER 95 -6.918 6.039 -14.238 742 HG SER 95 HG SER 95 -7.740 7.811 -13.121 743 H LYS 96 H LYS 96 -5.980 4.104 -14.816 744 HA LYS 96 HA LYS 96 -4.372 1.918 -13.940 745 1HB LYS 96 2HB LYS 96 -4.148 3.508 -16.499 746 2HB LYS 96 1HB LYS 96 -3.484 1.908 -16.201 747 1HG LYS 96 2HG LYS 96 -5.390 0.925 -16.765 748 2HG LYS 96 1HG LYS 96 -6.322 1.964 -15.687 749 1HD LYS 96 2HD LYS 96 -5.385 3.362 -18.063 750 2HD LYS 96 1HD LYS 96 -6.410 1.978 -18.448 751 1HE LYS 96 2HE LYS 96 -8.249 2.878 -17.419 752 2HE LYS 96 1HE LYS 96 -7.286 3.832 -16.293 753 1HZ LYS 96 1HZ LYS 96 -6.610 4.990 -18.575 754 2HZ LYS 96 2HZ LYS 96 -7.937 5.491 -17.652 755 3HZ LYS 96 3HZ LYS 96 -8.171 4.480 -18.987 756 H GLU 97 H GLU 97 -3.826 5.345 -14.447 757 HA GLU 97 HA GLU 97 -1.013 5.317 -14.379 758 1HB GLU 97 2HB GLU 97 -2.959 7.481 -13.564 759 2HB GLU 97 1HB GLU 97 -1.227 7.719 -13.746 760 1HG GLU 97 2HG GLU 97 -1.957 8.454 -15.772 761 2HG GLU 97 1HG GLU 97 -1.664 6.757 -16.144 762 H ASP 98 H ASP 98 -3.376 5.914 -11.780 763 HA ASP 98 HA ASP 98 -1.619 6.325 -9.684 764 1HB ASP 98 2HB ASP 98 -4.202 4.776 -9.434 765 2HB ASP 98 1HB ASP 98 -3.420 5.767 -8.207 766 H ALA 99 H ALA 99 -3.171 3.234 -10.540 767 HA ALA 99 HA ALA 99 -1.823 1.590 -8.779 768 1HB ALA 99 1HB ALA 99 -3.771 1.051 -10.341 769 2HB ALA 99 2HB ALA 99 -2.583 -0.221 -10.048 770 3HB ALA 99 3HB ALA 99 -2.536 0.698 -11.552 771 H ALA 100 H ALA 100 -0.752 2.852 -11.880 772 HA ALA 100 HA ALA 100 1.545 1.157 -12.074 773 1HB ALA 100 1HB ALA 100 1.488 3.761 -13.494 774 2HB ALA 100 2HB ALA 100 0.236 2.583 -13.892 775 3HB ALA 100 3HB ALA 100 1.938 2.159 -14.078 776 H GLN 101 H GLN 101 0.889 4.319 -10.713 777 HA GLN 101 HA GLN 101 3.630 5.036 -10.338 778 1HB GLN 101 2HB GLN 101 1.641 6.622 -10.479 779 2HB GLN 101 1HB GLN 101 1.270 6.149 -8.827 780 1HG GLN 101 2HG GLN 101 2.491 8.227 -8.848 781 2HG GLN 101 1HG GLN 101 3.466 6.957 -8.109 782 1HE2 GLN 101 1HE2 GLN 101 5.115 5.960 -9.438 783 2HE2 GLN 101 2HE2 GLN 101 5.896 6.898 -10.662 784 H PHE 102 H PHE 102 1.077 3.792 -8.212 785 HA PHE 102 HA PHE 102 2.417 3.797 -5.806 786 1HB PHE 102 2HB PHE 102 0.004 3.169 -6.239 787 2HB PHE 102 1HB PHE 102 0.573 1.573 -6.684 788 HD1 PHE 102 HD1 PHE 102 1.215 3.997 -3.931 789 HD2 PHE 102 HD2 PHE 102 0.305 -0.013 -5.040 790 HE1 PHE 102 HE1 PHE 102 1.176 3.355 -1.560 791 HE2 PHE 102 HE2 PHE 102 0.265 -0.658 -2.668 792 HZ PHE 102 HZ PHE 102 0.698 1.024 -0.923 793 H ALA 103 H ALA 103 2.306 1.119 -8.163 794 HA ALA 103 HA ALA 103 4.108 -0.554 -6.790 795 1HB ALA 103 1HB ALA 103 3.264 -1.885 -8.364 796 2HB ALA 103 2HB ALA 103 4.419 -1.154 -9.479 797 3HB ALA 103 3HB ALA 103 2.780 -0.513 -9.361 798 H ALA 104 H ALA 104 4.557 2.128 -8.958 799 HA ALA 104 HA ALA 104 7.091 1.821 -9.931 800 1HB ALA 104 1HB ALA 104 5.442 3.786 -10.185 801 2HB ALA 104 2HB ALA 104 7.170 4.130 -10.236 802 3HB ALA 104 3HB ALA 104 6.248 4.455 -8.766 803 H GLY 105 H GLY 105 6.412 3.637 -6.944 804 1HA GLY 105 2HA GLY 105 9.102 3.651 -6.068 805 2HA GLY 105 1HA GLY 105 7.702 3.964 -5.058 806 H MET 106 H MET 106 6.361 1.581 -5.218 807 HA MET 106 HA MET 106 7.486 0.071 -3.217 808 1HB MET 106 2HB MET 106 5.162 -0.177 -3.884 809 2HB MET 106 1HB MET 106 5.654 -0.854 -5.433 810 1HG MET 106 2HG MET 106 5.058 -2.694 -4.145 811 2HG MET 106 1HG MET 106 6.812 -2.666 -4.093 812 1HE MET 106 1HE MET 106 6.924 -3.929 -0.885 813 2HE MET 106 2HE MET 106 6.499 -4.321 -2.553 814 3HE MET 106 3HE MET 106 5.251 -4.300 -1.305 815 H ALA 107 H ALA 107 7.449 -0.796 -6.662 816 HA ALA 107 HA ALA 107 9.017 -3.020 -6.673 817 1HB ALA 107 1HB ALA 107 8.312 -2.559 -8.786 818 2HB ALA 107 2HB ALA 107 9.944 -1.905 -8.917 819 3HB ALA 107 3HB ALA 107 8.583 -0.825 -8.617 820 H SER 108 H SER 108 10.042 0.333 -6.396 821 HA SER 108 HA SER 108 12.833 -0.131 -6.563 822 1HB SER 108 2HB SER 108 11.311 2.106 -6.530 823 2HB SER 108 1HB SER 108 11.884 2.107 -4.863 824 HG SER 108 HG SER 108 13.260 3.218 -6.409 825 H ALA 109 H ALA 109 10.513 -0.105 -3.904 826 HA ALA 109 HA ALA 109 12.356 -0.279 -1.771 827 1HB ALA 109 1HB ALA 109 10.391 0.085 -0.768 828 2HB ALA 109 2HB ALA 109 10.123 -1.654 -0.900 829 3HB ALA 109 3HB ALA 109 9.483 -0.563 -2.132 830 H LEU 110 H LEU 110 10.447 -2.831 -3.332 831 HA LEU 110 HA LEU 110 11.621 -4.994 -2.005 832 1HB LEU 110 2HB LEU 110 10.572 -5.144 -4.817 833 2HB LEU 110 1HB LEU 110 10.532 -6.379 -3.573 834 HG LEU 110 HG LEU 110 8.963 -3.811 -3.380 835 1HD1 LEU 110 1HD1 LEU 110 7.339 -4.606 -4.669 836 2HD1 LEU 110 2HD1 LEU 110 7.429 -6.208 -3.934 837 3HD1 LEU 110 3HD1 LEU 110 8.517 -5.781 -5.254 838 1HD2 LEU 110 1HD2 LEU 110 7.673 -5.748 -1.950 839 2HD2 LEU 110 2HD2 LEU 110 8.769 -4.540 -1.279 840 3HD2 LEU 110 3HD2 LEU 110 9.368 -6.150 -1.680 841 H GLU 111 H GLU 111 12.828 -3.018 -4.537 842 HA GLU 111 HA GLU 111 14.808 -4.993 -5.364 843 1HB GLU 111 2HB GLU 111 13.670 -2.541 -6.493 844 2HB GLU 111 1HB GLU 111 15.404 -2.702 -6.736 845 1HG GLU 111 2HG GLU 111 14.965 -4.997 -7.604 846 2HG GLU 111 1HG GLU 111 13.250 -4.608 -7.570 847 H ALA 112 H ALA 112 14.504 -2.250 -3.337 848 HA ALA 112 HA ALA 112 17.407 -1.901 -3.151 849 1HB ALA 112 1HB ALA 112 15.069 -0.212 -2.549 850 2HB ALA 112 2HB ALA 112 16.674 0.234 -3.130 851 3HB ALA 112 3HB ALA 112 16.414 -0.085 -1.413 852 H LEU 113 H LEU 113 15.082 -3.794 -1.860 853 HA LEU 113 HA LEU 113 16.355 -3.875 0.785 854 1HB LEU 113 2HB LEU 113 13.635 -3.805 -0.061 855 2HB LEU 113 1HB LEU 113 13.921 -5.340 0.712 856 HG LEU 113 HG LEU 113 13.068 -3.388 2.151 857 1HD1 LEU 113 1HD1 LEU 113 13.672 -4.782 3.777 858 2HD1 LEU 113 2HD1 LEU 113 15.328 -4.188 3.685 859 3HD1 LEU 113 3HD1 LEU 113 14.828 -5.552 2.692 860 1HD2 LEU 113 1HD2 LEU 113 15.225 -2.080 1.085 861 2HD2 LEU 113 2HD2 LEU 113 15.818 -2.551 2.674 862 3HD2 LEU 113 3HD2 LEU 113 14.346 -1.593 2.533 863 H GLU 114 H GLU 114 15.496 -5.660 -2.075 864 HA GLU 114 HA GLU 114 16.372 -8.190 -0.933 865 1HB GLU 114 2HB GLU 114 15.192 -7.416 -3.597 866 2HB GLU 114 1HB GLU 114 15.831 -9.024 -3.287 867 1HG GLU 114 2HG GLU 114 14.028 -8.263 -1.192 868 2HG GLU 114 1HG GLU 114 13.256 -8.066 -2.764 869 H GLY 115 HN GLY 115 17.422 -5.721 -3.195 870 1HA GLY 115 2HA GLY 115 19.560 -5.263 -3.948 871 2HA GLY 115 1HA GLY 115 20.143 -6.619 -2.995 Start of MODEL 6 1 1H MET 1 1H MET 1 13.374 12.720 15.086 2 2H MET 1 2H MET 1 11.796 12.706 14.412 3 3H MET 1 3H MET 1 12.919 13.920 13.951 4 HA MET 1 HA MET 1 14.232 12.440 12.797 5 1HB MET 1 2HB MET 1 12.556 10.346 14.185 6 2HB MET 1 1HB MET 1 13.629 9.977 12.842 7 1HG MET 1 2HG MET 1 14.933 11.487 14.958 8 2HG MET 1 1HG MET 1 14.291 9.940 15.504 9 1HE MET 1 1HE MET 1 15.844 7.320 14.310 10 2HE MET 1 2HE MET 1 15.406 8.263 15.734 11 3HE MET 1 3HE MET 1 17.103 8.049 15.307 12 H SER 2 H SER 2 13.805 11.979 10.663 13 HA SER 2 HA SER 2 11.014 11.672 9.840 14 1HB SER 2 2HB SER 2 12.178 14.140 9.732 15 2HB SER 2 1HB SER 2 12.558 13.511 8.128 16 HG SER 2 HG SER 2 10.219 12.945 8.082 17 H GLU 3 H GLU 3 10.731 10.726 7.783 18 HA GLU 3 HA GLU 3 13.106 9.277 6.834 19 1HB GLU 3 2HB GLU 3 10.264 8.558 6.162 20 2HB GLU 3 1HB GLU 3 11.692 7.542 6.105 21 1HG GLU 3 2HG GLU 3 10.781 6.741 8.008 22 2HG GLU 3 1HG GLU 3 11.713 8.066 8.701 23 H THR 4 H THR 4 12.269 8.474 4.373 24 HA THR 4 HA THR 4 11.853 10.990 2.898 25 HB THR 4 HB THR 4 13.764 8.752 2.200 26 HG1 THR 4 HG1 THR 4 14.411 10.280 3.861 27 1HG2 THR 4 1HG2 THR 4 14.498 10.716 0.564 28 2HG2 THR 4 2HG2 THR 4 12.766 11.041 0.628 29 3HG2 THR 4 3HG2 THR 4 13.349 9.462 0.100 30 H VAL 5 H VAL 5 9.841 10.793 2.111 31 HA VAL 5 HA VAL 5 8.560 8.379 1.483 32 HB VAL 5 HB VAL 5 7.994 11.219 0.643 33 1HG1 VAL 5 1HG1 VAL 5 5.656 9.970 0.179 34 2HG1 VAL 5 2HG1 VAL 5 6.781 8.714 -0.328 35 3HG1 VAL 5 3HG1 VAL 5 6.846 10.311 -1.076 36 1HG2 VAL 5 1HG2 VAL 5 6.076 9.690 2.256 37 2HG2 VAL 5 2HG2 VAL 5 6.665 11.342 2.451 38 3HG2 VAL 5 3HG2 VAL 5 7.632 9.987 3.034 39 H ILE 6 H ILE 6 8.167 7.324 -0.467 40 HA ILE 6 HA ILE 6 10.177 7.846 -2.529 41 HB ILE 6 HB ILE 6 8.397 5.470 -2.697 42 1HG1 ILE 6 2HG1 ILE 6 10.440 5.949 -0.551 43 2HG1 ILE 6 1HG1 ILE 6 8.853 5.215 -0.422 44 1HG2 ILE 6 1HG2 ILE 6 10.317 6.212 -4.270 45 2HG2 ILE 6 2HG2 ILE 6 10.170 4.515 -3.819 46 3HG2 ILE 6 3HG2 ILE 6 11.364 5.539 -3.020 47 1HD1 ILE 6 1HD1 ILE 6 10.212 3.395 -0.177 48 2HD1 ILE 6 2HD1 ILE 6 11.422 4.010 -1.302 49 3HD1 ILE 6 3HD1 ILE 6 9.903 3.353 -1.912 50 H CYS 7 H CYS 7 6.831 6.598 -2.694 51 HA CYS 7 HA CYS 7 6.340 8.493 -4.891 52 1HB CYS 7 2HB CYS 7 6.502 5.661 -5.068 53 2HB CYS 7 1HB CYS 7 4.820 6.114 -5.319 54 HG CYS 7 HG CYS 7 6.664 6.167 -7.470 55 H SER 8 H SER 8 3.814 8.163 -5.493 56 HA SER 8 HA SER 8 2.132 7.918 -3.152 57 1HB SER 8 2HB SER 8 1.431 10.142 -2.957 58 2HB SER 8 1HB SER 8 3.167 10.302 -3.215 59 HG SER 8 HG SER 8 2.824 10.992 -5.242 60 H SER 9 H SER 9 0.238 7.066 -3.767 61 HA SER 9 HA SER 9 -0.792 7.721 -6.441 62 1HB SER 9 2HB SER 9 0.394 5.516 -6.488 63 2HB SER 9 1HB SER 9 -0.776 4.920 -5.312 64 HG SER 9 HG SER 9 -2.360 5.046 -6.799 65 H ARG 10 H ARG 10 -3.077 7.300 -6.727 66 HA ARG 10 HA ARG 10 -4.564 7.639 -4.216 67 1HB ARG 10 2HB ARG 10 -4.839 9.422 -5.877 68 2HB ARG 10 1HB ARG 10 -5.370 8.245 -7.069 69 1HG ARG 10 2HG ARG 10 -7.003 7.954 -4.767 70 2HG ARG 10 1HG ARG 10 -6.917 9.669 -5.168 71 1HD ARG 10 2HD ARG 10 -7.245 8.260 -7.596 72 2HD ARG 10 1HD ARG 10 -8.404 7.592 -6.447 73 HE ARG 10 HE ARG 10 -8.591 10.340 -6.233 74 1HH1 ARG 10 2HH1 ARG 10 -9.069 7.937 -8.717 75 2HH1 ARG 10 1HH1 ARG 10 -10.282 8.854 -9.545 76 1HH2 ARG 10 1HH2 ARG 10 -10.186 11.547 -7.322 77 2HH2 ARG 10 2HH2 ARG 10 -10.916 10.903 -8.754 78 H ALA 11 H ALA 11 -5.789 6.026 -3.473 79 HA ALA 11 HA ALA 11 -7.255 4.272 -5.186 80 1HB ALA 11 1HB ALA 11 -6.098 2.189 -4.558 81 2HB ALA 11 2HB ALA 11 -4.857 3.144 -3.748 82 3HB ALA 11 3HB ALA 11 -5.072 3.274 -5.492 83 H THR 12 H THR 12 -7.795 2.173 -3.636 84 HA THR 12 HA THR 12 -8.626 3.296 -1.044 85 HB THR 12 HB THR 12 -10.244 1.361 -2.710 86 HG1 THR 12 HG1 THR 12 -11.147 3.004 -3.647 87 1HG2 THR 12 1HG2 THR 12 -10.648 1.405 -0.232 88 2HG2 THR 12 2HG2 THR 12 -12.043 1.773 -1.245 89 3HG2 THR 12 3HG2 THR 12 -11.176 3.076 -0.430 90 H VAL 13 H VAL 13 -6.949 2.321 0.074 91 HA VAL 13 HA VAL 13 -5.843 -0.138 -0.152 92 HB VAL 13 HB VAL 13 -6.533 1.306 2.407 93 1HG1 VAL 13 1HG1 VAL 13 -4.718 -0.088 3.415 94 2HG1 VAL 13 2HG1 VAL 13 -4.754 -1.088 1.963 95 3HG1 VAL 13 3HG1 VAL 13 -6.178 -0.986 3.000 96 1HG2 VAL 13 1HG2 VAL 13 -4.055 1.825 2.289 97 2HG2 VAL 13 2HG2 VAL 13 -5.075 2.621 1.089 98 3HG2 VAL 13 3HG2 VAL 13 -4.106 1.220 0.636 99 H MET 14 H MET 14 -6.133 -2.160 0.934 100 HA MET 14 HA MET 14 -8.743 -2.800 2.005 101 1HB MET 14 2HB MET 14 -8.625 -2.983 -0.667 102 2HB MET 14 1HB MET 14 -7.912 -4.530 -0.274 103 1HG MET 14 2HG MET 14 -9.845 -5.383 0.510 104 2HG MET 14 1HG MET 14 -10.396 -3.839 1.150 105 1HE MET 14 1HE MET 14 -13.221 -4.796 -0.536 106 2HE MET 14 2HE MET 14 -13.100 -3.045 -0.707 107 3HE MET 14 3HE MET 14 -12.469 -3.835 0.737 108 H LEU 15 H LEU 15 -8.625 -4.440 3.448 109 HA LEU 15 HA LEU 15 -6.086 -5.926 3.568 110 1HB LEU 15 2HB LEU 15 -7.628 -4.533 5.590 111 2HB LEU 15 1HB LEU 15 -7.364 -6.206 6.038 112 HG LEU 15 HG LEU 15 -5.304 -4.069 5.545 113 1HD1 LEU 15 1HD1 LEU 15 -5.137 -5.866 7.855 114 2HD1 LEU 15 2HD1 LEU 15 -6.567 -4.833 7.823 115 3HD1 LEU 15 3HD1 LEU 15 -4.957 -4.114 7.758 116 1HD2 LEU 15 1HD2 LEU 15 -5.025 -7.032 5.393 117 2HD2 LEU 15 2HD2 LEU 15 -3.728 -6.087 6.124 118 3HD2 LEU 15 3HD2 LEU 15 -4.217 -5.772 4.459 119 H TYR 16 H TYR 16 -6.337 -7.913 2.770 120 HA TYR 16 HA TYR 16 -8.867 -9.197 2.601 121 1HB TYR 16 2HB TYR 16 -6.793 -9.510 1.085 122 2HB TYR 16 1HB TYR 16 -6.254 -10.648 2.312 123 HD1 TYR 16 HD1 TYR 16 -7.309 -12.787 2.569 124 HD2 TYR 16 HD2 TYR 16 -8.819 -9.966 -0.234 125 HE1 TYR 16 HE1 TYR 16 -8.702 -14.547 1.566 126 HE2 TYR 16 HE2 TYR 16 -10.217 -11.712 -1.253 127 HH TYR 16 HH TYR 16 -9.766 -14.836 -0.950 128 H ASP 17 H ASP 17 -9.734 -10.846 3.740 129 HA ASP 17 HA ASP 17 -8.355 -11.590 6.237 130 1HB ASP 17 2HB ASP 17 -10.842 -10.382 5.945 131 2HB ASP 17 1HB ASP 17 -11.234 -12.078 6.212 132 H ASP 18 H ASP 18 -7.295 -13.289 5.044 133 HA ASP 18 HA ASP 18 -8.468 -15.258 3.526 134 1HB ASP 18 2HB ASP 18 -6.010 -15.024 5.115 135 2HB ASP 18 1HB ASP 18 -6.558 -16.680 4.877 136 H GLY 19 H GLY 19 -8.675 -14.802 6.963 137 1HA GLY 19 2HA GLY 19 -9.296 -17.323 7.900 138 2HA GLY 19 1HA GLY 19 -10.011 -15.843 8.526 139 H ASN 20 H ASN 20 -11.268 -15.146 6.010 140 HA ASN 20 HA ASN 20 -13.217 -17.297 5.627 141 1HB ASN 20 2HB ASN 20 -13.925 -14.434 6.310 142 2HB ASN 20 1HB ASN 20 -15.079 -15.657 5.786 143 1HD2 ASN 20 1HD2 ASN 20 -13.216 -14.418 8.382 144 2HD2 ASN 20 2HD2 ASN 20 -13.804 -15.485 9.608 145 H LYS 21 H LYS 21 -10.992 -15.712 4.149 146 HA LYS 21 HA LYS 21 -10.587 -14.823 2.093 147 1HB LYS 21 2HB LYS 21 -12.857 -16.528 1.116 148 2HB LYS 21 1HB LYS 21 -11.358 -16.129 0.295 149 1HG LYS 21 2HG LYS 21 -10.792 -17.506 2.748 150 2HG LYS 21 1HG LYS 21 -11.943 -18.429 1.780 151 1HD LYS 21 2HD LYS 21 -9.709 -19.100 1.186 152 2HD LYS 21 1HD LYS 21 -10.411 -18.201 -0.162 153 1HE LYS 21 2HE LYS 21 -9.182 -16.225 0.448 154 2HE LYS 21 1HE LYS 21 -8.590 -16.999 1.919 155 1HZ LYS 21 1HZ LYS 21 -6.817 -17.388 0.607 156 2HZ LYS 21 2HZ LYS 21 -7.702 -17.320 -0.833 157 3HZ LYS 21 3HZ LYS 21 -7.728 -18.724 0.109 158 H ARG 22 H ARG 22 -11.202 -12.686 2.373 159 HA ARG 22 HA ARG 22 -13.107 -11.649 0.634 160 1HB ARG 22 2HB ARG 22 -14.769 -10.765 2.304 161 2HB ARG 22 1HB ARG 22 -14.848 -12.499 2.027 162 1HG ARG 22 2HG ARG 22 -14.414 -12.958 4.158 163 2HG ARG 22 1HG ARG 22 -13.062 -11.825 4.210 164 1HD ARG 22 2HD ARG 22 -14.655 -11.056 5.790 165 2HD ARG 22 1HD ARG 22 -14.762 -9.978 4.400 166 HE ARG 22 HE ARG 22 -16.630 -12.161 4.317 167 1HH1 ARG 22 2HH1 ARG 22 -16.065 -8.920 5.481 168 2HH1 ARG 22 1HH1 ARG 22 -17.749 -8.536 5.604 169 1HH2 ARG 22 1HH2 ARG 22 -18.846 -11.659 4.480 170 2HH2 ARG 22 2HH2 ARG 22 -19.329 -10.093 5.038 171 H TRP 23 H TRP 23 -12.640 -9.550 0.287 172 HA TRP 23 HA TRP 23 -10.462 -8.322 1.543 173 1HB TRP 23 2HB TRP 23 -12.618 -7.368 -0.299 174 2HB TRP 23 1HB TRP 23 -11.560 -6.187 0.460 175 HD1 TRP 23 HD1 TRP 23 -11.831 -7.770 -2.668 176 HE1 TRP 23 HE1 TRP 23 -9.580 -8.120 -3.854 177 HE3 TRP 23 HE3 TRP 23 -8.714 -7.052 1.305 178 HZ2 TRP 23 HZ2 TRP 23 -6.841 -8.085 -3.192 179 HZ3 TRP 23 HZ3 TRP 23 -6.290 -7.220 0.943 180 HH2 TRP 23 HH2 TRP 23 -5.375 -7.724 -1.258 181 H LEU 24 H LEU 24 -10.299 -6.657 3.032 182 HA LEU 24 HA LEU 24 -12.725 -5.810 4.421 183 1HB LEU 24 2HB LEU 24 -10.771 -7.648 5.474 184 2HB LEU 24 1HB LEU 24 -10.819 -6.191 6.449 185 HG LEU 24 HG LEU 24 -13.243 -7.857 5.773 186 1HD1 LEU 24 1HD1 LEU 24 -12.087 -9.282 7.160 187 2HD1 LEU 24 2HD1 LEU 24 -13.009 -8.333 8.326 188 3HD1 LEU 24 3HD1 LEU 24 -11.307 -7.969 8.041 189 1HD2 LEU 24 1HD2 LEU 24 -13.309 -5.302 6.417 190 2HD2 LEU 24 2HD2 LEU 24 -13.085 -5.943 8.044 191 3HD2 LEU 24 3HD2 LEU 24 -14.475 -6.446 7.082 192 HA PRO 25 HA PRO 25 -10.702 -1.887 3.513 193 1HB PRO 25 2HB PRO 25 -12.501 -1.225 5.818 194 2HB PRO 25 1HB PRO 25 -12.209 -0.319 4.328 195 1HG PRO 25 2HG PRO 25 -14.401 -1.812 4.607 196 2HG PRO 25 1HG PRO 25 -13.550 -1.716 3.056 197 1HD PRO 25 2HD PRO 25 -13.684 -3.947 4.997 198 2HD PRO 25 1HD PRO 25 -13.393 -3.989 3.248 199 H ALA 26 H ALA 26 -8.611 -2.242 4.218 200 HA ALA 26 HA ALA 26 -7.663 -2.833 6.711 201 1HB ALA 26 1HB ALA 26 -6.222 -0.795 5.069 202 2HB ALA 26 2HB ALA 26 -6.421 -2.441 4.467 203 3HB ALA 26 3HB ALA 26 -5.575 -2.153 5.990 204 H GLY 27 H GLY 27 -8.790 0.272 5.537 205 1HA GLY 27 2HA GLY 27 -7.800 1.942 7.547 206 2HA GLY 27 1HA GLY 27 -9.263 2.238 6.621 207 H THR 28 H THR 28 -11.157 2.200 7.673 208 HA THR 28 HA THR 28 -11.419 0.644 10.119 209 HB THR 28 HB THR 28 -10.612 2.810 10.907 210 HG1 THR 28 HG1 THR 28 -11.947 2.201 12.422 211 1HG2 THR 28 1HG2 THR 28 -11.699 4.049 8.892 212 2HG2 THR 28 2HG2 THR 28 -11.541 4.851 10.455 213 3HG2 THR 28 3HG2 THR 28 -13.090 4.162 9.969 214 H GLY 29 H GLY 29 -13.018 2.929 7.930 215 1HA GLY 29 2HA GLY 29 -15.287 1.111 7.745 216 2HA GLY 29 1HA GLY 29 -15.625 2.697 8.418 217 HA PRO 30 HA PRO 30 -16.498 4.489 4.497 218 1HB PRO 30 2HB PRO 30 -14.357 6.465 5.176 219 2HB PRO 30 1HB PRO 30 -15.998 6.746 4.581 220 1HG PRO 30 2HG PRO 30 -15.412 7.109 7.150 221 2HG PRO 30 1HG PRO 30 -16.957 6.391 6.663 222 1HD PRO 30 2HD PRO 30 -14.564 5.099 7.864 223 2HD PRO 30 1HD PRO 30 -16.280 4.671 8.020 224 H GLN 31 H GLN 31 -15.481 5.071 2.412 225 HA GLN 31 HA GLN 31 -12.745 4.098 2.072 226 1HB GLN 31 2HB GLN 31 -15.194 2.831 0.983 227 2HB GLN 31 1HB GLN 31 -13.829 2.972 -0.115 228 1HG GLN 31 2HG GLN 31 -12.425 1.725 1.366 229 2HG GLN 31 1HG GLN 31 -13.673 1.718 2.612 230 1HE2 GLN 31 1HE2 GLN 31 -12.372 0.110 -0.050 231 2HE2 GLN 31 2HE2 GLN 31 -13.591 -1.100 -0.233 232 H ALA 32 H ALA 32 -13.028 6.646 1.989 233 HA ALA 32 HA ALA 32 -13.731 7.569 -0.685 234 1HB ALA 32 1HB ALA 32 -12.618 9.244 1.552 235 2HB ALA 32 2HB ALA 32 -14.328 8.828 1.436 236 3HB ALA 32 3HB ALA 32 -13.560 9.769 0.156 237 H PHE 33 H PHE 33 -11.720 5.855 -0.973 238 HA PHE 33 HA PHE 33 -9.612 5.555 -1.766 239 1HB PHE 33 2HB PHE 33 -10.122 8.427 -2.491 240 2HB PHE 33 1HB PHE 33 -8.583 7.662 -2.858 241 HD1 PHE 33 HD1 PHE 33 -8.442 5.863 -4.475 242 HD2 PHE 33 HD2 PHE 33 -12.123 7.841 -3.688 243 HE1 PHE 33 HE1 PHE 33 -9.381 4.919 -6.538 244 HE2 PHE 33 HE2 PHE 33 -13.074 6.899 -5.754 245 HZ PHE 33 HZ PHE 33 -11.703 5.435 -7.184 246 H SER 34 H SER 34 -7.280 6.608 -1.678 247 HA SER 34 HA SER 34 -6.690 8.168 0.637 248 1HB SER 34 2HB SER 34 -5.409 5.541 0.983 249 2HB SER 34 1HB SER 34 -6.133 6.611 2.183 250 HG SER 34 HG SER 34 -7.341 4.717 2.019 251 H ARG 35 H ARG 35 -4.592 8.905 0.631 252 HA ARG 35 HA ARG 35 -3.070 8.314 -1.794 253 1HB ARG 35 2HB ARG 35 -3.592 10.685 -1.068 254 2HB ARG 35 1HB ARG 35 -2.491 10.433 0.279 255 1HG ARG 35 2HG ARG 35 -1.215 9.680 -2.176 256 2HG ARG 35 1HG ARG 35 -1.872 11.313 -2.305 257 1HD ARG 35 2HD ARG 35 -0.407 10.616 0.178 258 2HD ARG 35 1HD ARG 35 0.541 10.814 -1.296 259 HE ARG 35 HE ARG 35 -0.775 12.876 0.211 260 1HH1 ARG 35 2HH1 ARG 35 0.458 11.972 -2.926 261 2HH1 ARG 35 1HH1 ARG 35 0.664 13.607 -3.455 262 1HH2 ARG 35 1HH2 ARG 35 -0.506 15.027 -0.483 263 2HH2 ARG 35 2HH2 ARG 35 0.117 15.343 -2.068 264 H VAL 36 H VAL 36 -2.028 6.401 -1.396 265 HA VAL 36 HA VAL 36 -0.531 6.107 1.081 266 HB VAL 36 HB VAL 36 -0.800 4.093 -1.142 267 1HG1 VAL 36 1HG1 VAL 36 -0.102 3.708 1.765 268 2HG1 VAL 36 2HG1 VAL 36 1.085 3.810 0.465 269 3HG1 VAL 36 3HG1 VAL 36 -0.082 2.489 0.491 270 1HG2 VAL 36 1HG2 VAL 36 -2.786 5.036 0.654 271 2HG2 VAL 36 2HG2 VAL 36 -2.339 3.402 1.142 272 3HG2 VAL 36 3HG2 VAL 36 -2.892 3.712 -0.504 273 H GLN 37 H GLN 37 1.428 6.819 1.210 274 HA GLN 37 HA GLN 37 3.149 6.819 -1.173 275 1HB GLN 37 2HB GLN 37 3.156 8.493 1.329 276 2HB GLN 37 1HB GLN 37 4.527 8.448 0.229 277 1HG GLN 37 2HG GLN 37 2.905 9.126 -1.586 278 2HG GLN 37 1HG GLN 37 1.750 9.453 -0.298 279 1HE2 GLN 37 1HE2 GLN 37 4.586 10.507 -1.936 280 2HE2 GLN 37 2HE2 GLN 37 4.759 12.021 -1.124 281 H ILE 38 H ILE 38 5.414 6.196 -0.843 282 HA ILE 38 HA ILE 38 5.598 4.116 1.223 283 HB ILE 38 HB ILE 38 7.272 4.475 -1.268 284 1HG1 ILE 38 2HG1 ILE 38 5.032 2.545 -0.625 285 2HG1 ILE 38 1HG1 ILE 38 4.971 3.859 -1.797 286 1HG2 ILE 38 1HG2 ILE 38 8.429 3.364 0.636 287 2HG2 ILE 38 2HG2 ILE 38 8.220 2.322 -0.771 288 3HG2 ILE 38 3HG2 ILE 38 7.166 2.132 0.631 289 1HD1 ILE 38 1HD1 ILE 38 5.573 2.373 -3.320 290 2HD1 ILE 38 2HD1 ILE 38 5.955 1.167 -2.090 291 3HD1 ILE 38 3HD1 ILE 38 7.166 2.359 -2.564 292 H TYR 39 H TYR 39 7.418 3.945 2.552 293 HA TYR 39 HA TYR 39 8.942 6.448 2.788 294 1HB TYR 39 2HB TYR 39 7.873 4.513 4.791 295 2HB TYR 39 1HB TYR 39 9.348 5.397 5.180 296 HD1 TYR 39 HD1 TYR 39 6.119 6.276 3.514 297 HD2 TYR 39 HD2 TYR 39 8.944 7.196 6.555 298 HE1 TYR 39 HE1 TYR 39 4.784 8.234 4.143 299 HE2 TYR 39 HE2 TYR 39 7.618 9.160 7.202 300 HH TYR 39 HH TYR 39 5.561 10.644 5.473 301 H HIS 40 H HIS 40 10.961 6.366 2.147 302 HA HIS 40 HA HIS 40 12.331 3.792 1.995 303 1HB HIS 40 2HB HIS 40 12.331 5.214 -0.009 304 2HB HIS 40 1HB HIS 40 13.119 6.500 0.894 305 HD1 HIS 40 HD1 HIS 40 14.029 4.390 -1.601 306 HD2 HIS 40 HD2 HIS 40 15.620 4.954 2.195 307 HE1 HIS 40 HE1 HIS 40 16.394 3.549 -1.732 308 HE2 HIS 40 HE2 HIS 40 17.365 3.987 0.551 309 H ASN 41 H ASN 41 12.817 3.462 4.175 310 HA ASN 41 HA ASN 41 14.525 5.424 5.513 311 1HB ASN 41 2HB ASN 41 13.388 2.834 6.588 312 2HB ASN 41 1HB ASN 41 14.189 4.093 7.521 313 1HD2 ASN 41 1HD2 ASN 41 12.060 3.757 8.677 314 2HD2 ASN 41 2HD2 ASN 41 10.754 4.781 8.198 315 HA PRO 42 HA PRO 42 17.825 2.629 4.124 316 1HB PRO 42 2HB PRO 42 19.766 4.427 3.935 317 2HB PRO 42 1HB PRO 42 18.469 4.372 2.736 318 1HG PRO 42 2HG PRO 42 18.814 6.222 5.066 319 2HG PRO 42 1HG PRO 42 18.291 6.592 3.413 320 1HD PRO 42 2HD PRO 42 16.580 6.241 5.547 321 2HD PRO 42 1HD PRO 42 16.126 6.015 3.848 322 H THR 43 H THR 43 17.671 4.763 6.876 323 HA THR 43 HA THR 43 20.036 4.305 8.194 324 HB THR 43 HB THR 43 17.283 4.385 9.450 325 HG1 THR 43 HG1 THR 43 17.318 6.451 9.104 326 1HG2 THR 43 1HG2 THR 43 18.218 4.443 11.450 327 2HG2 THR 43 2HG2 THR 43 19.357 5.691 10.942 328 3HG2 THR 43 3HG2 THR 43 19.744 3.988 10.693 329 H ALA 44 H ALA 44 17.378 2.123 7.688 330 HA ALA 44 HA ALA 44 18.918 -0.006 9.003 331 1HB ALA 44 1HB ALA 44 17.172 0.464 10.538 332 2HB ALA 44 2HB ALA 44 16.710 -1.008 9.686 333 3HB ALA 44 3HB ALA 44 15.967 0.532 9.252 334 H ASN 45 H ASN 45 17.962 1.076 6.139 335 HA ASN 45 HA ASN 45 17.597 0.172 4.089 336 1HB ASN 45 2HB ASN 45 19.379 -1.547 5.403 337 2HB ASN 45 1HB ASN 45 18.173 -2.609 4.683 338 1HD2 ASN 45 1HD2 ASN 45 17.528 -1.286 2.390 339 2HD2 ASN 45 2HD2 ASN 45 18.906 -1.200 1.353 340 H SER 46 H SER 46 15.368 0.528 5.492 341 HA SER 46 HA SER 46 13.753 -1.838 4.798 342 1HB SER 46 2HB SER 46 13.284 -0.088 7.221 343 2HB SER 46 1HB SER 46 12.377 -1.531 6.770 344 HG SER 46 HG SER 46 14.990 -1.311 7.781 345 H PHE 47 H PHE 47 11.394 -1.303 4.600 346 HA PHE 47 HA PHE 47 10.970 1.434 3.627 347 1HB PHE 47 2HB PHE 47 10.388 -1.151 2.202 348 2HB PHE 47 1HB PHE 47 9.527 0.329 1.804 349 HD1 PHE 47 HD1 PHE 47 10.964 2.382 1.226 350 HD2 PHE 47 HD2 PHE 47 12.421 -1.610 1.200 351 HE1 PHE 47 HE1 PHE 47 12.814 3.074 -0.239 352 HE2 PHE 47 HE2 PHE 47 14.278 -0.929 -0.264 353 HZ PHE 47 HZ PHE 47 14.478 1.417 -0.985 354 H ARG 48 H ARG 48 8.566 1.884 3.301 355 HA ARG 48 HA ARG 48 6.772 0.309 4.941 356 1HB ARG 48 2HB ARG 48 8.203 2.129 6.304 357 2HB ARG 48 1HB ARG 48 6.890 3.159 5.754 358 1HG ARG 48 2HG ARG 48 5.485 1.065 6.687 359 2HG ARG 48 1HG ARG 48 6.899 0.996 7.741 360 1HD ARG 48 2HD ARG 48 6.348 3.653 7.771 361 2HD ARG 48 1HD ARG 48 4.729 2.973 7.606 362 HE ARG 48 HE ARG 48 6.262 1.699 9.660 363 1HH1 ARG 48 2HH1 ARG 48 4.255 4.458 8.928 364 2HH1 ARG 48 1HH1 ARG 48 3.772 4.702 10.573 365 1HH2 ARG 48 1HH2 ARG 48 5.627 2.016 11.823 366 2HH2 ARG 48 2HH2 ARG 48 4.551 3.315 12.217 367 H VAL 49 H VAL 49 4.603 0.777 4.646 368 HA VAL 49 HA VAL 49 4.014 2.591 2.402 369 HB VAL 49 HB VAL 49 1.864 1.208 2.246 370 1HG1 VAL 49 1HG1 VAL 49 4.483 -0.152 1.628 371 2HG1 VAL 49 2HG1 VAL 49 3.694 1.065 0.626 372 3HG1 VAL 49 3HG1 VAL 49 2.926 -0.502 0.879 373 1HG2 VAL 49 1HG2 VAL 49 1.734 -0.895 3.252 374 2HG2 VAL 49 2HG2 VAL 49 2.342 0.150 4.536 375 3HG2 VAL 49 3HG2 VAL 49 3.449 -0.907 3.662 376 H VAL 50 H VAL 50 2.890 4.372 2.887 377 HA VAL 50 HA VAL 50 1.140 4.324 5.252 378 HB VAL 50 HB VAL 50 2.503 6.887 4.654 379 1HG1 VAL 50 1HG1 VAL 50 1.003 6.935 6.451 380 2HG1 VAL 50 2HG1 VAL 50 2.596 6.846 7.203 381 3HG1 VAL 50 3HG1 VAL 50 1.589 5.401 7.095 382 1HG2 VAL 50 1HG2 VAL 50 3.941 4.537 5.880 383 2HG2 VAL 50 2HG2 VAL 50 4.465 6.212 6.057 384 3HG2 VAL 50 3HG2 VAL 50 4.415 5.468 4.459 385 H GLY 51 H GLY 51 -0.871 4.802 4.704 386 1HA GLY 51 2HA GLY 51 -1.307 6.836 2.624 387 2HA GLY 51 1HA GLY 51 -2.136 5.291 2.516 388 H ARG 52 H ARG 52 -3.095 8.101 2.837 389 HA ARG 52 HA ARG 52 -4.816 7.588 5.159 390 1HB ARG 52 2HB ARG 52 -4.797 9.987 5.698 391 2HB ARG 52 1HB ARG 52 -3.190 9.282 5.815 392 1HG ARG 52 2HG ARG 52 -2.386 10.742 4.359 393 2HG ARG 52 1HG ARG 52 -3.608 10.294 3.168 394 1HD ARG 52 2HD ARG 52 -5.187 11.843 4.176 395 2HD ARG 52 1HD ARG 52 -4.011 12.256 5.423 396 HE ARG 52 HE ARG 52 -2.960 13.637 3.929 397 1HH1 ARG 52 2HH1 ARG 52 -5.141 11.540 2.190 398 2HH1 ARG 52 1HH1 ARG 52 -4.947 12.375 0.687 399 1HH2 ARG 52 1HH2 ARG 52 -2.703 14.739 1.952 400 2HH2 ARG 52 2HH2 ARG 52 -3.561 14.192 0.551 401 H LYS 53 H LYS 53 -6.952 8.387 5.009 402 HA LYS 53 HA LYS 53 -8.081 8.254 2.439 403 1HB LYS 53 2HB LYS 53 -9.020 8.318 5.090 404 2HB LYS 53 1HB LYS 53 -9.802 9.662 4.272 405 1HG LYS 53 2HG LYS 53 -11.183 7.693 4.131 406 2HG LYS 53 1HG LYS 53 -10.588 8.126 2.527 407 1HD LYS 53 2HD LYS 53 -8.783 6.434 2.812 408 2HD LYS 53 1HD LYS 53 -9.544 5.943 4.326 409 1HE LYS 53 2HE LYS 53 -11.470 5.156 3.221 410 2HE LYS 53 1HE LYS 53 -11.041 5.978 1.721 411 1HZ LYS 53 1HZ LYS 53 -9.106 4.040 2.669 412 2HZ LYS 53 2HZ LYS 53 -9.682 4.321 1.104 413 3HZ LYS 53 3HZ LYS 53 -10.592 3.390 2.184 414 H MET 54 H MET 54 -9.286 9.893 1.291 415 HA MET 54 HA MET 54 -7.927 12.482 1.414 416 1HB MET 54 2HB MET 54 -9.761 11.504 -0.771 417 2HB MET 54 1HB MET 54 -8.593 12.816 -0.851 418 1HG MET 54 2HG MET 54 -7.370 10.281 -0.147 419 2HG MET 54 1HG MET 54 -8.210 10.223 -1.694 420 1HE MET 54 1HE MET 54 -4.724 10.218 -2.634 421 2HE MET 54 2HE MET 54 -5.850 10.766 -3.877 422 3HE MET 54 3HE MET 54 -6.349 9.537 -2.714 423 H GLN 55 H GLN 55 -9.709 12.139 3.439 424 HA GLN 55 HA GLN 55 -11.955 13.872 2.636 425 1HB GLN 55 2HB GLN 55 -13.338 12.832 4.320 426 2HB GLN 55 1HB GLN 55 -12.677 11.582 3.275 427 1HG GLN 55 2HG GLN 55 -11.074 10.955 4.933 428 2HG GLN 55 1HG GLN 55 -11.525 12.319 5.952 429 1HE2 GLN 55 1HE2 GLN 55 -12.046 9.080 5.266 430 2HE2 GLN 55 2HE2 GLN 55 -13.460 8.836 6.227 431 HA PRO 56 HA PRO 56 -10.863 17.040 5.478 432 1HB PRO 56 2HB PRO 56 -13.432 16.530 6.912 433 2HB PRO 56 1HB PRO 56 -12.767 18.049 6.300 434 1HG PRO 56 2HG PRO 56 -14.731 16.813 4.999 435 2HG PRO 56 1HG PRO 56 -13.413 17.603 4.115 436 1HD PRO 56 2HD PRO 56 -13.901 14.702 4.600 437 2HD PRO 56 1HD PRO 56 -13.192 15.509 3.186 438 H ASP 57 H ASP 57 -12.069 14.024 6.809 439 HA ASP 57 HA ASP 57 -11.246 14.430 9.481 440 1HB ASP 57 2HB ASP 57 -12.206 12.182 7.850 441 2HB ASP 57 1HB ASP 57 -11.122 11.710 9.155 442 H GLN 58 H GLN 58 -9.660 12.899 6.707 443 HA GLN 58 HA GLN 58 -7.486 12.400 6.274 444 1HB GLN 58 2HB GLN 58 -6.987 14.387 8.497 445 2HB GLN 58 1HB GLN 58 -5.743 13.741 7.434 446 1HG GLN 58 2HG GLN 58 -7.778 14.740 5.771 447 2HG GLN 58 1HG GLN 58 -7.506 15.950 7.024 448 1HE2 GLN 58 1HE2 GLN 58 -6.637 15.099 4.025 449 2HE2 GLN 58 2HE2 GLN 58 -5.043 15.764 3.958 450 H GLN 59 H GLN 59 -7.661 10.243 6.904 451 HA GLN 59 HA GLN 59 -6.343 9.626 9.461 452 1HB GLN 59 2HB GLN 59 -7.839 7.781 9.859 453 2HB GLN 59 1HB GLN 59 -8.797 9.233 9.612 454 1HG GLN 59 2HG GLN 59 -9.693 8.491 7.671 455 2HG GLN 59 1HG GLN 59 -8.268 7.550 7.239 456 1HE2 GLN 59 1HE2 GLN 59 -9.195 5.626 6.833 457 2HE2 GLN 59 2HE2 GLN 59 -10.059 4.692 8.001 458 H VAL 60 H VAL 60 -5.071 7.724 9.477 459 HA VAL 60 HA VAL 60 -4.026 7.039 6.862 460 HB VAL 60 HB VAL 60 -2.214 5.966 7.975 461 1HG1 VAL 60 1HG1 VAL 60 -2.575 8.184 9.893 462 2HG1 VAL 60 2HG1 VAL 60 -2.678 8.590 8.181 463 3HG1 VAL 60 3HG1 VAL 60 -1.226 7.817 8.818 464 1HG2 VAL 60 1HG2 VAL 60 -2.791 4.688 9.733 465 2HG2 VAL 60 2HG2 VAL 60 -4.119 5.753 10.201 466 3HG2 VAL 60 3HG2 VAL 60 -2.466 6.146 10.673 467 H VAL 61 H VAL 61 -4.605 5.319 5.727 468 HA VAL 61 HA VAL 61 -6.291 3.300 6.989 469 HB VAL 61 HB VAL 61 -6.994 2.649 4.825 470 1HG1 VAL 61 1HG1 VAL 61 -8.204 4.480 4.389 471 2HG1 VAL 61 2HG1 VAL 61 -6.774 5.463 4.070 472 3HG1 VAL 61 3HG1 VAL 61 -7.321 5.213 5.729 473 1HG2 VAL 61 1HG2 VAL 61 -4.777 4.327 3.654 474 2HG2 VAL 61 2HG2 VAL 61 -5.959 3.373 2.757 475 3HG2 VAL 61 3HG2 VAL 61 -4.768 2.568 3.776 476 H ILE 62 H ILE 62 -3.093 3.703 5.735 477 HA ILE 62 HA ILE 62 -2.509 0.911 6.400 478 HB ILE 62 HB ILE 62 -2.736 1.039 3.936 479 1HG1 ILE 62 2HG1 ILE 62 0.179 0.694 4.600 480 2HG1 ILE 62 1HG1 ILE 62 -1.031 -0.427 5.212 481 1HG2 ILE 62 1HG2 ILE 62 -1.974 3.437 3.803 482 2HG2 ILE 62 2HG2 ILE 62 -1.301 2.353 2.584 483 3HG2 ILE 62 3HG2 ILE 62 -0.323 2.836 3.971 484 1HD1 ILE 62 1HD1 ILE 62 -1.677 -0.406 2.602 485 2HD1 ILE 62 2HD1 ILE 62 -0.541 -1.543 3.329 486 3HD1 ILE 62 3HD1 ILE 62 0.057 -0.102 2.504 487 H ASN 63 H ASN 63 -0.498 0.573 7.292 488 HA ASN 63 HA ASN 63 1.564 2.535 7.248 489 1HB ASN 63 2HB ASN 63 1.493 3.146 9.630 490 2HB ASN 63 1HB ASN 63 0.038 3.663 8.791 491 1HD2 ASN 63 1HD2 ASN 63 -0.809 3.771 10.986 492 2HD2 ASN 63 2HD2 ASN 63 -1.465 2.338 11.695 493 H CYS 64 H CYS 64 1.984 0.131 6.477 494 HA CYS 64 HA CYS 64 3.193 -1.302 8.753 495 1HB CYS 64 2HB CYS 64 1.225 -2.310 7.206 496 2HB CYS 64 1HB CYS 64 2.626 -2.804 6.261 497 HG CYS 64 HG CYS 64 3.284 -4.429 8.030 498 H ALA 65 H ALA 65 5.294 -1.963 8.573 499 HA ALA 65 HA ALA 65 6.860 -0.692 6.506 500 1HB ALA 65 1HB ALA 65 7.396 -0.949 9.052 501 2HB ALA 65 2HB ALA 65 8.689 -0.997 7.853 502 3HB ALA 65 3HB ALA 65 8.067 -2.498 8.542 503 H ILE 66 H ILE 66 7.844 -1.628 4.816 504 HA ILE 66 HA ILE 66 7.528 -4.542 4.508 505 HB ILE 66 HB ILE 66 7.969 -3.849 1.984 506 1HG1 ILE 66 2HG1 ILE 66 6.336 -1.481 2.816 507 2HG1 ILE 66 1HG1 ILE 66 8.094 -1.381 2.866 508 1HG2 ILE 66 1HG2 ILE 66 5.215 -3.347 3.045 509 2HG2 ILE 66 2HG2 ILE 66 5.947 -4.948 3.159 510 3HG2 ILE 66 3HG2 ILE 66 5.714 -4.195 1.581 511 1HD1 ILE 66 1HD1 ILE 66 6.308 -1.221 0.618 512 2HD1 ILE 66 2HD1 ILE 66 7.520 -2.483 0.384 513 3HD1 ILE 66 3HD1 ILE 66 8.024 -0.826 0.727 514 H VAL 67 H VAL 67 9.316 -5.736 4.373 515 HA VAL 67 HA VAL 67 11.788 -4.500 3.425 516 HB VAL 67 HB VAL 67 13.095 -5.498 5.247 517 1HG1 VAL 67 1HG1 VAL 67 10.946 -3.652 6.280 518 2HG1 VAL 67 2HG1 VAL 67 12.338 -3.140 5.325 519 3HG1 VAL 67 3HG1 VAL 67 12.575 -3.847 6.924 520 1HG2 VAL 67 1HG2 VAL 67 11.610 -6.011 7.357 521 2HG2 VAL 67 2HG2 VAL 67 11.936 -7.258 6.154 522 3HG2 VAL 67 3HG2 VAL 67 10.397 -6.397 6.136 523 H ARG 68 H ARG 68 12.344 -5.689 1.777 524 HA ARG 68 HA ARG 68 12.326 -7.524 0.332 525 1HB ARG 68 2HB ARG 68 14.220 -8.893 0.868 526 2HB ARG 68 1HB ARG 68 14.551 -7.258 1.422 527 1HG ARG 68 2HG ARG 68 13.386 -8.473 3.614 528 2HG ARG 68 1HG ARG 68 14.404 -9.733 2.917 529 1HD ARG 68 2HD ARG 68 15.701 -7.122 3.016 530 2HD ARG 68 1HD ARG 68 15.237 -7.727 4.605 531 HE ARG 68 HE ARG 68 16.460 -9.853 3.450 532 1HH1 ARG 68 2HH1 ARG 68 17.389 -6.527 3.956 533 2HH1 ARG 68 1HH1 ARG 68 19.078 -6.886 4.075 534 1HH2 ARG 68 1HH2 ARG 68 18.683 -10.327 3.608 535 2HH2 ARG 68 2HH2 ARG 68 19.813 -9.044 3.876 536 H GLY 69 H GLY 69 9.948 -7.815 1.605 537 1HA GLY 69 2HA GLY 69 9.838 -10.726 1.975 538 2HA GLY 69 1HA GLY 69 9.115 -9.692 3.196 539 H VAL 70 H VAL 70 8.080 -7.717 1.371 540 HA VAL 70 HA VAL 70 5.764 -9.225 0.465 541 HB VAL 70 HB VAL 70 6.288 -6.348 1.070 542 1HG1 VAL 70 1HG1 VAL 70 5.348 -5.981 -1.028 543 2HG1 VAL 70 2HG1 VAL 70 3.968 -5.909 0.070 544 3HG1 VAL 70 3HG1 VAL 70 4.263 -7.361 -0.883 545 1HG2 VAL 70 1HG2 VAL 70 4.507 -6.561 2.521 546 2HG2 VAL 70 2HG2 VAL 70 5.223 -8.170 2.577 547 3HG2 VAL 70 3HG2 VAL 70 3.782 -7.878 1.598 548 H LYS 71 H LYS 71 5.056 -9.323 -1.610 549 HA LYS 71 HA LYS 71 6.724 -8.089 -3.690 550 1HB LYS 71 2HB LYS 71 7.362 -10.466 -3.411 551 2HB LYS 71 1HB LYS 71 5.701 -10.933 -3.746 552 1HG LYS 71 2HG LYS 71 7.034 -9.230 -5.758 553 2HG LYS 71 1HG LYS 71 7.605 -10.893 -5.608 554 1HD LYS 71 2HD LYS 71 4.692 -10.652 -5.628 555 2HD LYS 71 1HD LYS 71 5.459 -10.069 -7.107 556 1HE LYS 71 2HE LYS 71 6.814 -12.379 -6.701 557 2HE LYS 71 1HE LYS 71 5.237 -12.798 -6.031 558 1HZ LYS 71 1HZ LYS 71 5.449 -13.312 -8.415 559 2HZ LYS 71 2HZ LYS 71 5.664 -11.667 -8.743 560 3HZ LYS 71 3HZ LYS 71 4.199 -12.215 -8.098 561 H TYR 72 H TYR 72 5.390 -6.658 -4.600 562 HA TYR 72 HA TYR 72 2.618 -6.691 -4.628 563 1HB TYR 72 2HB TYR 72 4.728 -5.305 -6.203 564 2HB TYR 72 1HB TYR 72 3.101 -5.282 -6.866 565 HD1 TYR 72 HD1 TYR 72 3.575 -5.358 -3.249 566 HD2 TYR 72 HD2 TYR 72 2.997 -2.844 -6.634 567 HE1 TYR 72 HE1 TYR 72 3.016 -3.491 -1.757 568 HE2 TYR 72 HE2 TYR 72 2.434 -0.963 -5.152 569 HH TYR 72 HH TYR 72 2.972 -1.078 -1.768 570 H ASN 73 H ASN 73 1.243 -8.067 -5.537 571 HA ASN 73 HA ASN 73 2.127 -9.729 -7.765 572 1HB ASN 73 2HB ASN 73 0.804 -10.438 -5.559 573 2HB ASN 73 1HB ASN 73 -0.581 -10.048 -6.574 574 1HD2 ASN 73 1HD2 ASN 73 -1.304 -11.561 -7.893 575 2HD2 ASN 73 2HD2 ASN 73 -0.459 -13.000 -8.340 576 H GLN 74 H GLN 74 -0.222 -7.237 -7.015 577 HA GLN 74 HA GLN 74 -1.540 -5.941 -8.345 578 1HB GLN 74 2HB GLN 74 0.623 -5.919 -9.722 579 2HB GLN 74 1HB GLN 74 -0.153 -7.119 -10.745 580 1HG GLN 74 2HG GLN 74 -1.952 -4.948 -10.369 581 2HG GLN 74 1HG GLN 74 -0.381 -4.308 -10.845 582 1HE2 GLN 74 1HE2 GLN 74 -2.917 -6.574 -11.732 583 2HE2 GLN 74 2HE2 GLN 74 -2.578 -6.579 -13.426 584 H ALA 75 H ALA 75 -3.284 -7.323 -7.650 585 HA ALA 75 HA ALA 75 -4.160 -9.633 -8.902 586 1HB ALA 75 1HB ALA 75 -5.310 -9.243 -6.971 587 2HB ALA 75 2HB ALA 75 -6.500 -8.662 -8.136 588 3HB ALA 75 3HB ALA 75 -5.468 -7.515 -7.282 589 H THR 76 H THR 76 -4.625 -6.276 -9.815 590 HA THR 76 HA THR 76 -5.426 -7.093 -12.473 591 HB THR 76 HB THR 76 -7.434 -5.498 -12.359 592 HG1 THR 76 HG1 THR 76 -7.260 -6.067 -9.595 593 1HG2 THR 76 1HG2 THR 76 -7.748 -7.909 -12.507 594 2HG2 THR 76 2HG2 THR 76 -8.954 -7.159 -11.460 595 3HG2 THR 76 3HG2 THR 76 -7.596 -8.035 -10.756 596 HA PRO 77 HA PRO 77 -3.333 -3.545 -14.004 597 1HB PRO 77 2HB PRO 77 -5.480 -2.178 -15.245 598 2HB PRO 77 1HB PRO 77 -4.355 -3.305 -16.006 599 1HG PRO 77 2HG PRO 77 -7.100 -3.778 -14.969 600 2HG PRO 77 1HG PRO 77 -6.262 -4.543 -16.330 601 1HD PRO 77 2HD PRO 77 -6.625 -5.842 -14.024 602 2HD PRO 77 1HD PRO 77 -5.121 -6.028 -14.952 603 H ASN 78 H ASN 78 -6.305 -3.071 -12.216 604 HA ASN 78 HA ASN 78 -5.254 -0.489 -11.268 605 1HB ASN 78 2HB ASN 78 -7.507 0.340 -11.035 606 2HB ASN 78 1HB ASN 78 -7.300 -0.261 -12.678 607 1HD2 ASN 78 1HD2 ASN 78 -9.232 -0.301 -9.976 608 2HD2 ASN 78 2HD2 ASN 78 -10.208 -1.673 -10.359 609 H PHE 79 H PHE 79 -4.677 -3.054 -10.114 610 HA PHE 79 HA PHE 79 -5.537 -2.490 -7.413 611 1HB PHE 79 2HB PHE 79 -7.223 -4.101 -8.641 612 2HB PHE 79 1HB PHE 79 -5.993 -5.310 -8.293 613 HD1 PHE 79 HD1 PHE 79 -5.412 -5.837 -5.945 614 HD2 PHE 79 HD2 PHE 79 -8.622 -3.226 -6.941 615 HE1 PHE 79 HE1 PHE 79 -6.326 -6.098 -3.672 616 HE2 PHE 79 HE2 PHE 79 -9.537 -3.482 -4.673 617 HZ PHE 79 HZ PHE 79 -8.389 -4.917 -3.036 618 H HIS 80 H HIS 80 -3.756 -2.603 -6.232 619 HA HIS 80 HA HIS 80 -1.678 -4.543 -6.987 620 1HB HIS 80 2HB HIS 80 -1.550 -1.746 -6.095 621 2HB HIS 80 1HB HIS 80 -0.387 -2.819 -5.325 622 HD1 HIS 80 HD1 HIS 80 -0.925 -0.894 -8.358 623 HD2 HIS 80 HD2 HIS 80 1.262 -4.260 -7.287 624 HE1 HIS 80 HE1 HIS 80 0.754 -1.217 -10.199 625 HE2 HIS 80 HE2 HIS 80 2.025 -3.295 -9.563 626 H GLN 81 H GLN 81 -2.003 -6.301 -5.797 627 HA GLN 81 HA GLN 81 -2.479 -5.969 -2.911 628 1HB GLN 81 2HB GLN 81 -4.325 -7.111 -3.825 629 2HB GLN 81 1HB GLN 81 -3.314 -8.090 -4.874 630 1HG GLN 81 2HG GLN 81 -2.404 -9.149 -2.750 631 2HG GLN 81 1HG GLN 81 -3.740 -8.358 -1.920 632 1HE2 GLN 81 1HE2 GLN 81 -3.006 -11.226 -2.571 633 2HE2 GLN 81 2HE2 GLN 81 -4.455 -11.885 -3.241 634 H TRP 82 H TRP 82 -1.267 -7.120 -1.440 635 HA TRP 82 HA TRP 82 0.827 -8.894 -2.425 636 1HB TRP 82 2HB TRP 82 2.549 -7.754 -1.038 637 2HB TRP 82 1HB TRP 82 2.007 -6.799 -2.402 638 HD1 TRP 82 HD1 TRP 82 2.109 -6.825 1.382 639 HE1 TRP 82 HE1 TRP 82 1.335 -4.536 2.262 640 HE3 TRP 82 HE3 TRP 82 0.373 -4.816 -2.989 641 HZ2 TRP 82 HZ2 TRP 82 0.146 -2.191 1.247 642 HZ3 TRP 82 HZ3 TRP 82 -0.569 -2.543 -2.946 643 HH2 TRP 82 HH2 TRP 82 -0.679 -1.260 -0.871 644 H ARG 83 H ARG 83 1.941 -10.053 -0.712 645 HA ARG 83 HA ARG 83 0.276 -10.368 1.699 646 1HB ARG 83 2HB ARG 83 0.296 -12.280 -0.037 647 2HB ARG 83 1HB ARG 83 1.944 -12.572 0.500 648 1HG ARG 83 2HG ARG 83 0.799 -12.584 2.876 649 2HG ARG 83 1HG ARG 83 -0.624 -13.009 1.923 650 1HD ARG 83 2HD ARG 83 2.011 -14.469 2.023 651 2HD ARG 83 1HD ARG 83 0.456 -15.031 2.635 652 HE ARG 83 HE ARG 83 0.447 -14.450 -0.178 653 1HH1 ARG 83 2HH1 ARG 83 1.120 -16.876 2.240 654 2HH1 ARG 83 1HH1 ARG 83 0.910 -18.202 1.146 655 1HH2 ARG 83 1HH2 ARG 83 0.170 -16.193 -1.617 656 2HH2 ARG 83 2HH2 ARG 83 0.371 -17.815 -1.044 657 H ASP 84 H ASP 84 1.328 -9.625 3.421 658 HA ASP 84 HA ASP 84 4.233 -9.515 3.374 659 1HB ASP 84 2HB ASP 84 3.524 -7.463 4.081 660 2HB ASP 84 1HB ASP 84 2.086 -8.095 4.849 661 H ALA 85 H ALA 85 2.173 -10.000 6.206 662 HA ALA 85 HA ALA 85 3.916 -12.235 6.978 663 1HB ALA 85 1HB ALA 85 2.568 -11.743 9.232 664 2HB ALA 85 2HB ALA 85 2.450 -10.152 8.480 665 3HB ALA 85 3HB ALA 85 4.032 -10.869 8.781 666 H ARG 86 H ARG 86 0.524 -11.361 7.614 667 HA ARG 86 HA ARG 86 -0.288 -14.028 6.708 668 1HB ARG 86 2HB ARG 86 0.001 -14.234 9.119 669 2HB ARG 86 1HB ARG 86 -1.040 -12.842 9.384 670 1HG ARG 86 2HG ARG 86 -2.925 -14.033 9.111 671 2HG ARG 86 1HG ARG 86 -2.244 -15.005 7.805 672 1HD ARG 86 2HD ARG 86 -1.313 -15.395 10.620 673 2HD ARG 86 1HD ARG 86 -2.821 -16.127 10.076 674 HE ARG 86 HE ARG 86 -0.168 -16.966 9.423 675 1HH1 ARG 86 2HH1 ARG 86 -3.453 -16.854 8.249 676 2HH1 ARG 86 1HH1 ARG 86 -3.259 -18.224 7.207 677 1HH2 ARG 86 1HH2 ARG 86 0.089 -18.766 8.052 678 2HH2 ARG 86 2HH2 ARG 86 -1.248 -19.308 7.093 679 H GLN 87 H GLN 87 -0.727 -10.786 6.484 680 HA GLN 87 HA GLN 87 -3.543 -11.115 5.710 681 1HB GLN 87 2HB GLN 87 -3.356 -8.431 6.083 682 2HB GLN 87 1HB GLN 87 -3.954 -9.557 7.289 683 1HG GLN 87 2HG GLN 87 -2.473 -8.410 8.553 684 2HG GLN 87 1HG GLN 87 -1.399 -9.665 7.947 685 1HE2 GLN 87 1HE2 GLN 87 -0.419 -9.038 5.723 686 2HE2 GLN 87 2HE2 GLN 87 0.240 -7.445 5.641 687 H VAL 88 H VAL 88 -4.242 -9.578 4.010 688 HA VAL 88 HA VAL 88 -2.042 -9.050 2.120 689 HB VAL 88 HB VAL 88 -4.802 -9.567 1.108 690 1HG1 VAL 88 1HG1 VAL 88 -2.785 -8.812 -0.265 691 2HG1 VAL 88 2HG1 VAL 88 -3.711 -10.188 -0.866 692 3HG1 VAL 88 3HG1 VAL 88 -2.175 -10.451 -0.041 693 1HG2 VAL 88 1HG2 VAL 88 -2.869 -11.740 1.919 694 2HG2 VAL 88 2HG2 VAL 88 -4.331 -11.981 0.963 695 3HG2 VAL 88 3HG2 VAL 88 -4.451 -11.427 2.633 696 H TRP 89 H TRP 89 -1.852 -7.019 1.438 697 HA TRP 89 HA TRP 89 -3.991 -5.132 2.113 698 1HB TRP 89 2HB TRP 89 -1.049 -4.796 1.594 699 2HB TRP 89 1HB TRP 89 -2.144 -3.419 1.641 700 HD1 TRP 89 HD1 TRP 89 -0.767 -6.210 3.920 701 HE1 TRP 89 HE1 TRP 89 -0.943 -5.412 6.360 702 HE3 TRP 89 HE3 TRP 89 -3.300 -1.829 3.170 703 HZ2 TRP 89 HZ2 TRP 89 -2.013 -3.221 7.783 704 HZ3 TRP 89 HZ3 TRP 89 -3.856 -0.441 5.124 705 HH2 TRP 89 HH2 TRP 89 -3.231 -1.124 7.379 706 H GLY 90 H GLY 90 -5.374 -5.417 0.366 707 1HA GLY 90 2HA GLY 90 -4.353 -5.148 -2.338 708 2HA GLY 90 1HA GLY 90 -6.012 -5.450 -1.880 709 H LEU 91 H LEU 91 -4.112 -3.289 -3.352 710 HA LEU 91 HA LEU 91 -5.521 -0.934 -2.312 711 1HB LEU 91 2HB LEU 91 -2.944 -1.379 -3.712 712 2HB LEU 91 1HB LEU 91 -3.786 0.115 -4.065 713 HG LEU 91 HG LEU 91 -2.032 0.211 -2.248 714 1HD1 LEU 91 1HD1 LEU 91 -3.933 1.838 -2.633 715 2HD1 LEU 91 2HD1 LEU 91 -3.210 1.828 -1.026 716 3HD1 LEU 91 3HD1 LEU 91 -4.757 1.029 -1.301 717 1HD2 LEU 91 1HD2 LEU 91 -4.149 -1.124 -0.580 718 2HD2 LEU 91 2HD2 LEU 91 -2.533 -0.622 -0.083 719 3HD2 LEU 91 3HD2 LEU 91 -2.731 -1.963 -1.212 720 H ASN 92 H ASN 92 -7.379 -0.505 -3.341 721 HA ASN 92 HA ASN 92 -7.610 -1.148 -6.186 722 1HB ASN 92 2HB ASN 92 -9.449 -1.583 -4.378 723 2HB ASN 92 1HB ASN 92 -9.809 0.126 -4.593 724 1HD2 ASN 92 1HD2 ASN 92 -9.117 0.164 -7.431 725 2HD2 ASN 92 2HD2 ASN 92 -10.399 -0.667 -8.239 726 H PHE 93 H PHE 93 -6.681 0.321 -7.417 727 HA PHE 93 HA PHE 93 -6.560 3.092 -6.726 728 1HB PHE 93 2HB PHE 93 -5.845 1.745 -9.327 729 2HB PHE 93 1HB PHE 93 -5.341 3.340 -8.792 730 HD1 PHE 93 HD1 PHE 93 -3.706 3.579 -6.960 731 HD2 PHE 93 HD2 PHE 93 -4.791 -0.220 -8.525 732 HE1 PHE 93 HE1 PHE 93 -1.748 2.575 -5.870 733 HE2 PHE 93 HE2 PHE 93 -2.831 -1.229 -7.449 734 HZ PHE 93 HZ PHE 93 -1.306 0.168 -6.117 735 H GLY 94 H GLY 94 -7.173 4.801 -8.249 736 1HA GLY 94 2HA GLY 94 -9.965 4.451 -9.000 737 2HA GLY 94 1HA GLY 94 -9.075 5.966 -8.965 738 H SER 95 H SER 95 -6.864 4.737 -10.544 739 HA SER 95 HA SER 95 -8.090 4.168 -13.111 740 1HB SER 95 2HB SER 95 -7.879 6.730 -12.782 741 2HB SER 95 1HB SER 95 -6.148 6.465 -12.987 742 HG SER 95 HG SER 95 -7.173 6.942 -14.972 743 H LYS 96 H LYS 96 -6.466 3.586 -14.755 744 HA LYS 96 HA LYS 96 -4.605 1.749 -13.784 745 1HB LYS 96 2HB LYS 96 -3.697 1.789 -16.140 746 2HB LYS 96 1HB LYS 96 -5.417 1.461 -15.994 747 1HG LYS 96 2HG LYS 96 -5.313 4.203 -16.255 748 2HG LYS 96 1HG LYS 96 -4.042 3.634 -17.337 749 1HD LYS 96 2HD LYS 96 -5.507 2.691 -18.769 750 2HD LYS 96 1HD LYS 96 -6.568 2.132 -17.474 751 1HE LYS 96 2HE LYS 96 -7.824 4.018 -17.506 752 2HE LYS 96 1HE LYS 96 -6.454 5.052 -17.911 753 1HZ LYS 96 1HZ LYS 96 -8.336 4.563 -19.640 754 2HZ LYS 96 2HZ LYS 96 -7.422 3.170 -19.937 755 3HZ LYS 96 3HZ LYS 96 -6.722 4.698 -20.131 756 H GLU 97 H GLU 97 -4.313 5.159 -14.343 757 HA GLU 97 HA GLU 97 -1.492 5.290 -14.558 758 1HB GLU 97 2HB GLU 97 -3.558 7.090 -14.805 759 2HB GLU 97 1HB GLU 97 -2.780 7.615 -13.318 760 1HG GLU 97 2HG GLU 97 -1.746 8.845 -15.010 761 2HG GLU 97 1HG GLU 97 -0.601 7.563 -14.619 762 H ASP 98 H ASP 98 -3.610 6.091 -11.792 763 HA ASP 98 HA ASP 98 -1.691 6.545 -9.882 764 1HB ASP 98 2HB ASP 98 -4.256 5.029 -9.362 765 2HB ASP 98 1HB ASP 98 -3.354 6.019 -8.220 766 H ALA 99 H ALA 99 -3.268 3.422 -10.522 767 HA ALA 99 HA ALA 99 -1.878 1.810 -8.797 768 1HB ALA 99 1HB ALA 99 -3.812 1.237 -10.358 769 2HB ALA 99 2HB ALA 99 -2.604 -0.017 -10.068 770 3HB ALA 99 3HB ALA 99 -2.573 0.907 -11.571 771 H ALA 100 H ALA 100 -0.812 3.077 -11.898 772 HA ALA 100 HA ALA 100 1.495 1.409 -12.108 773 1HB ALA 100 1HB ALA 100 1.041 2.192 -14.176 774 2HB ALA 100 2HB ALA 100 2.123 3.495 -13.684 775 3HB ALA 100 3HB ALA 100 0.376 3.711 -13.574 776 H GLN 101 H GLN 101 0.817 4.492 -10.607 777 HA GLN 101 HA GLN 101 3.561 5.219 -10.225 778 1HB GLN 101 2HB GLN 101 1.596 6.815 -10.330 779 2HB GLN 101 1HB GLN 101 1.179 6.279 -8.709 780 1HG GLN 101 2HG GLN 101 2.398 8.338 -8.582 781 2HG GLN 101 1HG GLN 101 3.384 7.035 -7.920 782 1HE2 GLN 101 1HE2 GLN 101 5.040 6.133 -9.310 783 2HE2 GLN 101 2HE2 GLN 101 5.814 7.150 -10.473 784 H PHE 102 H PHE 102 1.001 4.006 -8.065 785 HA PHE 102 HA PHE 102 2.374 3.914 -5.691 786 1HB PHE 102 2HB PHE 102 -0.053 3.304 -6.134 787 2HB PHE 102 1HB PHE 102 0.516 1.708 -6.576 788 HD1 PHE 102 HD1 PHE 102 0.049 0.168 -4.915 789 HD2 PHE 102 HD2 PHE 102 1.343 4.083 -3.829 790 HE1 PHE 102 HE1 PHE 102 0.005 -0.471 -2.544 791 HE2 PHE 102 HE2 PHE 102 1.302 3.442 -1.458 792 HZ PHE 102 HZ PHE 102 0.631 1.162 -0.811 793 H ALA 103 H ALA 103 2.231 1.310 -8.123 794 HA ALA 103 HA ALA 103 4.026 -0.414 -6.796 795 1HB ALA 103 1HB ALA 103 4.254 -0.903 -9.549 796 2HB ALA 103 2HB ALA 103 2.597 -0.365 -9.281 797 3HB ALA 103 3HB ALA 103 3.233 -1.744 -8.385 798 H ALA 104 H ALA 104 4.471 2.273 -8.972 799 HA ALA 104 HA ALA 104 6.987 1.956 -9.972 800 1HB ALA 104 1HB ALA 104 6.157 4.580 -8.770 801 2HB ALA 104 2HB ALA 104 5.375 3.932 -10.212 802 3HB ALA 104 3HB ALA 104 7.104 4.279 -10.229 803 H GLY 105 H GLY 105 6.378 3.744 -6.950 804 1HA GLY 105 2HA GLY 105 9.088 3.714 -6.128 805 2HA GLY 105 1HA GLY 105 7.711 4.065 -5.099 806 H MET 106 H MET 106 6.313 1.751 -5.131 807 HA MET 106 HA MET 106 7.460 0.217 -3.170 808 1HB MET 106 2HB MET 106 5.104 0.052 -3.729 809 2HB MET 106 1HB MET 106 5.496 -0.640 -5.299 810 1HG MET 106 2HG MET 106 4.933 -2.499 -4.080 811 2HG MET 106 1HG MET 106 6.682 -2.472 -3.922 812 1HE MET 106 1HE MET 106 6.152 -4.164 -2.437 813 2HE MET 106 2HE MET 106 4.902 -4.085 -1.192 814 3HE MET 106 3HE MET 106 6.589 -3.787 -0.769 815 H ALA 107 H ALA 107 7.224 -0.725 -6.585 816 HA ALA 107 HA ALA 107 8.723 -3.001 -6.605 817 1HB ALA 107 1HB ALA 107 8.270 -0.858 -8.613 818 2HB ALA 107 2HB ALA 107 7.856 -2.571 -8.672 819 3HB ALA 107 3HB ALA 107 9.520 -2.057 -8.949 820 H SER 108 H SER 108 9.873 0.324 -6.531 821 HA SER 108 HA SER 108 12.628 -0.259 -6.865 822 1HB SER 108 2HB SER 108 11.256 2.034 -6.910 823 2HB SER 108 1HB SER 108 11.796 2.095 -5.232 824 HG SER 108 HG SER 108 13.707 2.596 -5.920 825 H ALA 109 H ALA 109 10.489 -0.036 -4.074 826 HA ALA 109 HA ALA 109 12.484 -0.205 -2.073 827 1HB ALA 109 1HB ALA 109 10.608 0.396 -0.997 828 2HB ALA 109 2HB ALA 109 10.293 -1.337 -0.899 829 3HB ALA 109 3HB ALA 109 9.563 -0.378 -2.188 830 H LEU 110 H LEU 110 10.340 -2.691 -3.433 831 HA LEU 110 HA LEU 110 11.477 -4.857 -2.044 832 1HB LEU 110 2HB LEU 110 10.189 -5.116 -4.743 833 2HB LEU 110 1HB LEU 110 10.172 -6.254 -3.411 834 HG LEU 110 HG LEU 110 8.776 -3.586 -3.291 835 1HD1 LEU 110 1HD1 LEU 110 7.040 -4.356 -4.440 836 2HD1 LEU 110 2HD1 LEU 110 7.052 -5.893 -3.573 837 3HD1 LEU 110 3HD1 LEU 110 8.089 -5.665 -4.983 838 1HD2 LEU 110 1HD2 LEU 110 8.588 -4.152 -1.146 839 2HD2 LEU 110 2HD2 LEU 110 9.219 -5.772 -1.441 840 3HD2 LEU 110 3HD2 LEU 110 7.503 -5.438 -1.674 841 H GLU 111 H GLU 111 12.648 -3.033 -4.659 842 HA GLU 111 HA GLU 111 14.335 -5.164 -5.696 843 1HB GLU 111 2HB GLU 111 13.570 -2.426 -6.555 844 2HB GLU 111 1HB GLU 111 15.130 -3.035 -7.084 845 1HG GLU 111 2HG GLU 111 13.884 -5.088 -7.878 846 2HG GLU 111 1HG GLU 111 12.412 -4.154 -7.635 847 H ALA 112 H ALA 112 14.514 -2.399 -3.626 848 HA ALA 112 HA ALA 112 17.444 -2.527 -3.557 849 1HB ALA 112 1HB ALA 112 17.146 -0.303 -3.551 850 2HB ALA 112 2HB ALA 112 16.749 -0.509 -1.843 851 3HB ALA 112 3HB ALA 112 15.460 -0.437 -3.048 852 H LEU 113 H LEU 113 14.955 -4.035 -2.162 853 HA LEU 113 HA LEU 113 16.231 -4.183 0.483 854 1HB LEU 113 2HB LEU 113 13.531 -3.814 -0.349 855 2HB LEU 113 1HB LEU 113 13.641 -5.347 0.469 856 HG LEU 113 HG LEU 113 13.024 -3.299 1.866 857 1HD1 LEU 113 1HD1 LEU 113 14.234 -5.627 2.526 858 2HD1 LEU 113 2HD1 LEU 113 13.734 -4.405 3.695 859 3HD1 LEU 113 3HD1 LEU 113 15.408 -4.463 3.140 860 1HD2 LEU 113 1HD2 LEU 113 14.436 -1.592 2.100 861 2HD2 LEU 113 2HD2 LEU 113 15.309 -2.255 0.717 862 3HD2 LEU 113 3HD2 LEU 113 15.815 -2.660 2.357 863 H GLU 114 H GLU 114 14.866 -6.001 -2.197 864 HA GLU 114 HA GLU 114 15.695 -8.533 -1.000 865 1HB GLU 114 2HB GLU 114 14.189 -7.963 -3.561 866 2HB GLU 114 1HB GLU 114 14.529 -9.564 -2.919 867 1HG GLU 114 2HG GLU 114 13.262 -8.837 -0.846 868 2HG GLU 114 1HG GLU 114 12.719 -7.453 -1.793 869 H GLY 115 HN GLY 115 16.574 -6.291 -3.529 870 1HA GLY 115 2HA GLY 115 18.285 -8.077 -4.961 871 2HA GLY 115 1HA GLY 115 18.259 -6.325 -5.100 Start of MODEL 7 1 1H MET 1 1H MET 1 13.775 11.380 13.468 2 2H MET 1 2H MET 1 12.947 11.792 14.914 3 3H MET 1 3H MET 1 12.592 12.620 13.453 4 HA MET 1 HA MET 1 12.229 9.728 13.761 5 1HB MET 1 2HB MET 1 9.906 10.174 14.324 6 2HB MET 1 1HB MET 1 10.961 10.939 15.505 7 1HG MET 1 2HG MET 1 10.551 13.082 14.647 8 2HG MET 1 1HG MET 1 9.847 12.443 13.163 9 1HE MET 1 1HE MET 1 6.588 13.932 14.406 10 2HE MET 1 2HE MET 1 7.400 13.302 12.973 11 3HE MET 1 3HE MET 1 8.187 14.531 13.964 12 H SER 2 H SER 2 9.882 9.548 12.440 13 HA SER 2 HA SER 2 8.942 9.462 10.372 14 1HB SER 2 2HB SER 2 10.375 12.061 9.793 15 2HB SER 2 1HB SER 2 8.911 11.447 9.024 16 HG SER 2 HG SER 2 7.875 11.648 11.075 17 H GLU 3 H GLU 3 9.757 10.041 7.861 18 HA GLU 3 HA GLU 3 12.490 9.251 7.429 19 1HB GLU 3 2HB GLU 3 10.300 7.285 7.351 20 2HB GLU 3 1HB GLU 3 11.347 7.274 5.941 21 1HG GLU 3 2HG GLU 3 12.861 6.120 7.060 22 2HG GLU 3 1HG GLU 3 12.990 7.420 8.244 23 H THR 4 H THR 4 12.511 8.485 4.878 24 HA THR 4 HA THR 4 11.474 10.840 3.501 25 HB THR 4 HB THR 4 13.489 8.739 2.686 26 HG1 THR 4 HG1 THR 4 14.211 10.267 4.217 27 1HG2 THR 4 1HG2 THR 4 12.242 10.909 1.107 28 2HG2 THR 4 2HG2 THR 4 12.862 9.339 0.596 29 3HG2 THR 4 3HG2 THR 4 13.980 10.660 0.938 30 H VAL 5 H VAL 5 10.037 10.782 1.834 31 HA VAL 5 HA VAL 5 8.547 8.306 1.501 32 HB VAL 5 HB VAL 5 8.008 11.145 0.639 33 1HG1 VAL 5 1HG1 VAL 5 5.711 10.064 0.009 34 2HG1 VAL 5 2HG1 VAL 5 6.685 8.616 -0.229 35 3HG1 VAL 5 3HG1 VAL 5 7.037 10.077 -1.152 36 1HG2 VAL 5 1HG2 VAL 5 6.037 9.624 2.194 37 2HG2 VAL 5 2HG2 VAL 5 6.623 11.275 2.404 38 3HG2 VAL 5 3HG2 VAL 5 7.568 9.919 3.021 39 H ILE 6 H ILE 6 8.085 7.377 -0.555 40 HA ILE 6 HA ILE 6 10.208 7.874 -2.519 41 HB ILE 6 HB ILE 6 8.447 5.495 -2.775 42 1HG1 ILE 6 2HG1 ILE 6 10.409 5.940 -0.544 43 2HG1 ILE 6 1HG1 ILE 6 8.806 5.230 -0.479 44 1HG2 ILE 6 1HG2 ILE 6 10.499 6.312 -4.201 45 2HG2 ILE 6 2HG2 ILE 6 10.217 4.598 -3.896 46 3HG2 ILE 6 3HG2 ILE 6 11.413 5.478 -2.942 47 1HD1 ILE 6 1HD1 ILE 6 9.878 3.363 -1.944 48 2HD1 ILE 6 2HD1 ILE 6 10.131 3.388 -0.199 49 3HD1 ILE 6 3HD1 ILE 6 11.387 3.992 -1.279 50 H CYS 7 H CYS 7 6.860 6.640 -2.759 51 HA CYS 7 HA CYS 7 6.420 8.556 -4.947 52 1HB CYS 7 2HB CYS 7 6.638 5.759 -5.204 53 2HB CYS 7 1HB CYS 7 4.929 6.135 -5.390 54 HG CYS 7 HG CYS 7 5.380 7.187 -7.575 55 H SER 8 H SER 8 3.922 8.289 -5.607 56 HA SER 8 HA SER 8 2.194 8.028 -3.287 57 1HB SER 8 2HB SER 8 1.488 10.247 -3.133 58 2HB SER 8 1HB SER 8 3.218 10.428 -3.421 59 HG SER 8 HG SER 8 2.826 11.006 -5.495 60 H SER 9 H SER 9 0.321 7.138 -3.914 61 HA SER 9 HA SER 9 -0.664 7.702 -6.625 62 1HB SER 9 2HB SER 9 0.486 5.533 -6.683 63 2HB SER 9 1HB SER 9 -0.525 4.961 -5.357 64 HG SER 9 HG SER 9 -1.466 4.252 -7.224 65 H ARG 10 H ARG 10 -2.954 7.000 -6.923 66 HA ARG 10 HA ARG 10 -4.496 7.539 -4.473 67 1HB ARG 10 2HB ARG 10 -4.605 8.965 -6.714 68 2HB ARG 10 1HB ARG 10 -5.729 7.699 -7.188 69 1HG ARG 10 2HG ARG 10 -7.088 8.172 -5.206 70 2HG ARG 10 1HG ARG 10 -5.969 9.461 -4.759 71 1HD ARG 10 2HD ARG 10 -7.492 9.359 -7.359 72 2HD ARG 10 1HD ARG 10 -8.027 10.243 -5.932 73 HE ARG 10 HE ARG 10 -6.380 11.825 -6.306 74 1HH1 ARG 10 2HH1 ARG 10 -6.010 9.157 -8.532 75 2HH1 ARG 10 1HH1 ARG 10 -4.890 10.000 -9.546 76 1HH2 ARG 10 1HH2 ARG 10 -4.907 12.928 -7.641 77 2HH2 ARG 10 2HH2 ARG 10 -4.263 12.138 -9.041 78 H ALA 11 H ALA 11 -5.569 5.882 -3.610 79 HA ALA 11 HA ALA 11 -7.007 3.985 -5.185 80 1HB ALA 11 1HB ALA 11 -4.272 3.369 -4.481 81 2HB ALA 11 2HB ALA 11 -5.385 2.490 -5.524 82 3HB ALA 11 3HB ALA 11 -5.392 2.199 -3.787 83 H THR 12 H THR 12 -7.748 2.100 -3.673 84 HA THR 12 HA THR 12 -8.405 3.287 -1.057 85 HB THR 12 HB THR 12 -10.053 1.269 -2.589 86 HG1 THR 12 HG1 THR 12 -11.241 2.928 -3.341 87 1HG2 THR 12 1HG2 THR 12 -10.402 1.418 -0.113 88 2HG2 THR 12 2HG2 THR 12 -11.822 1.758 -1.103 89 3HG2 THR 12 3HG2 THR 12 -10.924 3.085 -0.364 90 H VAL 13 H VAL 13 -6.800 2.381 0.167 91 HA VAL 13 HA VAL 13 -5.672 -0.096 0.013 92 HB VAL 13 HB VAL 13 -6.296 1.503 2.495 93 1HG1 VAL 13 1HG1 VAL 13 -4.591 0.147 3.629 94 2HG1 VAL 13 2HG1 VAL 13 -4.468 -0.882 2.202 95 3HG1 VAL 13 3HG1 VAL 13 -5.971 -0.830 3.125 96 1HG2 VAL 13 1HG2 VAL 13 -3.824 1.210 0.795 97 2HG2 VAL 13 2HG2 VAL 13 -3.885 2.077 2.325 98 3HG2 VAL 13 3HG2 VAL 13 -4.836 2.644 0.953 99 H MET 14 H MET 14 -5.996 -2.091 1.036 100 HA MET 14 HA MET 14 -8.583 -2.644 2.239 101 1HB MET 14 2HB MET 14 -8.627 -2.892 -0.378 102 2HB MET 14 1HB MET 14 -7.751 -4.373 -0.067 103 1HG MET 14 2HG MET 14 -9.556 -5.427 0.731 104 2HG MET 14 1HG MET 14 -10.141 -4.002 1.583 105 1HE MET 14 1HE MET 14 -13.306 -4.103 -0.106 106 2HE MET 14 2HE MET 14 -12.509 -2.622 0.424 107 3HE MET 14 3HE MET 14 -12.303 -4.112 1.345 108 H LEU 15 H LEU 15 -8.609 -4.532 3.483 109 HA LEU 15 HA LEU 15 -6.026 -5.930 3.712 110 1HB LEU 15 2HB LEU 15 -7.587 -4.527 5.732 111 2HB LEU 15 1HB LEU 15 -7.253 -6.184 6.192 112 HG LEU 15 HG LEU 15 -5.276 -3.988 5.627 113 1HD1 LEU 15 1HD1 LEU 15 -5.829 -3.842 7.850 114 2HD1 LEU 15 2HD1 LEU 15 -4.472 -4.967 7.911 115 3HD1 LEU 15 3HD1 LEU 15 -6.126 -5.573 8.002 116 1HD2 LEU 15 1HD2 LEU 15 -4.876 -6.951 5.656 117 2HD2 LEU 15 2HD2 LEU 15 -3.592 -5.862 6.184 118 3HD2 LEU 15 3HD2 LEU 15 -4.228 -5.746 4.544 119 H TYR 16 H TYR 16 -6.326 -7.897 2.885 120 HA TYR 16 HA TYR 16 -8.862 -9.178 2.793 121 1HB TYR 16 2HB TYR 16 -6.816 -9.466 1.221 122 2HB TYR 16 1HB TYR 16 -6.277 -10.644 2.409 123 HD1 TYR 16 HD1 TYR 16 -7.341 -12.774 2.614 124 HD2 TYR 16 HD2 TYR 16 -8.890 -9.851 -0.060 125 HE1 TYR 16 HE1 TYR 16 -8.769 -14.485 1.586 126 HE2 TYR 16 HE2 TYR 16 -10.326 -11.548 -1.103 127 HH TYR 16 HH TYR 16 -11.311 -13.714 -0.558 128 H ASP 17 H ASP 17 -9.491 -11.136 3.738 129 HA ASP 17 HA ASP 17 -8.126 -11.797 6.263 130 1HB ASP 17 2HB ASP 17 -10.554 -10.583 6.161 131 2HB ASP 17 1HB ASP 17 -11.044 -12.275 6.127 132 H ASP 18 H ASP 18 -7.039 -13.526 5.285 133 HA ASP 18 HA ASP 18 -8.095 -15.470 3.624 134 1HB ASP 18 2HB ASP 18 -6.253 -16.908 4.373 135 2HB ASP 18 1HB ASP 18 -5.698 -15.259 4.099 136 H GLY 19 H GLY 19 -8.650 -14.978 6.986 137 1HA GLY 19 2HA GLY 19 -9.302 -17.546 7.851 138 2HA GLY 19 1HA GLY 19 -9.990 -16.065 8.497 139 H ASN 20 H ASN 20 -11.215 -15.235 6.013 140 HA ASN 20 HA ASN 20 -13.224 -17.342 5.615 141 1HB ASN 20 2HB ASN 20 -13.784 -14.424 6.177 142 2HB ASN 20 1HB ASN 20 -14.997 -15.591 5.659 143 1HD2 ASN 20 1HD2 ASN 20 -13.581 -14.126 8.269 144 2HD2 ASN 20 2HD2 ASN 20 -14.084 -15.221 9.506 145 H LYS 21 H LYS 21 -10.910 -15.899 4.083 146 HA LYS 21 HA LYS 21 -10.465 -15.206 1.961 147 1HB LYS 21 2HB LYS 21 -12.144 -17.479 1.854 148 2HB LYS 21 1HB LYS 21 -12.682 -16.395 0.579 149 1HG LYS 21 2HG LYS 21 -10.124 -16.256 0.038 150 2HG LYS 21 1HG LYS 21 -10.074 -17.788 0.909 151 1HD LYS 21 2HD LYS 21 -10.396 -18.433 -1.308 152 2HD LYS 21 1HD LYS 21 -12.022 -18.482 -0.624 153 1HE LYS 21 2HE LYS 21 -12.751 -16.790 -1.915 154 2HE LYS 21 1HE LYS 21 -11.245 -15.888 -1.755 155 1HZ LYS 21 1HZ LYS 21 -10.398 -16.801 -3.614 156 2HZ LYS 21 2HZ LYS 21 -12.023 -17.048 -4.012 157 3HZ LYS 21 3HZ LYS 21 -11.114 -18.312 -3.351 158 H ARG 22 H ARG 22 -10.952 -12.993 2.391 159 HA ARG 22 HA ARG 22 -12.695 -11.792 0.571 160 1HB ARG 22 2HB ARG 22 -14.300 -10.797 2.317 161 2HB ARG 22 1HB ARG 22 -14.586 -12.450 1.788 162 1HG ARG 22 2HG ARG 22 -14.348 -13.240 3.848 163 2HG ARG 22 1HG ARG 22 -12.826 -12.374 4.078 164 1HD ARG 22 2HD ARG 22 -14.538 -10.320 4.268 165 2HD ARG 22 1HD ARG 22 -15.585 -11.619 4.839 166 HE ARG 22 HE ARG 22 -12.992 -11.566 6.088 167 1HH1 ARG 22 2HH1 ARG 22 -16.261 -10.348 6.207 168 2HH1 ARG 22 1HH1 ARG 22 -16.201 -9.994 7.902 169 1HH2 ARG 22 1HH2 ARG 22 -12.911 -11.103 8.316 170 2HH2 ARG 22 2HH2 ARG 22 -14.299 -10.424 9.099 171 H TRP 23 H TRP 23 -12.679 -9.471 0.692 172 HA TRP 23 HA TRP 23 -10.259 -8.439 1.812 173 1HB TRP 23 2HB TRP 23 -12.543 -7.225 0.283 174 2HB TRP 23 1HB TRP 23 -11.302 -6.208 0.999 175 HD1 TRP 23 HD1 TRP 23 -12.107 -7.563 -2.173 176 HE1 TRP 23 HE1 TRP 23 -10.061 -7.897 -3.686 177 HE3 TRP 23 HE3 TRP 23 -8.431 -7.211 1.355 178 HZ2 TRP 23 HZ2 TRP 23 -7.263 -7.988 -3.425 179 HZ3 TRP 23 HZ3 TRP 23 -6.089 -7.428 0.636 180 HH2 TRP 23 HH2 TRP 23 -5.518 -7.807 -1.707 181 H LEU 24 H LEU 24 -10.395 -6.251 3.004 182 HA LEU 24 HA LEU 24 -12.614 -5.818 4.742 183 1HB LEU 24 2HB LEU 24 -10.747 -7.745 5.583 184 2HB LEU 24 1HB LEU 24 -10.399 -6.306 6.523 185 HG LEU 24 HG LEU 24 -13.033 -7.771 6.377 186 1HD1 LEU 24 1HD1 LEU 24 -12.552 -7.937 8.880 187 2HD1 LEU 24 2HD1 LEU 24 -10.893 -7.507 8.462 188 3HD1 LEU 24 3HD1 LEU 24 -11.618 -8.971 7.799 189 1HD2 LEU 24 1HD2 LEU 24 -13.863 -5.695 6.716 190 2HD2 LEU 24 2HD2 LEU 24 -12.331 -5.059 7.316 191 3HD2 LEU 24 3HD2 LEU 24 -13.364 -6.018 8.376 192 HA PRO 25 HA PRO 25 -10.844 -1.751 4.005 193 1HB PRO 25 2HB PRO 25 -12.398 -1.338 6.533 194 2HB PRO 25 1HB PRO 25 -12.308 -0.317 5.093 195 1HG PRO 25 2HG PRO 25 -14.399 -1.924 5.507 196 2HG PRO 25 1HG PRO 25 -13.743 -1.666 3.880 197 1HD PRO 25 2HD PRO 25 -13.575 -4.051 5.622 198 2HD PRO 25 1HD PRO 25 -13.477 -3.933 3.855 199 H ALA 26 H ALA 26 -8.669 -2.229 4.482 200 HA ALA 26 HA ALA 26 -7.465 -2.893 6.822 201 1HB ALA 26 1HB ALA 26 -5.464 -2.047 5.965 202 2HB ALA 26 2HB ALA 26 -6.284 -0.762 5.079 203 3HB ALA 26 3HB ALA 26 -6.423 -2.435 4.536 204 H GLY 27 H GLY 27 -8.423 0.367 5.845 205 1HA GLY 27 2HA GLY 27 -7.338 1.792 7.984 206 2HA GLY 27 1HA GLY 27 -8.749 2.287 7.061 207 H THR 28 H THR 28 -10.689 2.271 8.033 208 HA THR 28 HA THR 28 -10.900 0.904 10.633 209 HB THR 28 HB THR 28 -12.460 2.777 11.290 210 HG1 THR 28 HG1 THR 28 -12.720 4.437 10.003 211 1HG2 THR 28 1HG2 THR 28 -10.816 4.000 12.221 212 2HG2 THR 28 2HG2 THR 28 -9.905 4.130 10.716 213 3HG2 THR 28 3HG2 THR 28 -9.826 2.649 11.670 214 H GLY 29 H GLY 29 -13.289 2.696 8.738 215 1HA GLY 29 2HA GLY 29 -14.732 0.178 8.251 216 2HA GLY 29 1HA GLY 29 -15.564 1.515 9.031 217 HA PRO 30 HA PRO 30 -16.885 3.342 5.259 218 1HB PRO 30 2HB PRO 30 -15.274 5.763 5.922 219 2HB PRO 30 1HB PRO 30 -16.981 5.634 5.480 220 1HG PRO 30 2HG PRO 30 -16.265 6.054 8.009 221 2HG PRO 30 1HG PRO 30 -17.619 4.979 7.613 222 1HD PRO 30 2HD PRO 30 -14.850 4.300 8.487 223 2HD PRO 30 1HD PRO 30 -16.382 3.479 8.846 224 H GLN 31 H GLN 31 -15.961 4.704 3.314 225 HA GLN 31 HA GLN 31 -13.151 4.135 2.804 226 1HB GLN 31 2HB GLN 31 -15.429 2.905 1.285 227 2HB GLN 31 1HB GLN 31 -13.890 3.208 0.497 228 1HG GLN 31 2HG GLN 31 -12.981 1.403 1.398 229 2HG GLN 31 1HG GLN 31 -13.500 1.870 3.016 230 1HE2 GLN 31 1HE2 GLN 31 -14.221 -0.003 0.200 231 2HE2 GLN 31 2HE2 GLN 31 -15.523 -0.913 0.879 232 H ALA 32 H ALA 32 -12.272 5.304 1.062 233 HA ALA 32 HA ALA 32 -13.676 6.982 -0.677 234 1HB ALA 32 1HB ALA 32 -13.679 9.084 0.302 235 2HB ALA 32 2HB ALA 32 -12.466 8.640 1.502 236 3HB ALA 32 3HB ALA 32 -14.119 8.047 1.659 237 H PHE 33 H PHE 33 -11.563 5.266 -0.898 238 HA PHE 33 HA PHE 33 -9.429 5.038 -1.670 239 1HB PHE 33 2HB PHE 33 -10.199 7.749 -2.714 240 2HB PHE 33 1HB PHE 33 -8.604 7.088 -3.023 241 HD1 PHE 33 HD1 PHE 33 -12.218 6.482 -3.523 242 HD2 PHE 33 HD2 PHE 33 -8.248 5.494 -4.681 243 HE1 PHE 33 HE1 PHE 33 -13.097 5.213 -5.439 244 HE2 PHE 33 HE2 PHE 33 -9.113 4.225 -6.594 245 HZ PHE 33 HZ PHE 33 -11.543 4.081 -6.981 246 H SER 34 H SER 34 -7.221 6.489 -1.841 247 HA SER 34 HA SER 34 -6.738 8.305 0.259 248 1HB SER 34 2HB SER 34 -5.509 6.916 1.824 249 2HB SER 34 1HB SER 34 -7.136 6.265 1.634 250 HG SER 34 HG SER 34 -6.357 4.576 0.542 251 H ARG 35 H ARG 35 -4.597 9.030 0.325 252 HA ARG 35 HA ARG 35 -3.060 8.352 -2.066 253 1HB ARG 35 2HB ARG 35 -3.647 10.761 -1.283 254 2HB ARG 35 1HB ARG 35 -2.351 10.529 -0.117 255 1HG ARG 35 2HG ARG 35 -1.047 11.370 -1.723 256 2HG ARG 35 1HG ARG 35 -1.139 9.751 -2.419 257 1HD ARG 35 2HD ARG 35 -2.743 10.381 -3.982 258 2HD ARG 35 1HD ARG 35 -3.212 11.812 -3.066 259 HE ARG 35 HE ARG 35 -0.501 11.888 -4.018 260 1HH1 ARG 35 2HH1 ARG 35 -3.832 12.557 -4.817 261 2HH1 ARG 35 1HH1 ARG 35 -3.437 13.743 -6.015 262 1HH2 ARG 35 1HH2 ARG 35 0.020 13.448 -5.593 263 2HH2 ARG 35 2HH2 ARG 35 -1.251 14.247 -6.457 264 H VAL 36 H VAL 36 -2.035 6.461 -1.565 265 HA VAL 36 HA VAL 36 -0.553 6.285 0.931 266 HB VAL 36 HB VAL 36 -0.817 4.159 -1.185 267 1HG1 VAL 36 1HG1 VAL 36 -0.087 4.011 1.738 268 2HG1 VAL 36 2HG1 VAL 36 1.037 3.861 0.389 269 3HG1 VAL 36 3HG1 VAL 36 -0.217 2.644 0.632 270 1HG2 VAL 36 1HG2 VAL 36 -2.830 5.218 0.506 271 2HG2 VAL 36 2HG2 VAL 36 -2.399 3.623 1.122 272 3HG2 VAL 36 3HG2 VAL 36 -2.918 3.809 -0.553 273 H GLN 37 H GLN 37 1.437 6.901 1.060 274 HA GLN 37 HA GLN 37 3.156 6.816 -1.322 275 1HB GLN 37 2HB GLN 37 3.257 8.539 1.155 276 2HB GLN 37 1HB GLN 37 4.563 8.467 -0.020 277 1HG GLN 37 2HG GLN 37 2.893 9.163 -1.755 278 2HG GLN 37 1HG GLN 37 1.762 9.463 -0.440 279 1HE2 GLN 37 1HE2 GLN 37 4.596 10.547 -2.088 280 2HE2 GLN 37 2HE2 GLN 37 4.744 12.066 -1.280 281 H ILE 38 H ILE 38 5.394 6.133 -0.986 282 HA ILE 38 HA ILE 38 5.530 4.110 1.139 283 HB ILE 38 HB ILE 38 7.272 4.395 -1.314 284 1HG1 ILE 38 2HG1 ILE 38 5.017 2.459 -0.747 285 2HG1 ILE 38 1HG1 ILE 38 4.916 3.841 -1.833 286 1HG2 ILE 38 1HG2 ILE 38 7.036 2.088 0.619 287 2HG2 ILE 38 2HG2 ILE 38 8.344 3.271 0.624 288 3HG2 ILE 38 3HG2 ILE 38 8.125 2.206 -0.764 289 1HD1 ILE 38 1HD1 ILE 38 5.614 2.544 -3.473 290 2HD1 ILE 38 2HD1 ILE 38 5.850 1.201 -2.354 291 3HD1 ILE 38 3HD1 ILE 38 7.156 2.353 -2.639 292 H TYR 39 H TYR 39 7.354 3.944 2.481 293 HA TYR 39 HA TYR 39 8.919 6.428 2.635 294 1HB TYR 39 2HB TYR 39 7.784 4.637 4.747 295 2HB TYR 39 1HB TYR 39 9.229 5.583 5.097 296 HD1 TYR 39 HD1 TYR 39 5.845 6.059 3.578 297 HD2 TYR 39 HD2 TYR 39 8.926 7.672 6.026 298 HE1 TYR 39 HE1 TYR 39 4.451 8.030 4.018 299 HE2 TYR 39 HE2 TYR 39 7.539 9.645 6.485 300 HH TYR 39 HH TYR 39 4.487 9.855 6.218 301 H HIS 40 H HIS 40 10.968 6.263 2.126 302 HA HIS 40 HA HIS 40 12.227 3.636 2.059 303 1HB HIS 40 2HB HIS 40 12.420 5.030 0.060 304 2HB HIS 40 1HB HIS 40 13.166 6.313 1.002 305 HD1 HIS 40 HD1 HIS 40 14.860 5.554 -1.215 306 HD2 HIS 40 HD2 HIS 40 14.885 3.340 2.301 307 HE1 HIS 40 HE1 HIS 40 17.050 4.317 -1.215 308 HE2 HIS 40 HE2 HIS 40 17.077 3.045 0.959 309 H ASN 41 H ASN 41 12.955 3.054 3.999 310 HA ASN 41 HA ASN 41 14.458 5.004 5.603 311 1HB ASN 41 2HB ASN 41 13.515 2.293 6.533 312 2HB ASN 41 1HB ASN 41 13.984 3.677 7.514 313 1HD2 ASN 41 1HD2 ASN 41 11.690 2.552 8.154 314 2HD2 ASN 41 2HD2 ASN 41 10.341 3.496 7.635 315 HA PRO 42 HA PRO 42 17.758 2.275 3.908 316 1HB PRO 42 2HB PRO 42 19.593 4.198 3.547 317 2HB PRO 42 1HB PRO 42 18.307 3.904 2.373 318 1HG PRO 42 2HG PRO 42 18.484 6.004 4.502 319 2HG PRO 42 1HG PRO 42 17.942 6.160 2.820 320 1HD PRO 42 2HD PRO 42 16.227 5.934 4.927 321 2HD PRO 42 1HD PRO 42 15.843 5.357 3.294 322 H THR 43 H THR 43 17.663 4.593 6.514 323 HA THR 43 HA THR 43 20.126 4.242 7.715 324 HB THR 43 HB THR 43 19.116 4.968 9.762 325 HG1 THR 43 HG1 THR 43 16.717 4.012 8.616 326 1HG2 THR 43 1HG2 THR 43 17.122 6.371 8.226 327 2HG2 THR 43 2HG2 THR 43 18.679 6.343 7.399 328 3HG2 THR 43 3HG2 THR 43 18.564 6.983 9.038 329 H ALA 44 H ALA 44 17.389 2.098 7.592 330 HA ALA 44 HA ALA 44 18.961 0.067 9.021 331 1HB ALA 44 1HB ALA 44 15.986 0.477 9.272 332 2HB ALA 44 2HB ALA 44 17.189 0.883 10.496 333 3HB ALA 44 3HB ALA 44 16.928 -0.801 10.042 334 H ASN 45 H ASN 45 17.924 0.892 6.115 335 HA ASN 45 HA ASN 45 17.508 -0.196 4.169 336 1HB ASN 45 2HB ASN 45 19.189 -1.898 5.664 337 2HB ASN 45 1HB ASN 45 17.945 -2.933 4.972 338 1HD2 ASN 45 1HD2 ASN 45 17.483 -1.447 2.613 339 2HD2 ASN 45 2HD2 ASN 45 18.877 -1.607 1.606 340 H SER 46 H SER 46 15.314 0.401 5.566 341 HA SER 46 HA SER 46 13.569 -1.910 5.046 342 1HB SER 46 2HB SER 46 14.121 -1.282 7.574 343 2HB SER 46 1HB SER 46 12.846 -0.096 7.300 344 HG SER 46 HG SER 46 11.849 -1.928 8.011 345 H PHE 47 H PHE 47 11.361 -1.378 4.558 346 HA PHE 47 HA PHE 47 10.988 1.402 3.657 347 1HB PHE 47 2HB PHE 47 10.374 -1.174 2.227 348 2HB PHE 47 1HB PHE 47 9.538 0.317 1.820 349 HD1 PHE 47 HD1 PHE 47 12.476 -1.640 1.336 350 HD2 PHE 47 HD2 PHE 47 10.939 2.318 1.152 351 HE1 PHE 47 HE1 PHE 47 14.350 -0.982 -0.121 352 HE2 PHE 47 HE2 PHE 47 12.804 2.984 -0.306 353 HZ PHE 47 HZ PHE 47 14.516 1.332 -0.942 354 H ARG 48 H ARG 48 8.482 1.653 3.063 355 HA ARG 48 HA ARG 48 6.661 0.187 4.690 356 1HB ARG 48 2HB ARG 48 7.626 1.374 6.523 357 2HB ARG 48 1HB ARG 48 7.586 2.893 5.645 358 1HG ARG 48 2HG ARG 48 5.123 2.839 5.715 359 2HG ARG 48 1HG ARG 48 5.210 1.362 6.675 360 1HD ARG 48 2HD ARG 48 6.638 3.850 7.538 361 2HD ARG 48 1HD ARG 48 4.924 3.623 7.887 362 HE ARG 48 HE ARG 48 6.564 1.403 8.684 363 1HH1 ARG 48 2HH1 ARG 48 5.314 4.519 9.637 364 2HH1 ARG 48 1HH1 ARG 48 5.463 4.200 11.332 365 1HH2 ARG 48 1HH2 ARG 48 6.762 0.982 10.914 366 2HH2 ARG 48 2HH2 ARG 48 6.287 2.193 12.057 367 H VAL 49 H VAL 49 4.475 0.953 4.543 368 HA VAL 49 HA VAL 49 4.031 2.795 2.289 369 HB VAL 49 HB VAL 49 1.903 1.464 1.903 370 1HG1 VAL 49 1HG1 VAL 49 2.938 0.101 0.364 371 2HG1 VAL 49 2HG1 VAL 49 4.269 -0.297 1.452 372 3HG1 VAL 49 3HG1 VAL 49 4.203 1.288 0.683 373 1HG2 VAL 49 1HG2 VAL 49 2.261 0.310 4.226 374 2HG2 VAL 49 2HG2 VAL 49 3.246 -0.813 3.287 375 3HG2 VAL 49 3HG2 VAL 49 1.544 -0.586 2.888 376 H VAL 50 H VAL 50 2.853 4.539 2.776 377 HA VAL 50 HA VAL 50 1.014 4.404 5.068 378 HB VAL 50 HB VAL 50 2.671 6.856 4.533 379 1HG1 VAL 50 1HG1 VAL 50 1.174 5.849 6.948 380 2HG1 VAL 50 2HG1 VAL 50 0.693 7.173 5.887 381 3HG1 VAL 50 3HG1 VAL 50 2.134 7.326 6.891 382 1HG2 VAL 50 1HG2 VAL 50 3.367 4.679 6.499 383 2HG2 VAL 50 2HG2 VAL 50 4.259 6.171 6.203 384 3HG2 VAL 50 3HG2 VAL 50 4.180 4.927 4.955 385 H GLY 51 H GLY 51 -0.970 5.098 4.587 386 1HA GLY 51 2HA GLY 51 -1.285 7.129 2.489 387 2HA GLY 51 1HA GLY 51 -2.168 5.618 2.344 388 H ARG 52 H ARG 52 -3.074 8.424 2.639 389 HA ARG 52 HA ARG 52 -4.787 8.007 4.997 390 1HB ARG 52 2HB ARG 52 -4.782 10.421 5.401 391 2HB ARG 52 1HB ARG 52 -3.157 9.757 5.494 392 1HG ARG 52 2HG ARG 52 -2.429 11.090 3.878 393 2HG ARG 52 1HG ARG 52 -3.770 10.651 2.818 394 1HD ARG 52 2HD ARG 52 -5.185 12.304 3.813 395 2HD ARG 52 1HD ARG 52 -4.001 12.632 5.077 396 HE ARG 52 HE ARG 52 -4.008 13.665 2.393 397 1HH1 ARG 52 2HH1 ARG 52 -2.032 12.942 5.178 398 2HH1 ARG 52 1HH1 ARG 52 -0.803 14.087 4.758 399 1HH2 ARG 52 1HH2 ARG 52 -2.392 15.170 1.840 400 2HH2 ARG 52 2HH2 ARG 52 -1.006 15.352 2.864 401 H LYS 53 H LYS 53 -6.911 8.834 4.867 402 HA LYS 53 HA LYS 53 -8.228 8.431 2.460 403 1HB LYS 53 2HB LYS 53 -8.987 9.787 5.022 404 2HB LYS 53 1HB LYS 53 -10.080 9.846 3.646 405 1HG LYS 53 2HG LYS 53 -8.995 7.235 4.622 406 2HG LYS 53 1HG LYS 53 -10.384 7.994 5.403 407 1HD LYS 53 2HD LYS 53 -11.565 8.038 3.261 408 2HD LYS 53 1HD LYS 53 -10.176 7.286 2.478 409 1HE LYS 53 2HE LYS 53 -11.954 5.666 2.996 410 2HE LYS 53 1HE LYS 53 -10.444 5.298 3.827 411 1HZ LYS 53 1HZ LYS 53 -12.806 5.363 5.039 412 2HZ LYS 53 2HZ LYS 53 -12.323 6.965 5.286 413 3HZ LYS 53 3HZ LYS 53 -11.349 5.696 5.834 414 H MET 54 H MET 54 -9.448 9.954 1.153 415 HA MET 54 HA MET 54 -7.906 12.399 0.688 416 1HB MET 54 2HB MET 54 -10.046 11.382 -1.152 417 2HB MET 54 1HB MET 54 -8.621 12.339 -1.534 418 1HG MET 54 2HG MET 54 -7.306 10.238 -0.806 419 2HG MET 54 1HG MET 54 -8.843 9.403 -1.028 420 1HE MET 54 1HE MET 54 -6.698 12.082 -2.451 421 2HE MET 54 2HE MET 54 -6.832 11.950 -4.204 422 3HE MET 54 3HE MET 54 -5.698 10.922 -3.327 423 H GLN 55 H GLN 55 -9.481 12.543 2.894 424 HA GLN 55 HA GLN 55 -11.578 14.417 2.039 425 1HB GLN 55 2HB GLN 55 -12.666 13.587 4.326 426 2HB GLN 55 1HB GLN 55 -12.999 12.797 2.792 427 1HG GLN 55 2HG GLN 55 -11.694 10.964 3.299 428 2HG GLN 55 1HG GLN 55 -10.739 11.844 4.491 429 1HE2 GLN 55 1HE2 GLN 55 -12.287 9.294 4.611 430 2HE2 GLN 55 2HE2 GLN 55 -13.334 9.476 5.972 431 HA PRO 56 HA PRO 56 -9.998 17.481 4.760 432 1HB PRO 56 2HB PRO 56 -12.191 18.043 6.383 433 2HB PRO 56 1HB PRO 56 -11.873 18.762 4.802 434 1HG PRO 56 2HG PRO 56 -13.666 16.489 5.526 435 2HG PRO 56 1HG PRO 56 -13.912 17.781 4.337 436 1HD PRO 56 2HD PRO 56 -13.219 15.311 3.577 437 2HD PRO 56 1HD PRO 56 -12.571 16.742 2.748 438 H ASP 57 H ASP 57 -11.541 14.685 6.144 439 HA ASP 57 HA ASP 57 -10.787 15.126 8.843 440 1HB ASP 57 2HB ASP 57 -11.523 12.618 7.329 441 2HB ASP 57 1HB ASP 57 -11.193 12.636 9.058 442 H GLN 58 H GLN 58 -9.302 13.333 6.173 443 HA GLN 58 HA GLN 58 -7.182 12.592 5.827 444 1HB GLN 58 2HB GLN 58 -6.885 14.923 7.548 445 2HB GLN 58 1HB GLN 58 -5.578 13.766 7.765 446 1HG GLN 58 2HG GLN 58 -4.611 14.496 5.923 447 2HG GLN 58 1HG GLN 58 -6.034 14.053 4.983 448 1HE2 GLN 58 1HE2 GLN 58 -6.903 15.643 3.879 449 2HE2 GLN 58 2HE2 GLN 58 -6.834 17.323 4.276 450 H GLN 59 H GLN 59 -7.807 10.492 6.511 451 HA GLN 59 HA GLN 59 -6.722 9.737 9.147 452 1HB GLN 59 2HB GLN 59 -9.030 9.358 9.344 453 2HB GLN 59 1HB GLN 59 -9.174 8.791 7.688 454 1HG GLN 59 2HG GLN 59 -8.451 6.681 8.199 455 2HG GLN 59 1HG GLN 59 -7.524 7.217 9.598 456 1HE2 GLN 59 1HE2 GLN 59 -10.613 6.225 8.412 457 2HE2 GLN 59 2HE2 GLN 59 -11.401 6.101 9.944 458 H VAL 60 H VAL 60 -5.102 8.287 9.128 459 HA VAL 60 HA VAL 60 -4.067 7.343 6.650 460 HB VAL 60 HB VAL 60 -2.307 6.322 7.881 461 1HG1 VAL 60 1HG1 VAL 60 -3.244 8.969 8.863 462 2HG1 VAL 60 2HG1 VAL 60 -1.820 8.555 7.908 463 3HG1 VAL 60 3HG1 VAL 60 -1.848 8.221 9.640 464 1HG2 VAL 60 1HG2 VAL 60 -3.015 5.084 9.633 465 2HG2 VAL 60 2HG2 VAL 60 -4.300 6.218 10.055 466 3HG2 VAL 60 3HG2 VAL 60 -2.638 6.546 10.544 467 H VAL 61 H VAL 61 -4.722 5.635 5.537 468 HA VAL 61 HA VAL 61 -6.393 3.640 6.852 469 HB VAL 61 HB VAL 61 -7.159 2.978 4.727 470 1HG1 VAL 61 1HG1 VAL 61 -7.432 5.548 5.561 471 2HG1 VAL 61 2HG1 VAL 61 -8.294 4.841 4.194 472 3HG1 VAL 61 3HG1 VAL 61 -6.826 5.781 3.920 473 1HG2 VAL 61 1HG2 VAL 61 -6.134 3.651 2.613 474 2HG2 VAL 61 2HG2 VAL 61 -4.994 2.759 3.620 475 3HG2 VAL 61 3HG2 VAL 61 -4.871 4.513 3.493 476 H ILE 62 H ILE 62 -3.197 4.022 5.636 477 HA ILE 62 HA ILE 62 -2.629 1.228 6.298 478 HB ILE 62 HB ILE 62 -2.829 1.353 3.833 479 1HG1 ILE 62 2HG1 ILE 62 0.086 1.000 4.432 480 2HG1 ILE 62 1HG1 ILE 62 -1.091 -0.067 5.190 481 1HG2 ILE 62 1HG2 ILE 62 -1.341 2.642 2.499 482 2HG2 ILE 62 2HG2 ILE 62 -0.418 3.154 3.912 483 3HG2 ILE 62 3HG2 ILE 62 -2.067 3.736 3.676 484 1HD1 ILE 62 1HD1 ILE 62 -1.925 -0.307 2.691 485 2HD1 ILE 62 2HD1 ILE 62 -0.614 -1.289 3.343 486 3HD1 ILE 62 3HD1 ILE 62 -0.250 0.130 2.361 487 H ASN 63 H ASN 63 -0.695 0.916 7.313 488 HA ASN 63 HA ASN 63 1.412 2.838 7.256 489 1HB ASN 63 2HB ASN 63 1.284 3.507 9.628 490 2HB ASN 63 1HB ASN 63 -0.124 4.044 8.722 491 1HD2 ASN 63 1HD2 ASN 63 -2.116 3.076 9.092 492 2HD2 ASN 63 2HD2 ASN 63 -2.425 2.129 10.504 493 H CYS 64 H CYS 64 2.099 0.591 6.568 494 HA CYS 64 HA CYS 64 3.208 -0.793 8.911 495 1HB CYS 64 2HB CYS 64 2.812 -2.973 7.783 496 2HB CYS 64 1HB CYS 64 1.321 -2.140 8.212 497 HG CYS 64 HG CYS 64 2.180 -2.902 5.416 498 H ALA 65 H ALA 65 5.301 -1.414 8.716 499 HA ALA 65 HA ALA 65 6.775 -0.415 6.453 500 1HB ALA 65 1HB ALA 65 8.640 -1.715 7.910 501 2HB ALA 65 2HB ALA 65 7.416 -1.409 9.145 502 3HB ALA 65 3HB ALA 65 8.104 -0.064 8.234 503 H ILE 66 H ILE 66 7.786 -1.553 4.861 504 HA ILE 66 HA ILE 66 7.291 -4.457 4.827 505 HB ILE 66 HB ILE 66 7.793 -4.039 2.251 506 1HG1 ILE 66 2HG1 ILE 66 6.273 -1.527 2.868 507 2HG1 ILE 66 1HG1 ILE 66 8.035 -1.517 2.831 508 1HG2 ILE 66 1HG2 ILE 66 5.764 -5.025 3.368 509 2HG2 ILE 66 2HG2 ILE 66 5.464 -4.183 1.848 510 3HG2 ILE 66 3HG2 ILE 66 5.079 -3.401 3.381 511 1HD1 ILE 66 1HD1 ILE 66 7.854 -1.159 0.650 512 2HD1 ILE 66 2HD1 ILE 66 6.134 -1.554 0.654 513 3HD1 ILE 66 3HD1 ILE 66 7.337 -2.842 0.515 514 H VAL 67 H VAL 67 8.889 -5.664 3.444 515 HA VAL 67 HA VAL 67 11.543 -4.547 3.267 516 HB VAL 67 HB VAL 67 12.567 -6.325 4.689 517 1HG1 VAL 67 1HG1 VAL 67 12.214 -4.016 5.501 518 2HG1 VAL 67 2HG1 VAL 67 12.164 -5.213 6.794 519 3HG1 VAL 67 3HG1 VAL 67 10.664 -4.518 6.179 520 1HG2 VAL 67 1HG2 VAL 67 11.160 -8.052 5.075 521 2HG2 VAL 67 2HG2 VAL 67 9.723 -7.032 5.023 522 3HG2 VAL 67 3HG2 VAL 67 10.711 -7.088 6.482 523 H ARG 68 H ARG 68 13.043 -6.769 2.923 524 HA ARG 68 HA ARG 68 12.354 -7.648 0.357 525 1HB ARG 68 2HB ARG 68 14.647 -7.688 1.035 526 2HB ARG 68 1HB ARG 68 14.295 -8.729 2.405 527 1HG ARG 68 2HG ARG 68 13.471 -10.344 0.449 528 2HG ARG 68 1HG ARG 68 14.657 -9.403 -0.451 529 1HD ARG 68 2HD ARG 68 16.178 -9.889 1.615 530 2HD ARG 68 1HD ARG 68 15.047 -11.214 1.887 531 HE ARG 68 HE ARG 68 16.023 -11.133 -0.801 532 1HH1 ARG 68 2HH1 ARG 68 16.767 -12.191 2.440 533 2HH1 ARG 68 1HH1 ARG 68 17.830 -13.454 1.918 534 1HH2 ARG 68 1HH2 ARG 68 17.420 -12.794 -1.489 535 2HH2 ARG 68 2HH2 ARG 68 18.202 -13.796 -0.312 536 H GLY 69 H GLY 69 10.143 -8.416 0.578 537 1HA GLY 69 2HA GLY 69 9.962 -11.217 0.867 538 2HA GLY 69 1HA GLY 69 9.347 -10.454 2.323 539 H VAL 70 H VAL 70 8.231 -8.128 0.877 540 HA VAL 70 HA VAL 70 5.754 -9.408 0.129 541 HB VAL 70 HB VAL 70 6.595 -6.579 0.613 542 1HG1 VAL 70 1HG1 VAL 70 4.048 -6.161 -0.004 543 2HG1 VAL 70 2HG1 VAL 70 4.385 -7.463 -1.145 544 3HG1 VAL 70 3HG1 VAL 70 5.344 -5.986 -1.189 545 1HG2 VAL 70 1HG2 VAL 70 5.238 -6.712 2.413 546 2HG2 VAL 70 2HG2 VAL 70 5.512 -8.442 2.208 547 3HG2 VAL 70 3HG2 VAL 70 4.042 -7.699 1.568 548 H LYS 71 H LYS 71 4.944 -9.684 -1.848 549 HA LYS 71 HA LYS 71 6.432 -8.558 -4.128 550 1HB LYS 71 2HB LYS 71 6.690 -11.053 -3.768 551 2HB LYS 71 1HB LYS 71 4.977 -11.202 -4.134 552 1HG LYS 71 2HG LYS 71 6.365 -9.666 -6.152 553 2HG LYS 71 1HG LYS 71 7.079 -11.265 -5.937 554 1HD LYS 71 2HD LYS 71 5.339 -12.278 -6.908 555 2HD LYS 71 1HD LYS 71 4.173 -11.345 -5.967 556 1HE LYS 71 2HE LYS 71 3.901 -10.926 -8.351 557 2HE LYS 71 1HE LYS 71 4.427 -9.467 -7.511 558 1HZ LYS 71 1HZ LYS 71 5.829 -11.082 -9.484 559 2HZ LYS 71 2HZ LYS 71 6.773 -10.468 -8.222 560 3HZ LYS 71 3HZ LYS 71 5.890 -9.413 -9.207 561 H TYR 72 H TYR 72 5.195 -6.948 -4.860 562 HA TYR 72 HA TYR 72 2.460 -6.630 -4.569 563 1HB TYR 72 2HB TYR 72 4.584 -5.413 -6.180 564 2HB TYR 72 1HB TYR 72 3.002 -5.322 -6.940 565 HD1 TYR 72 HD1 TYR 72 3.525 -5.295 -3.297 566 HD2 TYR 72 HD2 TYR 72 2.738 -2.947 -6.757 567 HE1 TYR 72 HE1 TYR 72 2.975 -3.381 -1.862 568 HE2 TYR 72 HE2 TYR 72 2.182 -1.020 -5.334 569 HH TYR 72 HH TYR 72 2.932 -0.893 -2.054 570 H ASN 73 H ASN 73 1.041 -8.165 -5.130 571 HA ASN 73 HA ASN 73 1.306 -9.532 -7.697 572 1HB ASN 73 2HB ASN 73 0.541 -10.443 -5.232 573 2HB ASN 73 1HB ASN 73 -1.017 -10.177 -6.008 574 1HD2 ASN 73 1HD2 ASN 73 -1.398 -12.411 -6.000 575 2HD2 ASN 73 2HD2 ASN 73 -0.626 -13.461 -7.135 576 H GLN 74 H GLN 74 0.677 -8.057 -9.224 577 HA GLN 74 HA GLN 74 -1.437 -6.252 -9.038 578 1HB GLN 74 2HB GLN 74 0.367 -6.238 -10.771 579 2HB GLN 74 1HB GLN 74 -0.446 -7.581 -11.563 580 1HG GLN 74 2HG GLN 74 -2.354 -5.526 -11.141 581 2HG GLN 74 1HG GLN 74 -0.913 -4.804 -11.853 582 1HE2 GLN 74 1HE2 GLN 74 -3.610 -6.875 -12.342 583 2HE2 GLN 74 2HE2 GLN 74 -3.359 -7.170 -14.025 584 H ALA 75 H ALA 75 -3.214 -7.307 -8.101 585 HA ALA 75 HA ALA 75 -4.434 -9.639 -9.045 586 1HB ALA 75 1HB ALA 75 -5.261 -9.082 -6.999 587 2HB ALA 75 2HB ALA 75 -6.538 -8.392 -7.999 588 3HB ALA 75 3HB ALA 75 -5.270 -7.353 -7.349 589 H THR 76 H THR 76 -4.861 -6.266 -9.959 590 HA THR 76 HA THR 76 -6.030 -7.069 -12.486 591 HB THR 76 HB THR 76 -8.081 -5.941 -12.279 592 HG1 THR 76 HG1 THR 76 -8.040 -4.113 -11.284 593 1HG2 THR 76 1HG2 THR 76 -8.103 -8.003 -10.943 594 2HG2 THR 76 2HG2 THR 76 -9.208 -6.773 -10.329 595 3HG2 THR 76 3HG2 THR 76 -7.667 -7.057 -9.520 596 HA PRO 77 HA PRO 77 -3.932 -3.675 -14.349 597 1HB PRO 77 2HB PRO 77 -6.189 -2.144 -15.192 598 2HB PRO 77 1HB PRO 77 -5.214 -3.251 -16.159 599 1HG PRO 77 2HG PRO 77 -7.810 -3.708 -14.811 600 2HG PRO 77 1HG PRO 77 -7.141 -4.477 -16.261 601 1HD PRO 77 2HD PRO 77 -7.291 -5.787 -13.928 602 2HD PRO 77 1HD PRO 77 -5.917 -6.018 -15.029 603 H ASN 78 H ASN 78 -6.586 -2.973 -12.165 604 HA ASN 78 HA ASN 78 -5.110 -0.608 -11.230 605 1HB ASN 78 2HB ASN 78 -7.260 0.508 -10.772 606 2HB ASN 78 1HB ASN 78 -7.063 0.154 -12.485 607 1HD2 ASN 78 1HD2 ASN 78 -9.098 -0.061 -9.863 608 2HD2 ASN 78 2HD2 ASN 78 -10.229 -1.205 -10.492 609 H PHE 79 H PHE 79 -4.443 -2.764 -9.967 610 HA PHE 79 HA PHE 79 -5.450 -2.409 -7.325 611 1HB PHE 79 2HB PHE 79 -7.068 -4.036 -8.693 612 2HB PHE 79 1HB PHE 79 -5.856 -5.220 -8.213 613 HD1 PHE 79 HD1 PHE 79 -8.683 -3.266 -7.184 614 HD2 PHE 79 HD2 PHE 79 -5.368 -5.527 -5.763 615 HE1 PHE 79 HE1 PHE 79 -9.765 -3.461 -4.983 616 HE2 PHE 79 HE2 PHE 79 -6.447 -5.725 -3.555 617 HZ PHE 79 HZ PHE 79 -8.647 -4.691 -3.167 618 H HIS 80 H HIS 80 -3.598 -2.434 -6.236 619 HA HIS 80 HA HIS 80 -1.580 -4.455 -6.939 620 1HB HIS 80 2HB HIS 80 -1.363 -1.623 -6.132 621 2HB HIS 80 1HB HIS 80 -0.167 -2.715 -5.444 622 HD1 HIS 80 HD1 HIS 80 -0.540 -0.574 -8.217 623 HD2 HIS 80 HD2 HIS 80 0.945 -4.424 -7.739 624 HE1 HIS 80 HE1 HIS 80 0.892 -0.997 -10.238 625 HE2 HIS 80 HE2 HIS 80 1.717 -3.360 -9.966 626 H GLN 81 H GLN 81 -1.974 -6.138 -5.656 627 HA GLN 81 HA GLN 81 -2.385 -5.657 -2.785 628 1HB GLN 81 2HB GLN 81 -4.210 -6.887 -3.595 629 2HB GLN 81 1HB GLN 81 -3.204 -7.864 -4.650 630 1HG GLN 81 2HG GLN 81 -2.214 -8.839 -2.501 631 2HG GLN 81 1HG GLN 81 -3.587 -8.096 -1.687 632 1HE2 GLN 81 1HE2 GLN 81 -5.450 -8.485 -3.806 633 2HE2 GLN 81 2HE2 GLN 81 -5.803 -10.172 -3.878 634 H TRP 82 H TRP 82 -1.332 -7.075 -1.275 635 HA TRP 82 HA TRP 82 0.836 -8.734 -2.194 636 1HB TRP 82 2HB TRP 82 2.589 -7.560 -0.925 637 2HB TRP 82 1HB TRP 82 1.992 -6.613 -2.271 638 HD1 TRP 82 HD1 TRP 82 2.280 -6.611 1.500 639 HE1 TRP 82 HE1 TRP 82 1.552 -4.316 2.405 640 HE3 TRP 82 HE3 TRP 82 0.324 -4.629 -2.789 641 HZ2 TRP 82 HZ2 TRP 82 0.315 -1.975 1.434 642 HZ3 TRP 82 HZ3 TRP 82 -0.612 -2.354 -2.713 643 HH2 TRP 82 HH2 TRP 82 -0.617 -1.056 -0.645 644 H ARG 83 H ARG 83 1.768 -10.024 -0.608 645 HA ARG 83 HA ARG 83 0.275 -10.131 1.929 646 1HB ARG 83 2HB ARG 83 -0.148 -12.063 0.424 647 2HB ARG 83 1HB ARG 83 1.574 -12.420 0.431 648 1HG ARG 83 2HG ARG 83 1.539 -13.243 2.559 649 2HG ARG 83 1HG ARG 83 0.160 -12.251 3.039 650 1HD ARG 83 2HD ARG 83 -1.047 -14.119 2.817 651 2HD ARG 83 1HD ARG 83 -0.906 -13.848 1.081 652 HE ARG 83 HE ARG 83 0.424 -15.874 2.645 653 1HH1 ARG 83 2HH1 ARG 83 0.430 -14.066 -0.341 654 2HH1 ARG 83 1HH1 ARG 83 1.358 -15.248 -1.200 655 1HH2 ARG 83 1HH2 ARG 83 1.644 -17.430 1.515 656 2HH2 ARG 83 2HH2 ARG 83 2.045 -17.158 -0.148 657 H ASP 84 H ASP 84 1.531 -9.349 3.504 658 HA ASP 84 HA ASP 84 4.419 -9.593 3.276 659 1HB ASP 84 2HB ASP 84 3.792 -7.404 3.817 660 2HB ASP 84 1HB ASP 84 2.596 -7.927 4.982 661 H ALA 85 H ALA 85 2.774 -9.513 6.383 662 HA ALA 85 HA ALA 85 4.340 -11.749 7.291 663 1HB ALA 85 1HB ALA 85 2.805 -11.327 9.390 664 2HB ALA 85 2HB ALA 85 2.470 -9.810 8.554 665 3HB ALA 85 3HB ALA 85 4.127 -10.232 8.989 666 H ARG 86 H ARG 86 0.844 -11.158 7.539 667 HA ARG 86 HA ARG 86 0.302 -13.843 6.543 668 1HB ARG 86 2HB ARG 86 0.561 -14.178 8.947 669 2HB ARG 86 1HB ARG 86 -0.620 -12.914 9.267 670 1HG ARG 86 2HG ARG 86 -2.342 -14.298 8.970 671 2HG ARG 86 1HG ARG 86 -1.646 -14.987 7.502 672 1HD ARG 86 2HD ARG 86 -1.388 -16.847 8.720 673 2HD ARG 86 1HD ARG 86 -0.013 -16.011 9.438 674 HE ARG 86 HE ARG 86 -1.205 -15.771 11.386 675 1HH1 ARG 86 2HH1 ARG 86 -3.359 -16.805 8.841 676 2HH1 ARG 86 1HH1 ARG 86 -4.679 -17.119 9.916 677 1HH2 ARG 86 1HH2 ARG 86 -2.941 -16.183 12.801 678 2HH2 ARG 86 2HH2 ARG 86 -4.443 -16.764 12.164 679 H GLN 87 H GLN 87 -0.458 -10.618 6.631 680 HA GLN 87 HA GLN 87 -3.273 -11.079 5.954 681 1HB GLN 87 2HB GLN 87 -1.849 -8.494 6.620 682 2HB GLN 87 1HB GLN 87 -3.565 -8.657 6.277 683 1HG GLN 87 2HG GLN 87 -3.866 -10.012 8.258 684 2HG GLN 87 1HG GLN 87 -2.134 -9.956 8.584 685 1HE2 GLN 87 1HE2 GLN 87 -1.449 -7.415 8.257 686 2HE2 GLN 87 2HE2 GLN 87 -2.307 -6.382 9.343 687 H VAL 88 H VAL 88 -3.979 -9.203 4.319 688 HA VAL 88 HA VAL 88 -2.011 -9.049 2.152 689 HB VAL 88 HB VAL 88 -4.845 -9.620 1.417 690 1HG1 VAL 88 1HG1 VAL 88 -2.816 -8.998 -0.109 691 2HG1 VAL 88 2HG1 VAL 88 -3.975 -10.227 -0.616 692 3HG1 VAL 88 3HG1 VAL 88 -2.422 -10.709 0.068 693 1HG2 VAL 88 1HG2 VAL 88 -2.852 -11.776 2.118 694 2HG2 VAL 88 2HG2 VAL 88 -4.467 -12.018 1.448 695 3HG2 VAL 88 3HG2 VAL 88 -4.275 -11.356 3.072 696 H TRP 89 H TRP 89 -1.753 -6.984 1.695 697 HA TRP 89 HA TRP 89 -3.897 -5.096 2.257 698 1HB TRP 89 2HB TRP 89 -0.981 -4.754 1.594 699 2HB TRP 89 1HB TRP 89 -2.087 -3.394 1.737 700 HD1 TRP 89 HD1 TRP 89 -0.507 -6.190 3.871 701 HE1 TRP 89 HE1 TRP 89 -0.559 -5.448 6.336 702 HE3 TRP 89 HE3 TRP 89 -3.204 -1.875 3.367 703 HZ2 TRP 89 HZ2 TRP 89 -1.603 -3.315 7.864 704 HZ3 TRP 89 HZ3 TRP 89 -3.683 -0.542 5.378 705 HH2 TRP 89 HH2 TRP 89 -2.901 -1.248 7.579 706 H GLY 90 H GLY 90 -5.355 -5.162 0.618 707 1HA GLY 90 2HA GLY 90 -4.420 -5.116 -2.146 708 2HA GLY 90 1HA GLY 90 -6.070 -5.349 -1.619 709 H LEU 91 H LEU 91 -4.077 -3.280 -3.167 710 HA LEU 91 HA LEU 91 -5.465 -0.866 -2.235 711 1HB LEU 91 2HB LEU 91 -2.849 -1.403 -3.515 712 2HB LEU 91 1HB LEU 91 -3.646 0.091 -3.962 713 HG LEU 91 HG LEU 91 -1.982 0.261 -2.087 714 1HD1 LEU 91 1HD1 LEU 91 -3.223 1.885 -0.929 715 2HD1 LEU 91 2HD1 LEU 91 -4.750 1.064 -1.250 716 3HD1 LEU 91 3HD1 LEU 91 -3.883 1.859 -2.563 717 1HD2 LEU 91 1HD2 LEU 91 -2.622 -1.875 -1.003 718 2HD2 LEU 91 2HD2 LEU 91 -4.133 -1.122 -0.498 719 3HD2 LEU 91 3HD2 LEU 91 -2.595 -0.501 0.102 720 H ASN 92 H ASN 92 -7.305 -0.498 -3.329 721 HA ASN 92 HA ASN 92 -7.429 -1.177 -6.172 722 1HB ASN 92 2HB ASN 92 -9.311 -1.607 -4.393 723 2HB ASN 92 1HB ASN 92 -9.709 0.082 -4.692 724 1HD2 ASN 92 1HD2 ASN 92 -8.958 0.066 -7.486 725 2HD2 ASN 92 2HD2 ASN 92 -10.168 -0.851 -8.311 726 H PHE 93 H PHE 93 -6.569 0.284 -7.454 727 HA PHE 93 HA PHE 93 -6.469 3.071 -6.804 728 1HB PHE 93 2HB PHE 93 -5.755 1.681 -9.383 729 2HB PHE 93 1HB PHE 93 -5.275 3.297 -8.893 730 HD1 PHE 93 HD1 PHE 93 -3.721 3.575 -6.944 731 HD2 PHE 93 HD2 PHE 93 -4.563 -0.214 -8.684 732 HE1 PHE 93 HE1 PHE 93 -1.734 2.639 -5.856 733 HE2 PHE 93 HE2 PHE 93 -2.567 -1.155 -7.606 734 HZ PHE 93 HZ PHE 93 -1.149 0.273 -6.191 735 H GLY 94 H GLY 94 -7.164 4.760 -8.283 736 1HA GLY 94 2HA GLY 94 -9.909 4.230 -9.171 737 2HA GLY 94 1HA GLY 94 -9.203 5.813 -8.877 738 H SER 95 H SER 95 -6.779 5.108 -10.427 739 HA SER 95 HA SER 95 -7.886 4.960 -13.141 740 1HB SER 95 2HB SER 95 -6.352 7.203 -11.924 741 2HB SER 95 1HB SER 95 -5.971 6.773 -13.591 742 HG SER 95 HG SER 95 -7.699 8.377 -13.239 743 H LYS 96 H LYS 96 -6.187 4.566 -14.792 744 HA LYS 96 HA LYS 96 -4.576 2.375 -14.059 745 1HB LYS 96 2HB LYS 96 -4.517 4.103 -16.538 746 2HB LYS 96 1HB LYS 96 -3.632 2.595 -16.358 747 1HG LYS 96 2HG LYS 96 -5.675 1.351 -16.175 748 2HG LYS 96 1HG LYS 96 -6.625 2.838 -16.159 749 1HD LYS 96 2HD LYS 96 -4.915 1.859 -18.445 750 2HD LYS 96 1HD LYS 96 -6.675 1.765 -18.359 751 1HE LYS 96 2HE LYS 96 -4.951 4.224 -18.534 752 2HE LYS 96 1HE LYS 96 -6.156 3.659 -19.690 753 1HZ LYS 96 1HZ LYS 96 -7.407 5.188 -18.629 754 2HZ LYS 96 2HZ LYS 96 -6.514 5.113 -17.195 755 3HZ LYS 96 3HZ LYS 96 -7.668 3.924 -17.535 756 H GLU 97 H GLU 97 -3.911 5.799 -14.369 757 HA GLU 97 HA GLU 97 -1.094 5.649 -14.370 758 1HB GLU 97 2HB GLU 97 -2.795 7.896 -13.277 759 2HB GLU 97 1HB GLU 97 -1.127 8.006 -13.825 760 1HG GLU 97 2HG GLU 97 -1.710 8.165 -15.979 761 2HG GLU 97 1HG GLU 97 -2.997 6.970 -15.826 762 H ASP 98 H ASP 98 -3.369 6.296 -11.697 763 HA ASP 98 HA ASP 98 -1.590 6.526 -9.616 764 1HB ASP 98 2HB ASP 98 -4.325 5.244 -9.677 765 2HB ASP 98 1HB ASP 98 -3.431 5.522 -8.185 766 H ALA 99 H ALA 99 -3.244 3.498 -10.503 767 HA ALA 99 HA ALA 99 -1.928 1.727 -8.903 768 1HB ALA 99 1HB ALA 99 -2.643 0.018 -10.340 769 2HB ALA 99 2HB ALA 99 -2.551 1.058 -11.762 770 3HB ALA 99 3HB ALA 99 -3.819 1.314 -10.564 771 H ALA 100 H ALA 100 -0.786 3.069 -11.972 772 HA ALA 100 HA ALA 100 1.536 1.412 -12.115 773 1HB ALA 100 1HB ALA 100 2.189 3.449 -13.720 774 2HB ALA 100 2HB ALA 100 0.446 3.704 -13.628 775 3HB ALA 100 3HB ALA 100 1.083 2.162 -14.201 776 H GLN 101 H GLN 101 0.797 4.484 -10.638 777 HA GLN 101 HA GLN 101 3.521 5.269 -10.245 778 1HB GLN 101 2HB GLN 101 1.515 6.818 -10.351 779 2HB GLN 101 1HB GLN 101 1.118 6.275 -8.726 780 1HG GLN 101 2HG GLN 101 2.291 8.361 -8.605 781 2HG GLN 101 1HG GLN 101 3.312 7.082 -7.951 782 1HE2 GLN 101 1HE2 GLN 101 4.981 6.222 -9.354 783 2HE2 GLN 101 2HE2 GLN 101 5.721 7.260 -10.522 784 H PHE 102 H PHE 102 0.991 3.970 -8.106 785 HA PHE 102 HA PHE 102 2.395 3.914 -5.736 786 1HB PHE 102 2HB PHE 102 -0.050 3.287 -6.194 787 2HB PHE 102 1HB PHE 102 0.543 1.675 -6.532 788 HD1 PHE 102 HD1 PHE 102 0.001 0.265 -4.766 789 HD2 PHE 102 HD2 PHE 102 1.419 4.201 -3.951 790 HE1 PHE 102 HE1 PHE 102 -0.036 -0.217 -2.357 791 HE2 PHE 102 HE2 PHE 102 1.385 3.718 -1.543 792 HZ PHE 102 HZ PHE 102 0.657 1.506 -0.742 793 H ALA 103 H ALA 103 2.200 1.282 -8.137 794 HA ALA 103 HA ALA 103 3.998 -0.443 -6.837 795 1HB ALA 103 1HB ALA 103 2.757 -0.260 -9.485 796 2HB ALA 103 2HB ALA 103 2.986 -1.656 -8.430 797 3HB ALA 103 3HB ALA 103 4.309 -1.096 -9.454 798 H ALA 104 H ALA 104 4.466 2.253 -8.998 799 HA ALA 104 HA ALA 104 6.997 1.927 -9.967 800 1HB ALA 104 1HB ALA 104 6.153 4.560 -8.797 801 2HB ALA 104 2HB ALA 104 5.384 3.902 -10.241 802 3HB ALA 104 3HB ALA 104 7.114 4.246 -10.243 803 H GLY 105 H GLY 105 6.358 3.767 -6.986 804 1HA GLY 105 2HA GLY 105 9.052 3.707 -6.112 805 2HA GLY 105 1HA GLY 105 7.661 4.088 -5.110 806 H MET 106 H MET 106 6.263 1.691 -5.393 807 HA MET 106 HA MET 106 7.248 0.172 -3.313 808 1HB MET 106 2HB MET 106 4.951 -0.011 -4.107 809 2HB MET 106 1HB MET 106 5.513 -0.714 -5.621 810 1HG MET 106 2HG MET 106 4.761 -2.504 -4.311 811 2HG MET 106 1HG MET 106 6.516 -2.564 -4.258 812 1HE MET 106 1HE MET 106 6.219 -4.171 -2.690 813 2HE MET 106 2HE MET 106 4.920 -4.123 -1.495 814 3HE MET 106 3HE MET 106 6.580 -3.779 -1.008 815 H ALA 107 H ALA 107 7.371 -0.666 -6.761 816 HA ALA 107 HA ALA 107 8.891 -2.934 -6.688 817 1HB ALA 107 1HB ALA 107 9.091 -0.699 -8.709 818 2HB ALA 107 2HB ALA 107 7.967 -2.057 -8.758 819 3HB ALA 107 3HB ALA 107 9.698 -2.340 -8.939 820 H SER 108 H SER 108 9.947 0.408 -6.411 821 HA SER 108 HA SER 108 12.734 -0.086 -6.468 822 1HB SER 108 2HB SER 108 11.389 2.167 -6.620 823 2HB SER 108 1HB SER 108 11.559 2.162 -4.864 824 HG SER 108 HG SER 108 13.300 3.249 -5.750 825 H ALA 109 H ALA 109 10.321 -0.046 -3.894 826 HA ALA 109 HA ALA 109 12.105 -0.256 -1.711 827 1HB ALA 109 1HB ALA 109 9.216 -0.562 -2.135 828 2HB ALA 109 2HB ALA 109 10.094 0.244 -0.837 829 3HB ALA 109 3HB ALA 109 9.872 -1.507 -0.796 830 H LEU 110 H LEU 110 10.216 -2.737 -3.411 831 HA LEU 110 HA LEU 110 11.311 -4.927 -2.007 832 1HB LEU 110 2HB LEU 110 10.235 -5.085 -4.810 833 2HB LEU 110 1HB LEU 110 10.182 -6.306 -3.553 834 HG LEU 110 HG LEU 110 8.660 -3.710 -3.370 835 1HD1 LEU 110 1HD1 LEU 110 7.311 -4.471 -4.961 836 2HD1 LEU 110 2HD1 LEU 110 6.838 -5.742 -3.835 837 3HD1 LEU 110 3HD1 LEU 110 8.123 -6.035 -5.005 838 1HD2 LEU 110 1HD2 LEU 110 7.342 -5.631 -1.933 839 2HD2 LEU 110 2HD2 LEU 110 8.444 -4.426 -1.267 840 3HD2 LEU 110 3HD2 LEU 110 9.035 -6.042 -1.658 841 H GLU 111 H GLU 111 12.556 -2.966 -4.509 842 HA GLU 111 HA GLU 111 14.482 -4.982 -5.376 843 1HB GLU 111 2HB GLU 111 13.566 -2.343 -6.406 844 2HB GLU 111 1HB GLU 111 15.171 -2.907 -6.843 845 1HG GLU 111 2HG GLU 111 13.993 -5.077 -7.515 846 2HG GLU 111 1HG GLU 111 12.518 -4.117 -7.473 847 H ALA 112 H ALA 112 14.242 -2.262 -3.306 848 HA ALA 112 HA ALA 112 17.150 -1.936 -3.176 849 1HB ALA 112 1HB ALA 112 16.273 -0.148 -1.393 850 2HB ALA 112 2HB ALA 112 14.826 -0.274 -2.394 851 3HB ALA 112 3HB ALA 112 16.363 0.196 -3.120 852 H LEU 113 H LEU 113 14.810 -3.817 -1.887 853 HA LEU 113 HA LEU 113 16.155 -4.033 0.715 854 1HB LEU 113 2HB LEU 113 13.407 -3.903 -0.078 855 2HB LEU 113 1HB LEU 113 13.700 -5.430 0.704 856 HG LEU 113 HG LEU 113 12.904 -3.421 2.126 857 1HD1 LEU 113 1HD1 LEU 113 13.452 -4.830 3.750 858 2HD1 LEU 113 2HD1 LEU 113 15.128 -4.296 3.661 859 3HD1 LEU 113 3HD1 LEU 113 14.582 -5.649 2.675 860 1HD2 LEU 113 1HD2 LEU 113 15.141 -2.231 1.045 861 2HD2 LEU 113 2HD2 LEU 113 15.669 -2.682 2.664 862 3HD2 LEU 113 3HD2 LEU 113 14.243 -1.667 2.453 863 H GLU 114 H GLU 114 15.196 -5.675 -2.195 864 HA GLU 114 HA GLU 114 15.957 -8.289 -1.185 865 1HB GLU 114 2HB GLU 114 14.862 -7.295 -3.806 866 2HB GLU 114 1HB GLU 114 15.492 -8.927 -3.641 867 1HG GLU 114 2HG GLU 114 13.802 -9.573 -2.195 868 2HG GLU 114 1HG GLU 114 13.399 -7.910 -1.765 869 H GLY 115 HN GLY 115 17.193 -5.756 -3.280 870 1HA GLY 115 2HA GLY 115 19.260 -5.436 -4.227 871 2HA GLY 115 1HA GLY 115 19.874 -6.473 -2.950 Start of MODEL 8 1 1H MET 1 1H MET 1 15.191 9.777 13.945 2 2H MET 1 2H MET 1 15.434 9.115 12.380 3 3H MET 1 3H MET 1 13.883 9.048 13.110 4 HA MET 1 HA MET 1 14.024 11.549 13.179 5 1HB MET 1 2HB MET 1 16.131 10.840 11.126 6 2HB MET 1 1HB MET 1 15.439 12.445 11.327 7 1HG MET 1 2HG MET 1 16.610 12.871 13.212 8 2HG MET 1 1HG MET 1 16.596 11.188 13.735 9 1HE MET 1 1HE MET 1 18.551 10.064 14.059 10 2HE MET 1 2HE MET 1 19.939 9.944 12.978 11 3HE MET 1 3HE MET 1 18.383 9.275 12.490 12 H SER 2 H SER 2 13.296 12.729 11.057 13 HA SER 2 HA SER 2 11.092 11.287 10.035 14 1HB SER 2 2HB SER 2 10.636 13.248 8.702 15 2HB SER 2 1HB SER 2 11.193 13.778 10.289 16 HG SER 2 HG SER 2 13.317 13.964 9.289 17 H GLU 3 H GLU 3 11.193 9.690 8.609 18 HA GLU 3 HA GLU 3 13.439 9.289 6.894 19 1HB GLU 3 2HB GLU 3 10.742 7.931 6.977 20 2HB GLU 3 1HB GLU 3 12.096 7.393 5.999 21 1HG GLU 3 2HG GLU 3 12.954 6.275 7.702 22 2HG GLU 3 1HG GLU 3 12.934 7.717 8.716 23 H THR 4 H THR 4 12.610 8.537 4.478 24 HA THR 4 HA THR 4 11.356 10.964 3.367 25 HB THR 4 HB THR 4 13.532 9.203 2.233 26 HG1 THR 4 HG1 THR 4 14.175 10.819 3.724 27 1HG2 THR 4 1HG2 THR 4 11.817 11.213 0.884 28 2HG2 THR 4 2HG2 THR 4 12.528 9.725 0.259 29 3HG2 THR 4 3HG2 THR 4 13.532 11.159 0.481 30 H VAL 5 H VAL 5 9.917 10.771 1.653 31 HA VAL 5 HA VAL 5 8.563 8.203 1.499 32 HB VAL 5 HB VAL 5 7.836 10.978 0.581 33 1HG1 VAL 5 1HG1 VAL 5 5.696 10.026 -0.237 34 2HG1 VAL 5 2HG1 VAL 5 6.385 8.415 -0.061 35 3HG1 VAL 5 3HG1 VAL 5 7.091 9.556 -1.207 36 1HG2 VAL 5 1HG2 VAL 5 5.944 9.382 2.141 37 2HG2 VAL 5 2HG2 VAL 5 6.492 11.043 2.373 38 3HG2 VAL 5 3HG2 VAL 5 7.471 9.701 2.965 39 H ILE 6 H ILE 6 7.898 7.324 -0.636 40 HA ILE 6 HA ILE 6 10.014 7.795 -2.631 41 HB ILE 6 HB ILE 6 8.366 5.316 -2.669 42 1HG1 ILE 6 2HG1 ILE 6 10.451 6.021 -0.637 43 2HG1 ILE 6 1HG1 ILE 6 8.924 5.192 -0.413 44 1HG2 ILE 6 1HG2 ILE 6 10.269 4.377 -3.704 45 2HG2 ILE 6 2HG2 ILE 6 11.292 5.725 -3.208 46 3HG2 ILE 6 3HG2 ILE 6 10.036 5.969 -4.425 47 1HD1 ILE 6 1HD1 ILE 6 10.912 3.754 -0.119 48 2HD1 ILE 6 2HD1 ILE 6 11.293 3.995 -1.823 49 3HD1 ILE 6 3HD1 ILE 6 9.798 3.180 -1.360 50 H CYS 7 H CYS 7 6.741 6.384 -2.680 51 HA CYS 7 HA CYS 7 6.215 7.971 -5.105 52 1HB CYS 7 2HB CYS 7 4.713 6.069 -5.755 53 2HB CYS 7 1HB CYS 7 6.419 5.668 -5.714 54 HG CYS 7 HG CYS 7 4.781 4.903 -3.227 55 H SER 8 H SER 8 3.703 7.875 -5.555 56 HA SER 8 HA SER 8 2.048 8.072 -3.201 57 1HB SER 8 2HB SER 8 1.502 10.542 -4.357 58 2HB SER 8 1HB SER 8 2.378 10.275 -2.854 59 HG SER 8 HG SER 8 4.310 10.252 -4.062 60 H SER 9 H SER 9 0.309 6.969 -3.883 61 HA SER 9 HA SER 9 -0.792 7.667 -6.529 62 1HB SER 9 2HB SER 9 0.130 5.548 -6.924 63 2HB SER 9 1HB SER 9 -0.337 4.948 -5.334 64 HG SER 9 HG SER 9 -2.463 4.884 -6.006 65 H ARG 10 H ARG 10 -3.078 7.229 -6.806 66 HA ARG 10 HA ARG 10 -4.573 7.643 -4.307 67 1HB ARG 10 2HB ARG 10 -4.832 9.401 -5.993 68 2HB ARG 10 1HB ARG 10 -5.354 8.210 -7.176 69 1HG ARG 10 2HG ARG 10 -7.078 7.826 -5.049 70 2HG ARG 10 1HG ARG 10 -6.870 9.577 -5.122 71 1HD ARG 10 2HD ARG 10 -7.682 7.785 -7.411 72 2HD ARG 10 1HD ARG 10 -8.751 8.850 -6.499 73 HE ARG 10 HE ARG 10 -6.925 9.600 -8.589 74 1HH1 ARG 10 2HH1 ARG 10 -8.685 10.714 -5.790 75 2HH1 ARG 10 1HH1 ARG 10 -8.680 12.372 -6.292 76 1HH2 ARG 10 1HH2 ARG 10 -6.917 11.778 -9.250 77 2HH2 ARG 10 2HH2 ARG 10 -7.677 12.976 -8.257 78 H ALA 11 H ALA 11 -5.788 6.031 -3.543 79 HA ALA 11 HA ALA 11 -7.283 4.272 -5.219 80 1HB ALA 11 1HB ALA 11 -5.308 3.105 -5.660 81 2HB ALA 11 2HB ALA 11 -6.046 2.192 -4.348 82 3HB ALA 11 3HB ALA 11 -4.716 3.298 -4.015 83 H THR 12 H THR 12 -7.809 2.184 -3.649 84 HA THR 12 HA THR 12 -8.607 3.354 -1.065 85 HB THR 12 HB THR 12 -10.158 1.310 -2.666 86 HG1 THR 12 HG1 THR 12 -11.414 2.938 -3.352 87 1HG2 THR 12 1HG2 THR 12 -11.980 2.386 -1.068 88 2HG2 THR 12 2HG2 THR 12 -10.568 2.574 -0.028 89 3HG2 THR 12 3HG2 THR 12 -11.029 0.973 -0.610 90 H VAL 13 H VAL 13 -6.920 2.501 0.110 91 HA VAL 13 HA VAL 13 -5.696 0.087 -0.038 92 HB VAL 13 HB VAL 13 -6.432 1.627 2.447 93 1HG1 VAL 13 1HG1 VAL 13 -4.549 -0.716 2.169 94 2HG1 VAL 13 2HG1 VAL 13 -6.041 -0.668 3.109 95 3HG1 VAL 13 3HG1 VAL 13 -4.665 0.327 3.586 96 1HG2 VAL 13 1HG2 VAL 13 -4.073 1.544 0.607 97 2HG2 VAL 13 2HG2 VAL 13 -3.891 2.076 2.276 98 3HG2 VAL 13 3HG2 VAL 13 -4.981 2.937 1.190 99 H MET 14 H MET 14 -5.904 -1.914 1.070 100 HA MET 14 HA MET 14 -8.490 -2.622 2.168 101 1HB MET 14 2HB MET 14 -8.460 -2.861 -0.445 102 2HB MET 14 1HB MET 14 -7.499 -4.287 -0.125 103 1HG MET 14 2HG MET 14 -9.270 -5.465 0.541 104 2HG MET 14 1HG MET 14 -9.898 -4.140 1.514 105 1HE MET 14 1HE MET 14 -12.868 -4.760 0.263 106 2HE MET 14 2HE MET 14 -12.766 -3.013 0.046 107 3HE MET 14 3HE MET 14 -11.910 -3.788 1.381 108 H LEU 15 H LEU 15 -8.497 -4.788 3.102 109 HA LEU 15 HA LEU 15 -5.839 -5.956 3.499 110 1HB LEU 15 2HB LEU 15 -7.389 -4.540 5.479 111 2HB LEU 15 1HB LEU 15 -7.154 -6.207 5.968 112 HG LEU 15 HG LEU 15 -5.039 -4.137 5.407 113 1HD1 LEU 15 1HD1 LEU 15 -5.700 -3.879 7.603 114 2HD1 LEU 15 2HD1 LEU 15 -4.365 -5.023 7.750 115 3HD1 LEU 15 3HD1 LEU 15 -6.031 -5.599 7.814 116 1HD2 LEU 15 1HD2 LEU 15 -4.076 -6.002 4.428 117 2HD2 LEU 15 2HD2 LEU 15 -4.829 -7.115 5.569 118 3HD2 LEU 15 3HD2 LEU 15 -3.495 -6.086 6.091 119 H TYR 16 H TYR 16 -6.079 -7.933 2.658 120 HA TYR 16 HA TYR 16 -8.554 -9.294 2.535 121 1HB TYR 16 2HB TYR 16 -6.410 -9.575 1.069 122 2HB TYR 16 1HB TYR 16 -5.951 -10.748 2.297 123 HD1 TYR 16 HD1 TYR 16 -6.999 -12.878 2.422 124 HD2 TYR 16 HD2 TYR 16 -8.469 -9.936 -0.278 125 HE1 TYR 16 HE1 TYR 16 -8.400 -14.582 1.343 126 HE2 TYR 16 HE2 TYR 16 -9.875 -11.628 -1.372 127 HH TYR 16 HH TYR 16 -9.531 -14.548 -1.430 128 H ASP 17 H ASP 17 -9.152 -11.270 3.480 129 HA ASP 17 HA ASP 17 -7.873 -11.863 6.061 130 1HB ASP 17 2HB ASP 17 -10.253 -10.608 5.941 131 2HB ASP 17 1HB ASP 17 -10.805 -12.277 5.833 132 H ASP 18 H ASP 18 -6.776 -13.548 4.902 133 HA ASP 18 HA ASP 18 -7.842 -15.518 3.329 134 1HB ASP 18 2HB ASP 18 -6.017 -17.000 4.256 135 2HB ASP 18 1HB ASP 18 -5.484 -15.440 3.639 136 H GLY 19 H GLY 19 -8.273 -15.081 6.738 137 1HA GLY 19 2HA GLY 19 -8.964 -17.653 7.554 138 2HA GLY 19 1HA GLY 19 -9.594 -16.174 8.263 139 H ASN 20 H ASN 20 -10.792 -15.337 5.689 140 HA ASN 20 HA ASN 20 -12.923 -17.339 5.414 141 1HB ASN 20 2HB ASN 20 -13.366 -14.372 5.806 142 2HB ASN 20 1HB ASN 20 -14.623 -15.560 5.472 143 1HD2 ASN 20 1HD2 ASN 20 -12.365 -14.350 7.821 144 2HD2 ASN 20 2HD2 ASN 20 -13.060 -15.138 9.193 145 H LYS 21 H LYS 21 -10.563 -15.955 3.820 146 HA LYS 21 HA LYS 21 -10.124 -15.353 1.670 147 1HB LYS 21 2HB LYS 21 -11.702 -17.647 1.652 148 2HB LYS 21 1HB LYS 21 -12.429 -16.610 0.433 149 1HG LYS 21 2HG LYS 21 -10.901 -17.446 -0.950 150 2HG LYS 21 1HG LYS 21 -9.756 -16.390 -0.122 151 1HD LYS 21 2HD LYS 21 -10.326 -19.053 1.074 152 2HD LYS 21 1HD LYS 21 -9.323 -18.991 -0.376 153 1HE LYS 21 2HE LYS 21 -8.559 -16.991 1.590 154 2HE LYS 21 1HE LYS 21 -8.472 -18.631 2.232 155 1HZ LYS 21 1HZ LYS 21 -7.228 -19.129 0.058 156 2HZ LYS 21 2HZ LYS 21 -6.402 -18.317 1.290 157 3HZ LYS 21 3HZ LYS 21 -7.002 -17.455 -0.035 158 H ARG 22 H ARG 22 -10.617 -13.125 2.085 159 HA ARG 22 HA ARG 22 -12.290 -11.935 0.205 160 1HB ARG 22 2HB ARG 22 -14.020 -10.964 1.773 161 2HB ARG 22 1HB ARG 22 -14.204 -12.674 1.408 162 1HG ARG 22 2HG ARG 22 -14.184 -13.145 3.566 163 2HG ARG 22 1HG ARG 22 -12.565 -12.458 3.709 164 1HD ARG 22 2HD ARG 22 -13.776 -10.187 3.814 165 2HD ARG 22 1HD ARG 22 -15.221 -11.137 4.153 166 HE ARG 22 HE ARG 22 -13.013 -10.642 5.927 167 1HH1 ARG 22 2HH1 ARG 22 -15.665 -12.786 5.187 168 2HH1 ARG 22 1HH1 ARG 22 -15.783 -13.402 6.801 169 1HH2 ARG 22 1HH2 ARG 22 -13.165 -11.451 8.051 170 2HH2 ARG 22 2HH2 ARG 22 -14.363 -12.643 8.428 171 H TRP 23 H TRP 23 -12.387 -9.579 0.424 172 HA TRP 23 HA TRP 23 -9.975 -8.557 1.590 173 1HB TRP 23 2HB TRP 23 -12.214 -7.353 -0.005 174 2HB TRP 23 1HB TRP 23 -11.029 -6.319 0.781 175 HD1 TRP 23 HD1 TRP 23 -11.645 -7.641 -2.451 176 HE1 TRP 23 HE1 TRP 23 -9.514 -7.923 -3.856 177 HE3 TRP 23 HE3 TRP 23 -8.174 -7.288 1.276 178 HZ2 TRP 23 HZ2 TRP 23 -6.727 -7.978 -3.443 179 HZ3 TRP 23 HZ3 TRP 23 -5.794 -7.461 0.683 180 HH2 TRP 23 HH2 TRP 23 -5.086 -7.799 -1.625 181 H LEU 24 H LEU 24 -10.136 -6.402 2.830 182 HA LEU 24 HA LEU 24 -12.405 -6.033 4.531 183 1HB LEU 24 2HB LEU 24 -10.525 -7.942 5.359 184 2HB LEU 24 1HB LEU 24 -10.185 -6.513 6.318 185 HG LEU 24 HG LEU 24 -12.926 -7.752 6.104 186 1HD1 LEU 24 1HD1 LEU 24 -11.665 -9.428 7.137 187 2HD1 LEU 24 2HD1 LEU 24 -12.369 -8.520 8.476 188 3HD1 LEU 24 3HD1 LEU 24 -10.683 -8.264 8.028 189 1HD2 LEU 24 1HD2 LEU 24 -13.642 -6.158 7.516 190 2HD2 LEU 24 2HD2 LEU 24 -12.244 -5.260 6.926 191 3HD2 LEU 24 3HD2 LEU 24 -12.139 -6.158 8.440 192 HA PRO 25 HA PRO 25 -10.726 -1.911 3.975 193 1HB PRO 25 2HB PRO 25 -12.277 -1.587 6.515 194 2HB PRO 25 1HB PRO 25 -12.227 -0.543 5.088 195 1HG PRO 25 2HG PRO 25 -14.275 -2.201 5.498 196 2HG PRO 25 1HG PRO 25 -13.640 -1.909 3.869 197 1HD PRO 25 2HD PRO 25 -13.381 -4.303 5.596 198 2HD PRO 25 1HD PRO 25 -13.346 -4.176 3.828 199 H ALA 26 H ALA 26 -8.539 -2.412 4.450 200 HA ALA 26 HA ALA 26 -7.351 -3.090 6.798 201 1HB ALA 26 1HB ALA 26 -6.139 -0.951 5.092 202 2HB ALA 26 2HB ALA 26 -6.308 -2.606 4.505 203 3HB ALA 26 3HB ALA 26 -5.347 -2.275 5.945 204 H GLY 27 H GLY 27 -8.048 0.231 5.772 205 1HA GLY 27 2HA GLY 27 -7.052 1.675 7.866 206 2HA GLY 27 1HA GLY 27 -8.515 2.121 7.004 207 H THR 28 H THR 28 -10.506 1.791 7.953 208 HA THR 28 HA THR 28 -10.623 0.406 10.514 209 HB THR 28 HB THR 28 -12.092 2.710 11.028 210 HG1 THR 28 HG1 THR 28 -9.571 3.444 9.962 211 1HG2 THR 28 1HG2 THR 28 -9.562 3.119 12.160 212 2HG2 THR 28 2HG2 THR 28 -9.820 1.375 12.121 213 3HG2 THR 28 3HG2 THR 28 -10.993 2.421 12.918 214 H GLY 29 H GLY 29 -12.892 2.758 9.173 215 1HA GLY 29 2HA GLY 29 -14.743 0.526 8.606 216 2HA GLY 29 1HA GLY 29 -15.274 1.982 9.433 217 HA PRO 30 HA PRO 30 -16.686 3.754 5.647 218 1HB PRO 30 2HB PRO 30 -15.209 6.186 6.558 219 2HB PRO 30 1HB PRO 30 -16.872 6.032 5.982 220 1HG PRO 30 2HG PRO 30 -16.358 6.303 8.579 221 2HG PRO 30 1HG PRO 30 -17.641 5.218 8.013 222 1HD PRO 30 2HD PRO 30 -14.938 4.566 9.077 223 2HD PRO 30 1HD PRO 30 -16.457 3.659 9.216 224 H GLN 31 H GLN 31 -15.866 4.790 3.654 225 HA GLN 31 HA GLN 31 -12.969 4.743 3.332 226 1HB GLN 31 2HB GLN 31 -14.806 2.743 2.223 227 2HB GLN 31 1HB GLN 31 -13.740 3.468 1.030 228 1HG GLN 31 2HG GLN 31 -11.947 2.393 1.803 229 2HG GLN 31 1HG GLN 31 -12.376 2.688 3.487 230 1HE2 GLN 31 1HE2 GLN 31 -11.361 0.272 2.185 231 2HE2 GLN 31 2HE2 GLN 31 -12.519 -0.967 2.515 232 H ALA 32 H ALA 32 -12.306 5.519 1.173 233 HA ALA 32 HA ALA 32 -13.878 6.807 -0.681 234 1HB ALA 32 1HB ALA 32 -13.932 8.221 1.761 235 2HB ALA 32 2HB ALA 32 -14.573 8.733 0.201 236 3HB ALA 32 3HB ALA 32 -12.923 9.155 0.658 237 H PHE 33 H PHE 33 -11.593 5.322 -0.658 238 HA PHE 33 HA PHE 33 -9.524 5.189 -1.585 239 1HB PHE 33 2HB PHE 33 -10.435 7.843 -2.646 240 2HB PHE 33 1HB PHE 33 -8.788 7.304 -2.925 241 HD1 PHE 33 HD1 PHE 33 -12.310 6.157 -3.306 242 HD2 PHE 33 HD2 PHE 33 -8.311 5.998 -4.749 243 HE1 PHE 33 HE1 PHE 33 -13.061 4.819 -5.229 244 HE2 PHE 33 HE2 PHE 33 -9.052 4.661 -6.672 245 HZ PHE 33 HZ PHE 33 -11.432 4.068 -6.917 246 H SER 34 H SER 34 -7.365 6.700 -1.754 247 HA SER 34 HA SER 34 -6.924 8.540 0.333 248 1HB SER 34 2HB SER 34 -7.056 6.937 1.998 249 2HB SER 34 1HB SER 34 -6.477 5.647 0.949 250 HG SER 34 HG SER 34 -4.993 6.478 2.633 251 H ARG 35 H ARG 35 -4.735 9.240 0.444 252 HA ARG 35 HA ARG 35 -3.235 8.602 -1.981 253 1HB ARG 35 2HB ARG 35 -3.783 11.005 -1.009 254 2HB ARG 35 1HB ARG 35 -2.348 10.694 -0.041 255 1HG ARG 35 2HG ARG 35 -1.301 11.644 -1.785 256 2HG ARG 35 1HG ARG 35 -1.416 10.023 -2.467 257 1HD ARG 35 2HD ARG 35 -2.669 10.778 -4.135 258 2HD ARG 35 1HD ARG 35 -3.848 11.422 -2.994 259 HE ARG 35 HE ARG 35 -1.790 12.887 -4.392 260 1HH1 ARG 35 2HH1 ARG 35 -3.997 12.871 -1.685 261 2HH1 ARG 35 1HH1 ARG 35 -4.014 14.597 -1.532 262 1HH2 ARG 35 1HH2 ARG 35 -1.812 15.154 -4.188 263 2HH2 ARG 35 2HH2 ARG 35 -2.775 15.892 -2.950 264 H VAL 36 H VAL 36 -2.211 6.711 -1.575 265 HA VAL 36 HA VAL 36 -0.694 6.440 0.902 266 HB VAL 36 HB VAL 36 -1.120 4.350 -1.229 267 1HG1 VAL 36 1HG1 VAL 36 -0.234 4.141 1.648 268 2HG1 VAL 36 2HG1 VAL 36 0.793 3.939 0.229 269 3HG1 VAL 36 3HG1 VAL 36 -0.503 2.786 0.551 270 1HG2 VAL 36 1HG2 VAL 36 -2.588 4.017 1.261 271 2HG2 VAL 36 2HG2 VAL 36 -3.142 3.870 -0.406 272 3HG2 VAL 36 3HG2 VAL 36 -3.082 5.453 0.366 273 H GLN 37 H GLN 37 1.359 6.813 1.005 274 HA GLN 37 HA GLN 37 2.978 6.760 -1.451 275 1HB GLN 37 2HB GLN 37 3.527 8.314 1.075 276 2HB GLN 37 1HB GLN 37 4.386 8.447 -0.449 277 1HG GLN 37 2HG GLN 37 2.103 9.144 -1.412 278 2HG GLN 37 1HG GLN 37 1.652 9.414 0.268 279 1HE2 GLN 37 1HE2 GLN 37 4.193 10.209 -2.071 280 2HE2 GLN 37 2HE2 GLN 37 4.470 11.811 -1.486 281 H ILE 38 H ILE 38 5.409 6.355 -0.843 282 HA ILE 38 HA ILE 38 5.446 4.168 1.132 283 HB ILE 38 HB ILE 38 6.944 4.410 -1.485 284 1HG1 ILE 38 2HG1 ILE 38 5.003 2.345 -0.420 285 2HG1 ILE 38 1HG1 ILE 38 4.630 3.585 -1.615 286 1HG2 ILE 38 1HG2 ILE 38 8.455 3.540 0.250 287 2HG2 ILE 38 2HG2 ILE 38 8.024 2.282 -0.904 288 3HG2 ILE 38 3HG2 ILE 38 7.259 2.321 0.685 289 1HD1 ILE 38 1HD1 ILE 38 5.938 1.012 -1.931 290 2HD1 ILE 38 2HD1 ILE 38 6.809 2.342 -2.698 291 3HD1 ILE 38 3HD1 ILE 38 5.125 2.030 -3.121 292 H TYR 39 H TYR 39 7.467 3.851 2.266 293 HA TYR 39 HA TYR 39 8.966 6.372 2.520 294 1HB TYR 39 2HB TYR 39 7.934 4.436 4.534 295 2HB TYR 39 1HB TYR 39 9.454 5.260 4.883 296 HD1 TYR 39 HD1 TYR 39 6.090 6.174 3.503 297 HD2 TYR 39 HD2 TYR 39 9.264 7.153 6.157 298 HE1 TYR 39 HE1 TYR 39 4.851 8.163 4.237 299 HE2 TYR 39 HE2 TYR 39 8.038 9.144 6.906 300 HH TYR 39 HH TYR 39 5.190 9.685 6.837 301 H HIS 40 H HIS 40 10.982 6.313 1.878 302 HA HIS 40 HA HIS 40 12.336 3.756 1.534 303 1HB HIS 40 2HB HIS 40 12.307 5.402 -0.328 304 2HB HIS 40 1HB HIS 40 13.191 6.534 0.684 305 HD1 HIS 40 HD1 HIS 40 13.683 3.898 -1.745 306 HD2 HIS 40 HD2 HIS 40 15.860 5.504 1.407 307 HE1 HIS 40 HE1 HIS 40 16.055 3.150 -2.116 308 HE2 HIS 40 HE2 HIS 40 17.367 4.198 -0.238 309 H ASN 41 H ASN 41 12.780 3.283 3.718 310 HA ASN 41 HA ASN 41 14.620 5.093 5.113 311 1HB ASN 41 2HB ASN 41 13.300 2.619 6.231 312 2HB ASN 41 1HB ASN 41 14.058 3.932 7.124 313 1HD2 ASN 41 1HD2 ASN 41 11.694 3.373 7.994 314 2HD2 ASN 41 2HD2 ASN 41 10.489 4.487 7.451 315 HA PRO 42 HA PRO 42 17.588 1.910 3.766 316 1HB PRO 42 2HB PRO 42 19.657 3.509 3.322 317 2HB PRO 42 1HB PRO 42 18.294 3.473 2.198 318 1HG PRO 42 2HG PRO 42 18.930 5.468 4.338 319 2HG PRO 42 1HG PRO 42 18.343 5.748 2.688 320 1HD PRO 42 2HD PRO 42 16.738 5.719 4.940 321 2HD PRO 42 1HD PRO 42 16.167 5.421 3.290 322 H THR 43 H THR 43 17.803 4.336 6.273 323 HA THR 43 HA THR 43 20.170 3.775 7.531 324 HB THR 43 HB THR 43 18.595 5.530 8.250 325 HG1 THR 43 HG1 THR 43 19.384 3.673 10.235 326 1HG2 THR 43 1HG2 THR 43 16.520 4.177 8.150 327 2HG2 THR 43 2HG2 THR 43 16.720 5.084 9.650 328 3HG2 THR 43 3HG2 THR 43 17.044 3.351 9.618 329 H ALA 44 H ALA 44 17.271 1.838 7.447 330 HA ALA 44 HA ALA 44 18.638 -0.201 9.083 331 1HB ALA 44 1HB ALA 44 16.866 0.283 10.442 332 2HB ALA 44 2HB ALA 44 16.142 -0.971 9.435 333 3HB ALA 44 3HB ALA 44 15.813 0.728 9.099 334 H ASN 45 H ASN 45 17.608 0.555 6.014 335 HA ASN 45 HA ASN 45 17.527 -0.646 4.083 336 1HB ASN 45 2HB ASN 45 19.154 -2.192 5.696 337 2HB ASN 45 1HB ASN 45 17.896 -3.325 5.209 338 1HD2 ASN 45 1HD2 ASN 45 17.352 -2.227 2.667 339 2HD2 ASN 45 2HD2 ASN 45 18.714 -2.538 1.653 340 H SER 46 H SER 46 15.221 -0.040 5.429 341 HA SER 46 HA SER 46 13.501 -2.283 4.642 342 1HB SER 46 2HB SER 46 12.639 -0.726 7.023 343 2HB SER 46 1HB SER 46 12.391 -2.429 6.640 344 HG SER 46 HG SER 46 14.296 -2.922 7.491 345 H PHE 47 H PHE 47 11.126 -1.512 4.611 346 HA PHE 47 HA PHE 47 10.961 1.289 3.751 347 1HB PHE 47 2HB PHE 47 10.130 -1.152 2.200 348 2HB PHE 47 1HB PHE 47 9.408 0.421 1.890 349 HD1 PHE 47 HD1 PHE 47 12.399 -1.616 1.589 350 HD2 PHE 47 HD2 PHE 47 10.721 2.236 0.975 351 HE1 PHE 47 HE1 PHE 47 14.308 -1.026 0.150 352 HE2 PHE 47 HE2 PHE 47 12.621 2.843 -0.465 353 HZ PHE 47 HZ PHE 47 14.419 1.210 -0.882 354 H ARG 48 H ARG 48 8.471 1.749 3.249 355 HA ARG 48 HA ARG 48 6.629 0.322 4.913 356 1HB ARG 48 2HB ARG 48 7.731 1.491 6.690 357 2HB ARG 48 1HB ARG 48 7.671 3.007 5.808 358 1HG ARG 48 2HG ARG 48 5.125 2.780 5.957 359 2HG ARG 48 1HG ARG 48 5.447 1.551 7.177 360 1HD ARG 48 2HD ARG 48 6.970 4.006 7.576 361 2HD ARG 48 1HD ARG 48 5.226 4.250 7.630 362 HE ARG 48 HE ARG 48 5.136 3.045 9.587 363 1HH1 ARG 48 2HH1 ARG 48 8.299 2.690 8.152 364 2HH1 ARG 48 1HH1 ARG 48 8.983 1.929 9.549 365 1HH2 ARG 48 1HH2 ARG 48 6.035 2.047 11.423 366 2HH2 ARG 48 2HH2 ARG 48 7.698 1.564 11.405 367 H VAL 49 H VAL 49 4.488 0.960 4.658 368 HA VAL 49 HA VAL 49 4.021 2.812 2.419 369 HB VAL 49 HB VAL 49 3.296 0.581 1.869 370 1HG1 VAL 49 1HG1 VAL 49 1.975 0.677 4.554 371 2HG1 VAL 49 2HG1 VAL 49 3.060 -0.544 3.889 372 3HG1 VAL 49 3HG1 VAL 49 1.403 -0.419 3.297 373 1HG2 VAL 49 1HG2 VAL 49 1.838 2.579 1.292 374 2HG2 VAL 49 2HG2 VAL 49 0.784 2.058 2.607 375 3HG2 VAL 49 3HG2 VAL 49 1.067 0.994 1.229 376 H VAL 50 H VAL 50 2.702 4.545 2.713 377 HA VAL 50 HA VAL 50 1.096 4.689 5.162 378 HB VAL 50 HB VAL 50 2.670 7.107 4.368 379 1HG1 VAL 50 1HG1 VAL 50 2.491 7.488 6.851 380 2HG1 VAL 50 2HG1 VAL 50 1.429 6.081 6.908 381 3HG1 VAL 50 3HG1 VAL 50 0.966 7.499 5.966 382 1HG2 VAL 50 1HG2 VAL 50 3.693 4.817 6.040 383 2HG2 VAL 50 2HG2 VAL 50 4.394 6.435 6.056 384 3HG2 VAL 50 3HG2 VAL 50 4.410 5.483 4.572 385 H GLY 51 H GLY 51 -0.915 5.271 4.668 386 1HA GLY 51 2HA GLY 51 -1.338 7.269 2.563 387 2HA GLY 51 1HA GLY 51 -2.148 5.719 2.406 388 H ARG 52 H ARG 52 -3.220 8.458 2.717 389 HA ARG 52 HA ARG 52 -4.950 7.901 5.027 390 1HB ARG 52 2HB ARG 52 -4.972 10.239 5.651 391 2HB ARG 52 1HB ARG 52 -3.313 9.659 5.628 392 1HG ARG 52 2HG ARG 52 -2.751 11.286 4.242 393 2HG ARG 52 1HG ARG 52 -3.910 10.690 3.054 394 1HD ARG 52 2HD ARG 52 -5.489 11.993 4.913 395 2HD ARG 52 1HD ARG 52 -4.053 13.009 4.801 396 HE ARG 52 HE ARG 52 -6.081 12.670 2.816 397 1HH1 ARG 52 2HH1 ARG 52 -2.696 13.373 3.294 398 2HH1 ARG 52 1HH1 ARG 52 -2.539 14.245 1.807 399 1HH2 ARG 52 1HH2 ARG 52 -5.876 13.816 0.859 400 2HH2 ARG 52 2HH2 ARG 52 -4.344 14.499 0.425 401 H LYS 53 H LYS 53 -7.097 8.666 4.856 402 HA LYS 53 HA LYS 53 -8.247 8.444 2.320 403 1HB LYS 53 2HB LYS 53 -9.161 8.680 4.965 404 2HB LYS 53 1HB LYS 53 -9.923 9.995 4.082 405 1HG LYS 53 2HG LYS 53 -11.101 8.579 2.711 406 2HG LYS 53 1HG LYS 53 -9.957 7.251 2.921 407 1HD LYS 53 2HD LYS 53 -11.122 7.955 5.452 408 2HD LYS 53 1HD LYS 53 -12.395 7.661 4.265 409 1HE LYS 53 2HE LYS 53 -12.088 5.521 4.948 410 2HE LYS 53 1HE LYS 53 -10.829 5.574 3.715 411 1HZ LYS 53 1HZ LYS 53 -10.552 5.701 6.646 412 2HZ LYS 53 2HZ LYS 53 -9.347 6.345 5.650 413 3HZ LYS 53 3HZ LYS 53 -9.746 4.704 5.542 414 H MET 54 H MET 54 -9.602 10.090 1.221 415 HA MET 54 HA MET 54 -8.173 12.659 1.139 416 1HB MET 54 2HB MET 54 -9.999 11.635 -1.021 417 2HB MET 54 1HB MET 54 -8.723 12.840 -1.144 418 1HG MET 54 2HG MET 54 -7.042 11.111 -0.838 419 2HG MET 54 1HG MET 54 -8.307 9.897 -0.669 420 1HE MET 54 1HE MET 54 -6.105 11.909 -2.543 421 2HE MET 54 2HE MET 54 -7.054 12.532 -3.892 422 3HE MET 54 3HE MET 54 -6.048 11.099 -4.109 423 H GLN 55 H GLN 55 -9.960 12.454 3.164 424 HA GLN 55 HA GLN 55 -12.170 14.169 2.243 425 1HB GLN 55 2HB GLN 55 -13.569 13.176 4.048 426 2HB GLN 55 1HB GLN 55 -13.126 12.028 2.793 427 1HG GLN 55 2HG GLN 55 -11.766 10.825 4.176 428 2HG GLN 55 1HG GLN 55 -11.412 12.208 5.212 429 1HE2 GLN 55 1HE2 GLN 55 -12.511 9.377 5.598 430 2HE2 GLN 55 2HE2 GLN 55 -13.875 9.615 6.631 431 HA PRO 56 HA PRO 56 -11.187 17.343 5.116 432 1HB PRO 56 2HB PRO 56 -13.789 16.773 6.475 433 2HB PRO 56 1HB PRO 56 -13.117 18.316 5.935 434 1HG PRO 56 2HG PRO 56 -15.022 17.112 4.525 435 2HG PRO 56 1HG PRO 56 -13.676 17.934 3.713 436 1HD PRO 56 2HD PRO 56 -14.180 15.022 4.072 437 2HD PRO 56 1HD PRO 56 -13.388 15.875 2.733 438 H ASP 57 H ASP 57 -12.337 14.286 6.394 439 HA ASP 57 HA ASP 57 -11.534 14.729 9.085 440 1HB ASP 57 2HB ASP 57 -11.984 12.140 7.585 441 2HB ASP 57 1HB ASP 57 -11.786 12.275 9.329 442 H GLN 58 H GLN 58 -10.007 13.108 6.324 443 HA GLN 58 HA GLN 58 -7.855 12.508 5.903 444 1HB GLN 58 2HB GLN 58 -7.655 14.910 7.594 445 2HB GLN 58 1HB GLN 58 -6.209 13.911 7.573 446 1HG GLN 58 2HG GLN 58 -5.634 14.703 5.594 447 2HG GLN 58 1HG GLN 58 -7.184 14.219 4.905 448 1HE2 GLN 58 1HE2 GLN 58 -8.960 15.800 6.150 449 2HE2 GLN 58 2HE2 GLN 58 -8.651 17.463 5.803 450 H GLN 59 H GLN 59 -7.920 10.399 6.605 451 HA GLN 59 HA GLN 59 -6.662 9.913 9.214 452 1HB GLN 59 2HB GLN 59 -8.164 8.097 9.699 453 2HB GLN 59 1HB GLN 59 -9.119 9.534 9.366 454 1HG GLN 59 2HG GLN 59 -9.266 8.615 6.967 455 2HG GLN 59 1HG GLN 59 -8.752 7.089 7.687 456 1HE2 GLN 59 1HE2 GLN 59 -10.168 5.921 8.889 457 2HE2 GLN 59 2HE2 GLN 59 -11.831 6.340 9.094 458 H VAL 60 H VAL 60 -5.110 8.358 9.224 459 HA VAL 60 HA VAL 60 -4.114 7.440 6.721 460 HB VAL 60 HB VAL 60 -2.372 6.334 7.960 461 1HG1 VAL 60 1HG1 VAL 60 -2.018 8.406 9.701 462 2HG1 VAL 60 2HG1 VAL 60 -3.153 9.093 8.539 463 3HG1 VAL 60 3HG1 VAL 60 -1.612 8.440 7.985 464 1HG2 VAL 60 1HG2 VAL 60 -2.762 6.822 10.637 465 2HG2 VAL 60 2HG2 VAL 60 -2.977 5.267 9.833 466 3HG2 VAL 60 3HG2 VAL 60 -4.364 6.326 10.093 467 H VAL 61 H VAL 61 -4.728 5.724 5.604 468 HA VAL 61 HA VAL 61 -6.413 3.718 6.884 469 HB VAL 61 HB VAL 61 -7.104 3.039 4.723 470 1HG1 VAL 61 1HG1 VAL 61 -7.512 5.563 5.616 471 2HG1 VAL 61 2HG1 VAL 61 -8.292 4.875 4.192 472 3HG1 VAL 61 3HG1 VAL 61 -6.854 5.881 4.010 473 1HG2 VAL 61 1HG2 VAL 61 -4.877 2.958 3.679 474 2HG2 VAL 61 2HG2 VAL 61 -4.884 4.716 3.553 475 3HG2 VAL 61 3HG2 VAL 61 -6.063 3.762 2.652 476 H ILE 62 H ILE 62 -3.218 4.112 5.630 477 HA ILE 62 HA ILE 62 -2.623 1.332 6.336 478 HB ILE 62 HB ILE 62 -2.878 1.477 3.855 479 1HG1 ILE 62 2HG1 ILE 62 0.018 0.981 4.431 480 2HG1 ILE 62 1HG1 ILE 62 -1.200 -0.018 5.218 481 1HG2 ILE 62 1HG2 ILE 62 -1.407 2.725 2.506 482 2HG2 ILE 62 2HG2 ILE 62 -0.355 3.109 3.869 483 3HG2 ILE 62 3HG2 ILE 62 -1.958 3.840 3.757 484 1HD1 ILE 62 1HD1 ILE 62 -0.553 0.216 2.309 485 2HD1 ILE 62 2HD1 ILE 62 -2.112 -0.405 2.853 486 3HD1 ILE 62 3HD1 ILE 62 -0.623 -1.224 3.325 487 H ASN 63 H ASN 63 -0.757 1.092 7.444 488 HA ASN 63 HA ASN 63 1.378 2.999 7.283 489 1HB ASN 63 2HB ASN 63 1.256 3.711 9.654 490 2HB ASN 63 1HB ASN 63 -0.126 4.261 8.716 491 1HD2 ASN 63 1HD2 ASN 63 -0.890 4.484 11.014 492 2HD2 ASN 63 2HD2 ASN 63 -1.727 3.131 11.690 493 H CYS 64 H CYS 64 2.144 0.790 6.669 494 HA CYS 64 HA CYS 64 3.218 -0.544 9.052 495 1HB CYS 64 2HB CYS 64 1.232 -1.805 8.129 496 2HB CYS 64 1HB CYS 64 2.173 -2.072 6.666 497 HG CYS 64 HG CYS 64 3.157 -4.006 7.774 498 H ALA 65 H ALA 65 5.266 -1.411 8.827 499 HA ALA 65 HA ALA 65 6.819 -0.335 6.638 500 1HB ALA 65 1HB ALA 65 8.654 -0.620 7.958 501 2HB ALA 65 2HB ALA 65 8.050 -2.117 8.667 502 3HB ALA 65 3HB ALA 65 7.411 -0.563 9.208 503 H ILE 66 H ILE 66 7.562 -1.427 4.905 504 HA ILE 66 HA ILE 66 6.966 -4.299 4.765 505 HB ILE 66 HB ILE 66 7.422 -3.961 2.274 506 1HG1 ILE 66 2HG1 ILE 66 6.673 -1.123 2.549 507 2HG1 ILE 66 1HG1 ILE 66 8.328 -1.516 3.012 508 1HG2 ILE 66 1HG2 ILE 66 5.117 -2.659 2.098 509 2HG2 ILE 66 2HG2 ILE 66 5.083 -3.003 3.829 510 3HG2 ILE 66 3HG2 ILE 66 5.211 -4.326 2.669 511 1HD1 ILE 66 1HD1 ILE 66 8.547 -1.022 0.778 512 2HD1 ILE 66 2HD1 ILE 66 6.999 -1.753 0.356 513 3HD1 ILE 66 3HD1 ILE 66 8.381 -2.780 0.748 514 H VAL 67 H VAL 67 8.587 -5.641 5.096 515 HA VAL 67 HA VAL 67 11.319 -4.738 4.491 516 HB VAL 67 HB VAL 67 11.913 -6.843 5.905 517 1HG1 VAL 67 1HG1 VAL 67 10.717 -4.498 7.362 518 2HG1 VAL 67 2HG1 VAL 67 12.242 -4.408 6.480 519 3HG1 VAL 67 3HG1 VAL 67 12.079 -5.505 7.851 520 1HG2 VAL 67 1HG2 VAL 67 9.351 -7.404 5.920 521 2HG2 VAL 67 2HG2 VAL 67 9.326 -6.282 7.281 522 3HG2 VAL 67 3HG2 VAL 67 10.346 -7.719 7.341 523 H ARG 68 H ARG 68 12.820 -6.514 3.769 524 HA ARG 68 HA ARG 68 12.195 -7.496 1.312 525 1HB ARG 68 2HB ARG 68 14.462 -7.509 2.216 526 2HB ARG 68 1HB ARG 68 14.025 -8.782 3.347 527 1HG ARG 68 2HG ARG 68 13.591 -10.291 1.459 528 2HG ARG 68 1HG ARG 68 14.089 -9.015 0.347 529 1HD ARG 68 2HD ARG 68 16.003 -10.316 0.578 530 2HD ARG 68 1HD ARG 68 16.274 -8.977 1.692 531 HE ARG 68 HE ARG 68 16.163 -10.448 3.451 532 1HH1 ARG 68 2HH1 ARG 68 15.033 -12.034 0.553 533 2HH1 ARG 68 1HH1 ARG 68 15.007 -13.607 1.276 534 1HH2 ARG 68 1HH2 ARG 68 16.128 -12.517 4.400 535 2HH2 ARG 68 2HH2 ARG 68 15.628 -13.882 3.459 536 H GLY 69 H GLY 69 10.281 -8.543 0.941 537 1HA GLY 69 2HA GLY 69 9.999 -11.235 1.200 538 2HA GLY 69 1HA GLY 69 9.354 -10.622 2.710 539 H VAL 70 H VAL 70 8.347 -8.151 1.183 540 HA VAL 70 HA VAL 70 5.908 -9.484 0.244 541 HB VAL 70 HB VAL 70 6.418 -7.018 1.709 542 1HG1 VAL 70 1HG1 VAL 70 5.917 -5.981 -0.478 543 2HG1 VAL 70 2HG1 VAL 70 4.687 -5.647 0.739 544 3HG1 VAL 70 3HG1 VAL 70 4.383 -6.851 -0.511 545 1HG2 VAL 70 1HG2 VAL 70 3.751 -8.277 1.231 546 2HG2 VAL 70 2HG2 VAL 70 4.377 -7.493 2.684 547 3HG2 VAL 70 3HG2 VAL 70 4.964 -9.091 2.223 548 H LYS 71 H LYS 71 5.450 -9.610 -1.824 549 HA LYS 71 HA LYS 71 6.736 -7.718 -3.682 550 1HB LYS 71 2HB LYS 71 7.283 -10.361 -3.603 551 2HB LYS 71 1HB LYS 71 5.915 -10.371 -4.708 552 1HG LYS 71 2HG LYS 71 7.816 -8.296 -5.380 553 2HG LYS 71 1HG LYS 71 8.567 -9.894 -5.346 554 1HD LYS 71 2HD LYS 71 5.947 -9.748 -6.687 555 2HD LYS 71 1HD LYS 71 7.255 -8.873 -7.482 556 1HE LYS 71 2HE LYS 71 8.040 -11.528 -6.570 557 2HE LYS 71 1HE LYS 71 6.717 -11.560 -7.735 558 1HZ LYS 71 1HZ LYS 71 9.161 -9.973 -8.227 559 2HZ LYS 71 2HZ LYS 71 8.013 -10.516 -9.344 560 3HZ LYS 71 3HZ LYS 71 9.082 -11.615 -8.630 561 H TYR 72 H TYR 72 5.464 -6.702 -5.124 562 HA TYR 72 HA TYR 72 2.653 -6.715 -4.760 563 1HB TYR 72 2HB TYR 72 4.601 -5.293 -6.474 564 2HB TYR 72 1HB TYR 72 2.971 -5.410 -7.123 565 HD1 TYR 72 HD1 TYR 72 2.917 -2.904 -6.987 566 HD2 TYR 72 HD2 TYR 72 3.259 -5.352 -3.521 567 HE1 TYR 72 HE1 TYR 72 2.229 -1.008 -5.582 568 HE2 TYR 72 HE2 TYR 72 2.573 -3.465 -2.113 569 HH TYR 72 HH TYR 72 1.449 -1.384 -2.238 570 H ASN 73 H ASN 73 1.132 -7.929 -5.653 571 HA ASN 73 HA ASN 73 1.894 -9.820 -7.745 572 1HB ASN 73 2HB ASN 73 0.350 -10.074 -5.452 573 2HB ASN 73 1HB ASN 73 -0.840 -10.033 -6.748 574 1HD2 ASN 73 1HD2 ASN 73 -1.448 -12.074 -6.984 575 2HD2 ASN 73 2HD2 ASN 73 -0.389 -13.412 -7.250 576 H GLN 74 H GLN 74 -0.250 -7.119 -7.149 577 HA GLN 74 HA GLN 74 -1.573 -5.869 -8.510 578 1HB GLN 74 2HB GLN 74 0.606 -5.743 -9.767 579 2HB GLN 74 1HB GLN 74 0.024 -7.056 -10.780 580 1HG GLN 74 2HG GLN 74 -1.971 -5.031 -10.688 581 2HG GLN 74 1HG GLN 74 -0.420 -4.283 -11.064 582 1HE2 GLN 74 1HE2 GLN 74 -2.949 -6.323 -12.170 583 2HE2 GLN 74 2HE2 GLN 74 -2.353 -6.568 -13.772 584 H ALA 75 H ALA 75 -3.342 -7.278 -7.900 585 HA ALA 75 HA ALA 75 -4.161 -9.557 -9.252 586 1HB ALA 75 1HB ALA 75 -5.422 -9.278 -7.391 587 2HB ALA 75 2HB ALA 75 -6.536 -8.552 -8.549 588 3HB ALA 75 3HB ALA 75 -5.491 -7.524 -7.566 589 H THR 76 H THR 76 -4.984 -6.166 -9.920 590 HA THR 76 HA THR 76 -5.611 -6.927 -12.679 591 HB THR 76 HB THR 76 -7.688 -5.821 -12.725 592 HG1 THR 76 HG1 THR 76 -7.873 -4.062 -11.631 593 1HG2 THR 76 1HG2 THR 76 -7.452 -7.283 -10.118 594 2HG2 THR 76 2HG2 THR 76 -8.109 -7.865 -11.648 595 3HG2 THR 76 3HG2 THR 76 -8.979 -6.641 -10.723 596 HA PRO 77 HA PRO 77 -3.479 -3.367 -14.135 597 1HB PRO 77 2HB PRO 77 -6.053 -2.248 -15.150 598 2HB PRO 77 1HB PRO 77 -4.517 -2.483 -15.994 599 1HG PRO 77 2HG PRO 77 -6.551 -4.139 -16.418 600 2HG PRO 77 1HG PRO 77 -4.890 -4.753 -16.314 601 1HD PRO 77 2HD PRO 77 -7.094 -4.896 -14.310 602 2HD PRO 77 1HD PRO 77 -5.822 -6.079 -14.675 603 H ASN 78 H ASN 78 -6.403 -2.864 -12.288 604 HA ASN 78 HA ASN 78 -5.300 -0.310 -11.318 605 1HB ASN 78 2HB ASN 78 -7.566 0.483 -10.947 606 2HB ASN 78 1HB ASN 78 -7.383 -0.015 -12.627 607 1HD2 ASN 78 1HD2 ASN 78 -9.444 -0.055 -10.145 608 2HD2 ASN 78 2HD2 ASN 78 -10.337 -1.491 -10.497 609 H PHE 79 H PHE 79 -4.734 -2.946 -10.275 610 HA PHE 79 HA PHE 79 -5.527 -2.459 -7.520 611 1HB PHE 79 2HB PHE 79 -7.041 -4.229 -8.901 612 2HB PHE 79 1HB PHE 79 -5.773 -5.299 -8.313 613 HD1 PHE 79 HD1 PHE 79 -5.448 -5.633 -5.906 614 HD2 PHE 79 HD2 PHE 79 -8.643 -3.261 -7.417 615 HE1 PHE 79 HE1 PHE 79 -6.572 -5.759 -3.718 616 HE2 PHE 79 HE2 PHE 79 -9.770 -3.383 -5.233 617 HZ PHE 79 HZ PHE 79 -8.734 -4.633 -3.382 618 H HIS 80 H HIS 80 -3.825 -2.667 -6.248 619 HA HIS 80 HA HIS 80 -1.638 -4.456 -7.067 620 1HB HIS 80 2HB HIS 80 -1.471 -1.660 -5.963 621 2HB HIS 80 1HB HIS 80 -0.103 -2.767 -5.948 622 HD1 HIS 80 HD1 HIS 80 1.420 -1.989 -7.739 623 HD2 HIS 80 HD2 HIS 80 -2.547 -1.944 -8.962 624 HE1 HIS 80 HE1 HIS 80 1.473 -1.371 -10.178 625 HE2 HIS 80 HE2 HIS 80 -0.934 -1.415 -10.910 626 H GLN 81 H GLN 81 -2.038 -6.130 -5.724 627 HA GLN 81 HA GLN 81 -2.259 -5.542 -2.850 628 1HB GLN 81 2HB GLN 81 -4.091 -6.819 -2.968 629 2HB GLN 81 1HB GLN 81 -3.724 -7.292 -4.617 630 1HG GLN 81 2HG GLN 81 -2.409 -8.602 -2.263 631 2HG GLN 81 1HG GLN 81 -3.969 -9.135 -2.884 632 1HE2 GLN 81 1HE2 GLN 81 -1.669 -10.736 -2.795 633 2HE2 GLN 81 2HE2 GLN 81 -1.202 -11.105 -4.418 634 H TRP 82 H TRP 82 -1.051 -6.690 -1.364 635 HA TRP 82 HA TRP 82 0.920 -8.607 -2.331 636 1HB TRP 82 2HB TRP 82 2.770 -7.481 -1.193 637 2HB TRP 82 1HB TRP 82 2.090 -6.460 -2.449 638 HD1 TRP 82 HD1 TRP 82 2.884 -6.507 1.198 639 HE1 TRP 82 HE1 TRP 82 2.139 -4.300 2.288 640 HE3 TRP 82 HE3 TRP 82 0.070 -4.620 -2.631 641 HZ2 TRP 82 HZ2 TRP 82 0.566 -2.058 1.619 642 HZ3 TRP 82 HZ3 TRP 82 -1.024 -2.438 -2.323 643 HH2 TRP 82 HH2 TRP 82 -0.781 -1.185 -0.240 644 H ARG 83 H ARG 83 1.588 -10.083 -0.795 645 HA ARG 83 HA ARG 83 -0.091 -10.234 1.566 646 1HB ARG 83 2HB ARG 83 1.088 -12.117 -0.156 647 2HB ARG 83 1HB ARG 83 1.892 -12.329 1.394 648 1HG ARG 83 2HG ARG 83 -0.622 -12.225 2.258 649 2HG ARG 83 1HG ARG 83 -0.920 -12.827 0.627 650 1HD ARG 83 2HD ARG 83 -0.676 -14.710 2.079 651 2HD ARG 83 1HD ARG 83 0.757 -14.619 1.054 652 HE ARG 83 HE ARG 83 1.517 -13.274 3.264 653 1HH1 ARG 83 2HH1 ARG 83 0.062 -16.411 2.792 654 2HH1 ARG 83 1HH1 ARG 83 0.803 -17.104 4.195 655 1HH2 ARG 83 1HH2 ARG 83 2.493 -14.185 5.109 656 2HH2 ARG 83 2HH2 ARG 83 2.184 -15.841 5.510 657 H ASP 84 H ASP 84 0.573 -8.942 3.177 658 HA ASP 84 HA ASP 84 3.419 -8.911 3.874 659 1HB ASP 84 2HB ASP 84 2.354 -6.720 3.444 660 2HB ASP 84 1HB ASP 84 1.221 -7.028 4.753 661 H ALA 85 H ALA 85 4.109 -9.799 5.690 662 HA ALA 85 HA ALA 85 4.155 -10.946 7.639 663 1HB ALA 85 1HB ALA 85 2.007 -8.970 8.022 664 2HB ALA 85 2HB ALA 85 3.446 -9.289 8.991 665 3HB ALA 85 3HB ALA 85 2.025 -10.320 9.157 666 H ARG 86 H ARG 86 0.628 -10.839 7.493 667 HA ARG 86 HA ARG 86 0.570 -13.683 6.775 668 1HB ARG 86 2HB ARG 86 0.480 -13.692 9.185 669 2HB ARG 86 1HB ARG 86 -0.775 -12.462 9.189 670 1HG ARG 86 2HG ARG 86 -2.384 -13.979 8.986 671 2HG ARG 86 1HG ARG 86 -1.567 -14.768 7.636 672 1HD ARG 86 2HD ARG 86 -0.571 -16.315 8.965 673 2HD ARG 86 1HD ARG 86 -0.413 -15.203 10.324 674 HE ARG 86 HE ARG 86 -2.598 -16.996 9.791 675 1HH1 ARG 86 2HH1 ARG 86 -1.629 -14.067 11.423 676 2HH1 ARG 86 1HH1 ARG 86 -2.893 -14.159 12.603 677 1HH2 ARG 86 1HH2 ARG 86 -4.262 -17.117 11.341 678 2HH2 ARG 86 2HH2 ARG 86 -4.388 -15.889 12.556 679 H GLN 87 H GLN 87 -1.034 -10.595 6.976 680 HA GLN 87 HA GLN 87 -3.364 -11.588 5.548 681 1HB GLN 87 2HB GLN 87 -2.822 -8.755 6.436 682 2HB GLN 87 1HB GLN 87 -4.369 -9.465 5.996 683 1HG GLN 87 2HG GLN 87 -4.445 -10.755 7.977 684 2HG GLN 87 1HG GLN 87 -2.762 -10.390 8.359 685 1HE2 GLN 87 1HE2 GLN 87 -2.370 -7.909 8.432 686 2HE2 GLN 87 2HE2 GLN 87 -3.505 -7.024 9.388 687 H VAL 88 H VAL 88 -4.039 -9.438 4.021 688 HA VAL 88 HA VAL 88 -1.750 -8.998 2.241 689 HB VAL 88 HB VAL 88 -4.422 -9.690 1.068 690 1HG1 VAL 88 1HG1 VAL 88 -3.133 -10.207 -0.885 691 2HG1 VAL 88 2HG1 VAL 88 -1.623 -10.045 0.010 692 3HG1 VAL 88 3HG1 VAL 88 -2.626 -8.626 -0.292 693 1HG2 VAL 88 1HG2 VAL 88 -4.214 -11.709 2.079 694 2HG2 VAL 88 2HG2 VAL 88 -2.479 -11.525 2.337 695 3HG2 VAL 88 3HG2 VAL 88 -3.090 -12.004 0.752 696 H TRP 89 H TRP 89 -1.597 -6.973 1.545 697 HA TRP 89 HA TRP 89 -3.784 -5.138 2.171 698 1HB TRP 89 2HB TRP 89 -0.883 -4.662 1.496 699 2HB TRP 89 1HB TRP 89 -2.046 -3.372 1.780 700 HD1 TRP 89 HD1 TRP 89 -0.318 -6.276 3.650 701 HE1 TRP 89 HE1 TRP 89 -0.302 -5.715 6.162 702 HE3 TRP 89 HE3 TRP 89 -3.109 -1.995 3.538 703 HZ2 TRP 89 HZ2 TRP 89 -1.344 -3.715 7.872 704 HZ3 TRP 89 HZ3 TRP 89 -3.553 -0.819 5.651 705 HH2 TRP 89 HH2 TRP 89 -2.691 -1.661 7.772 706 H GLY 90 H GLY 90 -5.220 -5.150 0.518 707 1HA GLY 90 2HA GLY 90 -4.239 -5.032 -2.232 708 2HA GLY 90 1HA GLY 90 -5.895 -5.307 -1.741 709 H LEU 91 H LEU 91 -4.216 -3.259 -3.450 710 HA LEU 91 HA LEU 91 -5.546 -0.862 -2.370 711 1HB LEU 91 2HB LEU 91 -2.893 -1.308 -3.551 712 2HB LEU 91 1HB LEU 91 -3.721 0.116 -4.138 713 HG LEU 91 HG LEU 91 -2.187 0.536 -2.226 714 1HD1 LEU 91 1HD1 LEU 91 -4.247 1.904 -2.817 715 2HD1 LEU 91 2HD1 LEU 91 -3.580 2.108 -1.200 716 3HD1 LEU 91 3HD1 LEU 91 -5.020 1.119 -1.443 717 1HD2 LEU 91 1HD2 LEU 91 -2.868 -0.149 0.005 718 2HD2 LEU 91 2HD2 LEU 91 -2.576 -1.552 -1.022 719 3HD2 LEU 91 3HD2 LEU 91 -4.227 -1.044 -0.673 720 H ASN 92 H ASN 92 -7.352 -0.429 -3.453 721 HA ASN 92 HA ASN 92 -7.502 -1.067 -6.308 722 1HB ASN 92 2HB ASN 92 -9.388 -1.518 -4.554 723 2HB ASN 92 1HB ASN 92 -9.744 0.194 -4.758 724 1HD2 ASN 92 1HD2 ASN 92 -9.058 0.336 -7.552 725 2HD2 ASN 92 2HD2 ASN 92 -10.290 -0.518 -8.408 726 H PHE 93 H PHE 93 -6.707 0.409 -7.619 727 HA PHE 93 HA PHE 93 -6.618 3.196 -6.859 728 1HB PHE 93 2HB PHE 93 -5.673 1.905 -9.414 729 2HB PHE 93 1HB PHE 93 -5.230 3.488 -8.794 730 HD1 PHE 93 HD1 PHE 93 -3.576 3.729 -7.067 731 HD2 PHE 93 HD2 PHE 93 -4.827 -0.121 -8.359 732 HE1 PHE 93 HE1 PHE 93 -1.701 2.718 -5.850 733 HE2 PHE 93 HE2 PHE 93 -2.948 -1.135 -7.153 734 HZ PHE 93 HZ PHE 93 -1.383 0.280 -5.896 735 H GLY 94 H GLY 94 -7.255 4.904 -8.302 736 1HA GLY 94 2HA GLY 94 -9.949 4.470 -9.262 737 2HA GLY 94 1HA GLY 94 -9.089 6.002 -9.217 738 H SER 95 H SER 95 -6.782 4.809 -10.669 739 HA SER 95 HA SER 95 -7.892 4.170 -13.278 740 1HB SER 95 2HB SER 95 -6.373 6.015 -14.281 741 2HB SER 95 1HB SER 95 -7.917 6.498 -13.579 742 HG SER 95 HG SER 95 -6.743 7.004 -11.645 743 H LYS 96 H LYS 96 -5.893 4.095 -14.901 744 HA LYS 96 HA LYS 96 -4.171 2.072 -13.869 745 1HB LYS 96 2HB LYS 96 -5.001 2.178 -16.227 746 2HB LYS 96 1HB LYS 96 -3.936 3.552 -16.493 747 1HG LYS 96 2HG LYS 96 -2.343 1.515 -15.389 748 2HG LYS 96 1HG LYS 96 -3.352 0.757 -16.622 749 1HD LYS 96 2HD LYS 96 -1.766 1.473 -18.045 750 2HD LYS 96 1HD LYS 96 -2.576 3.033 -17.891 751 1HE LYS 96 2HE LYS 96 -1.004 3.316 -15.825 752 2HE LYS 96 1HE LYS 96 -0.046 2.072 -16.628 753 1HZ LYS 96 1HZ LYS 96 -0.913 4.298 -18.286 754 2HZ LYS 96 2HZ LYS 96 0.562 3.473 -18.267 755 3HZ LYS 96 3HZ LYS 96 0.243 4.661 -17.106 756 H GLU 97 H GLU 97 -3.892 5.509 -14.359 757 HA GLU 97 HA GLU 97 -1.088 5.732 -14.320 758 1HB GLU 97 2HB GLU 97 -3.280 7.652 -13.547 759 2HB GLU 97 1HB GLU 97 -1.579 8.094 -13.504 760 1HG GLU 97 2HG GLU 97 -1.374 7.699 -15.874 761 2HG GLU 97 1HG GLU 97 -3.038 7.123 -15.951 762 H ASP 98 H ASP 98 -3.425 6.252 -11.671 763 HA ASP 98 HA ASP 98 -1.626 6.656 -9.614 764 1HB ASP 98 2HB ASP 98 -4.332 5.312 -9.558 765 2HB ASP 98 1HB ASP 98 -3.438 5.767 -8.111 766 H ALA 99 H ALA 99 -3.147 3.563 -10.517 767 HA ALA 99 HA ALA 99 -1.748 1.937 -8.744 768 1HB ALA 99 1HB ALA 99 -3.765 1.399 -10.249 769 2HB ALA 99 2HB ALA 99 -2.594 0.121 -9.922 770 3HB ALA 99 3HB ALA 99 -2.556 0.978 -11.463 771 H ALA 100 H ALA 100 -0.761 3.323 -11.783 772 HA ALA 100 HA ALA 100 1.474 1.585 -12.196 773 1HB ALA 100 1HB ALA 100 2.066 3.027 -14.001 774 2HB ALA 100 2HB ALA 100 1.065 4.331 -13.361 775 3HB ALA 100 3HB ALA 100 0.309 2.872 -13.999 776 H GLN 101 H GLN 101 0.967 4.675 -10.610 777 HA GLN 101 HA GLN 101 3.756 5.215 -10.220 778 1HB GLN 101 2HB GLN 101 1.802 6.897 -10.290 779 2HB GLN 101 1HB GLN 101 1.521 6.434 -8.617 780 1HG GLN 101 2HG GLN 101 2.874 8.482 -8.866 781 2HG GLN 101 1HG GLN 101 3.692 7.201 -7.972 782 1HE2 GLN 101 1HE2 GLN 101 5.543 6.333 -8.764 783 2HE2 GLN 101 2HE2 GLN 101 6.342 6.901 -10.188 784 H PHE 102 H PHE 102 1.131 3.926 -8.224 785 HA PHE 102 HA PHE 102 2.433 3.794 -5.783 786 1HB PHE 102 2HB PHE 102 -0.016 3.234 -6.432 787 2HB PHE 102 1HB PHE 102 0.576 1.601 -6.663 788 HD1 PHE 102 HD1 PHE 102 0.101 0.203 -4.880 789 HD2 PHE 102 HD2 PHE 102 1.084 4.284 -4.131 790 HE1 PHE 102 HE1 PHE 102 -0.130 -0.180 -2.465 791 HE2 PHE 102 HE2 PHE 102 0.855 3.899 -1.717 792 HZ PHE 102 HZ PHE 102 0.248 1.664 -0.879 793 H ALA 103 H ALA 103 2.365 1.342 -8.369 794 HA ALA 103 HA ALA 103 4.018 -0.523 -7.038 795 1HB ALA 103 1HB ALA 103 2.956 -0.162 -9.757 796 2HB ALA 103 2HB ALA 103 3.034 -1.608 -8.749 797 3HB ALA 103 3HB ALA 103 4.457 -1.081 -9.647 798 H ALA 104 H ALA 104 4.680 2.229 -9.113 799 HA ALA 104 HA ALA 104 7.267 1.854 -9.896 800 1HB ALA 104 1HB ALA 104 6.263 4.470 -8.788 801 2HB ALA 104 2HB ALA 104 5.811 3.842 -10.374 802 3HB ALA 104 3HB ALA 104 7.498 4.221 -10.023 803 H GLY 105 H GLY 105 6.442 3.656 -6.926 804 1HA GLY 105 2HA GLY 105 9.062 3.576 -5.877 805 2HA GLY 105 1HA GLY 105 7.608 3.917 -4.958 806 H MET 106 H MET 106 6.189 1.657 -5.066 807 HA MET 106 HA MET 106 7.200 0.062 -3.085 808 1HB MET 106 2HB MET 106 4.879 -0.059 -3.738 809 2HB MET 106 1HB MET 106 5.314 -0.686 -5.323 810 1HG MET 106 2HG MET 106 4.673 -2.588 -4.232 811 2HG MET 106 1HG MET 106 6.410 -2.606 -3.967 812 1HE MET 106 1HE MET 106 6.031 -4.060 -0.836 813 2HE MET 106 2HE MET 106 5.785 -4.358 -2.557 814 3HE MET 106 3HE MET 106 4.401 -4.304 -1.464 815 H ALA 107 H ALA 107 7.131 -0.839 -6.527 816 HA ALA 107 HA ALA 107 8.600 -3.140 -6.467 817 1HB ALA 107 1HB ALA 107 8.692 -0.965 -8.557 818 2HB ALA 107 2HB ALA 107 7.599 -2.347 -8.514 819 3HB ALA 107 3HB ALA 107 9.325 -2.596 -8.777 820 H SER 108 H SER 108 9.743 0.157 -6.202 821 HA SER 108 HA SER 108 12.522 -0.458 -6.438 822 1HB SER 108 2HB SER 108 11.192 1.851 -6.610 823 2HB SER 108 1HB SER 108 11.619 1.936 -4.902 824 HG SER 108 HG SER 108 13.819 1.579 -5.568 825 H ALA 109 H ALA 109 10.199 -0.288 -3.819 826 HA ALA 109 HA ALA 109 12.071 -0.397 -1.678 827 1HB ALA 109 1HB ALA 109 9.155 -0.610 -1.988 828 2HB ALA 109 2HB ALA 109 10.107 0.233 -0.766 829 3HB ALA 109 3HB ALA 109 9.820 -1.504 -0.619 830 H LEU 110 H LEU 110 10.247 -2.810 -3.467 831 HA LEU 110 HA LEU 110 11.192 -5.036 -1.936 832 1HB LEU 110 2HB LEU 110 10.179 -5.513 -4.670 833 2HB LEU 110 1HB LEU 110 9.762 -6.304 -3.163 834 HG LEU 110 HG LEU 110 8.719 -3.650 -4.152 835 1HD1 LEU 110 1HD1 LEU 110 6.884 -4.706 -4.837 836 2HD1 LEU 110 2HD1 LEU 110 6.857 -5.778 -3.436 837 3HD1 LEU 110 3HD1 LEU 110 7.890 -6.155 -4.815 838 1HD2 LEU 110 1HD2 LEU 110 7.731 -3.243 -2.146 839 2HD2 LEU 110 2HD2 LEU 110 9.169 -4.088 -1.573 840 3HD2 LEU 110 3HD2 LEU 110 7.638 -4.950 -1.718 841 H GLU 111 H GLU 111 12.237 -3.351 -4.794 842 HA GLU 111 HA GLU 111 14.026 -5.383 -5.721 843 1HB GLU 111 2HB GLU 111 13.382 -2.580 -6.442 844 2HB GLU 111 1HB GLU 111 14.971 -3.176 -6.906 845 1HG GLU 111 2HG GLU 111 13.756 -5.157 -7.911 846 2HG GLU 111 1HG GLU 111 12.283 -4.212 -7.714 847 H ALA 112 H ALA 112 14.193 -2.820 -3.431 848 HA ALA 112 HA ALA 112 17.114 -3.083 -3.221 849 1HB ALA 112 1HB ALA 112 16.494 -1.111 -1.469 850 2HB ALA 112 2HB ALA 112 15.199 -0.915 -2.651 851 3HB ALA 112 3HB ALA 112 16.884 -0.835 -3.167 852 H LEU 113 H LEU 113 14.347 -4.351 -2.043 853 HA LEU 113 HA LEU 113 15.161 -4.604 0.725 854 1HB LEU 113 2HB LEU 113 12.748 -4.898 -0.867 855 2HB LEU 113 1HB LEU 113 12.960 -6.219 0.241 856 HG LEU 113 HG LEU 113 12.662 -3.299 0.890 857 1HD1 LEU 113 1HD1 LEU 113 10.903 -4.449 2.440 858 2HD1 LEU 113 2HD1 LEU 113 11.038 -5.765 1.275 859 3HD1 LEU 113 3HD1 LEU 113 10.546 -4.158 0.738 860 1HD2 LEU 113 1HD2 LEU 113 14.218 -3.744 2.488 861 2HD2 LEU 113 2HD2 LEU 113 13.891 -5.477 2.485 862 3HD2 LEU 113 3HD2 LEU 113 12.796 -4.375 3.317 863 H GLU 114 H GLU 114 14.704 -6.593 -2.162 864 HA GLU 114 HA GLU 114 15.877 -8.900 -0.798 865 1HB GLU 114 2HB GLU 114 14.824 -8.886 -3.616 866 2HB GLU 114 1HB GLU 114 15.003 -10.250 -2.522 867 1HG GLU 114 2HG GLU 114 13.246 -8.372 -1.318 868 2HG GLU 114 1HG GLU 114 12.727 -8.635 -2.981 869 H GLY 115 HN GLY 115 16.457 -6.629 -3.413 870 1HA GLY 115 2HA GLY 115 19.135 -7.837 -3.759 871 2HA GLY 115 1HA GLY 115 18.224 -7.144 -5.093 Start of MODEL 9 1 1H MET 1 1H MET 1 11.444 13.881 14.696 2 2H MET 1 2H MET 1 10.089 12.831 14.791 3 3H MET 1 3H MET 1 10.179 14.010 13.546 4 HA MET 1 HA MET 1 12.281 12.866 12.850 5 1HB MET 1 2HB MET 1 12.223 11.578 15.090 6 2HB MET 1 1HB MET 1 11.025 10.553 14.313 7 1HG MET 1 2HG MET 1 12.718 10.175 12.482 8 2HG MET 1 1HG MET 1 13.895 10.961 13.533 9 1HE MET 1 1HE MET 1 11.325 8.125 13.169 10 2HE MET 1 2HE MET 1 12.199 6.754 13.850 11 3HE MET 1 3HE MET 1 12.805 7.553 12.399 12 H SER 2 H SER 2 11.660 12.790 10.792 13 HA SER 2 HA SER 2 9.375 11.083 10.084 14 1HB SER 2 2HB SER 2 9.540 13.935 9.780 15 2HB SER 2 1HB SER 2 9.473 13.183 8.187 16 HG SER 2 HG SER 2 7.642 11.948 9.103 17 H GLU 3 H GLU 3 9.858 9.621 8.591 18 HA GLU 3 HA GLU 3 12.448 9.509 7.411 19 1HB GLU 3 2HB GLU 3 9.985 7.879 6.785 20 2HB GLU 3 1HB GLU 3 11.618 7.486 6.298 21 1HG GLU 3 2HG GLU 3 11.792 6.293 8.149 22 2HG GLU 3 1HG GLU 3 11.788 7.811 9.044 23 H THR 4 H THR 4 12.111 8.635 4.857 24 HA THR 4 HA THR 4 11.107 11.047 3.501 25 HB THR 4 HB THR 4 13.271 9.118 2.640 26 HG1 THR 4 HG1 THR 4 14.653 10.802 3.105 27 1HG2 THR 4 1HG2 THR 4 13.737 11.139 1.053 28 2HG2 THR 4 2HG2 THR 4 12.009 11.425 1.255 29 3HG2 THR 4 3HG2 THR 4 12.580 9.887 0.605 30 H VAL 5 H VAL 5 9.456 10.849 2.143 31 HA VAL 5 HA VAL 5 8.270 8.286 1.665 32 HB VAL 5 HB VAL 5 7.551 11.082 0.812 33 1HG1 VAL 5 1HG1 VAL 5 6.436 8.489 -0.149 34 2HG1 VAL 5 2HG1 VAL 5 6.722 9.987 -1.034 35 3HG1 VAL 5 3HG1 VAL 5 5.360 9.865 0.078 36 1HG2 VAL 5 1HG2 VAL 5 7.125 9.770 3.150 37 2HG2 VAL 5 2HG2 VAL 5 5.644 9.392 2.267 38 3HG2 VAL 5 3HG2 VAL 5 6.108 11.073 2.534 39 H ILE 6 H ILE 6 7.900 7.296 -0.390 40 HA ILE 6 HA ILE 6 9.976 7.975 -2.360 41 HB ILE 6 HB ILE 6 8.519 5.386 -2.494 42 1HG1 ILE 6 2HG1 ILE 6 10.461 6.184 -0.355 43 2HG1 ILE 6 1HG1 ILE 6 8.981 5.259 -0.214 44 1HG2 ILE 6 1HG2 ILE 6 10.256 6.242 -4.135 45 2HG2 ILE 6 2HG2 ILE 6 10.486 4.613 -3.500 46 3HG2 ILE 6 3HG2 ILE 6 11.442 5.951 -2.860 47 1HD1 ILE 6 1HD1 ILE 6 11.487 4.244 -1.527 48 2HD1 ILE 6 2HD1 ILE 6 10.021 3.328 -1.179 49 3HD1 ILE 6 3HD1 ILE 6 11.024 3.927 0.142 50 H CYS 7 H CYS 7 6.819 6.321 -2.527 51 HA CYS 7 HA CYS 7 6.269 7.859 -4.974 52 1HB CYS 7 2HB CYS 7 5.005 5.965 -5.769 53 2HB CYS 7 1HB CYS 7 6.600 5.417 -5.289 54 HG CYS 7 HG CYS 7 3.965 4.749 -3.813 55 H SER 8 H SER 8 3.776 7.745 -5.458 56 HA SER 8 HA SER 8 2.086 7.924 -3.136 57 1HB SER 8 2HB SER 8 1.982 10.157 -2.849 58 2HB SER 8 1HB SER 8 3.451 10.237 -3.819 59 HG SER 8 HG SER 8 0.773 10.538 -4.692 60 H SER 9 H SER 9 0.337 6.850 -3.839 61 HA SER 9 HA SER 9 -0.733 7.555 -6.492 62 1HB SER 9 2HB SER 9 0.345 5.387 -6.689 63 2HB SER 9 1HB SER 9 -0.546 4.787 -5.289 64 HG SER 9 HG SER 9 -1.818 5.752 -7.627 65 H ARG 10 H ARG 10 -2.991 7.348 -6.770 66 HA ARG 10 HA ARG 10 -4.502 7.686 -4.287 67 1HB ARG 10 2HB ARG 10 -4.719 9.399 -6.065 68 2HB ARG 10 1HB ARG 10 -5.343 8.169 -7.154 69 1HG ARG 10 2HG ARG 10 -7.391 8.207 -6.234 70 2HG ARG 10 1HG ARG 10 -6.766 8.403 -4.596 71 1HD ARG 10 2HD ARG 10 -6.318 10.766 -5.055 72 2HD ARG 10 1HD ARG 10 -6.945 10.567 -6.691 73 HE ARG 10 HE ARG 10 -8.469 10.829 -4.263 74 1HH1 ARG 10 2HH1 ARG 10 -8.500 9.681 -7.560 75 2HH1 ARG 10 1HH1 ARG 10 -10.223 9.764 -7.704 76 1HH2 ARG 10 1HH2 ARG 10 -10.735 10.939 -4.453 77 2HH2 ARG 10 2HH2 ARG 10 -11.492 10.478 -5.941 78 H ALA 11 H ALA 11 -5.920 6.185 -3.557 79 HA ALA 11 HA ALA 11 -7.337 4.378 -5.200 80 1HB ALA 11 1HB ALA 11 -6.160 2.287 -4.606 81 2HB ALA 11 2HB ALA 11 -4.887 3.246 -3.855 82 3HB ALA 11 3HB ALA 11 -5.171 3.367 -5.590 83 H THR 12 H THR 12 -8.533 2.757 -3.968 84 HA THR 12 HA THR 12 -9.112 3.715 -1.269 85 HB THR 12 HB THR 12 -10.597 1.691 -2.960 86 HG1 THR 12 HG1 THR 12 -12.053 3.450 -3.278 87 1HG2 THR 12 1HG2 THR 12 -11.836 3.244 -0.747 88 2HG2 THR 12 2HG2 THR 12 -10.918 1.785 -0.378 89 3HG2 THR 12 3HG2 THR 12 -12.316 1.699 -1.450 90 H VAL 13 H VAL 13 -7.235 2.863 -0.293 91 HA VAL 13 HA VAL 13 -6.104 0.433 -0.376 92 HB VAL 13 HB VAL 13 -6.670 2.002 2.136 93 1HG1 VAL 13 1HG1 VAL 13 -4.255 0.629 2.405 94 2HG1 VAL 13 2HG1 VAL 13 -5.390 -0.559 1.763 95 3HG1 VAL 13 3HG1 VAL 13 -5.766 0.304 3.254 96 1HG2 VAL 13 1HG2 VAL 13 -4.622 2.152 -0.019 97 2HG2 VAL 13 2HG2 VAL 13 -4.140 2.540 1.632 98 3HG2 VAL 13 3HG2 VAL 13 -5.436 3.448 0.855 99 H MET 14 H MET 14 -6.379 -1.579 0.362 100 HA MET 14 HA MET 14 -8.899 -2.272 1.707 101 1HB MET 14 2HB MET 14 -8.663 -2.777 -0.884 102 2HB MET 14 1HB MET 14 -7.696 -4.120 -0.322 103 1HG MET 14 2HG MET 14 -9.478 -5.279 0.316 104 2HG MET 14 1HG MET 14 -10.212 -3.884 1.103 105 1HE MET 14 1HE MET 14 -12.289 -3.868 0.791 106 2HE MET 14 2HE MET 14 -12.939 -5.078 -0.316 107 3HE MET 14 3HE MET 14 -13.145 -3.362 -0.666 108 H LEU 15 H LEU 15 -8.690 -4.778 2.321 109 HA LEU 15 HA LEU 15 -6.060 -5.637 3.063 110 1HB LEU 15 2HB LEU 15 -6.982 -3.861 4.796 111 2HB LEU 15 1HB LEU 15 -7.863 -5.245 5.406 112 HG LEU 15 HG LEU 15 -5.903 -6.357 6.069 113 1HD1 LEU 15 1HD1 LEU 15 -3.670 -4.954 5.425 114 2HD1 LEU 15 2HD1 LEU 15 -4.645 -4.738 3.973 115 3HD1 LEU 15 3HD1 LEU 15 -4.258 -6.361 4.543 116 1HD2 LEU 15 1HD2 LEU 15 -5.142 -3.502 6.537 117 2HD2 LEU 15 2HD2 LEU 15 -4.932 -4.892 7.603 118 3HD2 LEU 15 3HD2 LEU 15 -6.544 -4.230 7.321 119 H TYR 16 H TYR 16 -6.175 -7.709 2.581 120 HA TYR 16 HA TYR 16 -8.641 -9.122 2.480 121 1HB TYR 16 2HB TYR 16 -6.458 -9.450 1.086 122 2HB TYR 16 1HB TYR 16 -5.997 -10.513 2.409 123 HD1 TYR 16 HD1 TYR 16 -7.041 -12.639 2.712 124 HD2 TYR 16 HD2 TYR 16 -8.410 -9.985 -0.315 125 HE1 TYR 16 HE1 TYR 16 -8.356 -14.462 1.727 126 HE2 TYR 16 HE2 TYR 16 -9.734 -11.794 -1.321 127 HH TYR 16 HH TYR 16 -9.612 -14.372 -1.339 128 H ASP 17 H ASP 17 -9.313 -10.899 3.616 129 HA ASP 17 HA ASP 17 -8.050 -11.319 6.244 130 1HB ASP 17 2HB ASP 17 -10.487 -10.167 5.918 131 2HB ASP 17 1HB ASP 17 -10.949 -11.865 6.005 132 H ASP 18 H ASP 18 -6.881 -13.094 5.428 133 HA ASP 18 HA ASP 18 -7.760 -15.186 3.889 134 1HB ASP 18 2HB ASP 18 -5.992 -16.532 4.908 135 2HB ASP 18 1HB ASP 18 -5.426 -14.894 4.597 136 H GLY 19 H GLY 19 -8.626 -14.476 7.153 137 1HA GLY 19 2HA GLY 19 -9.324 -16.924 8.206 138 2HA GLY 19 1HA GLY 19 -10.190 -15.433 8.540 139 H ASN 20 H ASN 20 -11.361 -14.847 6.154 140 HA ASN 20 HA ASN 20 -13.013 -17.220 5.587 141 1HB ASN 20 2HB ASN 20 -13.908 -14.351 5.917 142 2HB ASN 20 1HB ASN 20 -14.936 -15.639 5.296 143 1HD2 ASN 20 1HD2 ASN 20 -12.850 -14.892 8.063 144 2HD2 ASN 20 2HD2 ASN 20 -13.865 -15.636 9.247 145 H LYS 21 H LYS 21 -10.681 -15.710 4.217 146 HA LYS 21 HA LYS 21 -10.040 -15.125 2.116 147 1HB LYS 21 2HB LYS 21 -11.783 -17.416 1.915 148 2HB LYS 21 1HB LYS 21 -11.889 -16.433 0.460 149 1HG LYS 21 2HG LYS 21 -9.598 -16.675 0.002 150 2HG LYS 21 1HG LYS 21 -9.257 -17.288 1.622 151 1HD LYS 21 2HD LYS 21 -11.206 -18.823 0.013 152 2HD LYS 21 1HD LYS 21 -9.527 -18.873 -0.529 153 1HE LYS 21 2HE LYS 21 -10.125 -19.303 2.359 154 2HE LYS 21 1HE LYS 21 -10.446 -20.611 1.221 155 1HZ LYS 21 1HZ LYS 21 -8.134 -20.461 0.484 156 2HZ LYS 21 2HZ LYS 21 -8.237 -20.811 2.136 157 3HZ LYS 21 3HZ LYS 21 -7.838 -19.248 1.627 158 H ARG 22 H ARG 22 -10.588 -12.925 2.237 159 HA ARG 22 HA ARG 22 -12.232 -11.937 0.218 160 1HB ARG 22 2HB ARG 22 -14.012 -10.868 1.676 161 2HB ARG 22 1HB ARG 22 -14.165 -12.601 1.416 162 1HG ARG 22 2HG ARG 22 -14.062 -13.012 3.590 163 2HG ARG 22 1HG ARG 22 -12.581 -12.065 3.761 164 1HD ARG 22 2HD ARG 22 -14.360 -11.168 5.166 165 2HD ARG 22 1HD ARG 22 -13.909 -10.018 3.908 166 HE ARG 22 HE ARG 22 -16.134 -11.703 3.209 167 1HH1 ARG 22 2HH1 ARG 22 -15.162 -8.734 4.765 168 2HH1 ARG 22 1HH1 ARG 22 -16.703 -7.974 4.556 169 1HH2 ARG 22 1HH2 ARG 22 -18.163 -10.704 2.933 170 2HH2 ARG 22 2HH2 ARG 22 -18.408 -9.093 3.518 171 H TRP 23 H TRP 23 -12.446 -9.559 0.282 172 HA TRP 23 HA TRP 23 -10.081 -8.381 1.442 173 1HB TRP 23 2HB TRP 23 -12.226 -7.421 -0.422 174 2HB TRP 23 1HB TRP 23 -11.153 -6.262 0.350 175 HD1 TRP 23 HD1 TRP 23 -11.445 -7.894 -2.777 176 HE1 TRP 23 HE1 TRP 23 -9.195 -8.218 -3.973 177 HE3 TRP 23 HE3 TRP 23 -8.324 -7.047 1.160 178 HZ2 TRP 23 HZ2 TRP 23 -6.452 -8.112 -3.331 179 HZ3 TRP 23 HZ3 TRP 23 -5.894 -7.165 0.786 180 HH2 TRP 23 HH2 TRP 23 -4.981 -7.685 -1.413 181 H LEU 24 H LEU 24 -10.350 -6.128 2.444 182 HA LEU 24 HA LEU 24 -12.723 -5.553 3.898 183 1HB LEU 24 2HB LEU 24 -10.724 -7.277 5.135 184 2HB LEU 24 1HB LEU 24 -11.048 -5.839 6.085 185 HG LEU 24 HG LEU 24 -13.126 -7.828 5.166 186 1HD1 LEU 24 1HD1 LEU 24 -12.587 -7.404 8.026 187 2HD1 LEU 24 2HD1 LEU 24 -11.319 -8.234 7.125 188 3HD1 LEU 24 3HD1 LEU 24 -12.959 -8.885 7.144 189 1HD2 LEU 24 1HD2 LEU 24 -14.119 -5.662 5.321 190 2HD2 LEU 24 2HD2 LEU 24 -13.316 -5.343 6.857 191 3HD2 LEU 24 3HD2 LEU 24 -14.578 -6.570 6.761 192 HA PRO 25 HA PRO 25 -10.878 -1.528 3.336 193 1HB PRO 25 2HB PRO 25 -12.453 -1.050 5.838 194 2HB PRO 25 1HB PRO 25 -12.341 -0.061 4.377 195 1HG PRO 25 2HG PRO 25 -14.463 -1.614 4.810 196 2HG PRO 25 1HG PRO 25 -13.786 -1.423 3.183 197 1HD PRO 25 2HD PRO 25 -13.646 -3.742 5.027 198 2HD PRO 25 1HD PRO 25 -13.601 -3.703 3.255 199 H ALA 26 H ALA 26 -8.729 -1.785 3.830 200 HA ALA 26 HA ALA 26 -7.569 -2.586 6.186 201 1HB ALA 26 1HB ALA 26 -5.719 -2.249 5.015 202 2HB ALA 26 2HB ALA 26 -5.963 -0.503 5.064 203 3HB ALA 26 3HB ALA 26 -6.686 -1.458 3.770 204 H GLY 27 H GLY 27 -8.701 0.628 5.312 205 1HA GLY 27 2HA GLY 27 -7.621 2.047 7.481 206 2HA GLY 27 1HA GLY 27 -9.035 2.527 6.555 207 H THR 28 H THR 28 -10.787 2.807 7.753 208 HA THR 28 HA THR 28 -11.126 1.122 10.145 209 HB THR 28 HB THR 28 -12.412 3.809 9.961 210 HG1 THR 28 HG1 THR 28 -9.718 3.385 10.737 211 1HG2 THR 28 1HG2 THR 28 -13.034 3.047 11.973 212 2HG2 THR 28 2HG2 THR 28 -11.428 3.596 12.455 213 3HG2 THR 28 3HG2 THR 28 -11.701 1.896 12.070 214 H GLY 29 H GLY 29 -13.170 3.306 8.223 215 1HA GLY 29 2HA GLY 29 -15.032 1.070 7.796 216 2HA GLY 29 1HA GLY 29 -15.631 2.567 8.493 217 HA PRO 30 HA PRO 30 -16.469 4.539 4.653 218 1HB PRO 30 2HB PRO 30 -14.206 6.424 5.160 219 2HB PRO 30 1HB PRO 30 -15.877 6.771 4.696 220 1HG PRO 30 2HG PRO 30 -15.067 7.125 7.207 221 2HG PRO 30 1HG PRO 30 -16.678 6.472 6.853 222 1HD PRO 30 2HD PRO 30 -14.244 5.078 7.851 223 2HD PRO 30 1HD PRO 30 -15.955 4.741 8.179 224 H GLN 31 H GLN 31 -15.543 5.075 2.507 225 HA GLN 31 HA GLN 31 -12.871 4.023 2.010 226 1HB GLN 31 2HB GLN 31 -15.403 2.763 1.079 227 2HB GLN 31 1HB GLN 31 -14.035 2.777 -0.024 228 1HG GLN 31 2HG GLN 31 -12.676 1.596 1.559 229 2HG GLN 31 1HG GLN 31 -13.940 1.701 2.782 230 1HE2 GLN 31 1HE2 GLN 31 -12.684 -0.065 0.172 231 2HE2 GLN 31 2HE2 GLN 31 -13.922 -1.266 0.075 232 H ALA 32 H ALA 32 -13.219 6.575 1.854 233 HA ALA 32 HA ALA 32 -14.020 7.350 -0.844 234 1HB ALA 32 1HB ALA 32 -13.341 8.871 1.648 235 2HB ALA 32 2HB ALA 32 -14.826 8.898 0.696 236 3HB ALA 32 3HB ALA 32 -13.369 9.675 0.077 237 H PHE 33 H PHE 33 -11.942 5.696 -1.039 238 HA PHE 33 HA PHE 33 -9.855 5.445 -1.898 239 1HB PHE 33 2HB PHE 33 -10.408 8.312 -2.610 240 2HB PHE 33 1HB PHE 33 -8.860 7.574 -2.983 241 HD1 PHE 33 HD1 PHE 33 -8.754 5.639 -4.512 242 HD2 PHE 33 HD2 PHE 33 -12.340 7.843 -3.902 243 HE1 PHE 33 HE1 PHE 33 -9.681 4.688 -6.578 244 HE2 PHE 33 HE2 PHE 33 -13.279 6.894 -5.969 245 HZ PHE 33 HZ PHE 33 -11.949 5.314 -7.312 246 H SER 34 H SER 34 -7.547 6.698 -1.846 247 HA SER 34 HA SER 34 -7.009 8.186 0.515 248 1HB SER 34 2HB SER 34 -5.458 6.034 1.232 249 2HB SER 34 1HB SER 34 -6.999 6.461 1.974 250 HG SER 34 HG SER 34 -7.809 4.709 1.168 251 H ARG 35 H ARG 35 -4.958 9.029 0.510 252 HA ARG 35 HA ARG 35 -3.408 8.527 -1.915 253 1HB ARG 35 2HB ARG 35 -4.037 10.866 -1.198 254 2HB ARG 35 1HB ARG 35 -2.953 10.664 0.172 255 1HG ARG 35 2HG ARG 35 -1.578 9.970 -2.238 256 2HG ARG 35 1HG ARG 35 -2.328 11.558 -2.416 257 1HD ARG 35 2HD ARG 35 -1.284 12.245 -0.282 258 2HD ARG 35 1HD ARG 35 -0.476 10.680 -0.203 259 HE ARG 35 HE ARG 35 1.071 11.473 -1.673 260 1HH1 ARG 35 2HH1 ARG 35 -1.805 13.428 -1.960 261 2HH1 ARG 35 1HH1 ARG 35 -1.089 14.540 -3.076 262 1HH2 ARG 35 1HH2 ARG 35 2.014 12.935 -3.143 263 2HH2 ARG 35 2HH2 ARG 35 1.079 14.260 -3.750 264 H VAL 36 H VAL 36 -2.319 6.639 -1.498 265 HA VAL 36 HA VAL 36 -0.765 6.438 0.955 266 HB VAL 36 HB VAL 36 -1.055 4.387 -1.239 267 1HG1 VAL 36 1HG1 VAL 36 -0.188 2.818 0.377 268 2HG1 VAL 36 2HG1 VAL 36 -0.116 4.077 1.610 269 3HG1 VAL 36 3HG1 VAL 36 0.945 4.159 0.206 270 1HG2 VAL 36 1HG2 VAL 36 -3.107 5.226 0.255 271 2HG2 VAL 36 2HG2 VAL 36 -2.406 4.056 1.372 272 3HG2 VAL 36 3HG2 VAL 36 -2.910 3.544 -0.238 273 H GLN 37 H GLN 37 1.406 6.168 1.057 274 HA GLN 37 HA GLN 37 2.992 6.535 -1.375 275 1HB GLN 37 2HB GLN 37 3.452 8.109 1.161 276 2HB GLN 37 1HB GLN 37 4.329 8.267 -0.352 277 1HG GLN 37 2HG GLN 37 2.046 8.881 -1.362 278 2HG GLN 37 1HG GLN 37 1.543 9.129 0.308 279 1HE2 GLN 37 1HE2 GLN 37 4.079 10.035 -1.987 280 2HE2 GLN 37 2HE2 GLN 37 4.285 11.644 -1.394 281 H ILE 38 H ILE 38 5.419 6.175 -0.796 282 HA ILE 38 HA ILE 38 5.514 3.967 1.152 283 HB ILE 38 HB ILE 38 7.078 4.370 -1.403 284 1HG1 ILE 38 2HG1 ILE 38 5.311 2.101 -0.464 285 2HG1 ILE 38 1HG1 ILE 38 4.781 3.400 -1.527 286 1HG2 ILE 38 1HG2 ILE 38 7.463 2.207 0.679 287 2HG2 ILE 38 2HG2 ILE 38 8.574 3.544 0.396 288 3HG2 ILE 38 3HG2 ILE 38 8.309 2.339 -0.862 289 1HD1 ILE 38 1HD1 ILE 38 7.024 2.467 -2.786 290 2HD1 ILE 38 2HD1 ILE 38 5.359 2.037 -3.183 291 3HD1 ILE 38 3HD1 ILE 38 6.306 1.003 -2.114 292 H TYR 39 H TYR 39 7.442 3.730 2.408 293 HA TYR 39 HA TYR 39 8.801 6.303 2.832 294 1HB TYR 39 2HB TYR 39 7.777 4.214 4.684 295 2HB TYR 39 1HB TYR 39 9.255 5.056 5.147 296 HD1 TYR 39 HD1 TYR 39 6.205 6.285 3.390 297 HD2 TYR 39 HD2 TYR 39 8.685 6.529 6.831 298 HE1 TYR 39 HE1 TYR 39 4.878 8.185 4.197 299 HE2 TYR 39 HE2 TYR 39 7.379 8.435 7.653 300 HH TYR 39 HH TYR 39 5.794 10.309 6.291 301 H HIS 40 H HIS 40 10.839 6.389 2.256 302 HA HIS 40 HA HIS 40 12.365 3.927 1.917 303 1HB HIS 40 2HB HIS 40 12.370 5.558 0.073 304 2HB HIS 40 1HB HIS 40 13.039 6.777 1.148 305 HD1 HIS 40 HD1 HIS 40 15.034 6.888 -0.613 306 HD2 HIS 40 HD2 HIS 40 14.705 3.337 1.520 307 HE1 HIS 40 HE1 HIS 40 17.235 5.711 -0.922 308 HE2 HIS 40 HE2 HIS 40 16.978 3.524 0.303 309 H ASN 41 H ASN 41 12.883 3.355 4.016 310 HA ASN 41 HA ASN 41 14.414 5.280 5.614 311 1HB ASN 41 2HB ASN 41 13.330 2.580 6.444 312 2HB ASN 41 1HB ASN 41 14.026 3.806 7.500 313 1HD2 ASN 41 1HD2 ASN 41 11.736 3.081 8.355 314 2HD2 ASN 41 2HD2 ASN 41 10.458 4.167 7.938 315 HA PRO 42 HA PRO 42 17.761 2.613 3.931 316 1HB PRO 42 2HB PRO 42 19.615 4.540 3.735 317 2HB PRO 42 1HB PRO 42 18.364 4.323 2.507 318 1HG PRO 42 2HG PRO 42 18.472 6.285 4.771 319 2HG PRO 42 1HG PRO 42 18.014 6.558 3.079 320 1HD PRO 42 2HD PRO 42 16.186 6.226 5.061 321 2HD PRO 42 1HD PRO 42 15.895 5.715 3.386 322 H THR 43 H THR 43 17.565 4.770 6.663 323 HA THR 43 HA THR 43 19.973 4.415 7.939 324 HB THR 43 HB THR 43 17.443 4.234 9.533 325 HG1 THR 43 HG1 THR 43 16.725 5.835 8.364 326 1HG2 THR 43 1HG2 THR 43 19.328 6.344 10.158 327 2HG2 THR 43 2HG2 THR 43 20.054 4.738 10.223 328 3HG2 THR 43 3HG2 THR 43 18.627 5.102 11.195 329 H ALA 44 H ALA 44 17.385 2.140 7.502 330 HA ALA 44 HA ALA 44 19.022 0.073 8.797 331 1HB ALA 44 1HB ALA 44 16.063 0.509 9.146 332 2HB ALA 44 2HB ALA 44 17.315 0.543 10.390 333 3HB ALA 44 3HB ALA 44 16.895 -0.978 9.603 334 H ASN 45 H ASN 45 17.968 1.090 5.959 335 HA ASN 45 HA ASN 45 17.558 0.152 3.933 336 1HB ASN 45 2HB ASN 45 19.318 -1.615 5.283 337 2HB ASN 45 1HB ASN 45 18.127 -2.617 4.460 338 1HD2 ASN 45 1HD2 ASN 45 17.601 -1.233 2.197 339 2HD2 ASN 45 2HD2 ASN 45 19.027 -1.096 1.232 340 H SER 46 H SER 46 15.365 0.535 5.391 341 HA SER 46 HA SER 46 13.735 -1.849 4.797 342 1HB SER 46 2HB SER 46 13.773 -1.900 7.136 343 2HB SER 46 1HB SER 46 13.745 -0.142 7.271 344 HG SER 46 HG SER 46 11.614 -1.834 6.467 345 H PHE 47 H PHE 47 11.406 -1.354 4.538 346 HA PHE 47 HA PHE 47 10.913 1.371 3.568 347 1HB PHE 47 2HB PHE 47 10.470 -1.208 2.082 348 2HB PHE 47 1HB PHE 47 9.566 0.245 1.684 349 HD1 PHE 47 HD1 PHE 47 10.981 2.374 1.254 350 HD2 PHE 47 HD2 PHE 47 12.508 -1.588 1.058 351 HE1 PHE 47 HE1 PHE 47 12.843 3.172 -0.140 352 HE2 PHE 47 HE2 PHE 47 14.376 -0.802 -0.342 353 HZ PHE 47 HZ PHE 47 14.546 1.581 -0.941 354 H ARG 48 H ARG 48 8.481 1.701 3.159 355 HA ARG 48 HA ARG 48 6.666 0.018 4.600 356 1HB ARG 48 2HB ARG 48 7.816 1.118 6.473 357 2HB ARG 48 1HB ARG 48 7.406 2.688 5.805 358 1HG ARG 48 2HG ARG 48 4.984 1.315 6.038 359 2HG ARG 48 1HG ARG 48 5.881 0.983 7.517 360 1HD ARG 48 2HD ARG 48 5.739 3.774 6.477 361 2HD ARG 48 1HD ARG 48 4.359 3.099 7.342 362 HE ARG 48 HE ARG 48 6.861 2.778 8.721 363 1HH1 ARG 48 2HH1 ARG 48 4.150 4.903 8.163 364 2HH1 ARG 48 1HH1 ARG 48 4.357 5.764 9.652 365 1HH2 ARG 48 1HH2 ARG 48 7.136 3.908 10.681 366 2HH2 ARG 48 2HH2 ARG 48 6.054 5.199 11.081 367 H VAL 49 H VAL 49 4.492 0.586 4.314 368 HA VAL 49 HA VAL 49 4.047 2.653 2.273 369 HB VAL 49 HB VAL 49 1.835 1.458 1.946 370 1HG1 VAL 49 1HG1 VAL 49 2.780 0.363 0.240 371 2HG1 VAL 49 2HG1 VAL 49 3.797 -0.607 1.305 372 3HG1 VAL 49 3HG1 VAL 49 4.301 1.018 0.843 373 1HG2 VAL 49 1HG2 VAL 49 1.494 -0.702 2.825 374 2HG2 VAL 49 2HG2 VAL 49 2.017 0.282 4.191 375 3HG2 VAL 49 3HG2 VAL 49 3.155 -0.813 3.408 376 H VAL 50 H VAL 50 2.879 4.420 2.755 377 HA VAL 50 HA VAL 50 1.158 4.363 5.135 378 HB VAL 50 HB VAL 50 2.672 6.871 4.623 379 1HG1 VAL 50 1HG1 VAL 50 1.585 5.430 7.026 380 2HG1 VAL 50 2HG1 VAL 50 1.068 6.974 6.346 381 3HG1 VAL 50 3HG1 VAL 50 2.629 6.845 7.157 382 1HG2 VAL 50 1HG2 VAL 50 3.881 4.432 5.916 383 2HG2 VAL 50 2HG2 VAL 50 4.524 6.064 6.085 384 3HG2 VAL 50 3HG2 VAL 50 4.476 5.294 4.498 385 H GLY 51 H GLY 51 -0.825 5.062 4.690 386 1HA GLY 51 2HA GLY 51 -1.183 7.209 2.735 387 2HA GLY 51 1HA GLY 51 -1.992 5.684 2.418 388 H ARG 52 H ARG 52 -3.033 8.410 2.967 389 HA ARG 52 HA ARG 52 -4.787 7.687 5.217 390 1HB ARG 52 2HB ARG 52 -4.935 10.085 5.787 391 2HB ARG 52 1HB ARG 52 -3.301 9.460 5.955 392 1HG ARG 52 2HG ARG 52 -2.744 10.422 3.749 393 2HG ARG 52 1HG ARG 52 -4.362 11.123 3.681 394 1HD ARG 52 2HD ARG 52 -3.108 12.882 4.499 395 2HD ARG 52 1HD ARG 52 -3.732 12.154 5.978 396 HE ARG 52 HE ARG 52 -1.362 10.909 5.657 397 1HH1 ARG 52 2HH1 ARG 52 -2.285 14.276 5.650 398 2HH1 ARG 52 1HH1 ARG 52 -0.762 14.823 6.265 399 1HH2 ARG 52 1HH2 ARG 52 0.642 11.628 6.466 400 2HH2 ARG 52 2HH2 ARG 52 0.900 13.321 6.728 401 H LYS 53 H LYS 53 -6.938 8.646 5.117 402 HA LYS 53 HA LYS 53 -8.101 8.351 2.561 403 1HB LYS 53 2HB LYS 53 -9.009 8.561 5.224 404 2HB LYS 53 1HB LYS 53 -9.813 9.842 4.327 405 1HG LYS 53 2HG LYS 53 -11.223 8.391 3.437 406 2HG LYS 53 1HG LYS 53 -9.887 7.436 2.791 407 1HD LYS 53 2HD LYS 53 -9.679 6.415 5.101 408 2HD LYS 53 1HD LYS 53 -11.223 7.183 5.476 409 1HE LYS 53 2HE LYS 53 -12.070 5.232 4.732 410 2HE LYS 53 1HE LYS 53 -11.845 5.979 3.151 411 1HZ LYS 53 1HZ LYS 53 -10.190 3.932 4.478 412 2HZ LYS 53 2HZ LYS 53 -9.528 4.914 3.272 413 3HZ LYS 53 3HZ LYS 53 -10.851 3.920 2.921 414 H MET 54 H MET 54 -9.683 10.114 1.729 415 HA MET 54 HA MET 54 -8.145 12.612 1.509 416 1HB MET 54 2HB MET 54 -10.215 11.545 -0.414 417 2HB MET 54 1HB MET 54 -9.147 12.919 -0.665 418 1HG MET 54 2HG MET 54 -7.545 10.662 -0.059 419 2HG MET 54 1HG MET 54 -8.713 10.192 -1.292 420 1HE MET 54 1HE MET 54 -6.637 9.836 -3.224 421 2HE MET 54 2HE MET 54 -5.762 9.999 -1.702 422 3HE MET 54 3HE MET 54 -5.259 10.931 -3.111 423 H GLN 55 H GLN 55 -9.660 12.450 3.737 424 HA GLN 55 HA GLN 55 -11.877 14.290 3.137 425 1HB GLN 55 2HB GLN 55 -12.875 13.243 5.335 426 2HB GLN 55 1HB GLN 55 -13.124 12.467 3.778 427 1HG GLN 55 2HG GLN 55 -11.587 10.780 4.234 428 2HG GLN 55 1HG GLN 55 -10.828 11.697 5.535 429 1HE2 GLN 55 1HE2 GLN 55 -12.091 8.981 5.378 430 2HE2 GLN 55 2HE2 GLN 55 -13.225 8.953 6.682 431 HA PRO 56 HA PRO 56 -10.309 17.280 5.944 432 1HB PRO 56 2HB PRO 56 -12.862 17.022 7.469 433 2HB PRO 56 1HB PRO 56 -12.063 18.472 6.849 434 1HG PRO 56 2HG PRO 56 -14.192 17.470 5.611 435 2HG PRO 56 1HG PRO 56 -12.832 18.130 4.685 436 1HD PRO 56 2HD PRO 56 -13.606 15.289 5.154 437 2HD PRO 56 1HD PRO 56 -12.866 16.039 3.725 438 H ASP 57 H ASP 57 -11.775 14.389 7.284 439 HA ASP 57 HA ASP 57 -10.800 14.671 9.925 440 1HB ASP 57 2HB ASP 57 -12.017 12.508 8.307 441 2HB ASP 57 1HB ASP 57 -11.044 11.993 9.682 442 H GLN 58 H GLN 58 -9.523 13.059 7.047 443 HA GLN 58 HA GLN 58 -7.453 12.280 6.521 444 1HB GLN 58 2HB GLN 58 -6.898 14.434 8.501 445 2HB GLN 58 1HB GLN 58 -5.576 13.354 8.081 446 1HG GLN 58 2HG GLN 58 -5.192 14.713 6.371 447 2HG GLN 58 1HG GLN 58 -6.636 14.023 5.634 448 1HE2 GLN 58 1HE2 GLN 58 -6.952 15.995 4.527 449 2HE2 GLN 58 2HE2 GLN 58 -7.623 17.370 5.330 450 H GLN 59 H GLN 59 -7.534 10.151 7.009 451 HA GLN 59 HA GLN 59 -6.395 9.354 9.594 452 1HB GLN 59 2HB GLN 59 -8.001 7.542 9.819 453 2HB GLN 59 1HB GLN 59 -8.844 9.082 9.721 454 1HG GLN 59 2HG GLN 59 -9.147 8.598 7.254 455 2HG GLN 59 1HG GLN 59 -8.605 6.960 7.615 456 1HE2 GLN 59 1HE2 GLN 59 -10.188 5.581 7.896 457 2HE2 GLN 59 2HE2 GLN 59 -11.752 5.930 8.542 458 H VAL 60 H VAL 60 -4.846 7.828 9.439 459 HA VAL 60 HA VAL 60 -3.921 7.043 6.867 460 HB VAL 60 HB VAL 60 -2.165 5.858 7.989 461 1HG1 VAL 60 1HG1 VAL 60 -2.382 8.055 9.924 462 2HG1 VAL 60 2HG1 VAL 60 -2.601 8.523 8.237 463 3HG1 VAL 60 3HG1 VAL 60 -1.123 7.701 8.741 464 1HG2 VAL 60 1HG2 VAL 60 -3.188 4.606 9.675 465 2HG2 VAL 60 2HG2 VAL 60 -3.966 6.021 10.384 466 3HG2 VAL 60 3HG2 VAL 60 -2.226 5.791 10.559 467 H VAL 61 H VAL 61 -4.610 5.426 5.657 468 HA VAL 61 HA VAL 61 -6.283 3.354 6.847 469 HB VAL 61 HB VAL 61 -7.007 2.816 4.640 470 1HG1 VAL 61 1HG1 VAL 61 -8.342 4.584 4.840 471 2HG1 VAL 61 2HG1 VAL 61 -7.187 5.487 3.856 472 3HG1 VAL 61 3HG1 VAL 61 -7.072 5.531 5.617 473 1HG2 VAL 61 1HG2 VAL 61 -4.980 2.808 3.403 474 2HG2 VAL 61 2HG2 VAL 61 -4.711 4.525 3.706 475 3HG2 VAL 61 3HG2 VAL 61 -6.028 4.012 2.651 476 H ILE 62 H ILE 62 -3.105 3.803 5.599 477 HA ILE 62 HA ILE 62 -2.554 0.955 6.015 478 HB ILE 62 HB ILE 62 -2.803 1.351 3.566 479 1HG1 ILE 62 2HG1 ILE 62 0.097 0.800 4.069 480 2HG1 ILE 62 1HG1 ILE 62 -1.115 -0.279 4.752 481 1HG2 ILE 62 1HG2 ILE 62 -0.282 2.977 3.748 482 2HG2 ILE 62 2HG2 ILE 62 -1.888 3.708 3.700 483 3HG2 ILE 62 3HG2 ILE 62 -1.327 2.724 2.350 484 1HD1 ILE 62 1HD1 ILE 62 -1.939 -0.054 2.159 485 2HD1 ILE 62 2HD1 ILE 62 -0.956 -1.364 2.814 486 3HD1 ILE 62 3HD1 ILE 62 -0.183 0.001 2.007 487 H ASN 63 H ASN 63 -0.715 0.583 7.126 488 HA ASN 63 HA ASN 63 1.458 2.462 7.149 489 1HB ASN 63 2HB ASN 63 1.362 2.957 9.553 490 2HB ASN 63 1HB ASN 63 -0.072 3.550 8.727 491 1HD2 ASN 63 1HD2 ASN 63 -2.047 2.522 9.058 492 2HD2 ASN 63 2HD2 ASN 63 -2.315 1.474 10.405 493 H CYS 64 H CYS 64 1.954 0.170 6.266 494 HA CYS 64 HA CYS 64 3.041 -1.428 8.493 495 1HB CYS 64 2HB CYS 64 1.076 -2.445 7.177 496 2HB CYS 64 1HB CYS 64 2.224 -2.625 5.855 497 HG CYS 64 HG CYS 64 2.366 -4.173 8.539 498 H ALA 65 H ALA 65 5.126 -2.126 8.321 499 HA ALA 65 HA ALA 65 6.735 -0.860 6.266 500 1HB ALA 65 1HB ALA 65 8.649 -1.643 7.600 501 2HB ALA 65 2HB ALA 65 7.533 -2.473 8.684 502 3HB ALA 65 3HB ALA 65 7.496 -0.715 8.557 503 H ILE 66 H ILE 66 8.199 -1.949 4.908 504 HA ILE 66 HA ILE 66 7.739 -4.839 4.591 505 HB ILE 66 HB ILE 66 8.282 -4.040 2.021 506 1HG1 ILE 66 2HG1 ILE 66 6.167 -2.117 2.956 507 2HG1 ILE 66 1HG1 ILE 66 7.865 -1.649 2.927 508 1HG2 ILE 66 1HG2 ILE 66 6.603 -5.681 2.871 509 2HG2 ILE 66 2HG2 ILE 66 6.038 -4.686 1.528 510 3HG2 ILE 66 3HG2 ILE 66 5.513 -4.328 3.173 511 1HD1 ILE 66 1HD1 ILE 66 7.341 -2.816 0.439 512 2HD1 ILE 66 2HD1 ILE 66 7.619 -1.111 0.800 513 3HD1 ILE 66 3HD1 ILE 66 5.976 -1.753 0.786 514 H VAL 67 H VAL 67 9.510 -6.059 4.042 515 HA VAL 67 HA VAL 67 11.977 -4.756 3.266 516 HB VAL 67 HB VAL 67 13.275 -5.883 5.083 517 1HG1 VAL 67 1HG1 VAL 67 12.480 -3.425 4.995 518 2HG1 VAL 67 2HG1 VAL 67 13.120 -4.058 6.512 519 3HG1 VAL 67 3HG1 VAL 67 11.378 -3.904 6.286 520 1HG2 VAL 67 1HG2 VAL 67 11.060 -5.920 6.962 521 2HG2 VAL 67 2HG2 VAL 67 12.310 -7.128 6.665 522 3HG2 VAL 67 3HG2 VAL 67 10.858 -7.098 5.665 523 H ARG 68 H ARG 68 12.538 -5.905 1.599 524 HA ARG 68 HA ARG 68 12.540 -7.715 0.120 525 1HB ARG 68 2HB ARG 68 14.475 -9.061 0.623 526 2HB ARG 68 1HB ARG 68 14.777 -7.408 1.140 527 1HG ARG 68 2HG ARG 68 13.700 -8.610 3.382 528 2HG ARG 68 1HG ARG 68 14.731 -9.858 2.683 529 1HD ARG 68 2HD ARG 68 16.083 -7.334 2.598 530 2HD ARG 68 1HD ARG 68 15.496 -7.635 4.233 531 HE ARG 68 HE ARG 68 17.058 -9.287 4.445 532 1HH1 ARG 68 2HH1 ARG 68 16.667 -8.552 1.056 533 2HH1 ARG 68 1HH1 ARG 68 17.978 -9.567 0.556 534 1HH2 ARG 68 1HH2 ARG 68 18.784 -10.622 3.790 535 2HH2 ARG 68 2HH2 ARG 68 19.179 -10.743 2.108 536 H GLY 69 H GLY 69 10.200 -8.103 1.438 537 1HA GLY 69 2HA GLY 69 10.165 -11.023 1.672 538 2HA GLY 69 1HA GLY 69 9.518 -10.087 3.009 539 H VAL 70 H VAL 70 8.442 -8.024 1.111 540 HA VAL 70 HA VAL 70 6.040 -9.536 0.402 541 HB VAL 70 HB VAL 70 6.561 -6.691 1.135 542 1HG1 VAL 70 1HG1 VAL 70 4.535 -7.603 -0.830 543 2HG1 VAL 70 2HG1 VAL 70 5.388 -6.065 -0.713 544 3HG1 VAL 70 3HG1 VAL 70 4.045 -6.415 0.376 545 1HG2 VAL 70 1HG2 VAL 70 4.070 -8.110 1.823 546 2HG2 VAL 70 2HG2 VAL 70 5.114 -7.092 2.819 547 3HG2 VAL 70 3HG2 VAL 70 5.562 -8.769 2.499 548 H LYS 71 H LYS 71 5.227 -9.618 -1.613 549 HA LYS 71 HA LYS 71 6.698 -8.236 -3.757 550 1HB LYS 71 2HB LYS 71 7.141 -10.760 -3.500 551 2HB LYS 71 1HB LYS 71 5.499 -10.978 -4.090 552 1HG LYS 71 2HG LYS 71 6.908 -9.173 -5.811 553 2HG LYS 71 1HG LYS 71 7.847 -10.651 -5.591 554 1HD LYS 71 2HD LYS 71 4.917 -10.697 -6.268 555 2HD LYS 71 1HD LYS 71 6.168 -10.615 -7.510 556 1HE LYS 71 2HE LYS 71 7.127 -12.696 -6.723 557 2HE LYS 71 1HE LYS 71 5.965 -12.759 -5.398 558 1HZ LYS 71 1HZ LYS 71 4.185 -12.889 -7.073 559 2HZ LYS 71 2HZ LYS 71 5.251 -14.198 -7.161 560 3HZ LYS 71 3HZ LYS 71 5.352 -12.950 -8.298 561 H TYR 72 H TYR 72 5.355 -6.767 -4.567 562 HA TYR 72 HA TYR 72 2.622 -6.614 -4.279 563 1HB TYR 72 2HB TYR 72 4.629 -5.366 -6.036 564 2HB TYR 72 1HB TYR 72 2.992 -5.348 -6.676 565 HD1 TYR 72 HD1 TYR 72 2.969 -2.885 -6.546 566 HD2 TYR 72 HD2 TYR 72 3.478 -5.286 -3.069 567 HE1 TYR 72 HE1 TYR 72 2.459 -0.937 -5.133 568 HE2 TYR 72 HE2 TYR 72 2.970 -3.354 -1.648 569 HH TYR 72 HH TYR 72 3.206 -0.461 -2.321 570 H ASN 73 H ASN 73 0.885 -7.488 -5.219 571 HA ASN 73 HA ASN 73 1.298 -9.186 -7.592 572 1HB ASN 73 2HB ASN 73 0.379 -9.939 -5.001 573 2HB ASN 73 1HB ASN 73 -0.978 -10.081 -6.114 574 1HD2 ASN 73 1HD2 ASN 73 -0.287 -11.113 -8.282 575 2HD2 ASN 73 2HD2 ASN 73 0.655 -12.554 -8.140 576 H GLN 74 H GLN 74 0.551 -7.804 -9.137 577 HA GLN 74 HA GLN 74 -1.702 -6.124 -8.843 578 1HB GLN 74 2HB GLN 74 0.184 -5.899 -10.532 579 2HB GLN 74 1HB GLN 74 -0.615 -7.162 -11.458 580 1HG GLN 74 2HG GLN 74 -2.524 -5.153 -10.784 581 2HG GLN 74 1HG GLN 74 -1.103 -4.389 -11.494 582 1HE2 GLN 74 1HE2 GLN 74 -3.459 -6.967 -11.993 583 2HE2 GLN 74 2HE2 GLN 74 -3.425 -6.911 -13.719 584 H ALA 75 H ALA 75 -3.628 -6.990 -8.356 585 HA ALA 75 HA ALA 75 -4.512 -9.517 -9.357 586 1HB ALA 75 1HB ALA 75 -6.161 -9.344 -7.836 587 2HB ALA 75 2HB ALA 75 -6.545 -7.682 -8.288 588 3HB ALA 75 3HB ALA 75 -5.189 -8.013 -7.210 589 H THR 76 H THR 76 -5.028 -6.161 -10.238 590 HA THR 76 HA THR 76 -6.136 -7.000 -12.787 591 HB THR 76 HB THR 76 -8.199 -5.957 -12.630 592 HG1 THR 76 HG1 THR 76 -7.027 -4.401 -10.594 593 1HG2 THR 76 1HG2 THR 76 -7.647 -6.876 -9.824 594 2HG2 THR 76 2HG2 THR 76 -8.376 -7.802 -11.136 595 3HG2 THR 76 3HG2 THR 76 -9.242 -6.435 -10.434 596 HA PRO 77 HA PRO 77 -4.214 -3.504 -14.657 597 1HB PRO 77 2HB PRO 77 -6.845 -2.166 -15.092 598 2HB PRO 77 1HB PRO 77 -5.548 -2.501 -16.247 599 1HG PRO 77 2HG PRO 77 -7.756 -3.978 -16.243 600 2HG PRO 77 1HG PRO 77 -6.167 -4.726 -16.497 601 1HD PRO 77 2HD PRO 77 -7.899 -4.730 -14.067 602 2HD PRO 77 1HD PRO 77 -6.852 -6.013 -14.707 603 H ASN 78 H ASN 78 -6.637 -2.845 -12.229 604 HA ASN 78 HA ASN 78 -4.998 -0.629 -11.251 605 1HB ASN 78 2HB ASN 78 -7.078 0.692 -10.785 606 2HB ASN 78 1HB ASN 78 -6.711 0.507 -12.497 607 1HD2 ASN 78 1HD2 ASN 78 -9.160 0.590 -10.431 608 2HD2 ASN 78 2HD2 ASN 78 -10.280 -0.470 -11.209 609 H PHE 79 H PHE 79 -4.472 -2.563 -9.861 610 HA PHE 79 HA PHE 79 -5.678 -2.259 -7.333 611 1HB PHE 79 2HB PHE 79 -7.335 -3.738 -8.755 612 2HB PHE 79 1HB PHE 79 -6.192 -5.019 -8.363 613 HD1 PHE 79 HD1 PHE 79 -8.900 -2.980 -7.184 614 HD2 PHE 79 HD2 PHE 79 -5.725 -5.530 -5.952 615 HE1 PHE 79 HE1 PHE 79 -9.983 -3.262 -4.993 616 HE2 PHE 79 HE2 PHE 79 -6.803 -5.820 -3.759 617 HZ PHE 79 HZ PHE 79 -8.935 -4.684 -3.277 618 H HIS 80 H HIS 80 -4.179 -2.743 -5.864 619 HA HIS 80 HA HIS 80 -2.031 -4.603 -6.633 620 1HB HIS 80 2HB HIS 80 -1.939 -2.037 -5.074 621 2HB HIS 80 1HB HIS 80 -0.658 -3.239 -4.941 622 HD1 HIS 80 HD1 HIS 80 0.700 -1.070 -5.971 623 HD2 HIS 80 HD2 HIS 80 -1.835 -3.140 -8.525 624 HE1 HIS 80 HE1 HIS 80 1.394 -0.406 -8.289 625 HE2 HIS 80 HE2 HIS 80 -0.067 -1.769 -9.819 626 H GLN 81 H GLN 81 -1.248 -6.045 -5.080 627 HA GLN 81 HA GLN 81 -2.414 -6.087 -2.432 628 1HB GLN 81 2HB GLN 81 -4.195 -7.225 -3.450 629 2HB GLN 81 1HB GLN 81 -3.136 -8.083 -4.559 630 1HG GLN 81 2HG GLN 81 -2.783 -8.626 -1.677 631 2HG GLN 81 1HG GLN 81 -4.254 -9.230 -2.435 632 1HE2 GLN 81 1HE2 GLN 81 -3.510 -10.014 -4.859 633 2HE2 GLN 81 2HE2 GLN 81 -2.307 -11.251 -4.784 634 H TRP 82 H TRP 82 -1.129 -7.121 -0.970 635 HA TRP 82 HA TRP 82 0.947 -8.927 -1.922 636 1HB TRP 82 2HB TRP 82 2.661 -7.694 -0.546 637 2HB TRP 82 1HB TRP 82 2.169 -6.897 -2.026 638 HD1 TRP 82 HD1 TRP 82 2.433 -6.373 1.664 639 HE1 TRP 82 HE1 TRP 82 1.548 -4.039 2.279 640 HE3 TRP 82 HE3 TRP 82 0.155 -5.155 -2.765 641 HZ2 TRP 82 HZ2 TRP 82 0.079 -1.966 1.067 642 HZ3 TRP 82 HZ3 TRP 82 -0.959 -2.980 -2.944 643 HH2 TRP 82 HH2 TRP 82 -1.004 -1.418 -1.064 644 H ARG 83 H ARG 83 1.633 -10.406 -0.461 645 HA ARG 83 HA ARG 83 0.230 -10.440 2.123 646 1HB ARG 83 2HB ARG 83 -0.275 -12.394 0.815 647 2HB ARG 83 1HB ARG 83 1.424 -12.659 0.453 648 1HG ARG 83 2HG ARG 83 1.543 -14.025 2.189 649 2HG ARG 83 1HG ARG 83 1.207 -12.662 3.256 650 1HD ARG 83 2HD ARG 83 -0.423 -14.271 3.775 651 2HD ARG 83 1HD ARG 83 -1.249 -13.082 2.770 652 HE ARG 83 HE ARG 83 -0.453 -14.922 0.972 653 1HH1 ARG 83 2HH1 ARG 83 -2.166 -15.180 4.003 654 2HH1 ARG 83 1HH1 ARG 83 -3.059 -16.584 3.522 655 1HH2 ARG 83 1HH2 ARG 83 -1.628 -16.768 0.338 656 2HH2 ARG 83 2HH2 ARG 83 -2.754 -17.485 1.442 657 H ASP 84 H ASP 84 1.459 -9.659 3.718 658 HA ASP 84 HA ASP 84 4.355 -9.892 3.525 659 1HB ASP 84 2HB ASP 84 3.630 -7.699 4.043 660 2HB ASP 84 1HB ASP 84 2.531 -8.265 5.283 661 H ALA 85 H ALA 85 2.749 -9.769 6.632 662 HA ALA 85 HA ALA 85 4.293 -12.003 7.555 663 1HB ALA 85 1HB ALA 85 2.663 -11.532 9.623 664 2HB ALA 85 2HB ALA 85 2.497 -9.995 8.773 665 3HB ALA 85 3HB ALA 85 4.090 -10.553 9.282 666 H ARG 86 H ARG 86 0.800 -11.440 7.876 667 HA ARG 86 HA ARG 86 0.294 -14.179 6.964 668 1HB ARG 86 2HB ARG 86 0.435 -14.421 9.352 669 2HB ARG 86 1HB ARG 86 -0.625 -13.042 9.605 670 1HG ARG 86 2HG ARG 86 -2.478 -14.268 9.352 671 2HG ARG 86 1HG ARG 86 -1.820 -15.152 7.973 672 1HD ARG 86 2HD ARG 86 -1.678 -16.912 9.334 673 2HD ARG 86 1HD ARG 86 -0.331 -16.078 10.109 674 HE ARG 86 HE ARG 86 -2.986 -16.450 11.161 675 1HH1 ARG 86 2HH1 ARG 86 -0.065 -14.546 11.335 676 2HH1 ARG 86 1HH1 ARG 86 -0.360 -14.014 12.956 677 1HH2 ARG 86 1HH2 ARG 86 -3.375 -15.750 13.292 678 2HH2 ARG 86 2HH2 ARG 86 -2.239 -14.696 14.067 679 H GLN 87 H GLN 87 -0.511 -10.937 6.888 680 HA GLN 87 HA GLN 87 -3.254 -11.507 6.016 681 1HB GLN 87 2HB GLN 87 -3.849 -9.292 6.537 682 2HB GLN 87 1HB GLN 87 -2.834 -9.804 7.875 683 1HG GLN 87 2HG GLN 87 -1.866 -8.167 5.540 684 2HG GLN 87 1HG GLN 87 -2.405 -7.494 7.076 685 1HE2 GLN 87 1HE2 GLN 87 -1.318 -9.068 8.927 686 2HE2 GLN 87 2HE2 GLN 87 0.405 -9.053 8.828 687 H VAL 88 H VAL 88 -3.755 -9.326 4.495 688 HA VAL 88 HA VAL 88 -1.718 -9.223 2.411 689 HB VAL 88 HB VAL 88 -4.498 -9.626 1.442 690 1HG1 VAL 88 1HG1 VAL 88 -2.059 -10.893 0.302 691 2HG1 VAL 88 2HG1 VAL 88 -2.269 -9.149 0.146 692 3HG1 VAL 88 3HG1 VAL 88 -3.483 -10.246 -0.513 693 1HG2 VAL 88 1HG2 VAL 88 -4.330 -12.037 1.475 694 2HG2 VAL 88 2HG2 VAL 88 -4.199 -11.421 3.122 695 3HG2 VAL 88 3HG2 VAL 88 -2.754 -11.948 2.261 696 H TRP 89 H TRP 89 -1.417 -7.166 1.923 697 HA TRP 89 HA TRP 89 -3.479 -5.228 2.598 698 1HB TRP 89 2HB TRP 89 -0.556 -5.093 2.027 699 2HB TRP 89 1HB TRP 89 -1.527 -3.636 1.853 700 HD1 TRP 89 HD1 TRP 89 -0.070 -5.981 4.459 701 HE1 TRP 89 HE1 TRP 89 -0.392 -4.951 6.792 702 HE3 TRP 89 HE3 TRP 89 -3.120 -2.076 3.205 703 HZ2 TRP 89 HZ2 TRP 89 -1.765 -2.769 7.953 704 HZ3 TRP 89 HZ3 TRP 89 -3.890 -0.564 4.984 705 HH2 TRP 89 HH2 TRP 89 -3.233 -0.905 7.307 706 H GLY 90 H GLY 90 -4.971 -4.996 1.103 707 1HA GLY 90 2HA GLY 90 -4.133 -4.879 -1.727 708 2HA GLY 90 1HA GLY 90 -5.746 -5.278 -1.170 709 H LEU 91 H LEU 91 -5.672 -3.494 -3.088 710 HA LEU 91 HA LEU 91 -6.957 -1.261 -1.997 711 1HB LEU 91 2HB LEU 91 -5.427 0.518 -2.304 712 2HB LEU 91 1HB LEU 91 -4.626 -0.692 -1.324 713 HG LEU 91 HG LEU 91 -4.154 -0.783 -4.256 714 1HD1 LEU 91 1HD1 LEU 91 -3.059 1.324 -2.412 715 2HD1 LEU 91 2HD1 LEU 91 -3.927 1.552 -3.931 716 3HD1 LEU 91 3HD1 LEU 91 -2.299 0.875 -3.939 717 1HD2 LEU 91 1HD2 LEU 91 -2.817 -1.565 -1.738 718 2HD2 LEU 91 2HD2 LEU 91 -1.784 -1.102 -3.091 719 3HD2 LEU 91 3HD2 LEU 91 -2.937 -2.421 -3.273 720 H ASN 92 H ASN 92 -8.082 -0.174 -3.492 721 HA ASN 92 HA ASN 92 -7.726 -1.012 -6.289 722 1HB ASN 92 2HB ASN 92 -9.962 -1.270 -4.942 723 2HB ASN 92 1HB ASN 92 -10.156 0.442 -5.306 724 1HD2 ASN 92 1HD2 ASN 92 -9.295 0.742 -7.809 725 2HD2 ASN 92 2HD2 ASN 92 -10.203 -0.240 -8.902 726 H PHE 93 H PHE 93 -6.858 0.390 -7.660 727 HA PHE 93 HA PHE 93 -6.510 3.151 -6.869 728 1HB PHE 93 2HB PHE 93 -5.625 1.784 -9.409 729 2HB PHE 93 1HB PHE 93 -5.072 3.339 -8.802 730 HD1 PHE 93 HD1 PHE 93 -3.506 3.469 -6.949 731 HD2 PHE 93 HD2 PHE 93 -4.873 -0.277 -8.425 732 HE1 PHE 93 HE1 PHE 93 -1.707 2.332 -5.719 733 HE2 PHE 93 HE2 PHE 93 -3.077 -1.417 -7.204 734 HZ PHE 93 HZ PHE 93 -1.494 -0.117 -5.847 735 H GLY 94 H GLY 94 -6.942 4.931 -8.330 736 1HA GLY 94 2HA GLY 94 -9.653 4.826 -9.272 737 2HA GLY 94 1HA GLY 94 -8.579 6.215 -9.340 738 H SER 95 H SER 95 -6.512 4.606 -10.752 739 HA SER 95 HA SER 95 -7.675 3.787 -13.241 740 1HB SER 95 2HB SER 95 -6.690 6.545 -12.903 741 2HB SER 95 1HB SER 95 -6.043 5.700 -14.310 742 HG SER 95 HG SER 95 -8.205 5.260 -14.932 743 H LYS 96 H LYS 96 -5.883 3.371 -14.899 744 HA LYS 96 HA LYS 96 -3.993 1.643 -13.778 745 1HB LYS 96 2HB LYS 96 -3.069 1.444 -16.008 746 2HB LYS 96 1HB LYS 96 -4.824 1.491 -16.103 747 1HG LYS 96 2HG LYS 96 -4.370 2.944 -17.770 748 2HG LYS 96 1HG LYS 96 -4.330 4.090 -16.429 749 1HD LYS 96 2HD LYS 96 -1.968 4.068 -16.355 750 2HD LYS 96 1HD LYS 96 -1.874 2.646 -17.396 751 1HE LYS 96 2HE LYS 96 -3.231 5.040 -18.493 752 2HE LYS 96 1HE LYS 96 -1.482 5.131 -18.294 753 1HZ LYS 96 1HZ LYS 96 -3.046 3.267 -19.970 754 2HZ LYS 96 2HZ LYS 96 -1.453 2.917 -19.521 755 3HZ LYS 96 3HZ LYS 96 -1.789 4.302 -20.431 756 H GLU 97 H GLU 97 -3.863 5.052 -14.403 757 HA GLU 97 HA GLU 97 -1.045 5.341 -14.427 758 1HB GLU 97 2HB GLU 97 -1.436 7.694 -14.220 759 2HB GLU 97 1HB GLU 97 -2.678 7.032 -15.274 760 1HG GLU 97 2HG GLU 97 -4.195 6.967 -13.276 761 2HG GLU 97 1HG GLU 97 -2.962 7.879 -12.407 762 H ASP 98 H ASP 98 -3.463 5.770 -11.849 763 HA ASP 98 HA ASP 98 -1.672 6.476 -9.815 764 1HB ASP 98 2HB ASP 98 -4.438 5.368 -9.911 765 2HB ASP 98 1HB ASP 98 -3.578 5.285 -8.376 766 H ALA 99 H ALA 99 -3.120 3.315 -10.544 767 HA ALA 99 HA ALA 99 -1.714 1.799 -8.684 768 1HB ALA 99 1HB ALA 99 -2.501 -0.085 -9.799 769 2HB ALA 99 2HB ALA 99 -2.459 0.711 -11.373 770 3HB ALA 99 3HB ALA 99 -3.694 1.152 -10.194 771 H ALA 100 H ALA 100 -0.719 3.036 -11.792 772 HA ALA 100 HA ALA 100 1.550 1.331 -12.097 773 1HB ALA 100 1HB ALA 100 0.447 3.696 -13.481 774 2HB ALA 100 2HB ALA 100 1.032 2.166 -14.135 775 3HB ALA 100 3HB ALA 100 2.180 3.417 -13.656 776 H GLN 101 H GLN 101 0.955 4.398 -10.535 777 HA GLN 101 HA GLN 101 3.733 5.041 -10.176 778 1HB GLN 101 2HB GLN 101 1.819 6.705 -10.299 779 2HB GLN 101 1HB GLN 101 1.392 6.203 -8.669 780 1HG GLN 101 2HG GLN 101 2.696 8.232 -8.611 781 2HG GLN 101 1HG GLN 101 3.595 6.905 -7.877 782 1HE2 GLN 101 1HE2 GLN 101 5.478 6.230 -8.785 783 2HE2 GLN 101 2HE2 GLN 101 6.236 7.020 -10.123 784 H PHE 102 H PHE 102 1.142 3.739 -8.138 785 HA PHE 102 HA PHE 102 2.467 3.682 -5.708 786 1HB PHE 102 2HB PHE 102 0.022 3.083 -6.266 787 2HB PHE 102 1HB PHE 102 0.625 1.459 -6.553 788 HD1 PHE 102 HD1 PHE 102 -0.035 0.104 -4.791 789 HD2 PHE 102 HD2 PHE 102 1.457 4.012 -3.984 790 HE1 PHE 102 HE1 PHE 102 -0.155 -0.346 -2.378 791 HE2 PHE 102 HE2 PHE 102 1.337 3.563 -1.572 792 HZ PHE 102 HZ PHE 102 0.530 1.381 -0.764 793 H ALA 103 H ALA 103 2.469 1.221 -8.275 794 HA ALA 103 HA ALA 103 4.195 -0.562 -6.863 795 1HB ALA 103 1HB ALA 103 3.079 -1.764 -8.427 796 2HB ALA 103 2HB ALA 103 4.500 -1.368 -9.394 797 3HB ALA 103 3HB ALA 103 3.022 -0.424 -9.573 798 H ALA 104 H ALA 104 4.643 2.134 -9.012 799 HA ALA 104 HA ALA 104 7.162 1.790 -10.023 800 1HB ALA 104 1HB ALA 104 7.303 4.130 -10.254 801 2HB ALA 104 2HB ALA 104 6.278 4.413 -8.847 802 3HB ALA 104 3HB ALA 104 5.580 3.757 -10.328 803 H GLY 105 H GLY 105 6.518 3.562 -6.995 804 1HA GLY 105 2HA GLY 105 9.231 3.536 -6.160 805 2HA GLY 105 1HA GLY 105 7.846 3.908 -5.146 806 H MET 106 H MET 106 6.425 1.626 -5.132 807 HA MET 106 HA MET 106 7.575 0.082 -3.175 808 1HB MET 106 2HB MET 106 5.210 -0.037 -3.647 809 2HB MET 106 1HB MET 106 5.520 -0.697 -5.248 810 1HG MET 106 2HG MET 106 4.933 -2.565 -4.052 811 2HG MET 106 1HG MET 106 6.688 -2.610 -3.967 812 1HE MET 106 1HE MET 106 6.438 -4.061 -0.769 813 2HE MET 106 2HE MET 106 6.085 -4.341 -2.475 814 3HE MET 106 3HE MET 106 4.765 -4.183 -1.314 815 H ALA 107 H ALA 107 7.247 -0.886 -6.579 816 HA ALA 107 HA ALA 107 8.693 -3.198 -6.597 817 1HB ALA 107 1HB ALA 107 8.958 -2.942 -8.910 818 2HB ALA 107 2HB ALA 107 9.039 -1.184 -8.797 819 3HB ALA 107 3HB ALA 107 7.505 -2.015 -8.536 820 H SER 108 H SER 108 9.919 0.101 -6.577 821 HA SER 108 HA SER 108 12.656 -0.569 -6.947 822 1HB SER 108 2HB SER 108 11.295 1.767 -7.002 823 2HB SER 108 1HB SER 108 11.991 1.864 -5.385 824 HG SER 108 HG SER 108 14.045 1.353 -6.461 825 H ALA 109 H ALA 109 10.550 -0.219 -4.155 826 HA ALA 109 HA ALA 109 12.546 -0.336 -2.153 827 1HB ALA 109 1HB ALA 109 9.631 -0.445 -2.266 828 2HB ALA 109 2HB ALA 109 10.691 0.293 -1.066 829 3HB ALA 109 3HB ALA 109 10.317 -1.429 -0.970 830 H LEU 110 H LEU 110 10.409 -2.837 -3.488 831 HA LEU 110 HA LEU 110 11.495 -4.982 -2.021 832 1HB LEU 110 2HB LEU 110 10.322 -5.363 -4.750 833 2HB LEU 110 1HB LEU 110 10.183 -6.388 -3.337 834 HG LEU 110 HG LEU 110 8.854 -3.688 -3.564 835 1HD1 LEU 110 1HD1 LEU 110 7.269 -4.568 -4.828 836 2HD1 LEU 110 2HD1 LEU 110 7.001 -5.844 -3.642 837 3HD1 LEU 110 3HD1 LEU 110 8.188 -6.070 -4.927 838 1HD2 LEU 110 1HD2 LEU 110 7.559 -5.515 -1.810 839 2HD2 LEU 110 2HD2 LEU 110 8.324 -3.972 -1.431 840 3HD2 LEU 110 3HD2 LEU 110 9.273 -5.459 -1.393 841 H GLU 111 H GLU 111 12.683 -3.233 -4.698 842 HA GLU 111 HA GLU 111 14.465 -5.374 -5.561 843 1HB GLU 111 2HB GLU 111 13.637 -2.724 -6.648 844 2HB GLU 111 1HB GLU 111 15.176 -3.402 -7.156 845 1HG GLU 111 2HG GLU 111 13.825 -5.519 -7.669 846 2HG GLU 111 1HG GLU 111 12.420 -4.461 -7.585 847 H ALA 112 H ALA 112 14.483 -2.468 -3.695 848 HA ALA 112 HA ALA 112 17.413 -2.386 -3.642 849 1HB ALA 112 1HB ALA 112 15.275 -0.443 -3.144 850 2HB ALA 112 2HB ALA 112 16.928 -0.193 -3.707 851 3HB ALA 112 3HB ALA 112 16.602 -0.378 -1.982 852 H LEU 113 H LEU 113 15.061 -4.034 -2.178 853 HA LEU 113 HA LEU 113 16.361 -4.016 0.458 854 1HB LEU 113 2HB LEU 113 13.641 -3.870 -0.356 855 2HB LEU 113 1HB LEU 113 13.865 -5.390 0.461 856 HG LEU 113 HG LEU 113 13.101 -3.350 1.836 857 1HD1 LEU 113 1HD1 LEU 113 15.516 -4.498 3.110 858 2HD1 LEU 113 2HD1 LEU 113 14.294 -5.636 2.545 859 3HD1 LEU 113 3HD1 LEU 113 13.861 -4.383 3.707 860 1HD2 LEU 113 1HD2 LEU 113 15.268 -2.146 0.736 861 2HD2 LEU 113 2HD2 LEU 113 15.923 -2.666 2.287 862 3HD2 LEU 113 3HD2 LEU 113 14.493 -1.634 2.236 863 H GLU 114 H GLU 114 15.249 -5.968 -2.229 864 HA GLU 114 HA GLU 114 16.077 -8.450 -0.968 865 1HB GLU 114 2HB GLU 114 14.756 -7.729 -3.562 866 2HB GLU 114 1HB GLU 114 15.489 -9.314 -3.366 867 1HG GLU 114 2HG GLU 114 13.763 -8.576 -1.145 868 2HG GLU 114 1HG GLU 114 12.923 -8.624 -2.694 869 H GLY 115 HN GLY 115 17.210 -6.168 -3.377 870 1HA GLY 115 2HA GLY 115 19.608 -5.950 -3.684 871 2HA GLY 115 1HA GLY 115 19.734 -7.694 -3.513 Start of MODEL 10 1 1H MET 1 1H MET 1 16.407 12.796 12.228 2 2H MET 1 2H MET 1 17.485 13.790 11.337 3 3H MET 1 3H MET 1 17.051 12.240 10.740 4 HA MET 1 HA MET 1 15.122 14.408 11.199 5 1HB MET 1 2HB MET 1 17.040 14.852 9.529 6 2HB MET 1 1HB MET 1 16.286 13.610 8.540 7 1HG MET 1 2HG MET 1 14.592 14.940 7.919 8 2HG MET 1 1HG MET 1 14.469 15.702 9.503 9 1HE MET 1 1HE MET 1 14.407 18.482 7.406 10 2HE MET 1 2HE MET 1 15.183 18.925 8.926 11 3HE MET 1 3HE MET 1 13.927 17.687 8.904 12 H SER 2 H SER 2 13.263 14.030 9.614 13 HA SER 2 HA SER 2 12.035 11.588 10.188 14 1HB SER 2 2HB SER 2 10.241 12.314 8.822 15 2HB SER 2 1HB SER 2 10.946 13.794 9.473 16 HG SER 2 HG SER 2 11.857 14.227 7.532 17 H GLU 3 H GLU 3 10.915 10.579 7.932 18 HA GLU 3 HA GLU 3 13.162 9.147 6.761 19 1HB GLU 3 2HB GLU 3 10.269 8.595 6.166 20 2HB GLU 3 1HB GLU 3 11.629 7.491 6.108 21 1HG GLU 3 2HG GLU 3 10.655 6.790 8.032 22 2HG GLU 3 1HG GLU 3 11.744 8.014 8.681 23 H THR 4 H THR 4 12.211 8.387 4.331 24 HA THR 4 HA THR 4 11.837 10.906 2.856 25 HB THR 4 HB THR 4 13.733 8.660 2.142 26 HG1 THR 4 HG1 THR 4 14.130 11.308 3.050 27 1HG2 THR 4 1HG2 THR 4 14.479 10.547 0.470 28 2HG2 THR 4 2HG2 THR 4 12.779 11.001 0.593 29 3HG2 THR 4 3HG2 THR 4 13.222 9.383 0.050 30 H VAL 5 H VAL 5 9.834 10.729 2.054 31 HA VAL 5 HA VAL 5 8.508 8.332 1.469 32 HB VAL 5 HB VAL 5 8.009 11.155 0.535 33 1HG1 VAL 5 1HG1 VAL 5 6.699 8.632 -0.288 34 2HG1 VAL 5 2HG1 VAL 5 6.881 10.153 -1.162 35 3HG1 VAL 5 3HG1 VAL 5 5.648 9.995 0.089 36 1HG2 VAL 5 1HG2 VAL 5 7.624 10.029 2.973 37 2HG2 VAL 5 2HG2 VAL 5 6.061 9.733 2.210 38 3HG2 VAL 5 3HG2 VAL 5 6.684 11.379 2.337 39 H ILE 6 H ILE 6 8.079 7.265 -0.485 40 HA ILE 6 HA ILE 6 10.123 7.697 -2.536 41 HB ILE 6 HB ILE 6 8.279 5.362 -2.661 42 1HG1 ILE 6 2HG1 ILE 6 10.362 5.829 -0.553 43 2HG1 ILE 6 1HG1 ILE 6 8.762 5.131 -0.388 44 1HG2 ILE 6 1HG2 ILE 6 11.234 5.285 -3.014 45 2HG2 ILE 6 2HG2 ILE 6 10.242 6.069 -4.245 46 3HG2 ILE 6 3HG2 ILE 6 9.973 4.372 -3.843 47 1HD1 ILE 6 1HD1 ILE 6 9.829 3.257 -1.924 48 2HD1 ILE 6 2HD1 ILE 6 10.000 3.251 -0.169 49 3HD1 ILE 6 3HD1 ILE 6 11.309 3.859 -1.181 50 H CYS 7 H CYS 7 6.732 6.567 -2.672 51 HA CYS 7 HA CYS 7 6.283 8.474 -4.863 52 1HB CYS 7 2HB CYS 7 6.546 5.727 -5.215 53 2HB CYS 7 1HB CYS 7 4.807 5.994 -5.225 54 HG CYS 7 HG CYS 7 5.246 6.482 -7.600 55 H SER 8 H SER 8 3.744 8.118 -5.485 56 HA SER 8 HA SER 8 2.082 7.909 -3.114 57 1HB SER 8 2HB SER 8 1.327 10.127 -3.026 58 2HB SER 8 1HB SER 8 3.060 10.308 -3.289 59 HG SER 8 HG SER 8 0.964 10.573 -5.171 60 H SER 9 H SER 9 0.365 6.766 -3.758 61 HA SER 9 HA SER 9 -0.675 7.238 -6.479 62 1HB SER 9 2HB SER 9 -1.064 4.965 -6.769 63 2HB SER 9 1HB SER 9 0.444 4.960 -5.857 64 HG SER 9 HG SER 9 -0.980 4.779 -3.948 65 H ARG 10 H ARG 10 -2.966 6.820 -6.782 66 HA ARG 10 HA ARG 10 -4.544 7.523 -4.395 67 1HB ARG 10 2HB ARG 10 -4.663 9.177 -6.200 68 2HB ARG 10 1HB ARG 10 -5.163 7.929 -7.332 69 1HG ARG 10 2HG ARG 10 -7.124 7.584 -5.648 70 2HG ARG 10 1HG ARG 10 -6.703 9.218 -5.133 71 1HD ARG 10 2HD ARG 10 -6.902 8.832 -8.041 72 2HD ARG 10 1HD ARG 10 -8.414 8.635 -7.154 73 HE ARG 10 HE ARG 10 -7.438 10.950 -6.172 74 1HH1 ARG 10 2HH1 ARG 10 -7.963 9.794 -9.423 75 2HH1 ARG 10 1HH1 ARG 10 -8.260 11.373 -10.069 76 1HH2 ARG 10 1HH2 ARG 10 -7.830 13.026 -7.020 77 2HH2 ARG 10 2HH2 ARG 10 -8.184 13.208 -8.706 78 H ALA 11 H ALA 11 -5.704 5.913 -3.555 79 HA ALA 11 HA ALA 11 -7.280 4.152 -5.156 80 1HB ALA 11 1HB ALA 11 -5.332 2.937 -5.608 81 2HB ALA 11 2HB ALA 11 -6.077 2.063 -4.273 82 3HB ALA 11 3HB ALA 11 -4.715 3.141 -3.973 83 H THR 12 H THR 12 -7.786 2.103 -3.504 84 HA THR 12 HA THR 12 -8.484 3.357 -0.933 85 HB THR 12 HB THR 12 -10.198 1.284 -2.288 86 HG1 THR 12 HG1 THR 12 -11.250 2.813 -3.358 87 1HG2 THR 12 1HG2 THR 12 -11.961 2.113 -0.915 88 2HG2 THR 12 2HG2 THR 12 -10.946 3.426 -0.316 89 3HG2 THR 12 3HG2 THR 12 -10.575 1.756 0.116 90 H VAL 13 H VAL 13 -6.743 2.434 0.140 91 HA VAL 13 HA VAL 13 -5.683 -0.052 -0.003 92 HB VAL 13 HB VAL 13 -6.213 1.531 2.513 93 1HG1 VAL 13 1HG1 VAL 13 -4.340 -0.802 2.109 94 2HG1 VAL 13 2HG1 VAL 13 -5.823 -0.827 3.061 95 3HG1 VAL 13 3HG1 VAL 13 -4.468 0.183 3.566 96 1HG2 VAL 13 1HG2 VAL 13 -3.831 1.309 0.679 97 2HG2 VAL 13 2HG2 VAL 13 -3.805 2.123 2.241 98 3HG2 VAL 13 3HG2 VAL 13 -4.841 2.730 0.949 99 H MET 14 H MET 14 -6.013 -2.052 0.955 100 HA MET 14 HA MET 14 -8.601 -2.558 2.211 101 1HB MET 14 2HB MET 14 -8.590 -2.872 -0.395 102 2HB MET 14 1HB MET 14 -7.725 -4.347 -0.032 103 1HG MET 14 2HG MET 14 -9.586 -5.388 0.573 104 2HG MET 14 1HG MET 14 -10.064 -4.068 1.635 105 1HE MET 14 1HE MET 14 -12.978 -2.831 0.387 106 2HE MET 14 2HE MET 14 -12.117 -3.791 1.589 107 3HE MET 14 3HE MET 14 -13.113 -4.589 0.372 108 H LEU 15 H LEU 15 -8.750 -4.798 3.076 109 HA LEU 15 HA LEU 15 -6.142 -6.023 3.618 110 1HB LEU 15 2HB LEU 15 -7.935 -4.738 5.548 111 2HB LEU 15 1HB LEU 15 -7.486 -6.371 5.998 112 HG LEU 15 HG LEU 15 -5.690 -3.991 5.619 113 1HD1 LEU 15 1HD1 LEU 15 -6.548 -5.729 7.871 114 2HD1 LEU 15 2HD1 LEU 15 -6.332 -3.979 7.811 115 3HD1 LEU 15 3HD1 LEU 15 -4.925 -5.039 7.906 116 1HD2 LEU 15 1HD2 LEU 15 -3.862 -5.713 6.192 117 2HD2 LEU 15 2HD2 LEU 15 -4.425 -5.593 4.526 118 3HD2 LEU 15 3HD2 LEU 15 -5.003 -6.900 5.559 119 H TYR 16 H TYR 16 -6.305 -8.030 2.835 120 HA TYR 16 HA TYR 16 -8.835 -9.331 2.529 121 1HB TYR 16 2HB TYR 16 -6.722 -9.568 1.049 122 2HB TYR 16 1HB TYR 16 -6.200 -10.739 2.253 123 HD1 TYR 16 HD1 TYR 16 -7.220 -12.899 2.402 124 HD2 TYR 16 HD2 TYR 16 -8.727 -9.995 -0.316 125 HE1 TYR 16 HE1 TYR 16 -8.567 -14.638 1.308 126 HE2 TYR 16 HE2 TYR 16 -10.080 -11.721 -1.425 127 HH TYR 16 HH TYR 16 -11.022 -13.896 -0.971 128 H ASP 17 H ASP 17 -9.590 -11.182 3.492 129 HA ASP 17 HA ASP 17 -8.319 -11.896 6.055 130 1HB ASP 17 2HB ASP 17 -10.714 -10.721 5.893 131 2HB ASP 17 1HB ASP 17 -11.229 -12.386 5.638 132 H ASP 18 H ASP 18 -7.120 -13.591 5.176 133 HA ASP 18 HA ASP 18 -7.961 -15.536 3.408 134 1HB ASP 18 2HB ASP 18 -6.163 -16.936 4.297 135 2HB ASP 18 1HB ASP 18 -5.629 -15.266 4.132 136 H GLY 19 H GLY 19 -8.882 -15.109 6.698 137 1HA GLY 19 2HA GLY 19 -9.516 -17.669 7.529 138 2HA GLY 19 1HA GLY 19 -10.405 -16.228 8.002 139 H ASN 20 H ASN 20 -11.629 -15.423 5.742 140 HA ASN 20 HA ASN 20 -13.198 -17.763 4.878 141 1HB ASN 20 2HB ASN 20 -14.173 -15.041 5.736 142 2HB ASN 20 1HB ASN 20 -15.169 -16.151 4.800 143 1HD2 ASN 20 1HD2 ASN 20 -13.128 -16.138 7.703 144 2HD2 ASN 20 2HD2 ASN 20 -14.189 -17.110 8.659 145 H LYS 21 H LYS 21 -10.956 -16.029 3.692 146 HA LYS 21 HA LYS 21 -10.376 -15.117 1.693 147 1HB LYS 21 2HB LYS 21 -12.256 -17.301 1.119 148 2HB LYS 21 1HB LYS 21 -12.056 -16.151 -0.195 149 1HG LYS 21 2HG LYS 21 -9.655 -16.520 -0.178 150 2HG LYS 21 1HG LYS 21 -9.824 -17.632 1.182 151 1HD LYS 21 2HD LYS 21 -10.132 -19.295 -0.262 152 2HD LYS 21 1HD LYS 21 -11.618 -18.514 -0.805 153 1HE LYS 21 2HE LYS 21 -10.416 -17.287 -2.491 154 2HE LYS 21 1HE LYS 21 -8.873 -17.888 -1.883 155 1HZ LYS 21 1HZ LYS 21 -11.003 -19.422 -3.257 156 2HZ LYS 21 2HZ LYS 21 -9.730 -20.168 -2.431 157 3HZ LYS 21 3HZ LYS 21 -9.407 -19.177 -3.763 158 H ARG 22 H ARG 22 -10.904 -12.966 2.025 159 HA ARG 22 HA ARG 22 -12.687 -11.771 0.254 160 1HB ARG 22 2HB ARG 22 -14.331 -10.862 1.992 161 2HB ARG 22 1HB ARG 22 -14.553 -12.526 1.469 162 1HG ARG 22 2HG ARG 22 -14.153 -13.351 3.509 163 2HG ARG 22 1HG ARG 22 -12.820 -12.233 3.808 164 1HD ARG 22 2HD ARG 22 -14.524 -11.724 5.384 165 2HD ARG 22 1HD ARG 22 -14.539 -10.440 4.175 166 HE ARG 22 HE ARG 22 -16.388 -12.577 3.633 167 1HH1 ARG 22 2HH1 ARG 22 -15.919 -9.544 5.295 168 2HH1 ARG 22 1HH1 ARG 22 -17.608 -9.171 5.352 169 1HH2 ARG 22 1HH2 ARG 22 -18.611 -12.087 3.706 170 2HH2 ARG 22 2HH2 ARG 22 -19.137 -10.614 4.450 171 H TRP 23 H TRP 23 -12.650 -9.478 0.352 172 HA TRP 23 HA TRP 23 -10.301 -8.424 1.619 173 1HB TRP 23 2HB TRP 23 -12.418 -7.307 -0.186 174 2HB TRP 23 1HB TRP 23 -11.319 -6.218 0.645 175 HD1 TRP 23 HD1 TRP 23 -11.651 -7.673 -2.568 176 HE1 TRP 23 HE1 TRP 23 -9.407 -7.979 -3.782 177 HE3 TRP 23 HE3 TRP 23 -8.504 -7.117 1.407 178 HZ2 TRP 23 HZ2 TRP 23 -6.661 -7.976 -3.140 179 HZ3 TRP 23 HZ3 TRP 23 -6.081 -7.274 1.025 180 HH2 TRP 23 HH2 TRP 23 -5.178 -7.692 -1.202 181 H LEU 24 H LEU 24 -10.447 -6.294 2.819 182 HA LEU 24 HA LEU 24 -12.836 -5.775 4.321 183 1HB LEU 24 2HB LEU 24 -10.812 -7.547 5.395 184 2HB LEU 24 1HB LEU 24 -11.008 -6.130 6.407 185 HG LEU 24 HG LEU 24 -13.330 -7.845 5.545 186 1HD1 LEU 24 1HD1 LEU 24 -11.324 -8.813 7.067 187 2HD1 LEU 24 2HD1 LEU 24 -13.012 -9.294 7.234 188 3HD1 LEU 24 3HD1 LEU 24 -12.335 -8.066 8.303 189 1HD2 LEU 24 1HD2 LEU 24 -14.241 -5.873 6.287 190 2HD2 LEU 24 2HD2 LEU 24 -12.923 -5.563 7.418 191 3HD2 LEU 24 3HD2 LEU 24 -14.144 -6.779 7.797 192 HA PRO 25 HA PRO 25 -11.109 -1.694 3.952 193 1HB PRO 25 2HB PRO 25 -12.570 -1.339 6.537 194 2HB PRO 25 1HB PRO 25 -12.571 -0.316 5.095 195 1HG PRO 25 2HG PRO 25 -14.620 -1.930 5.602 196 2HG PRO 25 1HG PRO 25 -14.027 -1.711 3.946 197 1HD PRO 25 2HD PRO 25 -13.685 -4.022 5.791 198 2HD PRO 25 1HD PRO 25 -13.822 -3.997 4.021 199 H ALA 26 H ALA 26 -8.919 -2.174 4.358 200 HA ALA 26 HA ALA 26 -7.673 -2.915 6.666 201 1HB ALA 26 1HB ALA 26 -6.652 -2.450 4.389 202 2HB ALA 26 2HB ALA 26 -5.682 -2.017 5.796 203 3HB ALA 26 3HB ALA 26 -6.542 -0.766 4.901 204 H GLY 27 H GLY 27 -8.663 0.354 5.767 205 1HA GLY 27 2HA GLY 27 -7.516 1.766 7.876 206 2HA GLY 27 1HA GLY 27 -8.964 2.257 7.011 207 H THR 28 H THR 28 -10.809 2.346 8.124 208 HA THR 28 HA THR 28 -10.986 0.823 10.634 209 HB THR 28 HB THR 28 -10.614 3.024 11.372 210 HG1 THR 28 HG1 THR 28 -12.428 2.147 12.382 211 1HG2 THR 28 1HG2 THR 28 -12.754 4.146 9.606 212 2HG2 THR 28 2HG2 THR 28 -11.070 4.057 9.086 213 3HG2 THR 28 3HG2 THR 28 -11.504 4.995 10.515 214 H GLY 29 H GLY 29 -12.922 2.658 8.288 215 1HA GLY 29 2HA GLY 29 -14.761 0.458 8.001 216 2HA GLY 29 1HA GLY 29 -15.442 1.819 8.878 217 HA PRO 30 HA PRO 30 -16.789 3.903 5.248 218 1HB PRO 30 2HB PRO 30 -15.021 6.168 6.074 219 2HB PRO 30 1HB PRO 30 -16.723 6.187 5.596 220 1HG PRO 30 2HG PRO 30 -16.034 6.375 8.160 221 2HG PRO 30 1HG PRO 30 -17.448 5.426 7.665 222 1HD PRO 30 2HD PRO 30 -14.766 4.502 8.568 223 2HD PRO 30 1HD PRO 30 -16.355 3.742 8.782 224 H GLN 31 H GLN 31 -15.998 4.934 3.226 225 HA GLN 31 HA GLN 31 -13.156 4.516 2.685 226 1HB GLN 31 2HB GLN 31 -15.417 3.165 1.226 227 2HB GLN 31 1HB GLN 31 -13.835 3.388 0.494 228 1HG GLN 31 2HG GLN 31 -12.913 1.737 1.680 229 2HG GLN 31 1HG GLN 31 -13.754 2.197 3.161 230 1HE2 GLN 31 1HE2 GLN 31 -14.337 0.712 -0.002 231 2HE2 GLN 31 2HE2 GLN 31 -15.504 -0.433 0.556 232 H ALA 32 H ALA 32 -12.384 5.567 0.810 233 HA ALA 32 HA ALA 32 -13.822 7.075 -1.009 234 1HB ALA 32 1HB ALA 32 -13.251 9.395 0.022 235 2HB ALA 32 2HB ALA 32 -13.244 8.516 1.551 236 3HB ALA 32 3HB ALA 32 -14.701 8.545 0.558 237 H PHE 33 H PHE 33 -11.608 5.492 -1.054 238 HA PHE 33 HA PHE 33 -9.479 5.334 -1.819 239 1HB PHE 33 2HB PHE 33 -10.282 8.019 -2.896 240 2HB PHE 33 1HB PHE 33 -8.659 7.401 -3.146 241 HD1 PHE 33 HD1 PHE 33 -8.201 5.893 -4.838 242 HD2 PHE 33 HD2 PHE 33 -12.238 6.609 -3.709 243 HE1 PHE 33 HE1 PHE 33 -8.966 4.584 -6.768 244 HE2 PHE 33 HE2 PHE 33 -13.015 5.302 -5.644 245 HZ PHE 33 HZ PHE 33 -11.377 4.286 -7.179 246 H SER 34 H SER 34 -7.269 6.555 -1.821 247 HA SER 34 HA SER 34 -6.847 8.474 0.248 248 1HB SER 34 2HB SER 34 -5.936 5.638 0.802 249 2HB SER 34 1HB SER 34 -5.607 7.052 1.804 250 HG SER 34 HG SER 34 -8.019 5.667 1.407 251 H ARG 35 H ARG 35 -4.669 9.157 0.370 252 HA ARG 35 HA ARG 35 -3.126 8.490 -2.018 253 1HB ARG 35 2HB ARG 35 -3.677 10.901 -1.137 254 2HB ARG 35 1HB ARG 35 -2.325 10.607 -0.052 255 1HG ARG 35 2HG ARG 35 -1.145 11.524 -1.728 256 2HG ARG 35 1HG ARG 35 -1.204 9.887 -2.381 257 1HD ARG 35 2HD ARG 35 -3.129 10.465 -3.735 258 2HD ARG 35 1HD ARG 35 -3.167 12.081 -3.031 259 HE ARG 35 HE ARG 35 -1.410 11.126 -5.103 260 1HH1 ARG 35 2HH1 ARG 35 -1.879 13.526 -2.612 261 2HH1 ARG 35 1HH1 ARG 35 -0.818 14.678 -3.351 262 1HH2 ARG 35 1HH2 ARG 35 -0.016 12.641 -6.074 263 2HH2 ARG 35 2HH2 ARG 35 0.239 14.177 -5.316 264 H VAL 36 H VAL 36 -2.087 6.605 -1.588 265 HA VAL 36 HA VAL 36 -0.668 6.312 0.935 266 HB VAL 36 HB VAL 36 -0.899 4.302 -1.297 267 1HG1 VAL 36 1HG1 VAL 36 0.961 3.931 0.260 268 2HG1 VAL 36 2HG1 VAL 36 -0.279 2.686 0.413 269 3HG1 VAL 36 3HG1 VAL 36 -0.171 3.976 1.612 270 1HG2 VAL 36 1HG2 VAL 36 -2.964 3.799 -0.641 271 2HG2 VAL 36 2HG2 VAL 36 -2.947 5.262 0.343 272 3HG2 VAL 36 3HG2 VAL 36 -2.467 3.720 1.049 273 H GLN 37 H GLN 37 1.358 6.775 1.174 274 HA GLN 37 HA GLN 37 3.122 6.824 -1.179 275 1HB GLN 37 2HB GLN 37 3.118 8.535 1.304 276 2HB GLN 37 1HB GLN 37 4.478 8.473 0.191 277 1HG GLN 37 2HG GLN 37 2.840 9.137 -1.616 278 2HG GLN 37 1HG GLN 37 1.701 9.486 -0.321 279 1HE2 GLN 37 1HE2 GLN 37 4.507 10.514 -2.016 280 2HE2 GLN 37 2HE2 GLN 37 4.704 12.033 -1.218 281 H ILE 38 H ILE 38 5.336 6.147 -0.818 282 HA ILE 38 HA ILE 38 5.481 4.147 1.334 283 HB ILE 38 HB ILE 38 7.191 4.346 -1.148 284 1HG1 ILE 38 2HG1 ILE 38 4.830 2.562 -0.515 285 2HG1 ILE 38 1HG1 ILE 38 4.865 3.853 -1.711 286 1HG2 ILE 38 1HG2 ILE 38 8.270 3.226 0.766 287 2HG2 ILE 38 2HG2 ILE 38 7.950 2.116 -0.565 288 3HG2 ILE 38 3HG2 ILE 38 6.909 2.108 0.858 289 1HD1 ILE 38 1HD1 ILE 38 6.945 2.334 -2.531 290 2HD1 ILE 38 2HD1 ILE 38 5.294 2.187 -3.134 291 3HD1 ILE 38 3HD1 ILE 38 5.868 1.109 -1.861 292 H TYR 39 H TYR 39 7.372 3.950 2.599 293 HA TYR 39 HA TYR 39 8.893 6.458 2.771 294 1HB TYR 39 2HB TYR 39 7.878 4.543 4.823 295 2HB TYR 39 1HB TYR 39 9.346 5.457 5.168 296 HD1 TYR 39 HD1 TYR 39 8.929 7.266 6.528 297 HD2 TYR 39 HD2 TYR 39 6.082 6.259 3.536 298 HE1 TYR 39 HE1 TYR 39 7.588 9.223 7.157 299 HE2 TYR 39 HE2 TYR 39 4.725 8.207 4.153 300 HH TYR 39 HH TYR 39 5.328 10.036 7.003 301 H HIS 40 H HIS 40 10.943 6.417 2.246 302 HA HIS 40 HA HIS 40 12.315 3.836 2.066 303 1HB HIS 40 2HB HIS 40 12.306 5.112 0.009 304 2HB HIS 40 1HB HIS 40 12.954 6.523 0.834 305 HD1 HIS 40 HD1 HIS 40 14.750 6.131 -1.237 306 HD2 HIS 40 HD2 HIS 40 14.909 3.522 1.992 307 HE1 HIS 40 HE1 HIS 40 17.023 5.061 -1.348 308 HE2 HIS 40 HE2 HIS 40 17.064 3.424 0.565 309 H ASN 41 H ASN 41 12.923 3.530 4.200 310 HA ASN 41 HA ASN 41 14.665 5.552 5.421 311 1HB ASN 41 2HB ASN 41 13.267 3.133 6.584 312 2HB ASN 41 1HB ASN 41 14.410 4.125 7.484 313 1HD2 ASN 41 1HD2 ASN 41 11.500 4.468 5.489 314 2HD2 ASN 41 2HD2 ASN 41 10.768 5.687 6.467 315 HA PRO 42 HA PRO 42 17.738 2.495 3.884 316 1HB PRO 42 2HB PRO 42 19.715 4.271 3.462 317 2HB PRO 42 1HB PRO 42 18.416 4.013 2.294 318 1HG PRO 42 2HG PRO 42 18.711 6.177 4.347 319 2HG PRO 42 1HG PRO 42 18.215 6.310 2.650 320 1HD PRO 42 2HD PRO 42 16.432 6.297 4.691 321 2HD PRO 42 1HD PRO 42 16.062 5.618 3.094 322 H THR 43 H THR 43 17.772 4.835 6.452 323 HA THR 43 HA THR 43 20.226 4.402 7.647 324 HB THR 43 HB THR 43 17.568 4.795 9.036 325 HG1 THR 43 HG1 THR 43 18.194 7.002 8.970 326 1HG2 THR 43 1HG2 THR 43 19.070 4.237 10.738 327 2HG2 THR 43 2HG2 THR 43 19.025 5.999 10.721 328 3HG2 THR 43 3HG2 THR 43 20.385 5.144 9.992 329 H ALA 44 H ALA 44 17.475 2.306 7.456 330 HA ALA 44 HA ALA 44 18.948 0.277 8.994 331 1HB ALA 44 1HB ALA 44 16.693 -0.563 9.764 332 2HB ALA 44 2HB ALA 44 16.025 0.962 9.179 333 3HB ALA 44 3HB ALA 44 17.230 0.962 10.467 334 H ASN 45 H ASN 45 18.081 1.049 6.020 335 HA ASN 45 HA ASN 45 17.650 -0.064 4.086 336 1HB ASN 45 2HB ASN 45 19.618 -1.366 4.784 337 2HB ASN 45 1HB ASN 45 18.579 -2.452 5.701 338 1HD2 ASN 45 1HD2 ASN 45 18.209 -1.044 2.468 339 2HD2 ASN 45 2HD2 ASN 45 18.098 -2.554 1.638 340 H SER 46 H SER 46 15.420 0.486 5.441 341 HA SER 46 HA SER 46 13.750 -1.876 4.921 342 1HB SER 46 2HB SER 46 13.585 -0.106 7.370 343 2HB SER 46 1HB SER 46 12.367 -1.300 6.923 344 HG SER 46 HG SER 46 13.907 -2.109 8.432 345 H PHE 47 H PHE 47 11.409 -1.306 4.738 346 HA PHE 47 HA PHE 47 10.989 1.440 3.788 347 1HB PHE 47 2HB PHE 47 10.435 -1.120 2.302 348 2HB PHE 47 1HB PHE 47 9.577 0.365 1.923 349 HD1 PHE 47 HD1 PHE 47 12.541 -1.535 1.413 350 HD2 PHE 47 HD2 PHE 47 10.954 2.406 1.298 351 HE1 PHE 47 HE1 PHE 47 14.415 -0.828 -0.018 352 HE2 PHE 47 HE2 PHE 47 12.820 3.124 -0.136 353 HZ PHE 47 HZ PHE 47 14.556 1.505 -0.795 354 H ARG 48 H ARG 48 8.517 1.750 3.334 355 HA ARG 48 HA ARG 48 6.717 0.133 4.851 356 1HB ARG 48 2HB ARG 48 7.795 1.242 6.723 357 2HB ARG 48 1HB ARG 48 7.528 2.813 5.985 358 1HG ARG 48 2HG ARG 48 5.419 2.942 6.717 359 2HG ARG 48 1HG ARG 48 5.094 1.242 6.385 360 1HD ARG 48 2HD ARG 48 4.970 1.295 8.685 361 2HD ARG 48 1HD ARG 48 6.651 0.826 8.429 362 HE ARG 48 HE ARG 48 6.262 3.665 8.663 363 1HH1 ARG 48 2HH1 ARG 48 6.780 0.692 10.417 364 2HH1 ARG 48 1HH1 ARG 48 7.462 1.481 11.800 365 1HH2 ARG 48 1HH2 ARG 48 7.159 4.703 10.481 366 2HH2 ARG 48 2HH2 ARG 48 7.678 3.759 11.836 367 H VAL 49 H VAL 49 4.540 0.739 4.620 368 HA VAL 49 HA VAL 49 4.073 2.704 2.485 369 HB VAL 49 HB VAL 49 3.372 0.473 1.868 370 1HG1 VAL 49 1HG1 VAL 49 1.417 -0.527 3.222 371 2HG1 VAL 49 2HG1 VAL 49 1.988 0.521 4.520 372 3HG1 VAL 49 3HG1 VAL 49 3.058 -0.705 3.840 373 1HG2 VAL 49 1HG2 VAL 49 1.973 2.402 1.177 374 2HG2 VAL 49 2HG2 VAL 49 0.924 2.090 2.560 375 3HG2 VAL 49 3HG2 VAL 49 1.078 0.886 1.280 376 H VAL 50 H VAL 50 2.731 4.411 2.826 377 HA VAL 50 HA VAL 50 1.085 4.469 5.245 378 HB VAL 50 HB VAL 50 2.647 6.938 4.657 379 1HG1 VAL 50 1HG1 VAL 50 2.524 7.093 7.156 380 2HG1 VAL 50 2HG1 VAL 50 1.536 5.632 7.130 381 3HG1 VAL 50 3HG1 VAL 50 0.965 7.097 6.331 382 1HG2 VAL 50 1HG2 VAL 50 4.419 6.128 6.261 383 2HG2 VAL 50 2HG2 VAL 50 4.450 5.396 4.657 384 3HG2 VAL 50 3HG2 VAL 50 3.778 4.503 6.022 385 H GLY 51 H GLY 51 -0.900 5.042 4.652 386 1HA GLY 51 2HA GLY 51 -1.198 7.137 2.608 387 2HA GLY 51 1HA GLY 51 -2.065 5.622 2.420 388 H ARG 52 H ARG 52 -2.933 8.464 2.805 389 HA ARG 52 HA ARG 52 -4.737 7.969 5.079 390 1HB ARG 52 2HB ARG 52 -4.751 10.435 5.462 391 2HB ARG 52 1HB ARG 52 -3.197 9.677 5.778 392 1HG ARG 52 2HG ARG 52 -2.244 11.141 4.425 393 2HG ARG 52 1HG ARG 52 -3.161 10.462 3.078 394 1HD ARG 52 2HD ARG 52 -5.046 11.978 3.704 395 2HD ARG 52 1HD ARG 52 -3.976 12.735 4.882 396 HE ARG 52 HE ARG 52 -2.576 12.906 2.573 397 1HH1 ARG 52 2HH1 ARG 52 -5.823 13.815 3.472 398 2HH1 ARG 52 1HH1 ARG 52 -5.898 15.134 2.355 399 1HH2 ARG 52 1HH2 ARG 52 -2.672 14.643 1.102 400 2HH2 ARG 52 2HH2 ARG 52 -4.110 15.604 1.009 401 H LYS 53 H LYS 53 -6.866 8.720 4.868 402 HA LYS 53 HA LYS 53 -8.015 8.484 2.341 403 1HB LYS 53 2HB LYS 53 -8.923 8.790 4.986 404 2HB LYS 53 1HB LYS 53 -9.672 10.090 4.068 405 1HG LYS 53 2HG LYS 53 -11.211 8.624 3.443 406 2HG LYS 53 1HG LYS 53 -9.970 7.860 2.451 407 1HD LYS 53 2HD LYS 53 -9.353 6.654 4.694 408 2HD LYS 53 1HD LYS 53 -11.010 7.072 5.133 409 1HE LYS 53 2HE LYS 53 -11.834 5.933 3.138 410 2HE LYS 53 1HE LYS 53 -10.179 5.535 2.674 411 1HZ LYS 53 1HZ LYS 53 -11.736 3.890 4.046 412 2HZ LYS 53 2HZ LYS 53 -11.004 4.704 5.336 413 3HZ LYS 53 3HZ LYS 53 -10.051 3.897 4.196 414 H MET 54 H MET 54 -9.467 10.197 1.343 415 HA MET 54 HA MET 54 -7.932 12.696 1.127 416 1HB MET 54 2HB MET 54 -9.911 11.649 -0.892 417 2HB MET 54 1HB MET 54 -8.698 12.902 -1.118 418 1HG MET 54 2HG MET 54 -7.548 10.359 -0.311 419 2HG MET 54 1HG MET 54 -8.461 10.253 -1.814 420 1HE MET 54 1HE MET 54 -6.091 11.082 -4.306 421 2HE MET 54 2HE MET 54 -7.532 12.088 -4.161 422 3HE MET 54 3HE MET 54 -7.606 10.375 -3.747 423 H GLN 55 H GLN 55 -9.617 12.542 3.257 424 HA GLN 55 HA GLN 55 -11.769 14.391 2.473 425 1HB GLN 55 2HB GLN 55 -13.029 13.400 4.491 426 2HB GLN 55 1HB GLN 55 -12.990 12.471 3.000 427 1HG GLN 55 2HG GLN 55 -11.511 10.908 3.862 428 2HG GLN 55 1HG GLN 55 -10.965 11.988 5.145 429 1HE2 GLN 55 1HE2 GLN 55 -12.194 9.212 5.046 430 2HE2 GLN 55 2HE2 GLN 55 -13.473 9.284 6.205 431 HA PRO 56 HA PRO 56 -10.492 17.392 5.412 432 1HB PRO 56 2HB PRO 56 -13.085 16.993 6.837 433 2HB PRO 56 1HB PRO 56 -12.327 18.489 6.276 434 1HG PRO 56 2HG PRO 56 -14.363 17.424 4.937 435 2HG PRO 56 1HG PRO 56 -12.997 18.160 4.079 436 1HD PRO 56 2HD PRO 56 -13.669 15.282 4.457 437 2HD PRO 56 1HD PRO 56 -12.901 16.092 3.077 438 H ASP 57 H ASP 57 -11.954 14.462 6.715 439 HA ASP 57 HA ASP 57 -11.076 14.735 9.373 440 1HB ASP 57 2HB ASP 57 -12.262 12.649 7.719 441 2HB ASP 57 1HB ASP 57 -11.120 12.000 8.891 442 H GLN 58 H GLN 58 -9.598 13.121 6.576 443 HA GLN 58 HA GLN 58 -7.463 12.474 6.145 444 1HB GLN 58 2HB GLN 58 -7.262 14.901 7.584 445 2HB GLN 58 1HB GLN 58 -6.022 13.833 8.227 446 1HG GLN 58 2HG GLN 58 -4.746 14.390 6.513 447 2HG GLN 58 1HG GLN 58 -5.875 13.543 5.457 448 1HE2 GLN 58 1HE2 GLN 58 -7.599 14.768 4.505 449 2HE2 GLN 58 2HE2 GLN 58 -7.397 16.456 4.208 450 H GLN 59 H GLN 59 -7.703 10.336 6.746 451 HA GLN 59 HA GLN 59 -6.514 9.636 9.343 452 1HB GLN 59 2HB GLN 59 -8.800 9.206 9.719 453 2HB GLN 59 1HB GLN 59 -9.039 8.573 8.098 454 1HG GLN 59 2HG GLN 59 -8.499 6.502 8.708 455 2HG GLN 59 1HG GLN 59 -7.104 7.041 9.641 456 1HE2 GLN 59 1HE2 GLN 59 -8.859 4.981 10.411 457 2HE2 GLN 59 2HE2 GLN 59 -9.665 5.473 11.858 458 H VAL 60 H VAL 60 -5.007 8.040 9.288 459 HA VAL 60 HA VAL 60 -4.014 7.219 6.742 460 HB VAL 60 HB VAL 60 -2.281 6.055 7.922 461 1HG1 VAL 60 1HG1 VAL 60 -1.574 8.194 8.013 462 2HG1 VAL 60 2HG1 VAL 60 -1.821 7.976 9.746 463 3HG1 VAL 60 3HG1 VAL 60 -3.061 8.767 8.772 464 1HG2 VAL 60 1HG2 VAL 60 -4.265 5.961 10.074 465 2HG2 VAL 60 2HG2 VAL 60 -2.634 6.360 10.616 466 3HG2 VAL 60 3HG2 VAL 60 -2.923 4.871 9.715 467 H VAL 61 H VAL 61 -4.659 5.550 5.564 468 HA VAL 61 HA VAL 61 -6.386 3.544 6.784 469 HB VAL 61 HB VAL 61 -7.124 2.962 4.620 470 1HG1 VAL 61 1HG1 VAL 61 -8.251 4.848 4.176 471 2HG1 VAL 61 2HG1 VAL 61 -6.779 5.787 3.923 472 3HG1 VAL 61 3HG1 VAL 61 -7.377 5.507 5.560 473 1HG2 VAL 61 1HG2 VAL 61 -4.859 2.845 3.591 474 2HG2 VAL 61 2HG2 VAL 61 -4.898 4.599 3.408 475 3HG2 VAL 61 3HG2 VAL 61 -6.074 3.596 2.559 476 H ILE 62 H ILE 62 -3.160 3.907 5.670 477 HA ILE 62 HA ILE 62 -2.663 1.080 6.231 478 HB ILE 62 HB ILE 62 -2.846 1.319 3.758 479 1HG1 ILE 62 2HG1 ILE 62 0.032 0.771 4.359 480 2HG1 ILE 62 1HG1 ILE 62 -1.202 -0.235 5.108 481 1HG2 ILE 62 1HG2 ILE 62 -1.293 2.582 2.493 482 2HG2 ILE 62 2HG2 ILE 62 -0.318 2.943 3.918 483 3HG2 ILE 62 3HG2 ILE 62 -1.919 3.665 3.735 484 1HD1 ILE 62 1HD1 ILE 62 -2.076 -0.428 2.643 485 2HD1 ILE 62 2HD1 ILE 62 -0.754 -1.439 3.226 486 3HD1 ILE 62 3HD1 ILE 62 -0.408 -0.006 2.256 487 H ASN 63 H ASN 63 -0.765 0.697 7.269 488 HA ASN 63 HA ASN 63 1.393 2.575 7.286 489 1HB ASN 63 2HB ASN 63 1.267 3.137 9.686 490 2HB ASN 63 1HB ASN 63 -0.127 3.741 8.803 491 1HD2 ASN 63 1HD2 ASN 63 -2.136 2.772 9.105 492 2HD2 ASN 63 2HD2 ASN 63 -2.469 1.774 10.476 493 H CYS 64 H CYS 64 2.044 0.361 6.497 494 HA CYS 64 HA CYS 64 3.056 -1.197 8.777 495 1HB CYS 64 2HB CYS 64 1.062 -2.153 7.239 496 2HB CYS 64 1HB CYS 64 2.442 -2.682 6.283 497 HG CYS 64 HG CYS 64 3.065 -4.333 8.039 498 H ALA 65 H ALA 65 5.159 -1.752 8.671 499 HA ALA 65 HA ALA 65 6.766 -0.593 6.595 500 1HB ALA 65 1HB ALA 65 7.169 -1.538 9.267 501 2HB ALA 65 2HB ALA 65 8.190 -0.484 8.289 502 3HB ALA 65 3HB ALA 65 8.385 -2.234 8.196 503 H ILE 66 H ILE 66 7.949 -1.593 5.025 504 HA ILE 66 HA ILE 66 7.519 -4.488 4.677 505 HB ILE 66 HB ILE 66 7.944 -3.875 2.164 506 1HG1 ILE 66 2HG1 ILE 66 6.433 -1.394 2.769 507 2HG1 ILE 66 1HG1 ILE 66 8.168 -1.364 3.079 508 1HG2 ILE 66 1HG2 ILE 66 5.483 -3.863 3.793 509 2HG2 ILE 66 2HG2 ILE 66 5.933 -4.871 2.417 510 3HG2 ILE 66 3HG2 ILE 66 5.334 -3.234 2.152 511 1HD1 ILE 66 1HD1 ILE 66 8.540 -1.022 0.931 512 2HD1 ILE 66 2HD1 ILE 66 6.804 -1.071 0.619 513 3HD1 ILE 66 3HD1 ILE 66 7.759 -2.555 0.544 514 H VAL 67 H VAL 67 9.321 -5.669 4.652 515 HA VAL 67 HA VAL 67 11.794 -4.440 3.680 516 HB VAL 67 HB VAL 67 13.065 -5.544 5.513 517 1HG1 VAL 67 1HG1 VAL 67 11.899 -3.820 7.282 518 2HG1 VAL 67 2HG1 VAL 67 11.349 -3.184 5.731 519 3HG1 VAL 67 3HG1 VAL 67 13.074 -3.367 6.047 520 1HG2 VAL 67 1HG2 VAL 67 11.656 -7.168 6.402 521 2HG2 VAL 67 2HG2 VAL 67 10.287 -6.060 6.510 522 3HG2 VAL 67 3HG2 VAL 67 11.637 -5.905 7.634 523 H ARG 68 H ARG 68 12.323 -5.624 2.019 524 HA ARG 68 HA ARG 68 12.358 -7.455 0.581 525 1HB ARG 68 2HB ARG 68 14.572 -7.278 1.548 526 2HB ARG 68 1HB ARG 68 14.080 -8.227 2.942 527 1HG ARG 68 2HG ARG 68 13.508 -9.978 0.995 528 2HG ARG 68 1HG ARG 68 14.821 -9.091 0.223 529 1HD ARG 68 2HD ARG 68 15.751 -9.507 2.784 530 2HD ARG 68 1HD ARG 68 14.890 -11.001 2.416 531 HE ARG 68 HE ARG 68 16.545 -10.300 0.247 532 1HH1 ARG 68 2HH1 ARG 68 16.740 -11.511 3.514 533 2HH1 ARG 68 1HH1 ARG 68 18.221 -12.364 3.242 534 1HH2 ARG 68 1HH2 ARG 68 18.494 -11.422 -0.113 535 2HH2 ARG 68 2HH2 ARG 68 19.218 -12.314 1.184 536 H GLY 69 H GLY 69 10.013 -8.064 0.998 537 1HA GLY 69 2HA GLY 69 9.891 -10.857 1.589 538 2HA GLY 69 1HA GLY 69 9.177 -9.904 2.878 539 H VAL 70 H VAL 70 8.060 -7.851 1.172 540 HA VAL 70 HA VAL 70 5.731 -9.350 0.306 541 HB VAL 70 HB VAL 70 6.281 -6.468 0.868 542 1HG1 VAL 70 1HG1 VAL 70 4.284 -7.501 -1.072 543 2HG1 VAL 70 2HG1 VAL 70 5.178 -5.983 -1.073 544 3HG1 VAL 70 3HG1 VAL 70 3.804 -6.198 0.014 545 1HG2 VAL 70 1HG2 VAL 70 3.748 -7.814 1.559 546 2HG2 VAL 70 2HG2 VAL 70 4.760 -6.729 2.518 547 3HG2 VAL 70 3HG2 VAL 70 5.209 -8.425 2.341 548 H LYS 71 H LYS 71 4.971 -9.532 -1.724 549 HA LYS 71 HA LYS 71 6.571 -8.350 -3.897 550 1HB LYS 71 2HB LYS 71 7.016 -10.769 -3.678 551 2HB LYS 71 1HB LYS 71 5.298 -11.095 -3.860 552 1HG LYS 71 2HG LYS 71 6.416 -9.482 -6.021 553 2HG LYS 71 1HG LYS 71 7.139 -11.086 -5.877 554 1HD LYS 71 2HD LYS 71 4.527 -11.709 -5.612 555 2HD LYS 71 1HD LYS 71 4.408 -10.295 -6.662 556 1HE LYS 71 2HE LYS 71 6.195 -12.661 -7.202 557 2HE LYS 71 1HE LYS 71 4.576 -12.471 -7.874 558 1HZ LYS 71 1HZ LYS 71 6.236 -11.731 -9.443 559 2HZ LYS 71 2HZ LYS 71 6.878 -10.644 -8.316 560 3HZ LYS 71 3HZ LYS 71 5.318 -10.408 -8.926 561 H TYR 72 H TYR 72 5.230 -6.698 -4.420 562 HA TYR 72 HA TYR 72 2.527 -6.483 -4.335 563 1HB TYR 72 2HB TYR 72 4.652 -5.253 -5.963 564 2HB TYR 72 1HB TYR 72 3.038 -5.129 -6.648 565 HD1 TYR 72 HD1 TYR 72 3.027 -2.704 -6.409 566 HD2 TYR 72 HD2 TYR 72 3.507 -5.234 -3.023 567 HE1 TYR 72 HE1 TYR 72 2.548 -0.799 -4.929 568 HE2 TYR 72 HE2 TYR 72 3.035 -3.343 -1.532 569 HH TYR 72 HH TYR 72 3.072 -0.937 -1.539 570 H ASN 73 H ASN 73 0.955 -7.718 -5.073 571 HA ASN 73 HA ASN 73 1.316 -9.106 -7.644 572 1HB ASN 73 2HB ASN 73 0.622 -10.139 -5.145 573 2HB ASN 73 1HB ASN 73 -0.897 -10.082 -6.034 574 1HD2 ASN 73 1HD2 ASN 73 -1.222 -12.152 -6.530 575 2HD2 ASN 73 2HD2 ASN 73 -0.129 -13.140 -7.432 576 H GLN 74 H GLN 74 0.539 -7.524 -9.006 577 HA GLN 74 HA GLN 74 -1.814 -6.031 -8.567 578 1HB GLN 74 2HB GLN 74 -0.020 -5.380 -10.150 579 2HB GLN 74 1HB GLN 74 -0.490 -6.710 -11.199 580 1HG GLN 74 2HG GLN 74 -2.812 -5.194 -10.653 581 2HG GLN 74 1HG GLN 74 -1.526 -4.068 -11.087 582 1HE2 GLN 74 1HE2 GLN 74 -3.300 -6.911 -12.137 583 2HE2 GLN 74 2HE2 GLN 74 -3.018 -6.694 -13.828 584 H ALA 75 H ALA 75 -3.518 -7.366 -8.008 585 HA ALA 75 HA ALA 75 -4.290 -9.710 -9.325 586 1HB ALA 75 1HB ALA 75 -6.483 -8.100 -8.219 587 2HB ALA 75 2HB ALA 75 -5.142 -8.391 -7.112 588 3HB ALA 75 3HB ALA 75 -5.987 -9.752 -7.852 589 H THR 76 H THR 76 -5.329 -6.355 -9.809 590 HA THR 76 HA THR 76 -6.254 -7.100 -12.494 591 HB THR 76 HB THR 76 -8.302 -5.990 -12.290 592 HG1 THR 76 HG1 THR 76 -8.217 -4.135 -11.341 593 1HG2 THR 76 1HG2 THR 76 -7.869 -7.991 -10.535 594 2HG2 THR 76 2HG2 THR 76 -9.425 -7.198 -10.783 595 3HG2 THR 76 3HG2 THR 76 -8.383 -6.699 -9.450 596 HA PRO 77 HA PRO 77 -4.070 -3.724 -14.269 597 1HB PRO 77 2HB PRO 77 -6.280 -2.197 -15.216 598 2HB PRO 77 1HB PRO 77 -5.283 -3.330 -16.130 599 1HG PRO 77 2HG PRO 77 -7.928 -3.740 -14.853 600 2HG PRO 77 1HG PRO 77 -7.231 -4.526 -16.281 601 1HD PRO 77 2HD PRO 77 -7.455 -5.821 -13.948 602 2HD PRO 77 1HD PRO 77 -6.050 -6.069 -15.007 603 H ASN 78 H ASN 78 -6.792 -3.005 -12.172 604 HA ASN 78 HA ASN 78 -5.389 -0.568 -11.298 605 1HB ASN 78 2HB ASN 78 -7.578 0.435 -10.792 606 2HB ASN 78 1HB ASN 78 -7.435 0.030 -12.501 607 1HD2 ASN 78 1HD2 ASN 78 -9.382 -0.138 -9.842 608 2HD2 ASN 78 2HD2 ASN 78 -10.454 -1.391 -10.356 609 H PHE 79 H PHE 79 -4.731 -2.914 -10.118 610 HA PHE 79 HA PHE 79 -5.604 -2.460 -7.403 611 1HB PHE 79 2HB PHE 79 -7.098 -4.267 -8.742 612 2HB PHE 79 1HB PHE 79 -5.812 -5.317 -8.157 613 HD1 PHE 79 HD1 PHE 79 -5.504 -5.697 -5.774 614 HD2 PHE 79 HD2 PHE 79 -8.659 -3.237 -7.228 615 HE1 PHE 79 HE1 PHE 79 -6.611 -5.823 -3.578 616 HE2 PHE 79 HE2 PHE 79 -9.770 -3.360 -5.037 617 HZ PHE 79 HZ PHE 79 -8.746 -4.653 -3.209 618 H HIS 80 H HIS 80 -4.114 -3.099 -5.901 619 HA HIS 80 HA HIS 80 -1.807 -4.657 -6.820 620 1HB HIS 80 2HB HIS 80 -1.753 -1.916 -5.590 621 2HB HIS 80 1HB HIS 80 -0.375 -3.005 -5.459 622 HD1 HIS 80 HD1 HIS 80 1.312 -2.519 -7.188 623 HD2 HIS 80 HD2 HIS 80 -2.539 -1.826 -8.578 624 HE1 HIS 80 HE1 HIS 80 1.582 -1.764 -9.571 625 HE2 HIS 80 HE2 HIS 80 -0.755 -1.262 -10.361 626 H GLN 81 H GLN 81 -2.401 -6.413 -5.629 627 HA GLN 81 HA GLN 81 -2.721 -6.074 -2.732 628 1HB GLN 81 2HB GLN 81 -4.555 -7.279 -3.452 629 2HB GLN 81 1HB GLN 81 -3.660 -8.079 -4.734 630 1HG GLN 81 2HG GLN 81 -2.666 -8.880 -2.154 631 2HG GLN 81 1HG GLN 81 -4.405 -9.128 -2.259 632 1HE2 GLN 81 1HE2 GLN 81 -2.339 -11.121 -2.101 633 2HE2 GLN 81 2HE2 GLN 81 -2.461 -12.083 -3.530 634 H TRP 82 H TRP 82 -1.400 -7.081 -1.274 635 HA TRP 82 HA TRP 82 0.669 -8.894 -2.261 636 1HB TRP 82 2HB TRP 82 2.435 -7.696 -1.011 637 2HB TRP 82 1HB TRP 82 1.802 -6.759 -2.348 638 HD1 TRP 82 HD1 TRP 82 1.945 -6.831 1.463 639 HE1 TRP 82 HE1 TRP 82 1.252 -4.522 2.360 640 HE3 TRP 82 HE3 TRP 82 0.356 -4.702 -2.908 641 HZ2 TRP 82 HZ2 TRP 82 0.174 -2.117 1.354 642 HZ3 TRP 82 HZ3 TRP 82 -0.493 -2.392 -2.852 643 HH2 TRP 82 HH2 TRP 82 -0.580 -1.129 -0.764 644 H ARG 83 H ARG 83 1.525 -10.284 -0.744 645 HA ARG 83 HA ARG 83 0.066 -10.398 1.810 646 1HB ARG 83 2HB ARG 83 0.287 -12.343 -0.101 647 2HB ARG 83 1HB ARG 83 1.617 -12.762 0.970 648 1HG ARG 83 2HG ARG 83 -0.274 -12.427 2.808 649 2HG ARG 83 1HG ARG 83 -1.303 -12.854 1.439 650 1HD ARG 83 2HD ARG 83 0.929 -14.461 2.657 651 2HD ARG 83 1HD ARG 83 -0.781 -14.876 2.563 652 HE ARG 83 HE ARG 83 -0.041 -14.640 -0.034 653 1HH1 ARG 83 2HH1 ARG 83 1.204 -16.467 2.665 654 2HH1 ARG 83 1HH1 ARG 83 1.796 -17.761 1.678 655 1HH2 ARG 83 1HH2 ARG 83 0.735 -16.340 -1.335 656 2HH2 ARG 83 2HH2 ARG 83 1.529 -17.689 -0.594 657 H ASP 84 H ASP 84 1.230 -9.603 3.447 658 HA ASP 84 HA ASP 84 4.129 -9.657 3.271 659 1HB ASP 84 2HB ASP 84 3.396 -7.523 3.837 660 2HB ASP 84 1HB ASP 84 2.172 -8.118 4.933 661 H ALA 85 H ALA 85 2.441 -9.748 6.353 662 HA ALA 85 HA ALA 85 4.132 -11.939 7.186 663 1HB ALA 85 1HB ALA 85 2.013 -10.986 9.001 664 2HB ALA 85 2HB ALA 85 3.207 -9.787 8.504 665 3HB ALA 85 3HB ALA 85 3.727 -11.271 9.302 666 H ARG 86 H ARG 86 0.642 -11.403 7.582 667 HA ARG 86 HA ARG 86 0.142 -14.144 6.682 668 1HB ARG 86 2HB ARG 86 0.327 -14.380 9.074 669 2HB ARG 86 1HB ARG 86 -0.758 -13.022 9.338 670 1HG ARG 86 2HG ARG 86 -2.593 -14.277 9.070 671 2HG ARG 86 1HG ARG 86 -1.904 -15.180 7.721 672 1HD ARG 86 2HD ARG 86 -0.581 -15.795 10.228 673 2HD ARG 86 1HD ARG 86 -2.315 -16.106 10.306 674 HE ARG 86 HE ARG 86 -1.272 -17.184 7.924 675 1HH1 ARG 86 2HH1 ARG 86 -1.240 -17.727 11.371 676 2HH1 ARG 86 1HH1 ARG 86 -0.992 -19.434 11.226 677 1HH2 ARG 86 1HH2 ARG 86 -0.945 -19.429 7.732 678 2HH2 ARG 86 2HH2 ARG 86 -0.824 -20.400 9.160 679 H GLN 87 H GLN 87 -0.695 -10.899 6.657 680 HA GLN 87 HA GLN 87 -3.429 -11.503 5.762 681 1HB GLN 87 2HB GLN 87 -2.307 -9.382 7.399 682 2HB GLN 87 1HB GLN 87 -3.205 -8.734 6.034 683 1HG GLN 87 2HG GLN 87 -5.166 -9.285 6.923 684 2HG GLN 87 1HG GLN 87 -4.608 -10.895 7.375 685 1HE2 GLN 87 1HE2 GLN 87 -3.295 -7.778 8.361 686 2HE2 GLN 87 2HE2 GLN 87 -3.620 -7.969 10.047 687 H VAL 88 H VAL 88 -4.080 -9.441 4.249 688 HA VAL 88 HA VAL 88 -1.977 -9.097 2.239 689 HB VAL 88 HB VAL 88 -4.749 -9.691 1.289 690 1HG1 VAL 88 1HG1 VAL 88 -2.042 -10.226 0.080 691 2HG1 VAL 88 2HG1 VAL 88 -3.012 -8.783 -0.219 692 3HG1 VAL 88 3HG1 VAL 88 -3.609 -10.366 -0.718 693 1HG2 VAL 88 1HG2 VAL 88 -4.449 -11.624 2.577 694 2HG2 VAL 88 2HG2 VAL 88 -2.727 -11.710 2.209 695 3HG2 VAL 88 3HG2 VAL 88 -3.916 -12.093 0.962 696 H TRP 89 H TRP 89 -1.874 -7.078 1.487 697 HA TRP 89 HA TRP 89 -4.047 -5.246 2.220 698 1HB TRP 89 2HB TRP 89 -1.117 -4.804 1.692 699 2HB TRP 89 1HB TRP 89 -2.262 -3.474 1.805 700 HD1 TRP 89 HD1 TRP 89 -0.868 -6.360 3.979 701 HE1 TRP 89 HE1 TRP 89 -1.010 -5.636 6.447 702 HE3 TRP 89 HE3 TRP 89 -3.291 -1.898 3.381 703 HZ2 TRP 89 HZ2 TRP 89 -2.015 -3.458 7.940 704 HZ3 TRP 89 HZ3 TRP 89 -3.800 -0.554 5.377 705 HH2 TRP 89 HH2 TRP 89 -3.181 -1.319 7.608 706 H GLY 90 H GLY 90 -5.453 -5.278 0.534 707 1HA GLY 90 2HA GLY 90 -4.447 -5.137 -2.197 708 2HA GLY 90 1HA GLY 90 -6.115 -5.356 -1.718 709 H LEU 91 H LEU 91 -4.223 -3.333 -3.316 710 HA LEU 91 HA LEU 91 -5.495 -0.894 -2.278 711 1HB LEU 91 2HB LEU 91 -2.919 -1.470 -3.590 712 2HB LEU 91 1HB LEU 91 -3.707 0.004 -4.106 713 HG LEU 91 HG LEU 91 -2.050 0.322 -2.283 714 1HD1 LEU 91 1HD1 LEU 91 -4.045 1.810 -2.711 715 2HD1 LEU 91 2HD1 LEU 91 -3.331 1.904 -1.102 716 3HD1 LEU 91 3HD1 LEU 91 -4.824 0.999 -1.355 717 1HD2 LEU 91 1HD2 LEU 91 -2.633 -1.858 -1.157 718 2HD2 LEU 91 2HD2 LEU 91 -4.054 -1.041 -0.507 719 3HD2 LEU 91 3HD2 LEU 91 -2.439 -0.465 -0.093 720 H ASN 92 H ASN 92 -7.351 -0.457 -3.308 721 HA ASN 92 HA ASN 92 -7.586 -1.110 -6.153 722 1HB ASN 92 2HB ASN 92 -9.437 -1.523 -4.365 723 2HB ASN 92 1HB ASN 92 -9.757 0.199 -4.541 724 1HD2 ASN 92 1HD2 ASN 92 -9.120 0.325 -7.369 725 2HD2 ASN 92 2HD2 ASN 92 -10.411 -0.479 -8.190 726 H PHE 93 H PHE 93 -6.762 0.329 -7.472 727 HA PHE 93 HA PHE 93 -6.680 3.139 -6.767 728 1HB PHE 93 2HB PHE 93 -5.638 1.824 -9.271 729 2HB PHE 93 1HB PHE 93 -5.187 3.384 -8.603 730 HD1 PHE 93 HD1 PHE 93 -5.015 -0.252 -8.034 731 HD2 PHE 93 HD2 PHE 93 -3.457 3.567 -6.992 732 HE1 PHE 93 HE1 PHE 93 -3.212 -1.332 -6.769 733 HE2 PHE 93 HE2 PHE 93 -1.655 2.487 -5.723 734 HZ PHE 93 HZ PHE 93 -1.529 0.034 -5.611 735 H GLY 94 H GLY 94 -7.173 4.771 -8.424 736 1HA GLY 94 2HA GLY 94 -9.834 4.233 -9.505 737 2HA GLY 94 1HA GLY 94 -9.083 5.811 -9.330 738 H SER 95 H SER 95 -6.652 5.271 -10.655 739 HA SER 95 HA SER 95 -7.570 4.706 -13.396 740 1HB SER 95 2HB SER 95 -5.395 6.703 -12.937 741 2HB SER 95 1HB SER 95 -6.572 6.606 -14.247 742 HG SER 95 HG SER 95 -6.724 7.916 -11.858 743 H LYS 96 H LYS 96 -5.801 4.140 -14.898 744 HA LYS 96 HA LYS 96 -4.245 2.031 -13.898 745 1HB LYS 96 2HB LYS 96 -3.124 2.106 -16.141 746 2HB LYS 96 1HB LYS 96 -4.878 2.020 -16.205 747 1HG LYS 96 2HG LYS 96 -3.752 4.735 -16.235 748 2HG LYS 96 1HG LYS 96 -3.386 3.740 -17.645 749 1HD LYS 96 2HD LYS 96 -5.502 3.818 -18.393 750 2HD LYS 96 1HD LYS 96 -6.179 3.594 -16.780 751 1HE LYS 96 2HE LYS 96 -5.150 6.113 -16.609 752 2HE LYS 96 1HE LYS 96 -5.674 6.053 -18.292 753 1HZ LYS 96 1HZ LYS 96 -7.835 5.954 -17.709 754 2HZ LYS 96 2HZ LYS 96 -7.284 6.708 -16.299 755 3HZ LYS 96 3HZ LYS 96 -7.551 5.038 -16.315 756 H GLU 97 H GLU 97 -3.554 5.424 -14.350 757 HA GLU 97 HA GLU 97 -0.740 5.286 -14.172 758 1HB GLU 97 2HB GLU 97 -2.632 7.533 -13.456 759 2HB GLU 97 1HB GLU 97 -0.885 7.698 -13.578 760 1HG GLU 97 2HG GLU 97 -2.392 6.618 -15.903 761 2HG GLU 97 1HG GLU 97 -2.453 8.349 -15.570 762 H ASP 98 H ASP 98 -3.241 5.854 -11.711 763 HA ASP 98 HA ASP 98 -1.585 6.270 -9.518 764 1HB ASP 98 2HB ASP 98 -4.283 4.904 -9.607 765 2HB ASP 98 1HB ASP 98 -3.502 5.500 -8.146 766 H ALA 99 H ALA 99 -3.143 3.206 -10.464 767 HA ALA 99 HA ALA 99 -1.863 1.561 -8.628 768 1HB ALA 99 1HB ALA 99 -3.814 1.088 -10.274 769 2HB ALA 99 2HB ALA 99 -2.737 -0.228 -9.803 770 3HB ALA 99 3HB ALA 99 -2.530 0.564 -11.366 771 H ALA 100 H ALA 100 -0.779 2.748 -11.748 772 HA ALA 100 HA ALA 100 1.501 1.025 -11.913 773 1HB ALA 100 1HB ALA 100 0.439 2.021 -13.901 774 2HB ALA 100 2HB ALA 100 2.161 2.388 -13.804 775 3HB ALA 100 3HB ALA 100 0.972 3.615 -13.367 776 H GLN 101 H GLN 101 0.918 4.328 -10.820 777 HA GLN 101 HA GLN 101 3.627 5.017 -10.372 778 1HB GLN 101 2HB GLN 101 1.689 6.617 -10.569 779 2HB GLN 101 1HB GLN 101 1.204 6.132 -8.951 780 1HG GLN 101 2HG GLN 101 2.410 8.191 -8.820 781 2HG GLN 101 1HG GLN 101 3.386 6.911 -8.103 782 1HE2 GLN 101 1HE2 GLN 101 5.065 5.974 -9.460 783 2HE2 GLN 101 2HE2 GLN 101 5.876 6.983 -10.604 784 H PHE 102 H PHE 102 1.089 3.704 -8.294 785 HA PHE 102 HA PHE 102 2.369 3.776 -5.845 786 1HB PHE 102 2HB PHE 102 -0.024 3.041 -6.427 787 2HB PHE 102 1HB PHE 102 0.655 1.452 -6.694 788 HD1 PHE 102 HD1 PHE 102 1.103 4.095 -4.117 789 HD2 PHE 102 HD2 PHE 102 0.228 0.008 -4.946 790 HE1 PHE 102 HE1 PHE 102 0.942 3.648 -1.711 791 HE2 PHE 102 HE2 PHE 102 0.067 -0.442 -2.536 792 HZ PHE 102 HZ PHE 102 0.423 1.375 -0.912 793 H ALA 103 H ALA 103 2.415 1.131 -8.234 794 HA ALA 103 HA ALA 103 4.226 -0.497 -6.798 795 1HB ALA 103 1HB ALA 103 3.188 -1.753 -8.377 796 2HB ALA 103 2HB ALA 103 4.635 -1.337 -9.295 797 3HB ALA 103 3HB ALA 103 3.140 -0.437 -9.549 798 H ALA 104 H ALA 104 4.633 2.240 -8.879 799 HA ALA 104 HA ALA 104 7.195 1.971 -9.842 800 1HB ALA 104 1HB ALA 104 5.508 3.889 -10.150 801 2HB ALA 104 2HB ALA 104 7.227 4.287 -10.141 802 3HB ALA 104 3HB ALA 104 6.246 4.581 -8.703 803 H GLY 105 H GLY 105 6.355 3.695 -6.839 804 1HA GLY 105 2HA GLY 105 9.039 3.802 -5.908 805 2HA GLY 105 1HA GLY 105 7.604 4.094 -4.940 806 H MET 106 H MET 106 6.294 1.763 -4.962 807 HA MET 106 HA MET 106 7.482 0.259 -2.993 808 1HB MET 106 2HB MET 106 5.124 0.055 -3.521 809 2HB MET 106 1HB MET 106 5.505 -0.630 -5.098 810 1HG MET 106 2HG MET 106 4.983 -2.494 -3.866 811 2HG MET 106 1HG MET 106 6.735 -2.448 -3.745 812 1HE MET 106 1HE MET 106 6.160 -4.164 -2.258 813 2HE MET 106 2HE MET 106 4.977 -4.055 -0.951 814 3HE MET 106 3HE MET 106 6.690 -3.795 -0.616 815 H ALA 107 H ALA 107 7.220 -0.705 -6.403 816 HA ALA 107 HA ALA 107 8.752 -2.952 -6.442 817 1HB ALA 107 1HB ALA 107 9.259 -2.485 -8.771 818 2HB ALA 107 2HB ALA 107 8.844 -0.787 -8.543 819 3HB ALA 107 3HB ALA 107 7.595 -2.025 -8.411 820 H SER 108 H SER 108 9.852 0.384 -6.312 821 HA SER 108 HA SER 108 12.617 -0.136 -6.660 822 1HB SER 108 2HB SER 108 11.137 2.133 -6.562 823 2HB SER 108 1HB SER 108 11.836 2.151 -4.942 824 HG SER 108 HG SER 108 13.107 2.304 -7.438 825 H ALA 109 H ALA 109 10.496 0.087 -3.840 826 HA ALA 109 HA ALA 109 12.466 -0.150 -1.842 827 1HB ALA 109 1HB ALA 109 10.309 -1.353 -0.702 828 2HB ALA 109 2HB ALA 109 9.543 -0.427 -1.995 829 3HB ALA 109 3HB ALA 109 10.544 0.394 -0.798 830 H LEU 110 H LEU 110 10.341 -2.635 -3.234 831 HA LEU 110 HA LEU 110 11.510 -4.835 -1.959 832 1HB LEU 110 2HB LEU 110 10.309 -5.015 -4.703 833 2HB LEU 110 1HB LEU 110 10.255 -6.190 -3.405 834 HG LEU 110 HG LEU 110 8.831 -3.540 -3.239 835 1HD1 LEU 110 1HD1 LEU 110 7.098 -4.275 -4.435 836 2HD1 LEU 110 2HD1 LEU 110 7.194 -5.898 -3.750 837 3HD1 LEU 110 3HD1 LEU 110 8.234 -5.448 -5.102 838 1HD2 LEU 110 1HD2 LEU 110 8.538 -4.211 -1.140 839 2HD2 LEU 110 2HD2 LEU 110 9.203 -5.808 -1.480 840 3HD2 LEU 110 3HD2 LEU 110 7.496 -5.482 -1.781 841 H GLU 111 H GLU 111 12.612 -2.920 -4.586 842 HA GLU 111 HA GLU 111 14.426 -4.952 -5.596 843 1HB GLU 111 2HB GLU 111 13.440 -2.336 -6.492 844 2HB GLU 111 1HB GLU 111 15.134 -2.638 -6.856 845 1HG GLU 111 2HG GLU 111 14.432 -4.815 -7.842 846 2HG GLU 111 1HG GLU 111 12.764 -4.281 -7.666 847 H ALA 112 H ALA 112 14.435 -2.329 -3.394 848 HA ALA 112 HA ALA 112 17.370 -2.276 -3.308 849 1HB ALA 112 1HB ALA 112 16.857 -0.070 -3.285 850 2HB ALA 112 2HB ALA 112 16.662 -0.363 -1.556 851 3HB ALA 112 3HB ALA 112 15.249 -0.341 -2.612 852 H LEU 113 H LEU 113 14.940 -3.976 -2.028 853 HA LEU 113 HA LEU 113 16.230 -4.229 0.603 854 1HB LEU 113 2HB LEU 113 13.495 -3.870 -0.190 855 2HB LEU 113 1HB LEU 113 13.662 -5.396 0.633 856 HG LEU 113 HG LEU 113 13.042 -3.321 2.021 857 1HD1 LEU 113 1HD1 LEU 113 14.269 -5.664 2.665 858 2HD1 LEU 113 2HD1 LEU 113 13.726 -4.460 3.833 859 3HD1 LEU 113 3HD1 LEU 113 15.410 -4.484 3.308 860 1HD2 LEU 113 1HD2 LEU 113 14.478 -1.631 2.249 861 2HD2 LEU 113 2HD2 LEU 113 15.331 -2.301 0.859 862 3HD2 LEU 113 3HD2 LEU 113 15.846 -2.717 2.493 863 H GLU 114 H GLU 114 14.957 -5.860 -2.218 864 HA GLU 114 HA GLU 114 15.894 -8.445 -1.181 865 1HB GLU 114 2HB GLU 114 14.213 -8.015 -3.647 866 2HB GLU 114 1HB GLU 114 14.459 -9.509 -2.755 867 1HG GLU 114 2HG GLU 114 13.248 -8.507 -0.842 868 2HG GLU 114 1HG GLU 114 12.913 -7.095 -1.841 869 H GLY 115 HN GLY 115 16.357 -6.058 -3.679 870 1HA GLY 115 2HA GLY 115 18.165 -7.785 -5.177 871 2HA GLY 115 1HA GLY 115 17.678 -6.154 -5.616 Start of MODEL 11 1 1H MET 1 1H MET 1 17.638 11.805 9.580 2 2H MET 1 2H MET 1 16.429 11.695 8.365 3 3H MET 1 3H MET 1 16.447 10.577 9.666 4 HA MET 1 HA MET 1 16.182 12.550 11.156 5 1HB MET 1 2HB MET 1 15.892 13.702 8.425 6 2HB MET 1 1HB MET 1 14.816 14.307 9.677 7 1HG MET 1 2HG MET 1 16.435 15.471 10.675 8 2HG MET 1 1HG MET 1 17.608 14.166 10.507 9 1HE MET 1 1HE MET 1 17.417 14.063 6.910 10 2HE MET 1 2HE MET 1 18.431 13.446 8.214 11 3HE MET 1 3HE MET 1 19.089 14.602 7.057 12 H SER 2 H SER 2 14.004 12.413 8.350 13 HA SER 2 HA SER 2 12.084 10.898 9.978 14 1HB SER 2 2HB SER 2 11.149 13.088 8.142 15 2HB SER 2 1HB SER 2 10.301 12.339 9.494 16 HG SER 2 HG SER 2 11.537 13.479 10.908 17 H GLU 3 H GLU 3 13.711 9.675 8.187 18 HA GLU 3 HA GLU 3 13.742 8.289 6.384 19 1HB GLU 3 2HB GLU 3 10.747 8.474 6.262 20 2HB GLU 3 1HB GLU 3 11.778 7.101 5.909 21 1HG GLU 3 2HG GLU 3 11.100 6.395 7.921 22 2HG GLU 3 1HG GLU 3 12.363 7.475 8.510 23 H THR 4 H THR 4 12.362 8.031 4.089 24 HA THR 4 HA THR 4 12.047 10.689 2.918 25 HB THR 4 HB THR 4 13.993 8.607 1.906 26 HG1 THR 4 HG1 THR 4 15.232 9.748 3.158 27 1HG2 THR 4 1HG2 THR 4 12.852 11.004 0.572 28 2HG2 THR 4 2HG2 THR 4 13.299 9.436 -0.101 29 3HG2 THR 4 3HG2 THR 4 14.551 10.606 0.314 30 H VAL 5 H VAL 5 10.090 10.623 2.031 31 HA VAL 5 HA VAL 5 8.657 8.321 1.388 32 HB VAL 5 HB VAL 5 8.339 11.187 0.531 33 1HG1 VAL 5 1HG1 VAL 5 6.110 10.540 -0.373 34 2HG1 VAL 5 2HG1 VAL 5 6.601 8.851 -0.251 35 3HG1 VAL 5 3HG1 VAL 5 7.468 9.947 -1.327 36 1HG2 VAL 5 1HG2 VAL 5 7.756 9.966 2.870 37 2HG2 VAL 5 2HG2 VAL 5 6.233 9.754 2.006 38 3HG2 VAL 5 3HG2 VAL 5 6.892 11.373 2.248 39 H ILE 6 H ILE 6 8.154 7.311 -0.584 40 HA ILE 6 HA ILE 6 10.234 7.636 -2.627 41 HB ILE 6 HB ILE 6 8.313 5.361 -2.717 42 1HG1 ILE 6 2HG1 ILE 6 10.426 5.787 -0.633 43 2HG1 ILE 6 1HG1 ILE 6 8.820 5.102 -0.462 44 1HG2 ILE 6 1HG2 ILE 6 11.274 5.296 -3.140 45 2HG2 ILE 6 2HG2 ILE 6 10.194 5.936 -4.380 46 3HG2 ILE 6 3HG2 ILE 6 10.022 4.266 -3.839 47 1HD1 ILE 6 1HD1 ILE 6 10.079 3.228 -0.232 48 2HD1 ILE 6 2HD1 ILE 6 11.344 3.808 -1.313 49 3HD1 ILE 6 3HD1 ILE 6 9.826 3.205 -1.976 50 H CYS 7 H CYS 7 6.797 6.646 -2.712 51 HA CYS 7 HA CYS 7 6.375 8.572 -4.882 52 1HB CYS 7 2HB CYS 7 6.625 5.809 -5.283 53 2HB CYS 7 1HB CYS 7 4.899 6.140 -5.389 54 HG CYS 7 HG CYS 7 6.548 6.471 -7.655 55 H SER 8 H SER 8 3.854 8.266 -5.541 56 HA SER 8 HA SER 8 2.164 7.943 -3.198 57 1HB SER 8 2HB SER 8 1.504 10.492 -4.387 58 2HB SER 8 1HB SER 8 1.866 10.115 -2.707 59 HG SER 8 HG SER 8 3.627 10.882 -4.771 60 H SER 9 H SER 9 0.333 6.977 -3.832 61 HA SER 9 HA SER 9 -0.726 7.618 -6.501 62 1HB SER 9 2HB SER 9 0.332 5.536 -6.875 63 2HB SER 9 1HB SER 9 -0.233 4.883 -5.339 64 HG SER 9 HG SER 9 -2.236 4.643 -6.161 65 H ARG 10 H ARG 10 -2.974 7.448 -6.751 66 HA ARG 10 HA ARG 10 -4.461 7.625 -4.239 67 1HB ARG 10 2HB ARG 10 -4.603 9.271 -6.298 68 2HB ARG 10 1HB ARG 10 -5.720 8.064 -6.918 69 1HG ARG 10 2HG ARG 10 -6.748 8.355 -4.477 70 2HG ARG 10 1HG ARG 10 -6.020 9.951 -4.663 71 1HD ARG 10 2HD ARG 10 -8.085 8.642 -6.419 72 2HD ARG 10 1HD ARG 10 -8.259 10.101 -5.447 73 HE ARG 10 HE ARG 10 -7.003 11.292 -7.032 74 1HH1 ARG 10 2HH1 ARG 10 -7.420 7.945 -7.958 75 2HH1 ARG 10 1HH1 ARG 10 -7.000 8.227 -9.613 76 1HH2 ARG 10 1HH2 ARG 10 -6.452 11.652 -9.207 77 2HH2 ARG 10 2HH2 ARG 10 -6.450 10.326 -10.321 78 H ALA 11 H ALA 11 -5.737 6.030 -3.529 79 HA ALA 11 HA ALA 11 -7.140 4.252 -5.259 80 1HB ALA 11 1HB ALA 11 -5.036 2.850 -3.670 81 2HB ALA 11 2HB ALA 11 -4.654 3.500 -5.263 82 3HB ALA 11 3HB ALA 11 -5.925 2.294 -5.084 83 H THR 12 H THR 12 -7.758 2.178 -3.782 84 HA THR 12 HA THR 12 -8.619 3.280 -1.188 85 HB THR 12 HB THR 12 -10.122 1.182 -2.749 86 HG1 THR 12 HG1 THR 12 -10.185 2.947 -4.059 87 1HG2 THR 12 1HG2 THR 12 -10.600 1.540 -0.297 88 2HG2 THR 12 2HG2 THR 12 -11.970 1.692 -1.397 89 3HG2 THR 12 3HG2 THR 12 -11.196 3.137 -0.746 90 H VAL 13 H VAL 13 -6.944 2.412 0.011 91 HA VAL 13 HA VAL 13 -5.738 -0.020 -0.141 92 HB VAL 13 HB VAL 13 -6.475 1.547 2.327 93 1HG1 VAL 13 1HG1 VAL 13 -4.746 0.198 3.498 94 2HG1 VAL 13 2HG1 VAL 13 -4.698 -0.880 2.104 95 3HG1 VAL 13 3HG1 VAL 13 -6.177 -0.730 3.050 96 1HG2 VAL 13 1HG2 VAL 13 -3.898 1.236 0.796 97 2HG2 VAL 13 2HG2 VAL 13 -4.104 2.185 2.264 98 3HG2 VAL 13 3HG2 VAL 13 -4.949 2.651 0.787 99 H MET 14 H MET 14 -5.998 -2.032 0.957 100 HA MET 14 HA MET 14 -8.604 -2.686 2.044 101 1HB MET 14 2HB MET 14 -8.513 -2.915 -0.593 102 2HB MET 14 1HB MET 14 -7.686 -4.412 -0.218 103 1HG MET 14 2HG MET 14 -9.546 -5.399 0.602 104 2HG MET 14 1HG MET 14 -10.204 -3.892 1.230 105 1HE MET 14 1HE MET 14 -12.685 -4.588 0.378 106 2HE MET 14 2HE MET 14 -13.099 -3.583 -1.011 107 3HE MET 14 3HE MET 14 -12.202 -2.892 0.341 108 H LEU 15 H LEU 15 -8.589 -4.498 3.340 109 HA LEU 15 HA LEU 15 -5.998 -5.877 3.616 110 1HB LEU 15 2HB LEU 15 -7.662 -4.514 5.595 111 2HB LEU 15 1HB LEU 15 -7.255 -6.154 6.064 112 HG LEU 15 HG LEU 15 -5.350 -3.893 5.474 113 1HD1 LEU 15 1HD1 LEU 15 -5.208 -5.496 7.943 114 2HD1 LEU 15 2HD1 LEU 15 -6.617 -4.448 7.776 115 3HD1 LEU 15 3HD1 LEU 15 -4.994 -3.763 7.697 116 1HD2 LEU 15 1HD2 LEU 15 -3.677 -5.755 6.258 117 2HD2 LEU 15 2HD2 LEU 15 -4.148 -5.618 4.565 118 3HD2 LEU 15 3HD2 LEU 15 -4.903 -6.834 5.594 119 H TYR 16 H TYR 16 -6.173 -7.914 2.953 120 HA TYR 16 HA TYR 16 -8.687 -9.216 2.661 121 1HB TYR 16 2HB TYR 16 -6.504 -9.557 1.300 122 2HB TYR 16 1HB TYR 16 -6.066 -10.673 2.587 123 HD1 TYR 16 HD1 TYR 16 -8.394 -10.039 -0.180 124 HD2 TYR 16 HD2 TYR 16 -7.187 -12.793 2.831 125 HE1 TYR 16 HE1 TYR 16 -9.721 -11.798 -1.270 126 HE2 TYR 16 HE2 TYR 16 -8.509 -14.565 1.754 127 HH TYR 16 HH TYR 16 -10.756 -13.904 -0.766 128 H ASP 17 H ASP 17 -9.425 -11.108 3.652 129 HA ASP 17 HA ASP 17 -8.297 -11.630 6.322 130 1HB ASP 17 2HB ASP 17 -10.815 -10.568 5.759 131 2HB ASP 17 1HB ASP 17 -11.128 -12.266 6.101 132 H ASP 18 H ASP 18 -7.082 -13.369 5.498 133 HA ASP 18 HA ASP 18 -7.941 -15.427 3.875 134 1HB ASP 18 2HB ASP 18 -6.141 -16.767 4.842 135 2HB ASP 18 1HB ASP 18 -5.602 -15.112 4.574 136 H GLY 19 H GLY 19 -8.792 -14.796 7.162 137 1HA GLY 19 2HA GLY 19 -9.479 -17.331 8.087 138 2HA GLY 19 1HA GLY 19 -10.263 -15.839 8.586 139 H ASN 20 H ASN 20 -11.379 -15.066 6.144 140 HA ASN 20 HA ASN 20 -13.236 -17.272 5.548 141 1HB ASN 20 2HB ASN 20 -13.857 -14.390 6.174 142 2HB ASN 20 1HB ASN 20 -14.987 -15.409 5.285 143 1HD2 ASN 20 1HD2 ASN 20 -13.120 -15.251 8.279 144 2HD2 ASN 20 2HD2 ASN 20 -14.269 -16.100 9.250 145 H LYS 21 H LYS 21 -10.817 -15.850 4.228 146 HA LYS 21 HA LYS 21 -10.167 -15.121 2.174 147 1HB LYS 21 2HB LYS 21 -12.259 -17.179 1.596 148 2HB LYS 21 1HB LYS 21 -11.455 -16.343 0.279 149 1HG LYS 21 2HG LYS 21 -9.542 -17.322 2.199 150 2HG LYS 21 1HG LYS 21 -10.584 -18.622 1.618 151 1HD LYS 21 2HD LYS 21 -9.703 -18.566 -0.452 152 2HD LYS 21 1HD LYS 21 -9.617 -16.804 -0.474 153 1HE LYS 21 2HE LYS 21 -7.748 -17.981 1.414 154 2HE LYS 21 1HE LYS 21 -7.487 -18.557 -0.231 155 1HZ LYS 21 1HZ LYS 21 -7.904 -15.700 0.039 156 2HZ LYS 21 2HZ LYS 21 -6.794 -16.547 -0.914 157 3HZ LYS 21 3HZ LYS 21 -6.473 -16.287 0.725 158 H ARG 22 H ARG 22 -10.825 -12.943 2.483 159 HA ARG 22 HA ARG 22 -12.448 -11.915 0.436 160 1HB ARG 22 2HB ARG 22 -14.202 -10.889 2.019 161 2HB ARG 22 1HB ARG 22 -14.398 -12.572 1.549 162 1HG ARG 22 2HG ARG 22 -14.418 -13.186 3.673 163 2HG ARG 22 1HG ARG 22 -12.815 -12.486 3.909 164 1HD ARG 22 2HD ARG 22 -13.668 -10.468 4.665 165 2HD ARG 22 1HD ARG 22 -15.234 -10.728 3.897 166 HE ARG 22 HE ARG 22 -14.404 -11.627 6.501 167 1HH1 ARG 22 2HH1 ARG 22 -16.614 -12.157 3.852 168 2HH1 ARG 22 1HH1 ARG 22 -17.798 -12.951 4.836 169 1HH2 ARG 22 1HH2 ARG 22 -15.960 -12.670 7.795 170 2HH2 ARG 22 2HH2 ARG 22 -17.428 -13.241 7.074 171 H TRP 23 H TRP 23 -12.384 -9.635 0.332 172 HA TRP 23 HA TRP 23 -10.123 -8.466 1.594 173 1HB TRP 23 2HB TRP 23 -12.251 -7.494 -0.266 174 2HB TRP 23 1HB TRP 23 -11.235 -6.315 0.550 175 HD1 TRP 23 HD1 TRP 23 -11.387 -7.860 -2.624 176 HE1 TRP 23 HE1 TRP 23 -9.090 -8.119 -3.746 177 HE3 TRP 23 HE3 TRP 23 -8.411 -7.116 1.456 178 HZ2 TRP 23 HZ2 TRP 23 -6.371 -8.013 -3.002 179 HZ3 TRP 23 HZ3 TRP 23 -5.970 -7.206 1.165 180 HH2 TRP 23 HH2 TRP 23 -4.973 -7.645 -1.016 181 H LEU 24 H LEU 24 -10.310 -6.272 2.685 182 HA LEU 24 HA LEU 24 -12.665 -5.687 4.185 183 1HB LEU 24 2HB LEU 24 -10.843 -7.590 5.280 184 2HB LEU 24 1HB LEU 24 -10.750 -6.127 6.243 185 HG LEU 24 HG LEU 24 -13.235 -7.746 5.679 186 1HD1 LEU 24 1HD1 LEU 24 -11.308 -7.594 7.911 187 2HD1 LEU 24 2HD1 LEU 24 -12.302 -8.939 7.355 188 3HD1 LEU 24 3HD1 LEU 24 -13.016 -7.665 8.342 189 1HD2 LEU 24 1HD2 LEU 24 -14.097 -5.617 5.812 190 2HD2 LEU 24 2HD2 LEU 24 -12.824 -5.053 6.894 191 3HD2 LEU 24 3HD2 LEU 24 -14.104 -6.098 7.509 192 HA PRO 25 HA PRO 25 -10.606 -1.744 3.453 193 1HB PRO 25 2HB PRO 25 -12.470 -1.114 5.713 194 2HB PRO 25 1HB PRO 25 -12.134 -0.187 4.246 195 1HG PRO 25 2HG PRO 25 -14.340 -1.669 4.444 196 2HG PRO 25 1HG PRO 25 -13.446 -1.558 2.917 197 1HD PRO 25 2HD PRO 25 -13.639 -3.812 4.830 198 2HD PRO 25 1HD PRO 25 -13.321 -3.834 3.086 199 H ALA 26 H ALA 26 -8.539 -2.077 4.216 200 HA ALA 26 HA ALA 26 -7.639 -2.770 6.688 201 1HB ALA 26 1HB ALA 26 -6.277 -2.326 4.613 202 2HB ALA 26 2HB ALA 26 -5.553 -1.804 6.133 203 3HB ALA 26 3HB ALA 26 -6.306 -0.622 5.063 204 H GLY 27 H GLY 27 -8.519 0.488 5.631 205 1HA GLY 27 2HA GLY 27 -7.751 1.917 7.892 206 2HA GLY 27 1HA GLY 27 -9.066 2.374 6.821 207 H THR 28 H THR 28 -11.198 1.640 7.298 208 HA THR 28 HA THR 28 -11.665 0.316 9.830 209 HB THR 28 HB THR 28 -13.373 2.437 10.149 210 HG1 THR 28 HG1 THR 28 -12.090 3.481 8.432 211 1HG2 THR 28 1HG2 THR 28 -10.598 2.420 11.291 212 2HG2 THR 28 2HG2 THR 28 -11.890 1.364 11.861 213 3HG2 THR 28 3HG2 THR 28 -12.060 3.115 11.989 214 H GLY 29 H GLY 29 -13.783 2.507 8.036 215 1HA GLY 29 2HA GLY 29 -15.336 0.157 7.150 216 2HA GLY 29 1HA GLY 29 -16.123 1.547 7.880 217 HA PRO 30 HA PRO 30 -16.661 3.778 4.129 218 1HB PRO 30 2HB PRO 30 -14.569 5.737 4.973 219 2HB PRO 30 1HB PRO 30 -16.214 6.028 4.392 220 1HG PRO 30 2HG PRO 30 -15.638 6.238 6.980 221 2HG PRO 30 1HG PRO 30 -17.170 5.523 6.445 222 1HD PRO 30 2HD PRO 30 -14.735 4.195 7.534 223 2HD PRO 30 1HD PRO 30 -16.444 3.751 7.718 224 H GLN 31 H GLN 31 -15.519 4.602 2.155 225 HA GLN 31 HA GLN 31 -12.773 3.705 1.838 226 1HB GLN 31 2HB GLN 31 -15.117 2.321 0.678 227 2HB GLN 31 1HB GLN 31 -13.770 2.598 -0.417 228 1HG GLN 31 2HG GLN 31 -12.293 1.342 0.925 229 2HG GLN 31 1HG GLN 31 -13.428 1.309 2.273 230 1HE2 GLN 31 1HE2 GLN 31 -12.365 -0.227 -0.560 231 2HE2 GLN 31 2HE2 GLN 31 -13.541 -1.493 -0.603 232 H ALA 32 H ALA 32 -13.058 6.205 1.798 233 HA ALA 32 HA ALA 32 -13.815 7.192 -0.844 234 1HB ALA 32 1HB ALA 32 -14.623 8.516 0.969 235 2HB ALA 32 2HB ALA 32 -13.347 9.434 0.172 236 3HB ALA 32 3HB ALA 32 -13.018 8.607 1.694 237 H PHE 33 H PHE 33 -11.698 5.533 -1.064 238 HA PHE 33 HA PHE 33 -9.570 5.340 -1.838 239 1HB PHE 33 2HB PHE 33 -10.227 8.168 -2.619 240 2HB PHE 33 1HB PHE 33 -8.653 7.474 -2.967 241 HD1 PHE 33 HD1 PHE 33 -8.379 5.768 -4.618 242 HD2 PHE 33 HD2 PHE 33 -12.230 7.343 -3.736 243 HE1 PHE 33 HE1 PHE 33 -9.261 4.735 -6.661 244 HE2 PHE 33 HE2 PHE 33 -13.124 6.311 -5.784 245 HZ PHE 33 HZ PHE 33 -11.639 5.004 -7.252 246 H SER 34 H SER 34 -7.317 6.645 -1.793 247 HA SER 34 HA SER 34 -6.830 8.244 0.495 248 1HB SER 34 2HB SER 34 -7.122 6.361 1.872 249 2HB SER 34 1HB SER 34 -6.348 5.280 0.714 250 HG SER 34 HG SER 34 -4.555 5.653 1.718 251 H ARG 35 H ARG 35 -4.733 9.016 0.568 252 HA ARG 35 HA ARG 35 -3.159 8.490 -1.837 253 1HB ARG 35 2HB ARG 35 -3.734 10.841 -1.133 254 2HB ARG 35 1HB ARG 35 -2.709 10.606 0.276 255 1HG ARG 35 2HG ARG 35 -1.265 9.892 -2.091 256 2HG ARG 35 1HG ARG 35 -1.963 11.503 -2.277 257 1HD ARG 35 2HD ARG 35 -0.531 10.761 0.244 258 2HD ARG 35 1HD ARG 35 0.383 11.229 -1.190 259 HE ARG 35 HE ARG 35 -1.523 13.188 -0.833 260 1HH1 ARG 35 2HH1 ARG 35 1.138 11.877 1.004 261 2HH1 ARG 35 1HH1 ARG 35 1.464 13.364 1.831 262 1HH2 ARG 35 1HH2 ARG 35 -1.096 15.146 0.252 263 2HH2 ARG 35 2HH2 ARG 35 0.195 15.219 1.406 264 H VAL 36 H VAL 36 -2.054 6.620 -1.464 265 HA VAL 36 HA VAL 36 -0.593 6.360 1.050 266 HB VAL 36 HB VAL 36 -0.918 4.296 -1.124 267 1HG1 VAL 36 1HG1 VAL 36 0.147 4.179 1.689 268 2HG1 VAL 36 2HG1 VAL 36 0.993 3.785 0.194 269 3HG1 VAL 36 3HG1 VAL 36 -0.311 2.747 0.769 270 1HG2 VAL 36 1HG2 VAL 36 -2.921 5.271 0.463 271 2HG2 VAL 36 2HG2 VAL 36 -2.335 3.899 1.402 272 3HG2 VAL 36 3HG2 VAL 36 -2.887 3.662 -0.256 273 H GLN 37 H GLN 37 1.447 6.759 1.219 274 HA GLN 37 HA GLN 37 3.124 6.845 -1.196 275 1HB GLN 37 2HB GLN 37 3.133 8.499 1.313 276 2HB GLN 37 1HB GLN 37 4.563 8.387 0.297 277 1HG GLN 37 2HG GLN 37 3.038 9.125 -1.607 278 2HG GLN 37 1HG GLN 37 1.889 9.570 -0.349 279 1HE2 GLN 37 1HE2 GLN 37 4.139 10.788 -2.316 280 2HE2 GLN 37 2HE2 GLN 37 4.698 12.123 -1.376 281 H ILE 38 H ILE 38 5.419 6.244 -0.814 282 HA ILE 38 HA ILE 38 5.566 4.130 1.228 283 HB ILE 38 HB ILE 38 7.208 4.398 -1.295 284 1HG1 ILE 38 2HG1 ILE 38 4.891 2.564 -0.643 285 2HG1 ILE 38 1HG1 ILE 38 4.851 3.912 -1.774 286 1HG2 ILE 38 1HG2 ILE 38 6.983 2.054 0.591 287 2HG2 ILE 38 2HG2 ILE 38 8.302 3.225 0.620 288 3HG2 ILE 38 3HG2 ILE 38 8.056 2.210 -0.800 289 1HD1 ILE 38 1HD1 ILE 38 5.372 2.460 -3.356 290 2HD1 ILE 38 2HD1 ILE 38 5.715 1.198 -2.173 291 3HD1 ILE 38 3HD1 ILE 38 6.974 2.348 -2.628 292 H TYR 39 H TYR 39 7.408 3.949 2.519 293 HA TYR 39 HA TYR 39 8.998 6.417 2.645 294 1HB TYR 39 2HB TYR 39 7.943 4.555 4.718 295 2HB TYR 39 1HB TYR 39 9.463 5.387 5.044 296 HD1 TYR 39 HD1 TYR 39 9.210 7.265 6.350 297 HD2 TYR 39 HD2 TYR 39 6.173 6.321 3.528 298 HE1 TYR 39 HE1 TYR 39 7.979 9.287 7.008 299 HE2 TYR 39 HE2 TYR 39 4.932 8.336 4.170 300 HH TYR 39 HH TYR 39 4.746 9.871 6.026 301 H HIS 40 H HIS 40 10.993 6.287 1.950 302 HA HIS 40 HA HIS 40 12.289 3.687 1.734 303 1HB HIS 40 2HB HIS 40 12.262 5.188 -0.229 304 2HB HIS 40 1HB HIS 40 13.162 6.388 0.685 305 HD1 HIS 40 HD1 HIS 40 13.890 4.453 -1.951 306 HD2 HIS 40 HD2 HIS 40 15.559 4.517 1.853 307 HE1 HIS 40 HE1 HIS 40 16.180 3.446 -2.204 308 HE2 HIS 40 HE2 HIS 40 17.206 3.584 0.091 309 H ASN 41 H ASN 41 12.795 3.307 3.901 310 HA ASN 41 HA ASN 41 14.633 5.167 5.219 311 1HB ASN 41 2HB ASN 41 13.485 2.634 6.390 312 2HB ASN 41 1HB ASN 41 14.172 4.007 7.248 313 1HD2 ASN 41 1HD2 ASN 41 12.029 3.588 8.361 314 2HD2 ASN 41 2HD2 ASN 41 10.673 4.487 7.779 315 HA PRO 42 HA PRO 42 17.684 2.098 3.811 316 1HB PRO 42 2HB PRO 42 19.689 3.756 3.332 317 2HB PRO 42 1HB PRO 42 18.303 3.691 2.239 318 1HG PRO 42 2HG PRO 42 18.940 5.691 4.373 319 2HG PRO 42 1HG PRO 42 18.293 5.961 2.745 320 1HD PRO 42 2HD PRO 42 16.767 5.860 5.055 321 2HD PRO 42 1HD PRO 42 16.150 5.584 3.416 322 H THR 43 H THR 43 17.859 4.497 6.345 323 HA THR 43 HA THR 43 20.273 3.996 7.547 324 HB THR 43 HB THR 43 19.151 4.571 9.703 325 HG1 THR 43 HG1 THR 43 16.840 4.381 8.083 326 1HG2 THR 43 1HG2 THR 43 19.856 6.389 8.254 327 2HG2 THR 43 2HG2 THR 43 18.354 6.786 9.089 328 3HG2 THR 43 3HG2 THR 43 18.320 6.307 7.391 329 H ALA 44 H ALA 44 17.429 1.990 7.479 330 HA ALA 44 HA ALA 44 18.919 -0.102 8.914 331 1HB ALA 44 1HB ALA 44 15.974 0.489 9.184 332 2HB ALA 44 2HB ALA 44 17.213 0.777 10.405 333 3HB ALA 44 3HB ALA 44 16.821 -0.872 9.921 334 H ASN 45 H ASN 45 17.807 0.762 6.008 335 HA ASN 45 HA ASN 45 17.321 -0.328 4.080 336 1HB ASN 45 2HB ASN 45 18.951 -2.126 5.593 337 2HB ASN 45 1HB ASN 45 17.719 -3.066 4.759 338 1HD2 ASN 45 1HD2 ASN 45 17.403 -1.530 2.469 339 2HD2 ASN 45 2HD2 ASN 45 18.858 -1.609 1.540 340 H SER 46 H SER 46 15.194 0.316 5.553 341 HA SER 46 HA SER 46 13.389 -1.971 5.120 342 1HB SER 46 2HB SER 46 13.089 -0.054 7.435 343 2HB SER 46 1HB SER 46 12.196 -1.548 7.149 344 HG SER 46 HG SER 46 14.120 -1.480 8.688 345 H PHE 47 H PHE 47 11.227 -1.440 4.568 346 HA PHE 47 HA PHE 47 10.876 1.344 3.667 347 1HB PHE 47 2HB PHE 47 10.177 -1.243 2.298 348 2HB PHE 47 1HB PHE 47 9.376 0.260 1.872 349 HD1 PHE 47 HD1 PHE 47 10.861 2.233 1.209 350 HD2 PHE 47 HD2 PHE 47 12.215 -1.793 1.339 351 HE1 PHE 47 HE1 PHE 47 12.732 2.822 -0.274 352 HE2 PHE 47 HE2 PHE 47 14.093 -1.214 -0.145 353 HZ PHE 47 HZ PHE 47 14.354 1.097 -0.952 354 H ARG 48 H ARG 48 8.559 1.991 3.430 355 HA ARG 48 HA ARG 48 6.704 0.516 5.128 356 1HB ARG 48 2HB ARG 48 8.044 3.013 5.886 357 2HB ARG 48 1HB ARG 48 6.296 3.065 6.053 358 1HG ARG 48 2HG ARG 48 6.289 1.285 7.589 359 2HG ARG 48 1HG ARG 48 7.961 0.858 7.219 360 1HD ARG 48 2HD ARG 48 8.802 2.746 8.333 361 2HD ARG 48 1HD ARG 48 7.227 3.539 8.357 362 HE ARG 48 HE ARG 48 6.873 1.259 9.819 363 1HH1 ARG 48 2HH1 ARG 48 9.056 3.977 9.986 364 2HH1 ARG 48 1HH1 ARG 48 9.230 3.891 11.707 365 1HH2 ARG 48 1HH2 ARG 48 7.100 1.144 12.082 366 2HH2 ARG 48 2HH2 ARG 48 8.121 2.283 12.897 367 H VAL 49 H VAL 49 4.538 1.038 4.846 368 HA VAL 49 HA VAL 49 3.956 2.699 2.486 369 HB VAL 49 HB VAL 49 1.829 1.305 2.359 370 1HG1 VAL 49 1HG1 VAL 49 4.247 -0.408 1.955 371 2HG1 VAL 49 2HG1 VAL 49 4.008 1.052 0.996 372 3HG1 VAL 49 3HG1 VAL 49 2.813 -0.243 0.943 373 1HG2 VAL 49 1HG2 VAL 49 3.394 -0.572 4.125 374 2HG2 VAL 49 2HG2 VAL 49 1.797 -0.848 3.430 375 3HG2 VAL 49 3HG2 VAL 49 2.018 0.391 4.665 376 H VAL 50 H VAL 50 2.911 4.534 2.938 377 HA VAL 50 HA VAL 50 1.167 4.604 5.313 378 HB VAL 50 HB VAL 50 2.622 7.075 4.493 379 1HG1 VAL 50 1HG1 VAL 50 1.027 7.394 6.190 380 2HG1 VAL 50 2HG1 VAL 50 2.585 7.352 7.017 381 3HG1 VAL 50 3HG1 VAL 50 1.530 5.938 7.049 382 1HG2 VAL 50 1HG2 VAL 50 4.499 6.499 5.988 383 2HG2 VAL 50 2HG2 VAL 50 4.417 5.453 4.571 384 3HG2 VAL 50 3HG2 VAL 50 3.855 4.864 6.135 385 H GLY 51 H GLY 51 -0.859 5.103 4.811 386 1HA GLY 51 2HA GLY 51 -1.345 7.073 2.692 387 2HA GLY 51 1HA GLY 51 -2.132 5.507 2.575 388 H ARG 52 H ARG 52 -3.295 8.186 2.823 389 HA ARG 52 HA ARG 52 -4.955 7.649 5.183 390 1HB ARG 52 2HB ARG 52 -5.079 10.178 5.494 391 2HB ARG 52 1HB ARG 52 -3.589 9.388 5.990 392 1HG ARG 52 2HG ARG 52 -2.372 10.573 4.559 393 2HG ARG 52 1HG ARG 52 -3.483 10.248 3.227 394 1HD ARG 52 2HD ARG 52 -4.615 12.184 3.523 395 2HD ARG 52 1HD ARG 52 -4.438 12.144 5.277 396 HE ARG 52 HE ARG 52 -2.702 13.437 3.384 397 1HH1 ARG 52 2HH1 ARG 52 -2.933 12.061 6.584 398 2HH1 ARG 52 1HH1 ARG 52 -1.614 12.990 7.213 399 1HH2 ARG 52 1HH2 ARG 52 -0.966 14.657 4.210 400 2HH2 ARG 52 2HH2 ARG 52 -0.498 14.464 5.866 401 H LYS 53 H LYS 53 -7.089 8.615 5.087 402 HA LYS 53 HA LYS 53 -8.262 8.332 2.517 403 1HB LYS 53 2HB LYS 53 -9.354 9.329 5.147 404 2HB LYS 53 1HB LYS 53 -10.339 9.175 3.700 405 1HG LYS 53 2HG LYS 53 -8.916 6.958 5.154 406 2HG LYS 53 1HG LYS 53 -10.656 7.248 5.098 407 1HD LYS 53 2HD LYS 53 -10.379 7.029 2.540 408 2HD LYS 53 1HD LYS 53 -8.831 6.275 2.926 409 1HE LYS 53 2HE LYS 53 -10.500 4.958 4.616 410 2HE LYS 53 1HE LYS 53 -11.568 5.255 3.245 411 1HZ LYS 53 1HZ LYS 53 -8.918 4.258 2.597 412 2HZ LYS 53 2HZ LYS 53 -10.421 3.852 1.935 413 3HZ LYS 53 3HZ LYS 53 -9.933 3.169 3.404 414 H MET 54 H MET 54 -9.570 9.957 1.414 415 HA MET 54 HA MET 54 -8.249 12.575 1.494 416 1HB MET 54 2HB MET 54 -10.065 11.572 -0.691 417 2HB MET 54 1HB MET 54 -8.879 12.868 -0.772 418 1HG MET 54 2HG MET 54 -7.171 10.985 -0.258 419 2HG MET 54 1HG MET 54 -8.460 9.915 -0.806 420 1HE MET 54 1HE MET 54 -5.460 10.346 -2.017 421 2HE MET 54 2HE MET 54 -5.508 12.100 -1.831 422 3HE MET 54 3HE MET 54 -5.376 11.387 -3.440 423 H GLN 55 H GLN 55 -10.002 12.244 3.528 424 HA GLN 55 HA GLN 55 -12.334 13.842 2.690 425 1HB GLN 55 2HB GLN 55 -13.390 12.872 4.829 426 2HB GLN 55 1HB GLN 55 -13.267 11.826 3.423 427 1HG GLN 55 2HG GLN 55 -11.275 10.783 4.366 428 2HG GLN 55 1HG GLN 55 -11.390 11.837 5.773 429 1HE2 GLN 55 1HE2 GLN 55 -12.067 8.837 4.640 430 2HE2 GLN 55 2HE2 GLN 55 -13.332 8.389 5.729 431 HA PRO 56 HA PRO 56 -11.356 17.202 5.346 432 1HB PRO 56 2HB PRO 56 -13.852 16.633 6.881 433 2HB PRO 56 1HB PRO 56 -13.294 18.148 6.160 434 1HG PRO 56 2HG PRO 56 -15.220 16.730 5.000 435 2HG PRO 56 1HG PRO 56 -13.977 17.539 4.028 436 1HD PRO 56 2HD PRO 56 -14.278 14.649 4.698 437 2HD PRO 56 1HD PRO 56 -13.668 15.407 3.214 438 H ASP 57 H ASP 57 -12.306 14.175 6.824 439 HA ASP 57 HA ASP 57 -11.356 14.816 9.443 440 1HB ASP 57 2HB ASP 57 -12.409 12.404 8.067 441 2HB ASP 57 1HB ASP 57 -11.392 12.131 9.479 442 H GLN 58 H GLN 58 -10.039 13.048 6.673 443 HA GLN 58 HA GLN 58 -7.925 12.395 6.141 444 1HB GLN 58 2HB GLN 58 -7.170 14.501 8.175 445 2HB GLN 58 1HB GLN 58 -6.053 13.738 7.052 446 1HG GLN 58 2HG GLN 58 -8.053 14.671 5.410 447 2HG GLN 58 1HG GLN 58 -7.915 15.928 6.639 448 1HE2 GLN 58 1HE2 GLN 58 -7.109 15.621 3.710 449 2HE2 GLN 58 2HE2 GLN 58 -5.476 16.184 3.676 450 H GLN 59 H GLN 59 -7.813 10.316 6.817 451 HA GLN 59 HA GLN 59 -6.529 9.851 9.412 452 1HB GLN 59 2HB GLN 59 -8.005 8.011 9.933 453 2HB GLN 59 1HB GLN 59 -8.967 9.456 9.658 454 1HG GLN 59 2HG GLN 59 -9.515 8.681 7.416 455 2HG GLN 59 1HG GLN 59 -8.530 7.241 7.667 456 1HE2 GLN 59 1HE2 GLN 59 -9.781 5.547 7.937 457 2HE2 GLN 59 2HE2 GLN 59 -11.230 5.484 8.877 458 H VAL 60 H VAL 60 -4.983 8.286 9.400 459 HA VAL 60 HA VAL 60 -4.045 7.358 6.875 460 HB VAL 60 HB VAL 60 -2.279 6.241 8.095 461 1HG1 VAL 60 1HG1 VAL 60 -3.008 9.032 8.618 462 2HG1 VAL 60 2HG1 VAL 60 -1.504 8.345 8.003 463 3HG1 VAL 60 3HG1 VAL 60 -1.824 8.360 9.738 464 1HG2 VAL 60 1HG2 VAL 60 -2.614 6.854 10.765 465 2HG2 VAL 60 2HG2 VAL 60 -2.819 5.263 10.030 466 3HG2 VAL 60 3HG2 VAL 60 -4.217 6.313 10.265 467 H VAL 61 H VAL 61 -4.677 5.625 5.791 468 HA VAL 61 HA VAL 61 -6.310 3.620 7.142 469 HB VAL 61 HB VAL 61 -7.080 2.926 5.025 470 1HG1 VAL 61 1HG1 VAL 61 -8.254 4.764 4.480 471 2HG1 VAL 61 2HG1 VAL 61 -6.807 5.737 4.217 472 3HG1 VAL 61 3HG1 VAL 61 -7.414 5.485 5.854 473 1HG2 VAL 61 1HG2 VAL 61 -5.939 4.150 2.954 474 2HG2 VAL 61 2HG2 VAL 61 -5.355 2.608 3.582 475 3HG2 VAL 61 3HG2 VAL 61 -4.545 4.107 4.035 476 H ILE 62 H ILE 62 -3.133 4.043 5.904 477 HA ILE 62 HA ILE 62 -2.505 1.271 6.591 478 HB ILE 62 HB ILE 62 -2.771 1.346 4.125 479 1HG1 ILE 62 2HG1 ILE 62 0.148 1.020 4.777 480 2HG1 ILE 62 1HG1 ILE 62 -1.058 -0.092 5.413 481 1HG2 ILE 62 1HG2 ILE 62 -1.360 2.635 2.728 482 2HG2 ILE 62 2HG2 ILE 62 -0.356 3.140 4.089 483 3HG2 ILE 62 3HG2 ILE 62 -2.007 3.744 3.938 484 1HD1 ILE 62 1HD1 ILE 62 -1.702 -0.088 2.787 485 2HD1 ILE 62 2HD1 ILE 62 -0.614 -1.247 3.552 486 3HD1 ILE 62 3HD1 ILE 62 0.043 0.157 2.712 487 H ASN 63 H ASN 63 -0.617 1.058 7.673 488 HA ASN 63 HA ASN 63 1.468 3.031 7.489 489 1HB ASN 63 2HB ASN 63 1.395 3.694 9.859 490 2HB ASN 63 1HB ASN 63 -0.071 4.171 9.012 491 1HD2 ASN 63 1HD2 ASN 63 -0.875 4.310 11.240 492 2HD2 ASN 63 2HD2 ASN 63 -1.520 2.883 11.970 493 H CYS 64 H CYS 64 1.963 0.630 6.782 494 HA CYS 64 HA CYS 64 3.160 -0.730 9.110 495 1HB CYS 64 2HB CYS 64 1.265 -1.812 7.521 496 2HB CYS 64 1HB CYS 64 2.708 -2.289 6.632 497 HG CYS 64 HG CYS 64 3.138 -4.023 8.301 498 H ALA 65 H ALA 65 5.083 -2.113 8.483 499 HA ALA 65 HA ALA 65 6.760 -0.608 6.588 500 1HB ALA 65 1HB ALA 65 7.285 -0.760 9.150 501 2HB ALA 65 2HB ALA 65 8.582 -0.869 7.959 502 3HB ALA 65 3HB ALA 65 7.946 -2.334 8.706 503 H ILE 66 H ILE 66 7.569 -1.636 4.860 504 HA ILE 66 HA ILE 66 7.266 -4.562 4.776 505 HB ILE 66 HB ILE 66 7.670 -4.108 2.221 506 1HG1 ILE 66 2HG1 ILE 66 6.233 -1.559 2.889 507 2HG1 ILE 66 1HG1 ILE 66 7.992 -1.600 2.781 508 1HG2 ILE 66 1HG2 ILE 66 5.244 -4.058 3.890 509 2HG2 ILE 66 2HG2 ILE 66 5.679 -5.109 2.542 510 3HG2 ILE 66 3HG2 ILE 66 5.045 -3.494 2.230 511 1HD1 ILE 66 1HD1 ILE 66 7.140 -2.909 0.496 512 2HD1 ILE 66 2HD1 ILE 66 7.748 -1.253 0.606 513 3HD1 ILE 66 3HD1 ILE 66 6.011 -1.562 0.682 514 H VAL 67 H VAL 67 8.921 -5.863 4.143 515 HA VAL 67 HA VAL 67 11.524 -4.617 3.622 516 HB VAL 67 HB VAL 67 12.623 -6.259 5.105 517 1HG1 VAL 67 1HG1 VAL 67 11.777 -3.914 5.811 518 2HG1 VAL 67 2HG1 VAL 67 12.330 -5.038 7.053 519 3HG1 VAL 67 3HG1 VAL 67 10.603 -4.812 6.773 520 1HG2 VAL 67 1HG2 VAL 67 10.805 -7.161 6.874 521 2HG2 VAL 67 2HG2 VAL 67 11.360 -8.095 5.484 522 3HG2 VAL 67 3HG2 VAL 67 9.842 -7.201 5.397 523 H ARG 68 H ARG 68 13.063 -6.848 3.384 524 HA ARG 68 HA ARG 68 12.495 -7.770 0.825 525 1HB ARG 68 2HB ARG 68 14.733 -7.914 1.652 526 2HB ARG 68 1HB ARG 68 14.239 -8.912 3.010 527 1HG ARG 68 2HG ARG 68 13.511 -10.601 1.175 528 2HG ARG 68 1HG ARG 68 14.589 -9.664 0.143 529 1HD ARG 68 2HD ARG 68 16.103 -10.033 2.392 530 2HD ARG 68 1HD ARG 68 15.200 -11.543 2.294 531 HE ARG 68 HE ARG 68 17.274 -10.637 0.515 532 1HH1 ARG 68 2HH1 ARG 68 14.509 -12.741 0.866 533 2HH1 ARG 68 1HH1 ARG 68 15.024 -13.829 -0.378 534 1HH2 ARG 68 1HH2 ARG 68 17.949 -12.069 -1.122 535 2HH2 ARG 68 2HH2 ARG 68 16.977 -13.449 -1.505 536 H GLY 69 H GLY 69 10.368 -8.573 0.662 537 1HA GLY 69 2HA GLY 69 9.974 -11.284 0.943 538 2HA GLY 69 1HA GLY 69 9.384 -10.585 2.440 539 H VAL 70 H VAL 70 8.471 -8.106 0.951 540 HA VAL 70 HA VAL 70 5.948 -9.289 0.083 541 HB VAL 70 HB VAL 70 6.752 -6.628 1.137 542 1HG1 VAL 70 1HG1 VAL 70 5.765 -5.804 -0.821 543 2HG1 VAL 70 2HG1 VAL 70 4.483 -5.760 0.392 544 3HG1 VAL 70 3HG1 VAL 70 4.515 -7.046 -0.813 545 1HG2 VAL 70 1HG2 VAL 70 4.094 -7.863 1.541 546 2HG2 VAL 70 2HG2 VAL 70 5.148 -7.027 2.688 547 3HG2 VAL 70 3HG2 VAL 70 5.496 -8.694 2.223 548 H LYS 71 H LYS 71 5.457 -9.529 -1.966 549 HA LYS 71 HA LYS 71 6.739 -7.786 -3.962 550 1HB LYS 71 2HB LYS 71 7.720 -10.058 -3.988 551 2HB LYS 71 1HB LYS 71 6.121 -10.729 -4.279 552 1HG LYS 71 2HG LYS 71 7.115 -10.678 -6.381 553 2HG LYS 71 1HG LYS 71 6.077 -9.252 -6.363 554 1HD LYS 71 2HD LYS 71 8.121 -7.947 -5.620 555 2HD LYS 71 1HD LYS 71 9.064 -9.383 -6.027 556 1HE LYS 71 2HE LYS 71 7.254 -7.897 -7.929 557 2HE LYS 71 1HE LYS 71 9.005 -7.716 -7.850 558 1HZ LYS 71 1HZ LYS 71 8.094 -10.442 -8.130 559 2HZ LYS 71 2HZ LYS 71 9.328 -9.623 -8.947 560 3HZ LYS 71 3HZ LYS 71 7.722 -9.448 -9.448 561 H TYR 72 H TYR 72 5.277 -6.581 -4.951 562 HA TYR 72 HA TYR 72 2.539 -6.744 -4.707 563 1HB TYR 72 2HB TYR 72 4.416 -5.379 -6.539 564 2HB TYR 72 1HB TYR 72 2.774 -5.552 -7.142 565 HD1 TYR 72 HD1 TYR 72 2.661 -3.043 -7.124 566 HD2 TYR 72 HD2 TYR 72 3.165 -5.311 -3.554 567 HE1 TYR 72 HE1 TYR 72 1.977 -1.095 -5.791 568 HE2 TYR 72 HE2 TYR 72 2.484 -3.370 -2.219 569 HH TYR 72 HH TYR 72 1.404 -1.320 -2.359 570 H ASN 73 H ASN 73 1.006 -8.016 -5.499 571 HA ASN 73 HA ASN 73 1.730 -10.023 -7.488 572 1HB ASN 73 2HB ASN 73 0.367 -10.287 -5.182 573 2HB ASN 73 1HB ASN 73 -0.981 -10.009 -6.280 574 1HD2 ASN 73 1HD2 ASN 73 -1.106 -11.406 -8.179 575 2HD2 ASN 73 2HD2 ASN 73 -0.575 -13.044 -8.039 576 H GLN 74 H GLN 74 -0.303 -7.219 -7.095 577 HA GLN 74 HA GLN 74 -1.578 -6.028 -8.553 578 1HB GLN 74 2HB GLN 74 0.621 -6.685 -9.958 579 2HB GLN 74 1HB GLN 74 -0.594 -7.497 -10.935 580 1HG GLN 74 2HG GLN 74 -1.505 -4.867 -10.315 581 2HG GLN 74 1HG GLN 74 0.137 -4.777 -10.952 582 1HE2 GLN 74 1HE2 GLN 74 -2.574 -6.944 -11.669 583 2HE2 GLN 74 2HE2 GLN 74 -2.630 -6.597 -13.361 584 H ALA 75 H ALA 75 -3.392 -7.219 -7.640 585 HA ALA 75 HA ALA 75 -4.473 -9.569 -8.633 586 1HB ALA 75 1HB ALA 75 -5.537 -7.232 -7.161 587 2HB ALA 75 2HB ALA 75 -5.570 -8.947 -6.748 588 3HB ALA 75 3HB ALA 75 -6.714 -8.302 -7.926 589 H THR 76 H THR 76 -4.871 -6.260 -9.795 590 HA THR 76 HA THR 76 -5.736 -7.273 -12.373 591 HB THR 76 HB THR 76 -7.821 -6.244 -12.466 592 HG1 THR 76 HG1 THR 76 -8.457 -4.624 -10.974 593 1HG2 THR 76 1HG2 THR 76 -7.671 -6.893 -9.535 594 2HG2 THR 76 2HG2 THR 76 -7.900 -8.082 -10.817 595 3HG2 THR 76 3HG2 THR 76 -9.115 -6.833 -10.546 596 HA PRO 77 HA PRO 77 -3.713 -3.851 -14.276 597 1HB PRO 77 2HB PRO 77 -6.327 -2.613 -15.017 598 2HB PRO 77 1HB PRO 77 -4.921 -2.964 -16.030 599 1HG PRO 77 2HG PRO 77 -7.076 -4.512 -16.148 600 2HG PRO 77 1HG PRO 77 -5.450 -5.219 -16.213 601 1HD PRO 77 2HD PRO 77 -7.404 -5.159 -13.960 602 2HD PRO 77 1HD PRO 77 -6.257 -6.432 -14.425 603 H ASN 78 H ASN 78 -6.363 -3.119 -12.124 604 HA ASN 78 HA ASN 78 -4.911 -0.729 -11.224 605 1HB ASN 78 2HB ASN 78 -7.042 0.442 -10.877 606 2HB ASN 78 1HB ASN 78 -6.823 0.014 -12.571 607 1HD2 ASN 78 1HD2 ASN 78 -8.772 -0.299 -9.802 608 2HD2 ASN 78 2HD2 ASN 78 -9.969 -1.346 -10.476 609 H PHE 79 H PHE 79 -4.424 -3.013 -9.963 610 HA PHE 79 HA PHE 79 -5.487 -2.538 -7.339 611 1HB PHE 79 2HB PHE 79 -7.060 -4.178 -8.747 612 2HB PHE 79 1HB PHE 79 -5.881 -5.360 -8.191 613 HD1 PHE 79 HD1 PHE 79 -5.546 -5.709 -5.753 614 HD2 PHE 79 HD2 PHE 79 -8.679 -3.272 -7.287 615 HE1 PHE 79 HE1 PHE 79 -6.711 -5.852 -3.588 616 HE2 PHE 79 HE2 PHE 79 -9.849 -3.409 -5.127 617 HZ PHE 79 HZ PHE 79 -8.865 -4.699 -3.274 618 H HIS 80 H HIS 80 -3.531 -2.389 -6.390 619 HA HIS 80 HA HIS 80 -1.564 -4.498 -6.911 620 1HB HIS 80 2HB HIS 80 -1.350 -1.657 -6.104 621 2HB HIS 80 1HB HIS 80 -0.139 -2.766 -5.469 622 HD1 HIS 80 HD1 HIS 80 -0.299 -0.487 -8.033 623 HD2 HIS 80 HD2 HIS 80 0.609 -4.539 -7.991 624 HE1 HIS 80 HE1 HIS 80 0.990 -0.908 -10.148 625 HE2 HIS 80 HE2 HIS 80 1.464 -3.381 -10.138 626 H GLN 81 H GLN 81 -1.884 -6.160 -5.597 627 HA GLN 81 HA GLN 81 -2.305 -5.617 -2.734 628 1HB GLN 81 2HB GLN 81 -4.210 -6.774 -3.220 629 2HB GLN 81 1HB GLN 81 -3.496 -7.575 -4.608 630 1HG GLN 81 2HG GLN 81 -2.497 -8.406 -1.959 631 2HG GLN 81 1HG GLN 81 -4.160 -8.837 -2.349 632 1HE2 GLN 81 1HE2 GLN 81 -1.153 -9.996 -2.368 633 2HE2 GLN 81 2HE2 GLN 81 -1.244 -11.098 -3.697 634 H TRP 82 H TRP 82 -1.098 -6.726 -1.219 635 HA TRP 82 HA TRP 82 0.888 -8.652 -2.149 636 1HB TRP 82 2HB TRP 82 2.703 -7.531 -0.918 637 2HB TRP 82 1HB TRP 82 2.107 -6.552 -2.243 638 HD1 TRP 82 HD1 TRP 82 2.706 -6.482 1.442 639 HE1 TRP 82 HE1 TRP 82 1.957 -4.220 2.409 640 HE3 TRP 82 HE3 TRP 82 0.130 -4.680 -2.595 641 HZ2 TRP 82 HZ2 TRP 82 0.472 -1.974 1.581 642 HZ3 TRP 82 HZ3 TRP 82 -0.926 -2.464 -2.419 643 HH2 TRP 82 HH2 TRP 82 -0.758 -1.141 -0.374 644 H ARG 83 H ARG 83 1.655 -10.053 -0.601 645 HA ARG 83 HA ARG 83 0.196 -10.033 1.957 646 1HB ARG 83 2HB ARG 83 -0.313 -11.986 0.566 647 2HB ARG 83 1HB ARG 83 1.402 -12.355 0.429 648 1HG ARG 83 2HG ARG 83 1.557 -13.011 2.669 649 2HG ARG 83 1HG ARG 83 0.022 -12.248 3.088 650 1HD ARG 83 2HD ARG 83 -1.126 -13.887 1.611 651 2HD ARG 83 1HD ARG 83 0.423 -14.694 1.372 652 HE ARG 83 HE ARG 83 0.011 -14.522 4.110 653 1HH1 ARG 83 2HH1 ARG 83 -1.501 -16.045 1.359 654 2HH1 ARG 83 1HH1 ARG 83 -2.119 -17.376 2.278 655 1HH2 ARG 83 1HH2 ARG 83 -0.801 -16.272 5.321 656 2HH2 ARG 83 2HH2 ARG 83 -1.723 -17.505 4.526 657 H ASP 84 H ASP 84 1.452 -9.298 3.560 658 HA ASP 84 HA ASP 84 4.337 -9.588 3.318 659 1HB ASP 84 2HB ASP 84 3.651 -7.381 3.840 660 2HB ASP 84 1HB ASP 84 2.593 -7.925 5.122 661 H ALA 85 H ALA 85 2.888 -9.416 6.494 662 HA ALA 85 HA ALA 85 4.377 -11.719 7.324 663 1HB ALA 85 1HB ALA 85 2.738 -9.643 8.644 664 2HB ALA 85 2HB ALA 85 4.334 -10.268 9.061 665 3HB ALA 85 3HB ALA 85 2.889 -11.189 9.478 666 H ARG 86 H ARG 86 0.933 -11.011 7.836 667 HA ARG 86 HA ARG 86 0.289 -13.749 7.000 668 1HB ARG 86 2HB ARG 86 0.449 -13.927 9.382 669 2HB ARG 86 1HB ARG 86 -0.497 -12.464 9.615 670 1HG ARG 86 2HG ARG 86 -2.466 -13.529 9.337 671 2HG ARG 86 1HG ARG 86 -1.824 -14.635 8.121 672 1HD ARG 86 2HD ARG 86 -1.464 -14.796 11.109 673 2HD ARG 86 1HD ARG 86 -2.395 -15.891 10.088 674 HE ARG 86 HE ARG 86 0.088 -16.073 9.051 675 1HH1 ARG 86 2HH1 ARG 86 -1.141 -16.352 12.307 676 2HH1 ARG 86 1HH1 ARG 86 0.086 -17.466 12.808 677 1HH2 ARG 86 1HH2 ARG 86 1.702 -17.539 9.710 678 2HH2 ARG 86 2HH2 ARG 86 1.701 -18.138 11.335 679 H GLN 87 H GLN 87 -0.415 -10.458 6.885 680 HA GLN 87 HA GLN 87 -3.157 -10.987 5.979 681 1HB GLN 87 2HB GLN 87 -3.753 -8.784 6.554 682 2HB GLN 87 1HB GLN 87 -2.769 -9.349 7.894 683 1HG GLN 87 2HG GLN 87 -1.739 -7.642 5.638 684 2HG GLN 87 1HG GLN 87 -2.315 -7.013 7.181 685 1HE2 GLN 87 1HE2 GLN 87 0.369 -7.752 5.518 686 2HE2 GLN 87 2HE2 GLN 87 1.455 -8.090 6.817 687 H VAL 88 H VAL 88 -3.872 -9.289 4.303 688 HA VAL 88 HA VAL 88 -1.740 -8.903 2.310 689 HB VAL 88 HB VAL 88 -4.546 -9.627 1.510 690 1HG1 VAL 88 1HG1 VAL 88 -3.708 -9.876 -0.613 691 2HG1 VAL 88 2HG1 VAL 88 -2.076 -10.228 -0.044 692 3HG1 VAL 88 3HG1 VAL 88 -2.687 -8.574 -0.001 693 1HG2 VAL 88 1HG2 VAL 88 -2.481 -11.386 2.610 694 2HG2 VAL 88 2HG2 VAL 88 -3.114 -11.906 1.048 695 3HG2 VAL 88 3HG2 VAL 88 -4.212 -11.657 2.407 696 H TRP 89 H TRP 89 -1.659 -6.905 1.474 697 HA TRP 89 HA TRP 89 -3.835 -5.062 2.170 698 1HB TRP 89 2HB TRP 89 -0.921 -4.611 1.571 699 2HB TRP 89 1HB TRP 89 -2.079 -3.292 1.685 700 HD1 TRP 89 HD1 TRP 89 -0.493 -6.055 3.861 701 HE1 TRP 89 HE1 TRP 89 -0.610 -5.307 6.319 702 HE3 TRP 89 HE3 TRP 89 -3.229 -1.774 3.280 703 HZ2 TRP 89 HZ2 TRP 89 -1.718 -3.182 7.818 704 HZ3 TRP 89 HZ3 TRP 89 -3.771 -0.441 5.276 705 HH2 TRP 89 HH2 TRP 89 -3.034 -1.132 7.496 706 H GLY 90 H GLY 90 -5.256 -5.233 0.485 707 1HA GLY 90 2HA GLY 90 -4.260 -5.084 -2.252 708 2HA GLY 90 1HA GLY 90 -5.917 -5.381 -1.768 709 H LEU 91 H LEU 91 -4.046 -3.247 -3.313 710 HA LEU 91 HA LEU 91 -5.497 -0.892 -2.318 711 1HB LEU 91 2HB LEU 91 -2.864 -1.305 -3.621 712 2HB LEU 91 1HB LEU 91 -3.716 0.177 -4.003 713 HG LEU 91 HG LEU 91 -2.022 0.261 -2.109 714 1HD1 LEU 91 1HD1 LEU 91 -3.300 1.853 -0.880 715 2HD1 LEU 91 2HD1 LEU 91 -4.815 1.141 -1.431 716 3HD1 LEU 91 3HD1 LEU 91 -3.760 1.968 -2.576 717 1HD2 LEU 91 1HD2 LEU 91 -2.818 -0.451 0.085 718 2HD2 LEU 91 2HD2 LEU 91 -2.638 -1.818 -1.015 719 3HD2 LEU 91 3HD2 LEU 91 -4.241 -1.174 -0.666 720 H ASN 92 H ASN 92 -7.315 -0.487 -3.412 721 HA ASN 92 HA ASN 92 -7.460 -1.185 -6.250 722 1HB ASN 92 2HB ASN 92 -9.341 -1.604 -4.480 723 2HB ASN 92 1HB ASN 92 -9.715 0.096 -4.742 724 1HD2 ASN 92 1HD2 ASN 92 -8.921 0.039 -7.571 725 2HD2 ASN 92 2HD2 ASN 92 -10.183 -0.812 -8.388 726 H PHE 93 H PHE 93 -6.470 0.269 -7.451 727 HA PHE 93 HA PHE 93 -6.353 3.043 -6.843 728 1HB PHE 93 2HB PHE 93 -5.696 1.604 -9.413 729 2HB PHE 93 1HB PHE 93 -5.200 3.232 -8.976 730 HD1 PHE 93 HD1 PHE 93 -4.438 -0.247 -8.769 731 HD2 PHE 93 HD2 PHE 93 -3.687 3.525 -6.957 732 HE1 PHE 93 HE1 PHE 93 -2.441 -1.172 -7.677 733 HE2 PHE 93 HE2 PHE 93 -1.698 2.609 -5.858 734 HZ PHE 93 HZ PHE 93 -1.065 0.260 -6.223 735 H GLY 94 H GLY 94 -7.162 4.786 -8.078 736 1HA GLY 94 2HA GLY 94 -9.865 4.260 -9.068 737 2HA GLY 94 1HA GLY 94 -9.197 5.833 -8.658 738 H SER 95 H SER 95 -6.741 5.271 -10.229 739 HA SER 95 HA SER 95 -7.840 5.340 -12.952 740 1HB SER 95 2HB SER 95 -5.623 7.203 -12.137 741 2HB SER 95 1HB SER 95 -6.696 7.304 -13.532 742 HG SER 95 HG SER 95 -7.848 8.573 -12.330 743 H LYS 96 H LYS 96 -6.127 5.060 -14.627 744 HA LYS 96 HA LYS 96 -4.573 2.770 -14.057 745 1HB LYS 96 2HB LYS 96 -3.592 3.235 -16.359 746 2HB LYS 96 1HB LYS 96 -5.333 3.003 -16.280 747 1HG LYS 96 2HG LYS 96 -5.781 5.121 -16.900 748 2HG LYS 96 1HG LYS 96 -4.391 5.784 -16.038 749 1HD LYS 96 2HD LYS 96 -3.026 4.540 -17.891 750 2HD LYS 96 1HD LYS 96 -4.546 4.616 -18.783 751 1HE LYS 96 2HE LYS 96 -3.536 7.094 -17.484 752 2HE LYS 96 1HE LYS 96 -2.743 6.537 -18.958 753 1HZ LYS 96 1HZ LYS 96 -4.504 8.079 -19.481 754 2HZ LYS 96 2HZ LYS 96 -5.635 7.138 -18.648 755 3HZ LYS 96 3HZ LYS 96 -4.914 6.541 -20.056 756 H GLU 97 H GLU 97 -3.869 6.186 -14.045 757 HA GLU 97 HA GLU 97 -1.042 5.975 -14.114 758 1HB GLU 97 2HB GLU 97 -2.999 8.114 -13.405 759 2HB GLU 97 1HB GLU 97 -1.322 8.321 -12.919 760 1HG GLU 97 2HG GLU 97 -0.890 7.690 -15.448 761 2HG GLU 97 1HG GLU 97 -2.530 8.313 -15.625 762 H ASP 98 H ASP 98 -3.314 6.501 -11.415 763 HA ASP 98 HA ASP 98 -1.538 6.590 -9.317 764 1HB ASP 98 2HB ASP 98 -4.203 5.158 -9.259 765 2HB ASP 98 1HB ASP 98 -3.356 5.869 -7.889 766 H ALA 99 H ALA 99 -3.180 3.667 -10.513 767 HA ALA 99 HA ALA 99 -1.926 1.779 -8.944 768 1HB ALA 99 1HB ALA 99 -2.597 1.271 -11.824 769 2HB ALA 99 2HB ALA 99 -3.845 1.489 -10.597 770 3HB ALA 99 3HB ALA 99 -2.692 0.161 -10.457 771 H ALA 100 H ALA 100 -0.817 3.162 -12.014 772 HA ALA 100 HA ALA 100 1.476 1.486 -12.223 773 1HB ALA 100 1HB ALA 100 2.042 2.714 -14.119 774 2HB ALA 100 2HB ALA 100 1.254 4.176 -13.525 775 3HB ALA 100 3HB ALA 100 0.281 2.810 -14.073 776 H GLN 101 H GLN 101 0.837 4.569 -10.700 777 HA GLN 101 HA GLN 101 3.586 5.248 -10.302 778 1HB GLN 101 2HB GLN 101 1.592 6.846 -10.369 779 2HB GLN 101 1HB GLN 101 1.258 6.327 -8.723 780 1HG GLN 101 2HG GLN 101 2.497 8.399 -8.724 781 2HG GLN 101 1HG GLN 101 3.470 7.102 -8.030 782 1HE2 GLN 101 1HE2 GLN 101 5.095 6.130 -9.389 783 2HE2 GLN 101 2HE2 GLN 101 5.859 7.077 -10.617 784 H PHE 102 H PHE 102 1.025 3.949 -8.202 785 HA PHE 102 HA PHE 102 2.410 3.836 -5.822 786 1HB PHE 102 2HB PHE 102 -0.049 3.190 -6.401 787 2HB PHE 102 1HB PHE 102 0.593 1.574 -6.597 788 HD1 PHE 102 HD1 PHE 102 0.001 0.269 -4.756 789 HD2 PHE 102 HD2 PHE 102 1.289 4.295 -4.166 790 HE1 PHE 102 HE1 PHE 102 -0.128 -0.037 -2.320 791 HE2 PHE 102 HE2 PHE 102 1.158 3.983 -1.732 792 HZ PHE 102 HZ PHE 102 0.448 1.816 -0.807 793 H ALA 103 H ALA 103 2.253 1.283 -8.315 794 HA ALA 103 HA ALA 103 4.025 -0.492 -7.051 795 1HB ALA 103 1HB ALA 103 2.789 -0.223 -9.675 796 2HB ALA 103 2HB ALA 103 3.127 -1.670 -8.725 797 3HB ALA 103 3HB ALA 103 4.389 -0.961 -9.733 798 H ALA 104 H ALA 104 4.534 2.300 -9.096 799 HA ALA 104 HA ALA 104 7.089 2.036 -10.005 800 1HB ALA 104 1HB ALA 104 6.222 4.609 -8.730 801 2HB ALA 104 2HB ALA 104 5.458 4.015 -10.205 802 3HB ALA 104 3HB ALA 104 7.188 4.359 -10.186 803 H GLY 105 H GLY 105 6.359 3.716 -6.949 804 1HA GLY 105 2HA GLY 105 9.053 3.579 -6.028 805 2HA GLY 105 1HA GLY 105 7.655 4.004 -5.057 806 H MET 106 H MET 106 6.137 1.747 -5.234 807 HA MET 106 HA MET 106 7.048 0.152 -3.204 808 1HB MET 106 2HB MET 106 4.748 0.082 -3.968 809 2HB MET 106 1HB MET 106 5.250 -0.601 -5.510 810 1HG MET 106 2HG MET 106 4.497 -2.446 -4.372 811 2HG MET 106 1HG MET 106 6.229 -2.507 -4.082 812 1HE MET 106 1HE MET 106 4.262 -4.115 -1.540 813 2HE MET 106 2HE MET 106 5.882 -3.809 -0.912 814 3HE MET 106 3HE MET 106 5.654 -4.172 -2.623 815 H ALA 107 H ALA 107 7.089 -0.748 -6.641 816 HA ALA 107 HA ALA 107 8.550 -3.067 -6.504 817 1HB ALA 107 1HB ALA 107 7.525 -2.158 -8.567 818 2HB ALA 107 2HB ALA 107 9.187 -2.698 -8.807 819 3HB ALA 107 3HB ALA 107 8.831 -0.976 -8.664 820 H SER 108 H SER 108 9.671 0.257 -6.392 821 HA SER 108 HA SER 108 12.442 -0.274 -6.577 822 1HB SER 108 2HB SER 108 11.137 1.989 -6.735 823 2HB SER 108 1HB SER 108 11.357 2.030 -4.985 824 HG SER 108 HG SER 108 13.588 1.927 -5.309 825 H ALA 109 H ALA 109 10.144 -0.272 -3.924 826 HA ALA 109 HA ALA 109 12.075 -0.428 -1.826 827 1HB ALA 109 1HB ALA 109 9.158 -0.588 -2.061 828 2HB ALA 109 2HB ALA 109 10.156 0.160 -0.815 829 3HB ALA 109 3HB ALA 109 9.837 -1.575 -0.763 830 H LEU 110 H LEU 110 10.017 -2.829 -3.400 831 HA LEU 110 HA LEU 110 11.020 -5.071 -2.023 832 1HB LEU 110 2HB LEU 110 10.038 -5.413 -4.805 833 2HB LEU 110 1HB LEU 110 9.650 -6.327 -3.360 834 HG LEU 110 HG LEU 110 8.552 -3.616 -4.108 835 1HD1 LEU 110 1HD1 LEU 110 6.727 -5.840 -3.634 836 2HD1 LEU 110 2HD1 LEU 110 7.775 -6.049 -5.037 837 3HD1 LEU 110 3HD1 LEU 110 6.742 -4.626 -4.913 838 1HD2 LEU 110 1HD2 LEU 110 8.965 -4.540 -1.560 839 2HD2 LEU 110 2HD2 LEU 110 7.306 -5.040 -1.891 840 3HD2 LEU 110 3HD2 LEU 110 7.762 -3.343 -2.038 841 H GLU 111 H GLU 111 12.362 -3.179 -4.533 842 HA GLU 111 HA GLU 111 14.187 -5.306 -5.368 843 1HB GLU 111 2HB GLU 111 13.244 -2.759 -6.529 844 2HB GLU 111 1HB GLU 111 14.915 -3.195 -6.868 845 1HG GLU 111 2HG GLU 111 14.034 -5.447 -7.566 846 2HG GLU 111 1HG GLU 111 12.430 -4.724 -7.521 847 H ALA 112 H ALA 112 14.069 -2.526 -3.389 848 HA ALA 112 HA ALA 112 16.991 -2.308 -3.292 849 1HB ALA 112 1HB ALA 112 16.285 -0.144 -3.346 850 2HB ALA 112 2HB ALA 112 16.221 -0.396 -1.601 851 3HB ALA 112 3HB ALA 112 14.747 -0.511 -2.564 852 H LEU 113 H LEU 113 14.641 -4.091 -1.927 853 HA LEU 113 HA LEU 113 15.997 -4.213 0.678 854 1HB LEU 113 2HB LEU 113 13.251 -3.935 -0.046 855 2HB LEU 113 1HB LEU 113 13.454 -5.466 0.760 856 HG LEU 113 HG LEU 113 12.824 -3.422 2.178 857 1HD1 LEU 113 1HD1 LEU 113 15.142 -4.380 3.575 858 2HD1 LEU 113 2HD1 LEU 113 14.380 -5.709 2.707 859 3HD1 LEU 113 3HD1 LEU 113 13.441 -4.752 3.853 860 1HD2 LEU 113 1HD2 LEU 113 15.099 -2.361 0.984 861 2HD2 LEU 113 2HD2 LEU 113 15.597 -2.728 2.633 862 3HD2 LEU 113 3HD2 LEU 113 14.204 -1.685 2.345 863 H GLU 114 H GLU 114 14.729 -5.989 -2.059 864 HA GLU 114 HA GLU 114 15.603 -8.533 -0.924 865 1HB GLU 114 2HB GLU 114 14.152 -7.904 -3.501 866 2HB GLU 114 1HB GLU 114 14.559 -9.522 -2.948 867 1HG GLU 114 2HG GLU 114 13.231 -8.573 -0.795 868 2HG GLU 114 1HG GLU 114 12.411 -7.714 -2.097 869 H GLY 115 HN GLY 115 16.506 -6.165 -3.311 870 1HA GLY 115 2HA GLY 115 18.909 -7.772 -3.885 871 2HA GLY 115 1HA GLY 115 18.009 -7.024 -5.196 Start of MODEL 12 1 1H MET 1 1H MET 1 14.831 11.200 12.263 2 2H MET 1 2H MET 1 13.910 9.812 12.679 3 3H MET 1 3H MET 1 14.552 10.822 13.910 4 HA MET 1 HA MET 1 12.143 11.053 13.427 5 1HB MET 1 2HB MET 1 14.199 13.229 13.475 6 2HB MET 1 1HB MET 1 12.502 13.662 13.314 7 1HG MET 1 2HG MET 1 11.985 13.001 15.430 8 2HG MET 1 1HG MET 1 13.256 11.781 15.478 9 1HE MET 1 1HE MET 1 15.644 12.171 16.411 10 2HE MET 1 2HE MET 1 16.430 13.749 16.360 11 3HE MET 1 3HE MET 1 15.882 12.988 14.866 12 H SER 2 H SER 2 10.826 10.806 11.748 13 HA SER 2 HA SER 2 9.834 11.064 9.719 14 1HB SER 2 2HB SER 2 10.094 13.507 10.336 15 2HB SER 2 1HB SER 2 11.561 13.519 9.358 16 HG SER 2 HG SER 2 10.241 13.916 7.775 17 H GLU 3 H GLU 3 10.155 10.108 7.792 18 HA GLU 3 HA GLU 3 12.944 9.772 6.902 19 1HB GLU 3 2HB GLU 3 10.640 7.886 7.020 20 2HB GLU 3 1HB GLU 3 11.783 7.708 5.697 21 1HG GLU 3 2HG GLU 3 13.051 6.511 7.058 22 2HG GLU 3 1HG GLU 3 13.362 7.986 7.969 23 H THR 4 H THR 4 12.764 8.894 4.432 24 HA THR 4 HA THR 4 11.540 11.132 3.004 25 HB THR 4 HB THR 4 13.677 9.132 2.275 26 HG1 THR 4 HG1 THR 4 13.605 11.929 2.668 27 1HG2 THR 4 1HG2 THR 4 12.107 10.873 0.473 28 2HG2 THR 4 2HG2 THR 4 12.897 9.327 0.162 29 3HG2 THR 4 3HG2 THR 4 13.853 10.808 0.232 30 H VAL 5 H VAL 5 10.076 10.896 1.352 31 HA VAL 5 HA VAL 5 8.634 8.373 1.297 32 HB VAL 5 HB VAL 5 8.012 11.070 0.087 33 1HG1 VAL 5 1HG1 VAL 5 6.555 8.454 -0.148 34 2HG1 VAL 5 2HG1 VAL 5 7.039 9.564 -1.430 35 3HG1 VAL 5 3HG1 VAL 5 5.735 10.002 -0.329 36 1HG2 VAL 5 1HG2 VAL 5 6.061 9.983 1.909 37 2HG2 VAL 5 2HG2 VAL 5 6.936 11.515 1.982 38 3HG2 VAL 5 3HG2 VAL 5 7.653 10.056 2.666 39 H ILE 6 H ILE 6 7.993 7.387 -0.771 40 HA ILE 6 HA ILE 6 10.121 7.688 -2.783 41 HB ILE 6 HB ILE 6 8.414 5.248 -2.632 42 1HG1 ILE 6 2HG1 ILE 6 10.399 6.126 -0.616 43 2HG1 ILE 6 1HG1 ILE 6 9.018 5.061 -0.444 44 1HG2 ILE 6 1HG2 ILE 6 10.106 5.806 -4.449 45 2HG2 ILE 6 2HG2 ILE 6 10.200 4.208 -3.710 46 3HG2 ILE 6 3HG2 ILE 6 11.340 5.468 -3.233 47 1HD1 ILE 6 1HD1 ILE 6 10.254 3.228 -1.401 48 2HD1 ILE 6 2HD1 ILE 6 11.151 3.924 -0.052 49 3HD1 ILE 6 3HD1 ILE 6 11.633 4.285 -1.707 50 H CYS 7 H CYS 7 6.752 6.532 -2.604 51 HA CYS 7 HA CYS 7 6.238 7.950 -5.130 52 1HB CYS 7 2HB CYS 7 4.728 6.022 -5.709 53 2HB CYS 7 1HB CYS 7 6.443 5.648 -5.711 54 HG CYS 7 HG CYS 7 4.573 4.017 -4.320 55 H SER 8 H SER 8 3.736 7.872 -5.557 56 HA SER 8 HA SER 8 2.082 8.082 -3.204 57 1HB SER 8 2HB SER 8 1.966 10.330 -2.965 58 2HB SER 8 1HB SER 8 3.468 10.365 -3.885 59 HG SER 8 HG SER 8 2.407 11.410 -5.347 60 H SER 9 H SER 9 0.365 6.945 -3.907 61 HA SER 9 HA SER 9 -0.760 7.679 -6.530 62 1HB SER 9 2HB SER 9 -0.200 4.964 -5.398 63 2HB SER 9 1HB SER 9 -1.531 5.182 -6.535 64 HG SER 9 HG SER 9 -0.121 5.780 -8.087 65 H ARG 10 H ARG 10 -3.036 7.070 -6.807 66 HA ARG 10 HA ARG 10 -4.535 7.478 -4.304 67 1HB ARG 10 2HB ARG 10 -4.878 9.230 -5.971 68 2HB ARG 10 1HB ARG 10 -5.318 8.029 -7.177 69 1HG ARG 10 2HG ARG 10 -7.292 7.431 -5.867 70 2HG ARG 10 1HG ARG 10 -6.850 8.637 -4.657 71 1HD ARG 10 2HD ARG 10 -7.272 10.419 -6.113 72 2HD ARG 10 1HD ARG 10 -7.224 9.383 -7.538 73 HE ARG 10 HE ARG 10 -9.426 8.831 -7.185 74 1HH1 ARG 10 2HH1 ARG 10 -8.191 10.495 -4.376 75 2HH1 ARG 10 1HH1 ARG 10 -9.748 10.675 -3.644 76 1HH2 ARG 10 1HH2 ARG 10 -11.475 9.069 -6.223 77 2HH2 ARG 10 2HH2 ARG 10 -11.613 9.865 -4.691 78 H ALA 11 H ALA 11 -5.802 5.878 -3.570 79 HA ALA 11 HA ALA 11 -7.171 4.043 -5.255 80 1HB ALA 11 1HB ALA 11 -4.968 3.078 -5.552 81 2HB ALA 11 2HB ALA 11 -5.964 1.991 -4.584 82 3HB ALA 11 3HB ALA 11 -4.739 2.992 -3.806 83 H THR 12 H THR 12 -7.812 2.017 -3.743 84 HA THR 12 HA THR 12 -8.703 3.199 -1.196 85 HB THR 12 HB THR 12 -10.096 0.996 -2.719 86 HG1 THR 12 HG1 THR 12 -11.029 2.447 -3.898 87 1HG2 THR 12 1HG2 THR 12 -10.495 1.707 -0.160 88 2HG2 THR 12 2HG2 THR 12 -11.759 1.084 -1.220 89 3HG2 THR 12 3HG2 THR 12 -11.593 2.822 -0.973 90 H VAL 13 H VAL 13 -6.934 2.453 -0.004 91 HA VAL 13 HA VAL 13 -5.727 0.011 -0.024 92 HB VAL 13 HB VAL 13 -6.387 1.630 2.438 93 1HG1 VAL 13 1HG1 VAL 13 -4.799 0.424 3.635 94 2HG1 VAL 13 2HG1 VAL 13 -4.056 -0.234 2.179 95 3HG1 VAL 13 3HG1 VAL 13 -5.628 -0.829 2.713 96 1HG2 VAL 13 1HG2 VAL 13 -4.041 1.671 0.548 97 2HG2 VAL 13 2HG2 VAL 13 -4.038 2.455 2.126 98 3HG2 VAL 13 3HG2 VAL 13 -5.176 2.979 0.883 99 H MET 14 H MET 14 -6.106 -1.989 0.665 100 HA MET 14 HA MET 14 -8.594 -2.546 2.105 101 1HB MET 14 2HB MET 14 -8.664 -2.868 -0.501 102 2HB MET 14 1HB MET 14 -7.758 -4.325 -0.160 103 1HG MET 14 2HG MET 14 -9.577 -5.396 0.509 104 2HG MET 14 1HG MET 14 -10.034 -4.084 1.591 105 1HE MET 14 1HE MET 14 -13.274 -4.347 0.323 106 2HE MET 14 2HE MET 14 -12.772 -2.692 0.667 107 3HE MET 14 3HE MET 14 -12.119 -4.026 1.617 108 H LEU 15 H LEU 15 -8.644 -4.733 3.047 109 HA LEU 15 HA LEU 15 -5.980 -5.888 3.484 110 1HB LEU 15 2HB LEU 15 -7.735 -4.625 5.453 111 2HB LEU 15 1HB LEU 15 -7.253 -6.246 5.908 112 HG LEU 15 HG LEU 15 -5.476 -3.869 5.409 113 1HD1 LEU 15 1HD1 LEU 15 -5.944 -3.691 7.606 114 2HD1 LEU 15 2HD1 LEU 15 -4.710 -4.943 7.750 115 3HD1 LEU 15 3HD1 LEU 15 -6.418 -5.383 7.753 116 1HD2 LEU 15 1HD2 LEU 15 -3.652 -5.578 6.048 117 2HD2 LEU 15 2HD2 LEU 15 -4.234 -5.528 4.384 118 3HD2 LEU 15 3HD2 LEU 15 -4.811 -6.781 5.481 119 H TYR 16 H TYR 16 -6.124 -7.891 2.675 120 HA TYR 16 HA TYR 16 -8.605 -9.286 2.487 121 1HB TYR 16 2HB TYR 16 -6.527 -9.481 0.953 122 2HB TYR 16 1HB TYR 16 -5.933 -10.614 2.162 123 HD1 TYR 16 HD1 TYR 16 -8.471 -10.022 -0.415 124 HD2 TYR 16 HD2 TYR 16 -6.970 -12.777 2.457 125 HE1 TYR 16 HE1 TYR 16 -9.809 -11.807 -1.446 126 HE2 TYR 16 HE2 TYR 16 -8.298 -14.576 1.440 127 HH TYR 16 HH TYR 16 -9.294 -14.922 -1.093 128 H ASP 17 H ASP 17 -9.278 -11.140 3.523 129 HA ASP 17 HA ASP 17 -7.897 -11.757 6.051 130 1HB ASP 17 2HB ASP 17 -10.484 -10.745 5.720 131 2HB ASP 17 1HB ASP 17 -10.716 -12.458 6.056 132 H ASP 18 H ASP 18 -6.727 -13.457 5.116 133 HA ASP 18 HA ASP 18 -7.682 -15.480 3.489 134 1HB ASP 18 2HB ASP 18 -5.800 -16.839 4.348 135 2HB ASP 18 1HB ASP 18 -5.310 -15.197 3.940 136 H GLY 19 H GLY 19 -8.266 -14.939 6.845 137 1HA GLY 19 2HA GLY 19 -8.835 -17.510 7.759 138 2HA GLY 19 1HA GLY 19 -9.578 -16.040 8.372 139 H ASN 20 H ASN 20 -10.835 -15.286 5.898 140 HA ASN 20 HA ASN 20 -12.742 -17.482 5.482 141 1HB ASN 20 2HB ASN 20 -13.360 -14.647 6.287 142 2HB ASN 20 1HB ASN 20 -14.546 -15.643 5.450 143 1HD2 ASN 20 1HD2 ASN 20 -12.469 -15.532 8.296 144 2HD2 ASN 20 2HD2 ASN 20 -13.502 -16.475 9.309 145 H LYS 21 H LYS 21 -10.509 -15.878 3.979 146 HA LYS 21 HA LYS 21 -10.099 -15.126 1.870 147 1HB LYS 21 2HB LYS 21 -11.789 -17.445 1.705 148 2HB LYS 21 1HB LYS 21 -12.147 -16.361 0.367 149 1HG LYS 21 2HG LYS 21 -10.397 -17.203 -0.693 150 2HG LYS 21 1HG LYS 21 -9.361 -16.445 0.519 151 1HD LYS 21 2HD LYS 21 -10.626 -19.133 0.971 152 2HD LYS 21 1HD LYS 21 -9.087 -18.961 0.124 153 1HE LYS 21 2HE LYS 21 -8.040 -18.866 2.079 154 2HE LYS 21 1HE LYS 21 -8.928 -17.395 2.471 155 1HZ LYS 21 1HZ LYS 21 -9.167 -19.218 4.121 156 2HZ LYS 21 2HZ LYS 21 -9.982 -20.127 2.950 157 3HZ LYS 21 3HZ LYS 21 -10.639 -18.666 3.493 158 H ARG 22 H ARG 22 -10.673 -12.947 2.243 159 HA ARG 22 HA ARG 22 -12.514 -11.841 0.472 160 1HB ARG 22 2HB ARG 22 -14.161 -10.939 2.204 161 2HB ARG 22 1HB ARG 22 -14.333 -12.628 1.748 162 1HG ARG 22 2HG ARG 22 -14.104 -13.264 3.855 163 2HG ARG 22 1HG ARG 22 -12.548 -12.436 3.972 164 1HD ARG 22 2HD ARG 22 -13.644 -10.370 4.565 165 2HD ARG 22 1HD ARG 22 -15.230 -11.096 4.309 166 HE ARG 22 HE ARG 22 -13.689 -12.500 6.264 167 1HH1 ARG 22 2HH1 ARG 22 -15.747 -9.726 5.764 168 2HH1 ARG 22 1HH1 ARG 22 -16.250 -9.644 7.419 169 1HH2 ARG 22 1HH2 ARG 22 -14.350 -12.394 8.441 170 2HH2 ARG 22 2HH2 ARG 22 -15.457 -11.159 8.938 171 H TRP 23 H TRP 23 -12.371 -9.601 0.383 172 HA TRP 23 HA TRP 23 -10.095 -8.431 1.621 173 1HB TRP 23 2HB TRP 23 -12.299 -7.422 -0.144 174 2HB TRP 23 1HB TRP 23 -11.227 -6.274 0.644 175 HD1 TRP 23 HD1 TRP 23 -11.577 -7.815 -2.531 176 HE1 TRP 23 HE1 TRP 23 -9.358 -8.034 -3.807 177 HE3 TRP 23 HE3 TRP 23 -8.343 -7.020 1.335 178 HZ2 TRP 23 HZ2 TRP 23 -6.599 -7.882 -3.249 179 HZ3 TRP 23 HZ3 TRP 23 -5.928 -7.068 0.881 180 HH2 TRP 23 HH2 TRP 23 -5.075 -7.488 -1.364 181 H LEU 24 H LEU 24 -10.270 -6.294 2.823 182 HA LEU 24 HA LEU 24 -12.643 -5.826 4.359 183 1HB LEU 24 2HB LEU 24 -10.533 -7.526 5.428 184 2HB LEU 24 1HB LEU 24 -10.857 -6.144 6.454 185 HG LEU 24 HG LEU 24 -12.872 -8.206 5.560 186 1HD1 LEU 24 1HD1 LEU 24 -12.915 -8.424 8.178 187 2HD1 LEU 24 2HD1 LEU 24 -11.274 -7.794 8.036 188 3HD1 LEU 24 3HD1 LEU 24 -11.720 -9.290 7.213 189 1HD2 LEU 24 1HD2 LEU 24 -14.314 -7.011 7.267 190 2HD2 LEU 24 2HD2 LEU 24 -14.050 -6.173 5.739 191 3HD2 LEU 24 3HD2 LEU 24 -13.152 -5.688 7.177 192 HA PRO 25 HA PRO 25 -11.050 -1.696 4.044 193 1HB PRO 25 2HB PRO 25 -12.352 -1.473 6.727 194 2HB PRO 25 1HB PRO 25 -12.458 -0.391 5.333 195 1HG PRO 25 2HG PRO 25 -14.439 -2.077 5.893 196 2HG PRO 25 1HG PRO 25 -13.960 -1.759 4.216 197 1HD PRO 25 2HD PRO 25 -13.479 -4.159 5.902 198 2HD PRO 25 1HD PRO 25 -13.682 -4.035 4.145 199 H ALA 26 H ALA 26 -8.830 -2.193 4.291 200 HA ALA 26 HA ALA 26 -7.391 -2.963 6.448 201 1HB ALA 26 1HB ALA 26 -5.517 -1.664 5.553 202 2HB ALA 26 2HB ALA 26 -6.636 -0.777 4.518 203 3HB ALA 26 3HB ALA 26 -6.397 -2.509 4.280 204 H GLY 27 H GLY 27 -7.766 0.482 5.684 205 1HA GLY 27 2HA GLY 27 -6.765 1.626 7.933 206 2HA GLY 27 1HA GLY 27 -8.119 2.309 7.049 207 H THR 28 H THR 28 -10.190 2.131 7.876 208 HA THR 28 HA THR 28 -10.443 0.778 10.474 209 HB THR 28 HB THR 28 -11.799 2.671 11.299 210 HG1 THR 28 HG1 THR 28 -10.913 4.031 8.978 211 1HG2 THR 28 1HG2 THR 28 -9.547 2.785 11.988 212 2HG2 THR 28 2HG2 THR 28 -9.981 4.398 11.424 213 3HG2 THR 28 3HG2 THR 28 -9.014 3.336 10.401 214 H GLY 29 H GLY 29 -12.829 2.779 8.812 215 1HA GLY 29 2HA GLY 29 -14.360 0.337 8.189 216 2HA GLY 29 1HA GLY 29 -15.119 1.674 9.037 217 HA PRO 30 HA PRO 30 -16.614 3.518 5.330 218 1HB PRO 30 2HB PRO 30 -15.165 5.972 6.237 219 2HB PRO 30 1HB PRO 30 -16.831 5.794 5.675 220 1HG PRO 30 2HG PRO 30 -16.295 6.044 8.270 221 2HG PRO 30 1HG PRO 30 -17.567 4.947 7.704 222 1HD PRO 30 2HD PRO 30 -14.858 4.322 8.756 223 2HD PRO 30 1HD PRO 30 -16.357 3.378 8.859 224 H GLN 31 H GLN 31 -15.892 4.438 3.291 225 HA GLN 31 HA GLN 31 -12.987 4.439 2.906 226 1HB GLN 31 2HB GLN 31 -14.962 2.629 1.635 227 2HB GLN 31 1HB GLN 31 -13.698 3.274 0.602 228 1HG GLN 31 2HG GLN 31 -12.194 1.877 1.428 229 2HG GLN 31 1HG GLN 31 -12.602 2.316 3.086 230 1HE2 GLN 31 1HE2 GLN 31 -12.166 -0.259 1.370 231 2HE2 GLN 31 2HE2 GLN 31 -13.420 -1.300 1.942 232 H ALA 32 H ALA 32 -12.393 5.236 0.707 233 HA ALA 32 HA ALA 32 -13.910 6.640 -1.061 234 1HB ALA 32 1HB ALA 32 -13.221 9.033 0.046 235 2HB ALA 32 2HB ALA 32 -13.645 8.096 1.479 236 3HB ALA 32 3HB ALA 32 -14.817 8.294 0.176 237 H PHE 33 H PHE 33 -11.613 5.188 -1.094 238 HA PHE 33 HA PHE 33 -9.526 5.132 -1.993 239 1HB PHE 33 2HB PHE 33 -10.414 7.861 -2.883 240 2HB PHE 33 1HB PHE 33 -8.788 7.292 -3.217 241 HD1 PHE 33 HD1 PHE 33 -8.365 5.620 -4.845 242 HD2 PHE 33 HD2 PHE 33 -12.355 6.747 -3.899 243 HE1 PHE 33 HE1 PHE 33 -9.167 4.427 -6.834 244 HE2 PHE 33 HE2 PHE 33 -13.169 5.555 -5.891 245 HZ PHE 33 HZ PHE 33 -11.573 4.391 -7.363 246 H SER 34 H SER 34 -7.386 6.670 -2.045 247 HA SER 34 HA SER 34 -6.998 8.386 0.160 248 1HB SER 34 2HB SER 34 -5.322 6.315 1.047 249 2HB SER 34 1HB SER 34 -6.767 6.927 1.849 250 HG SER 34 HG SER 34 -6.395 4.611 0.380 251 H ARG 35 H ARG 35 -4.666 8.828 0.537 252 HA ARG 35 HA ARG 35 -3.161 8.468 -1.966 253 1HB ARG 35 2HB ARG 35 -3.718 10.806 -1.354 254 2HB ARG 35 1HB ARG 35 -2.839 10.603 0.154 255 1HG ARG 35 2HG ARG 35 -1.177 9.866 -2.071 256 2HG ARG 35 1HG ARG 35 -1.840 11.486 -2.301 257 1HD ARG 35 2HD ARG 35 -0.859 10.935 0.408 258 2HD ARG 35 1HD ARG 35 0.383 10.903 -0.841 259 HE ARG 35 HE ARG 35 -0.928 13.193 -1.376 260 1HH1 ARG 35 2HH1 ARG 35 0.430 11.894 1.564 261 2HH1 ARG 35 1HH1 ARG 35 0.785 13.450 2.235 262 1HH2 ARG 35 1HH2 ARG 35 -0.463 15.240 -0.496 263 2HH2 ARG 35 2HH2 ARG 35 0.277 15.349 1.067 264 H VAL 36 H VAL 36 -2.112 6.554 -1.533 265 HA VAL 36 HA VAL 36 -0.623 6.311 0.956 266 HB VAL 36 HB VAL 36 -0.893 4.278 -1.255 267 1HG1 VAL 36 1HG1 VAL 36 -0.004 3.997 1.615 268 2HG1 VAL 36 2HG1 VAL 36 1.048 3.946 0.200 269 3HG1 VAL 36 3HG1 VAL 36 -0.161 2.686 0.446 270 1HG2 VAL 36 1HG2 VAL 36 -2.331 3.922 1.294 271 2HG2 VAL 36 2HG2 VAL 36 -2.814 3.504 -0.350 272 3HG2 VAL 36 3HG2 VAL 36 -2.962 5.168 0.218 273 H GLN 37 H GLN 37 1.429 6.707 1.150 274 HA GLN 37 HA GLN 37 3.117 6.828 -1.259 275 1HB GLN 37 2HB GLN 37 3.121 8.538 1.221 276 2HB GLN 37 1HB GLN 37 4.487 8.484 0.114 277 1HG GLN 37 2HG GLN 37 2.827 9.117 -1.701 278 2HG GLN 37 1HG GLN 37 1.709 9.492 -0.392 279 1HE2 GLN 37 1HE2 GLN 37 4.373 10.542 -2.229 280 2HE2 GLN 37 2HE2 GLN 37 4.645 12.041 -1.418 281 H ILE 38 H ILE 38 5.361 6.191 -0.954 282 HA ILE 38 HA ILE 38 5.606 4.204 1.199 283 HB ILE 38 HB ILE 38 7.036 4.423 -1.462 284 1HG1 ILE 38 2HG1 ILE 38 5.111 2.365 -0.362 285 2HG1 ILE 38 1HG1 ILE 38 4.724 3.592 -1.562 286 1HG2 ILE 38 1HG2 ILE 38 7.342 2.197 0.553 287 2HG2 ILE 38 2HG2 ILE 38 8.466 3.550 0.455 288 3HG2 ILE 38 3HG2 ILE 38 8.272 2.465 -0.920 289 1HD1 ILE 38 1HD1 ILE 38 5.197 2.011 -3.052 290 2HD1 ILE 38 2HD1 ILE 38 6.051 1.021 -1.866 291 3HD1 ILE 38 3HD1 ILE 38 6.885 2.353 -2.671 292 H TYR 39 H TYR 39 7.528 4.099 2.435 293 HA TYR 39 HA TYR 39 9.092 6.592 2.372 294 1HB TYR 39 2HB TYR 39 8.054 4.954 4.649 295 2HB TYR 39 1HB TYR 39 9.522 5.901 4.865 296 HD1 TYR 39 HD1 TYR 39 6.030 6.282 3.595 297 HD2 TYR 39 HD2 TYR 39 9.325 8.089 5.585 298 HE1 TYR 39 HE1 TYR 39 4.673 8.289 4.000 299 HE2 TYR 39 HE2 TYR 39 7.978 10.101 6.003 300 HH TYR 39 HH TYR 39 5.138 10.772 4.428 301 H HIS 40 H HIS 40 11.170 6.448 1.981 302 HA HIS 40 HA HIS 40 12.426 3.819 1.894 303 1HB HIS 40 2HB HIS 40 12.843 4.967 -0.104 304 2HB HIS 40 1HB HIS 40 13.074 6.504 0.708 305 HD1 HIS 40 HD1 HIS 40 15.386 7.052 -0.126 306 HD2 HIS 40 HD2 HIS 40 15.144 3.259 1.554 307 HE1 HIS 40 HE1 HIS 40 17.757 6.230 0.022 308 HE2 HIS 40 HE2 HIS 40 17.577 3.894 0.950 309 H ASN 41 H ASN 41 12.992 3.283 3.942 310 HA ASN 41 HA ASN 41 14.519 5.220 5.532 311 1HB ASN 41 2HB ASN 41 13.376 2.564 6.414 312 2HB ASN 41 1HB ASN 41 14.033 3.829 7.446 313 1HD2 ASN 41 1HD2 ASN 41 11.679 3.078 8.186 314 2HD2 ASN 41 2HD2 ASN 41 10.433 4.170 7.700 315 HA PRO 42 HA PRO 42 17.873 2.463 4.048 316 1HB PRO 42 2HB PRO 42 19.781 4.335 3.932 317 2HB PRO 42 1HB PRO 42 18.579 4.157 2.651 318 1HG PRO 42 2HG PRO 42 18.646 6.113 4.922 319 2HG PRO 42 1HG PRO 42 18.268 6.401 3.213 320 1HD PRO 42 2HD PRO 42 16.351 6.115 5.120 321 2HD PRO 42 1HD PRO 42 16.114 5.627 3.429 322 H THR 43 H THR 43 17.580 4.613 6.771 323 HA THR 43 HA THR 43 19.916 4.234 8.164 324 HB THR 43 HB THR 43 18.183 5.705 8.993 325 HG1 THR 43 HG1 THR 43 18.511 3.596 10.855 326 1HG2 THR 43 1HG2 THR 43 16.088 4.937 8.684 327 2HG2 THR 43 2HG2 THR 43 16.309 4.375 10.341 328 3HG2 THR 43 3HG2 THR 43 16.534 3.260 8.994 329 H ALA 44 H ALA 44 17.307 1.990 7.636 330 HA ALA 44 HA ALA 44 18.879 -0.098 8.980 331 1HB ALA 44 1HB ALA 44 16.707 -1.142 9.673 332 2HB ALA 44 2HB ALA 44 15.910 0.355 9.189 333 3HB ALA 44 3HB ALA 44 17.100 0.369 10.491 334 H ASN 45 H ASN 45 17.929 0.947 6.103 335 HA ASN 45 HA ASN 45 17.651 0.011 4.051 336 1HB ASN 45 2HB ASN 45 19.442 -1.615 5.328 337 2HB ASN 45 1HB ASN 45 18.179 -2.764 4.898 338 1HD2 ASN 45 1HD2 ASN 45 17.319 -1.579 2.512 339 2HD2 ASN 45 2HD2 ASN 45 18.577 -1.742 1.341 340 H SER 46 H SER 46 15.380 0.421 5.415 341 HA SER 46 HA SER 46 13.753 -1.932 4.692 342 1HB SER 46 2HB SER 46 13.922 -1.825 7.130 343 2HB SER 46 1HB SER 46 13.352 -0.156 7.110 344 HG SER 46 HG SER 46 11.728 -1.815 7.553 345 H PHE 47 H PHE 47 11.299 -1.182 4.819 346 HA PHE 47 HA PHE 47 10.897 1.482 3.726 347 1HB PHE 47 2HB PHE 47 10.380 -1.052 2.168 348 2HB PHE 47 1HB PHE 47 9.609 0.479 1.773 349 HD1 PHE 47 HD1 PHE 47 10.979 2.388 1.024 350 HD2 PHE 47 HD2 PHE 47 12.628 -1.487 1.587 351 HE1 PHE 47 HE1 PHE 47 12.934 3.032 -0.327 352 HE2 PHE 47 HE2 PHE 47 14.588 -0.857 0.238 353 HZ PHE 47 HZ PHE 47 14.743 1.406 -0.721 354 H ARG 48 H ARG 48 8.505 1.890 3.350 355 HA ARG 48 HA ARG 48 6.659 0.115 4.645 356 1HB ARG 48 2HB ARG 48 6.270 1.180 6.628 357 2HB ARG 48 1HB ARG 48 7.973 1.556 6.441 358 1HG ARG 48 2HG ARG 48 6.873 3.667 5.178 359 2HG ARG 48 1HG ARG 48 5.619 3.315 6.367 360 1HD ARG 48 2HD ARG 48 8.187 3.164 7.620 361 2HD ARG 48 1HD ARG 48 8.049 4.694 6.754 362 HE ARG 48 HE ARG 48 5.713 4.560 8.086 363 1HH1 ARG 48 2HH1 ARG 48 9.027 4.168 9.107 364 2HH1 ARG 48 1HH1 ARG 48 8.733 4.751 10.711 365 1HH2 ARG 48 1HH2 ARG 48 5.326 5.327 10.194 366 2HH2 ARG 48 2HH2 ARG 48 6.632 5.409 11.329 367 H VAL 49 H VAL 49 4.467 0.737 4.427 368 HA VAL 49 HA VAL 49 4.049 2.776 2.348 369 HB VAL 49 HB VAL 49 1.844 1.581 1.996 370 1HG1 VAL 49 1HG1 VAL 49 3.755 -0.518 1.375 371 2HG1 VAL 49 2HG1 VAL 49 4.358 1.089 0.970 372 3HG1 VAL 49 3HG1 VAL 49 2.829 0.526 0.296 373 1HG2 VAL 49 1HG2 VAL 49 1.889 0.425 4.212 374 2HG2 VAL 49 2HG2 VAL 49 3.159 -0.621 3.579 375 3HG2 VAL 49 3HG2 VAL 49 1.557 -0.637 2.844 376 H VAL 50 H VAL 50 2.895 4.547 2.826 377 HA VAL 50 HA VAL 50 1.159 4.492 5.198 378 HB VAL 50 HB VAL 50 2.727 6.963 4.566 379 1HG1 VAL 50 1HG1 VAL 50 1.461 5.820 7.049 380 2HG1 VAL 50 2HG1 VAL 50 0.931 7.223 6.122 381 3HG1 VAL 50 3HG1 VAL 50 2.444 7.284 7.026 382 1HG2 VAL 50 1HG2 VAL 50 4.532 5.497 4.781 383 2HG2 VAL 50 2HG2 VAL 50 3.720 4.530 6.013 384 3HG2 VAL 50 3HG2 VAL 50 4.321 6.140 6.410 385 H GLY 51 H GLY 51 -0.854 4.989 4.627 386 1HA GLY 51 2HA GLY 51 -1.247 7.098 2.616 387 2HA GLY 51 1HA GLY 51 -2.053 5.552 2.407 388 H ARG 52 H ARG 52 -3.107 8.281 2.766 389 HA ARG 52 HA ARG 52 -4.857 7.717 5.064 390 1HB ARG 52 2HB ARG 52 -5.016 10.267 5.287 391 2HB ARG 52 1HB ARG 52 -3.545 9.495 5.864 392 1HG ARG 52 2HG ARG 52 -2.368 10.149 3.861 393 2HG ARG 52 1HG ARG 52 -3.849 10.826 3.180 394 1HD ARG 52 2HD ARG 52 -2.852 12.719 4.010 395 2HD ARG 52 1HD ARG 52 -3.849 12.243 5.384 396 HE ARG 52 HE ARG 52 -1.514 11.011 5.902 397 1HH1 ARG 52 2HH1 ARG 52 -2.294 14.306 5.053 398 2HH1 ARG 52 1HH1 ARG 52 -0.956 14.978 5.923 399 1HH2 ARG 52 1HH2 ARG 52 0.245 11.895 7.047 400 2HH2 ARG 52 2HH2 ARG 52 0.484 13.610 7.055 401 H LYS 53 H LYS 53 -7.005 8.664 4.892 402 HA LYS 53 HA LYS 53 -8.070 8.354 2.259 403 1HB LYS 53 2HB LYS 53 -9.080 8.310 4.896 404 2HB LYS 53 1HB LYS 53 -9.946 9.585 4.050 405 1HG LYS 53 2HG LYS 53 -11.223 7.639 3.757 406 2HG LYS 53 1HG LYS 53 -10.386 7.895 2.223 407 1HD LYS 53 2HD LYS 53 -8.597 6.319 3.167 408 2HD LYS 53 1HD LYS 53 -9.811 5.877 4.368 409 1HE LYS 53 2HE LYS 53 -11.013 4.683 2.890 410 2HE LYS 53 1HE LYS 53 -10.780 5.864 1.603 411 1HZ LYS 53 1HZ LYS 53 -8.633 4.018 2.467 412 2HZ LYS 53 2HZ LYS 53 -8.712 4.934 1.047 413 3HZ LYS 53 3HZ LYS 53 -9.745 3.612 1.256 414 H MET 54 H MET 54 -9.492 9.958 1.228 415 HA MET 54 HA MET 54 -8.257 12.608 1.360 416 1HB MET 54 2HB MET 54 -10.175 11.635 -0.752 417 2HB MET 54 1HB MET 54 -9.037 12.972 -0.854 418 1HG MET 54 2HG MET 54 -7.736 10.432 -0.306 419 2HG MET 54 1HG MET 54 -8.653 10.425 -1.812 420 1HE MET 54 1HE MET 54 -5.448 10.003 -1.933 421 2HE MET 54 2HE MET 54 -5.210 10.999 -3.370 422 3HE MET 54 3HE MET 54 -6.645 9.982 -3.230 423 H GLN 55 H GLN 55 -9.927 12.020 3.446 424 HA GLN 55 HA GLN 55 -12.487 13.316 2.869 425 1HB GLN 55 2HB GLN 55 -11.481 11.975 5.386 426 2HB GLN 55 1HB GLN 55 -13.095 12.637 5.166 427 1HG GLN 55 2HG GLN 55 -13.328 11.041 3.226 428 2HG GLN 55 1HG GLN 55 -11.859 10.268 3.812 429 1HE2 GLN 55 1HE2 GLN 55 -12.101 8.679 5.209 430 2HE2 GLN 55 2HE2 GLN 55 -13.498 8.381 6.178 431 HA PRO 56 HA PRO 56 -11.589 17.238 4.658 432 1HB PRO 56 2HB PRO 56 -13.787 16.861 6.616 433 2HB PRO 56 1HB PRO 56 -13.554 18.139 5.419 434 1HG PRO 56 2HG PRO 56 -15.401 16.244 5.064 435 2HG PRO 56 1HG PRO 56 -14.461 16.880 3.700 436 1HD PRO 56 2HD PRO 56 -14.152 14.299 5.178 437 2HD PRO 56 1HD PRO 56 -13.980 14.632 3.443 438 H ASP 57 H ASP 57 -11.817 14.413 6.642 439 HA ASP 57 HA ASP 57 -10.406 15.743 8.848 440 1HB ASP 57 2HB ASP 57 -11.823 13.076 8.690 441 2HB ASP 57 1HB ASP 57 -10.898 13.610 10.091 442 H GLN 58 H GLN 58 -10.151 13.132 6.504 443 HA GLN 58 HA GLN 58 -8.383 11.926 5.742 444 1HB GLN 58 2HB GLN 58 -7.041 14.338 6.892 445 2HB GLN 58 1HB GLN 58 -6.053 12.981 6.374 446 1HG GLN 58 2HG GLN 58 -7.679 13.293 4.227 447 2HG GLN 58 1HG GLN 58 -7.526 14.955 4.793 448 1HE2 GLN 58 1HE2 GLN 58 -6.507 13.726 2.362 449 2HE2 GLN 58 2HE2 GLN 58 -4.795 13.957 2.384 450 H GLN 59 H GLN 59 -7.730 10.021 6.470 451 HA GLN 59 HA GLN 59 -6.503 9.797 9.106 452 1HB GLN 59 2HB GLN 59 -7.963 8.000 9.818 453 2HB GLN 59 1HB GLN 59 -8.926 9.425 9.455 454 1HG GLN 59 2HG GLN 59 -9.235 8.351 7.134 455 2HG GLN 59 1HG GLN 59 -8.695 6.870 7.923 456 1HE2 GLN 59 1HE2 GLN 59 -9.906 6.166 9.813 457 2HE2 GLN 59 2HE2 GLN 59 -11.602 6.486 9.889 458 H VAL 60 H VAL 60 -4.943 8.247 9.200 459 HA VAL 60 HA VAL 60 -3.985 7.146 6.783 460 HB VAL 60 HB VAL 60 -2.300 6.024 8.093 461 1HG1 VAL 60 1HG1 VAL 60 -2.063 8.247 9.779 462 2HG1 VAL 60 2HG1 VAL 60 -2.905 8.820 8.338 463 3HG1 VAL 60 3HG1 VAL 60 -1.340 8.019 8.187 464 1HG2 VAL 60 1HG2 VAL 60 -2.611 6.561 10.720 465 2HG2 VAL 60 2HG2 VAL 60 -3.093 5.042 9.962 466 3HG2 VAL 60 3HG2 VAL 60 -4.292 6.304 10.247 467 H VAL 61 H VAL 61 -4.699 5.442 5.716 468 HA VAL 61 HA VAL 61 -6.370 3.480 7.086 469 HB VAL 61 HB VAL 61 -7.130 2.766 4.962 470 1HG1 VAL 61 1HG1 VAL 61 -8.365 4.579 4.615 471 2HG1 VAL 61 2HG1 VAL 61 -6.979 5.492 4.015 472 3HG1 VAL 61 3HG1 VAL 61 -7.316 5.431 5.747 473 1HG2 VAL 61 1HG2 VAL 61 -6.115 3.616 2.841 474 2HG2 VAL 61 2HG2 VAL 61 -5.077 2.531 3.766 475 3HG2 VAL 61 3HG2 VAL 61 -4.791 4.272 3.805 476 H ILE 62 H ILE 62 -3.248 3.839 5.633 477 HA ILE 62 HA ILE 62 -2.572 1.105 6.441 478 HB ILE 62 HB ILE 62 -3.001 1.147 3.970 479 1HG1 ILE 62 2HG1 ILE 62 -0.082 0.643 4.492 480 2HG1 ILE 62 1HG1 ILE 62 -1.324 -0.365 5.228 481 1HG2 ILE 62 1HG2 ILE 62 -1.939 3.529 3.839 482 2HG2 ILE 62 2HG2 ILE 62 -1.777 2.408 2.487 483 3HG2 ILE 62 3HG2 ILE 62 -0.438 2.630 3.615 484 1HD1 ILE 62 1HD1 ILE 62 -1.045 -1.602 3.383 485 2HD1 ILE 62 2HD1 ILE 62 -0.368 -0.260 2.459 486 3HD1 ILE 62 3HD1 ILE 62 -2.116 -0.407 2.649 487 H ASN 63 H ASN 63 -0.679 0.982 7.510 488 HA ASN 63 HA ASN 63 1.448 2.861 7.068 489 1HB ASN 63 2HB ASN 63 -0.246 4.004 8.632 490 2HB ASN 63 1HB ASN 63 0.285 2.846 9.846 491 1HD2 ASN 63 1HD2 ASN 63 0.559 5.848 9.416 492 2HD2 ASN 63 2HD2 ASN 63 2.237 6.149 9.698 493 H CYS 64 H CYS 64 2.052 0.538 6.543 494 HA CYS 64 HA CYS 64 3.246 -0.692 8.940 495 1HB CYS 64 2HB CYS 64 1.279 -1.957 7.860 496 2HB CYS 64 1HB CYS 64 2.389 -2.291 6.536 497 HG CYS 64 HG CYS 64 3.484 -3.170 9.234 498 H ALA 65 H ALA 65 5.191 -2.000 8.475 499 HA ALA 65 HA ALA 65 6.771 -0.732 6.349 500 1HB ALA 65 1HB ALA 65 8.730 -1.612 7.686 501 2HB ALA 65 2HB ALA 65 7.563 -2.028 8.941 502 3HB ALA 65 3HB ALA 65 7.767 -0.347 8.450 503 H ILE 66 H ILE 66 8.088 -1.947 4.974 504 HA ILE 66 HA ILE 66 7.467 -4.827 4.870 505 HB ILE 66 HB ILE 66 8.298 -4.107 2.299 506 1HG1 ILE 66 2HG1 ILE 66 6.137 -2.189 3.182 507 2HG1 ILE 66 1HG1 ILE 66 7.827 -1.726 3.006 508 1HG2 ILE 66 1HG2 ILE 66 6.324 -5.067 1.647 509 2HG2 ILE 66 2HG2 ILE 66 5.399 -4.317 2.948 510 3HG2 ILE 66 3HG2 ILE 66 6.455 -5.686 3.293 511 1HD1 ILE 66 1HD1 ILE 66 5.834 -1.761 1.039 512 2HD1 ILE 66 2HD1 ILE 66 6.951 -3.069 0.640 513 3HD1 ILE 66 3HD1 ILE 66 7.553 -1.421 0.836 514 H VAL 67 H VAL 67 9.130 -6.249 4.449 515 HA VAL 67 HA VAL 67 11.787 -5.189 3.906 516 HB VAL 67 HB VAL 67 12.788 -6.531 5.749 517 1HG1 VAL 67 1HG1 VAL 67 12.654 -4.807 7.285 518 2HG1 VAL 67 2HG1 VAL 67 10.944 -4.518 6.966 519 3HG1 VAL 67 3HG1 VAL 67 12.158 -4.010 5.791 520 1HG2 VAL 67 1HG2 VAL 67 9.896 -6.860 6.481 521 2HG2 VAL 67 2HG2 VAL 67 11.173 -6.965 7.692 522 3HG2 VAL 67 3HG2 VAL 67 11.149 -8.093 6.337 523 H ARG 68 H ARG 68 12.415 -6.305 2.232 524 HA ARG 68 HA ARG 68 12.295 -8.022 0.628 525 1HB ARG 68 2HB ARG 68 14.494 -7.989 1.681 526 2HB ARG 68 1HB ARG 68 13.931 -9.073 2.943 527 1HG ARG 68 2HG ARG 68 13.358 -10.581 0.816 528 2HG ARG 68 1HG ARG 68 14.699 -9.649 0.151 529 1HD ARG 68 2HD ARG 68 15.373 -10.497 2.792 530 2HD ARG 68 1HD ARG 68 14.805 -11.888 1.870 531 HE ARG 68 HE ARG 68 16.539 -10.710 0.172 532 1HH1 ARG 68 2HH1 ARG 68 16.793 -11.694 3.511 533 2HH1 ARG 68 1HH1 ARG 68 18.492 -12.016 3.416 534 1HH2 ARG 68 1HH2 ARG 68 18.773 -11.135 0.046 535 2HH2 ARG 68 2HH2 ARG 68 19.616 -11.700 1.450 536 H GLY 69 H GLY 69 9.945 -8.608 0.890 537 1HA GLY 69 2HA GLY 69 9.663 -11.393 1.210 538 2HA GLY 69 1HA GLY 69 9.092 -10.605 2.668 539 H VAL 70 H VAL 70 8.006 -8.265 1.236 540 HA VAL 70 HA VAL 70 5.555 -9.575 0.352 541 HB VAL 70 HB VAL 70 6.162 -7.073 1.693 542 1HG1 VAL 70 1HG1 VAL 70 4.394 -5.719 0.682 543 2HG1 VAL 70 2HG1 VAL 70 4.184 -6.933 -0.577 544 3HG1 VAL 70 3HG1 VAL 70 5.699 -6.039 -0.461 545 1HG2 VAL 70 1HG2 VAL 70 4.651 -9.040 2.341 546 2HG2 VAL 70 2HG2 VAL 70 3.460 -8.294 1.274 547 3HG2 VAL 70 3HG2 VAL 70 4.073 -7.405 2.669 548 H LYS 71 H LYS 71 4.970 -9.746 -1.678 549 HA LYS 71 HA LYS 71 6.384 -8.143 -3.700 550 1HB LYS 71 2HB LYS 71 5.486 -10.959 -3.598 551 2HB LYS 71 1HB LYS 71 5.224 -10.139 -5.131 552 1HG LYS 71 2HG LYS 71 7.870 -9.590 -4.170 553 2HG LYS 71 1HG LYS 71 7.581 -11.331 -4.198 554 1HD LYS 71 2HD LYS 71 6.523 -10.194 -6.591 555 2HD LYS 71 1HD LYS 71 8.172 -9.605 -6.370 556 1HE LYS 71 2HE LYS 71 8.188 -11.655 -7.658 557 2HE LYS 71 1HE LYS 71 8.944 -11.922 -6.087 558 1HZ LYS 71 1HZ LYS 71 7.138 -13.140 -5.337 559 2HZ LYS 71 2HZ LYS 71 7.278 -13.643 -6.946 560 3HZ LYS 71 3HZ LYS 71 6.086 -12.524 -6.512 561 H TYR 72 H TYR 72 5.194 -7.180 -5.371 562 HA TYR 72 HA TYR 72 2.475 -6.529 -4.618 563 1HB TYR 72 2HB TYR 72 4.572 -5.316 -6.245 564 2HB TYR 72 1HB TYR 72 2.992 -5.223 -7.008 565 HD1 TYR 72 HD1 TYR 72 2.955 -2.784 -6.815 566 HD2 TYR 72 HD2 TYR 72 3.278 -5.254 -3.362 567 HE1 TYR 72 HE1 TYR 72 2.393 -0.860 -5.390 568 HE2 TYR 72 HE2 TYR 72 2.717 -3.338 -1.932 569 HH TYR 72 HH TYR 72 2.633 -0.120 -3.116 570 H ASN 73 H ASN 73 1.014 -8.022 -5.121 571 HA ASN 73 HA ASN 73 1.152 -9.409 -7.686 572 1HB ASN 73 2HB ASN 73 0.207 -10.086 -5.077 573 2HB ASN 73 1HB ASN 73 -1.152 -10.178 -6.193 574 1HD2 ASN 73 1HD2 ASN 73 0.049 -11.008 -8.491 575 2HD2 ASN 73 2HD2 ASN 73 0.707 -12.591 -8.273 576 H GLN 74 H GLN 74 0.459 -8.011 -9.233 577 HA GLN 74 HA GLN 74 -1.672 -6.187 -8.932 578 1HB GLN 74 2HB GLN 74 0.229 -6.233 -10.686 579 2HB GLN 74 1HB GLN 74 -0.823 -7.320 -11.583 580 1HG GLN 74 2HG GLN 74 -2.397 -5.116 -10.810 581 2HG GLN 74 1HG GLN 74 -0.877 -4.473 -11.432 582 1HE2 GLN 74 1HE2 GLN 74 -3.293 -6.954 -12.211 583 2HE2 GLN 74 2HE2 GLN 74 -3.294 -6.662 -13.914 584 H ALA 75 H ALA 75 -3.367 -7.453 -8.009 585 HA ALA 75 HA ALA 75 -4.513 -9.738 -9.083 586 1HB ALA 75 1HB ALA 75 -5.401 -9.284 -7.038 587 2HB ALA 75 2HB ALA 75 -6.685 -8.609 -8.042 588 3HB ALA 75 3HB ALA 75 -5.470 -7.545 -7.329 589 H THR 76 H THR 76 -4.743 -6.431 -10.106 590 HA THR 76 HA THR 76 -5.869 -7.151 -12.619 591 HB THR 76 HB THR 76 -7.956 -7.213 -11.430 592 HG1 THR 76 HG1 THR 76 -7.792 -4.670 -12.665 593 1HG2 THR 76 1HG2 THR 76 -7.174 -4.546 -10.299 594 2HG2 THR 76 2HG2 THR 76 -7.518 -6.038 -9.423 595 3HG2 THR 76 3HG2 THR 76 -8.817 -5.187 -10.258 596 HA PRO 77 HA PRO 77 -3.697 -3.674 -14.215 597 1HB PRO 77 2HB PRO 77 -6.414 -2.770 -15.112 598 2HB PRO 77 1HB PRO 77 -4.883 -2.766 -15.998 599 1HG PRO 77 2HG PRO 77 -6.699 -4.690 -16.389 600 2HG PRO 77 1HG PRO 77 -4.962 -5.040 -16.415 601 1HD PRO 77 2HD PRO 77 -6.991 -5.765 -14.405 602 2HD PRO 77 1HD PRO 77 -5.412 -6.502 -14.729 603 H ASN 78 H ASN 78 -6.646 -3.089 -12.358 604 HA ASN 78 HA ASN 78 -5.455 -0.559 -11.427 605 1HB ASN 78 2HB ASN 78 -7.869 -0.864 -12.758 606 2HB ASN 78 1HB ASN 78 -8.344 -0.738 -11.067 607 1HD2 ASN 78 1HD2 ASN 78 -8.881 1.249 -10.570 608 2HD2 ASN 78 2HD2 ASN 78 -8.107 2.689 -11.126 609 H PHE 79 H PHE 79 -4.673 -2.755 -10.088 610 HA PHE 79 HA PHE 79 -5.580 -2.235 -7.457 611 1HB PHE 79 2HB PHE 79 -7.412 -3.741 -8.517 612 2HB PHE 79 1HB PHE 79 -6.233 -5.033 -8.318 613 HD1 PHE 79 HD1 PHE 79 -8.735 -3.030 -6.733 614 HD2 PHE 79 HD2 PHE 79 -5.356 -5.509 -5.988 615 HE1 PHE 79 HE1 PHE 79 -9.469 -3.326 -4.403 616 HE2 PHE 79 HE2 PHE 79 -6.088 -5.807 -3.652 617 HZ PHE 79 HZ PHE 79 -8.146 -4.714 -2.862 618 H HIS 80 H HIS 80 -3.938 -2.610 -6.125 619 HA HIS 80 HA HIS 80 -1.916 -4.596 -6.924 620 1HB HIS 80 2HB HIS 80 -1.638 -1.801 -6.177 621 2HB HIS 80 1HB HIS 80 -0.633 -2.854 -5.187 622 HD1 HIS 80 HD1 HIS 80 -0.474 -1.011 -8.210 623 HD2 HIS 80 HD2 HIS 80 0.863 -4.764 -7.032 624 HE1 HIS 80 HE1 HIS 80 1.302 -1.642 -9.870 625 HE2 HIS 80 HE2 HIS 80 2.042 -3.950 -9.184 626 H GLN 81 H GLN 81 -2.081 -6.326 -5.677 627 HA GLN 81 HA GLN 81 -2.680 -5.944 -2.815 628 1HB GLN 81 2HB GLN 81 -4.539 -7.078 -3.623 629 2HB GLN 81 1HB GLN 81 -3.603 -7.987 -4.799 630 1HG GLN 81 2HG GLN 81 -2.975 -8.542 -1.982 631 2HG GLN 81 1HG GLN 81 -4.587 -9.017 -2.515 632 1HE2 GLN 81 1HE2 GLN 81 -1.546 -10.097 -2.126 633 2HE2 GLN 81 2HE2 GLN 81 -1.511 -11.352 -3.314 634 H TRP 82 H TRP 82 -1.269 -6.723 -1.367 635 HA TRP 82 HA TRP 82 0.646 -8.776 -2.210 636 1HB TRP 82 2HB TRP 82 2.512 -7.587 -1.179 637 2HB TRP 82 1HB TRP 82 1.808 -6.633 -2.475 638 HD1 TRP 82 HD1 TRP 82 2.446 -6.599 1.253 639 HE1 TRP 82 HE1 TRP 82 1.798 -4.296 2.201 640 HE3 TRP 82 HE3 TRP 82 0.100 -4.663 -2.856 641 HZ2 TRP 82 HZ2 TRP 82 0.470 -1.967 1.323 642 HZ3 TRP 82 HZ3 TRP 82 -0.830 -2.389 -2.719 643 HH2 TRP 82 HH2 TRP 82 -0.646 -1.072 -0.672 644 H ARG 83 H ARG 83 1.288 -10.182 -0.626 645 HA ARG 83 HA ARG 83 -0.314 -10.158 1.797 646 1HB ARG 83 2HB ARG 83 -0.062 -12.223 0.428 647 2HB ARG 83 1HB ARG 83 1.652 -12.237 0.822 648 1HG ARG 83 2HG ARG 83 0.772 -12.201 3.289 649 2HG ARG 83 1HG ARG 83 -0.697 -12.839 2.547 650 1HD ARG 83 2HD ARG 83 1.859 -14.095 1.743 651 2HD ARG 83 1HD ARG 83 1.316 -14.392 3.395 652 HE ARG 83 HE ARG 83 -0.851 -14.841 1.708 653 1HH1 ARG 83 2HH1 ARG 83 2.304 -16.204 2.316 654 2HH1 ARG 83 1HH1 ARG 83 1.845 -17.802 1.834 655 1HH2 ARG 83 1HH2 ARG 83 -1.457 -16.943 1.073 656 2HH2 ARG 83 2HH2 ARG 83 -0.289 -18.221 1.127 657 H ASP 84 H ASP 84 0.460 -8.902 3.379 658 HA ASP 84 HA ASP 84 3.339 -8.931 3.928 659 1HB ASP 84 2HB ASP 84 2.244 -6.723 3.516 660 2HB ASP 84 1HB ASP 84 1.261 -6.988 4.950 661 H ALA 85 H ALA 85 4.102 -9.833 5.710 662 HA ALA 85 HA ALA 85 4.217 -10.940 7.679 663 1HB ALA 85 1HB ALA 85 1.847 -9.184 8.224 664 2HB ALA 85 2HB ALA 85 3.507 -8.999 8.790 665 3HB ALA 85 3HB ALA 85 2.495 -10.292 9.435 666 H ARG 86 H ARG 86 0.689 -10.791 7.676 667 HA ARG 86 HA ARG 86 0.579 -13.650 7.013 668 1HB ARG 86 2HB ARG 86 0.516 -13.603 9.419 669 2HB ARG 86 1HB ARG 86 -0.698 -12.332 9.412 670 1HG ARG 86 2HG ARG 86 -2.368 -13.793 9.241 671 2HG ARG 86 1HG ARG 86 -1.565 -14.679 7.944 672 1HD ARG 86 2HD ARG 86 -1.176 -14.999 10.912 673 2HD ARG 86 1HD ARG 86 -1.834 -16.179 9.778 674 HE ARG 86 HE ARG 86 0.634 -15.772 8.805 675 1HH1 ARG 86 2HH1 ARG 86 -0.512 -16.479 12.026 676 2HH1 ARG 86 1HH1 ARG 86 0.930 -17.318 12.489 677 1HH2 ARG 86 1HH2 ARG 86 2.529 -16.876 9.413 678 2HH2 ARG 86 2HH2 ARG 86 2.657 -17.542 11.006 679 H GLN 87 H GLN 87 -0.990 -10.540 7.185 680 HA GLN 87 HA GLN 87 -3.339 -11.524 5.780 681 1HB GLN 87 2HB GLN 87 -4.276 -9.321 6.174 682 2HB GLN 87 1HB GLN 87 -3.624 -9.958 7.678 683 1HG GLN 87 2HG GLN 87 -1.537 -8.521 6.485 684 2HG GLN 87 1HG GLN 87 -2.983 -7.531 6.298 685 1HE2 GLN 87 1HE2 GLN 87 -4.387 -7.670 8.422 686 2HE2 GLN 87 2HE2 GLN 87 -3.510 -7.308 9.865 687 H VAL 88 H VAL 88 -4.011 -9.377 4.249 688 HA VAL 88 HA VAL 88 -1.740 -8.940 2.450 689 HB VAL 88 HB VAL 88 -4.402 -9.635 1.265 690 1HG1 VAL 88 1HG1 VAL 88 -2.448 -8.633 -0.019 691 2HG1 VAL 88 2HG1 VAL 88 -3.157 -10.109 -0.676 692 3HG1 VAL 88 3HG1 VAL 88 -1.639 -10.183 0.219 693 1HG2 VAL 88 1HG2 VAL 88 -4.225 -11.616 2.386 694 2HG2 VAL 88 2HG2 VAL 88 -2.473 -11.499 2.545 695 3HG2 VAL 88 3HG2 VAL 88 -3.189 -11.986 1.007 696 H TRP 89 H TRP 89 -1.573 -6.877 1.908 697 HA TRP 89 HA TRP 89 -3.792 -5.085 2.502 698 1HB TRP 89 2HB TRP 89 -0.897 -4.548 1.829 699 2HB TRP 89 1HB TRP 89 -2.085 -3.291 2.161 700 HD1 TRP 89 HD1 TRP 89 -0.229 -6.172 3.917 701 HE1 TRP 89 HE1 TRP 89 -0.230 -5.710 6.450 702 HE3 TRP 89 HE3 TRP 89 -3.250 -2.052 3.980 703 HZ2 TRP 89 HZ2 TRP 89 -1.370 -3.836 8.238 704 HZ3 TRP 89 HZ3 TRP 89 -3.747 -0.983 6.139 705 HH2 TRP 89 HH2 TRP 89 -2.830 -1.858 8.222 706 H GLY 90 H GLY 90 -5.221 -5.146 0.847 707 1HA GLY 90 2HA GLY 90 -4.360 -5.108 -1.907 708 2HA GLY 90 1HA GLY 90 -6.014 -5.055 -1.330 709 H LEU 91 H LEU 91 -5.109 -3.472 -3.440 710 HA LEU 91 HA LEU 91 -5.658 -0.839 -2.327 711 1HB LEU 91 2HB LEU 91 -3.060 -1.647 -3.317 712 2HB LEU 91 1HB LEU 91 -3.702 -0.322 -4.257 713 HG LEU 91 HG LEU 91 -2.355 0.612 -2.540 714 1HD1 LEU 91 1HD1 LEU 91 -5.036 1.231 -2.850 715 2HD1 LEU 91 2HD1 LEU 91 -3.798 2.238 -2.100 716 3HD1 LEU 91 3HD1 LEU 91 -4.798 1.184 -1.106 717 1HD2 LEU 91 1HD2 LEU 91 -2.241 -0.071 -0.378 718 2HD2 LEU 91 2HD2 LEU 91 -2.784 -1.585 -1.103 719 3HD2 LEU 91 3HD2 LEU 91 -3.943 -0.519 -0.310 720 H ASN 92 H ASN 92 -7.493 -0.403 -3.412 721 HA ASN 92 HA ASN 92 -7.667 -1.123 -6.243 722 1HB ASN 92 2HB ASN 92 -9.570 -1.376 -4.440 723 2HB ASN 92 1HB ASN 92 -9.861 0.320 -4.807 724 1HD2 ASN 92 1HD2 ASN 92 -9.081 0.112 -7.602 725 2HD2 ASN 92 2HD2 ASN 92 -10.355 -0.746 -8.393 726 H PHE 93 H PHE 93 -6.637 0.251 -7.499 727 HA PHE 93 HA PHE 93 -6.311 3.014 -6.932 728 1HB PHE 93 2HB PHE 93 -5.866 1.501 -9.506 729 2HB PHE 93 1HB PHE 93 -5.275 3.115 -9.146 730 HD1 PHE 93 HD1 PHE 93 -3.707 3.360 -7.117 731 HD2 PHE 93 HD2 PHE 93 -4.589 -0.354 -8.993 732 HE1 PHE 93 HE1 PHE 93 -1.687 2.383 -6.120 733 HE2 PHE 93 HE2 PHE 93 -2.567 -1.338 -8.002 734 HZ PHE 93 HZ PHE 93 -1.114 0.031 -6.566 735 H GLY 94 H GLY 94 -6.922 4.753 -8.415 736 1HA GLY 94 2HA GLY 94 -9.709 4.379 -9.316 737 2HA GLY 94 1HA GLY 94 -9.028 5.904 -8.766 738 H SER 95 H SER 95 -6.529 5.352 -10.322 739 HA SER 95 HA SER 95 -7.543 5.666 -13.058 740 1HB SER 95 2HB SER 95 -6.049 7.650 -11.443 741 2HB SER 95 1HB SER 95 -5.494 7.435 -13.103 742 HG SER 95 HG SER 95 -7.233 9.035 -12.684 743 H LYS 96 H LYS 96 -5.873 5.370 -14.709 744 HA LYS 96 HA LYS 96 -4.348 3.059 -14.273 745 1HB LYS 96 2HB LYS 96 -4.242 5.132 -16.464 746 2HB LYS 96 1HB LYS 96 -3.289 3.654 -16.493 747 1HG LYS 96 2HG LYS 96 -5.149 2.307 -16.777 748 2HG LYS 96 1HG LYS 96 -6.256 3.530 -16.151 749 1HD LYS 96 2HD LYS 96 -4.708 4.060 -18.654 750 2HD LYS 96 1HD LYS 96 -6.156 3.053 -18.713 751 1HE LYS 96 2HE LYS 96 -7.455 4.862 -17.705 752 2HE LYS 96 1HE LYS 96 -6.007 5.866 -17.629 753 1HZ LYS 96 1HZ LYS 96 -6.374 4.914 -20.261 754 2HZ LYS 96 2HZ LYS 96 -6.353 6.510 -19.705 755 3HZ LYS 96 3HZ LYS 96 -7.804 5.644 -19.729 756 H GLU 97 H GLU 97 -3.444 6.476 -14.297 757 HA GLU 97 HA GLU 97 -0.665 6.140 -14.158 758 1HB GLU 97 2HB GLU 97 -2.502 8.352 -13.271 759 2HB GLU 97 1HB GLU 97 -0.762 8.453 -13.032 760 1HG GLU 97 2HG GLU 97 -0.541 8.037 -15.520 761 2HG GLU 97 1HG GLU 97 -2.277 8.322 -15.617 762 H ASP 98 H ASP 98 -3.093 6.406 -11.583 763 HA ASP 98 HA ASP 98 -1.435 6.497 -9.378 764 1HB ASP 98 2HB ASP 98 -4.025 4.945 -9.571 765 2HB ASP 98 1HB ASP 98 -3.281 5.561 -8.099 766 H ALA 99 H ALA 99 -3.008 3.506 -10.501 767 HA ALA 99 HA ALA 99 -1.575 1.684 -9.059 768 1HB ALA 99 1HB ALA 99 -2.277 1.092 -11.905 769 2HB ALA 99 2HB ALA 99 -3.536 1.352 -10.697 770 3HB ALA 99 3HB ALA 99 -2.371 0.043 -10.490 771 H ALA 100 H ALA 100 -0.536 3.400 -11.933 772 HA ALA 100 HA ALA 100 1.767 1.751 -12.389 773 1HB ALA 100 1HB ALA 100 0.655 4.237 -13.560 774 2HB ALA 100 2HB ALA 100 1.189 2.750 -14.346 775 3HB ALA 100 3HB ALA 100 2.377 3.926 -13.782 776 H GLN 101 H GLN 101 1.126 4.776 -10.703 777 HA GLN 101 HA GLN 101 3.897 5.335 -10.204 778 1HB GLN 101 2HB GLN 101 1.865 6.975 -10.304 779 2HB GLN 101 1HB GLN 101 1.653 6.534 -8.619 780 1HG GLN 101 2HG GLN 101 2.957 8.614 -8.988 781 2HG GLN 101 1HG GLN 101 3.786 7.388 -8.032 782 1HE2 GLN 101 1HE2 GLN 101 5.537 6.292 -8.921 783 2HE2 GLN 101 2HE2 GLN 101 6.378 6.879 -10.313 784 H PHE 102 H PHE 102 1.219 3.961 -8.345 785 HA PHE 102 HA PHE 102 2.438 3.820 -5.852 786 1HB PHE 102 2HB PHE 102 0.012 3.275 -6.533 787 2HB PHE 102 1HB PHE 102 0.604 1.659 -6.864 788 HD1 PHE 102 HD1 PHE 102 0.012 0.175 -5.197 789 HD2 PHE 102 HD2 PHE 102 1.173 4.137 -4.142 790 HE1 PHE 102 HE1 PHE 102 -0.259 -0.378 -2.817 791 HE2 PHE 102 HE2 PHE 102 0.906 3.584 -1.762 792 HZ PHE 102 HZ PHE 102 0.189 1.325 -1.096 793 H ALA 103 H ALA 103 2.396 1.358 -8.427 794 HA ALA 103 HA ALA 103 4.043 -0.489 -7.062 795 1HB ALA 103 1HB ALA 103 2.721 -0.328 -9.573 796 2HB ALA 103 2HB ALA 103 3.389 -1.749 -8.767 797 3HB ALA 103 3HB ALA 103 4.397 -0.796 -9.857 798 H ALA 104 H ALA 104 4.710 2.255 -9.123 799 HA ALA 104 HA ALA 104 7.291 1.868 -9.928 800 1HB ALA 104 1HB ALA 104 5.828 3.854 -10.398 801 2HB ALA 104 2HB ALA 104 7.520 4.232 -10.068 802 3HB ALA 104 3HB ALA 104 6.299 4.485 -8.820 803 H GLY 105 H GLY 105 6.478 3.660 -6.950 804 1HA GLY 105 2HA GLY 105 9.111 3.609 -5.929 805 2HA GLY 105 1HA GLY 105 7.664 3.940 -4.998 806 H MET 106 H MET 106 6.266 1.682 -5.032 807 HA MET 106 HA MET 106 7.326 0.109 -3.064 808 1HB MET 106 2HB MET 106 4.997 -0.046 -3.682 809 2HB MET 106 1HB MET 106 5.417 -0.678 -5.269 810 1HG MET 106 2HG MET 106 4.798 -2.572 -4.137 811 2HG MET 106 1HG MET 106 6.544 -2.586 -3.946 812 1HE MET 106 1HE MET 106 4.415 -4.194 -1.409 813 2HE MET 106 2HE MET 106 6.072 -4.123 -0.808 814 3HE MET 106 3HE MET 106 5.767 -4.371 -2.529 815 H ALA 107 H ALA 107 7.189 -0.850 -6.485 816 HA ALA 107 HA ALA 107 8.707 -3.118 -6.426 817 1HB ALA 107 1HB ALA 107 8.521 -0.979 -8.530 818 2HB ALA 107 2HB ALA 107 7.701 -2.539 -8.475 819 3HB ALA 107 3HB ALA 107 9.437 -2.465 -8.776 820 H SER 108 H SER 108 9.794 0.205 -6.253 821 HA SER 108 HA SER 108 12.571 -0.342 -6.591 822 1HB SER 108 2HB SER 108 11.170 1.934 -6.682 823 2HB SER 108 1HB SER 108 11.692 2.021 -5.000 824 HG SER 108 HG SER 108 13.803 1.997 -5.658 825 H ALA 109 H ALA 109 10.370 -0.193 -3.858 826 HA ALA 109 HA ALA 109 12.378 -0.321 -1.830 827 1HB ALA 109 1HB ALA 109 10.479 0.400 -0.838 828 2HB ALA 109 2HB ALA 109 10.196 -1.325 -0.593 829 3HB ALA 109 3HB ALA 109 9.436 -0.487 -1.948 830 H LEU 110 H LEU 110 10.274 -2.714 -3.363 831 HA LEU 110 HA LEU 110 11.224 -4.941 -1.893 832 1HB LEU 110 2HB LEU 110 10.127 -5.240 -4.655 833 2HB LEU 110 1HB LEU 110 9.869 -6.246 -3.243 834 HG LEU 110 HG LEU 110 8.664 -3.515 -3.691 835 1HD1 LEU 110 1HD1 LEU 110 7.911 -5.812 -4.902 836 2HD1 LEU 110 2HD1 LEU 110 6.821 -4.482 -4.509 837 3HD1 LEU 110 3HD1 LEU 110 6.943 -5.871 -3.428 838 1HD2 LEU 110 1HD2 LEU 110 9.204 -4.666 -1.286 839 2HD2 LEU 110 2HD2 LEU 110 7.576 -5.264 -1.610 840 3HD2 LEU 110 3HD2 LEU 110 7.890 -3.529 -1.589 841 H GLU 111 H GLU 111 12.214 -3.397 -4.871 842 HA GLU 111 HA GLU 111 14.030 -5.464 -5.666 843 1HB GLU 111 2HB GLU 111 13.428 -2.681 -6.574 844 2HB GLU 111 1HB GLU 111 14.904 -3.467 -7.116 845 1HG GLU 111 2HG GLU 111 13.326 -5.415 -7.751 846 2HG GLU 111 1HG GLU 111 12.067 -4.186 -7.668 847 H ALA 112 H ALA 112 14.147 -2.840 -3.485 848 HA ALA 112 HA ALA 112 17.086 -2.958 -3.356 849 1HB ALA 112 1HB ALA 112 15.092 -0.844 -2.724 850 2HB ALA 112 2HB ALA 112 16.674 -0.712 -3.492 851 3HB ALA 112 3HB ALA 112 16.556 -0.913 -1.743 852 H LEU 113 H LEU 113 14.507 -4.418 -2.162 853 HA LEU 113 HA LEU 113 15.379 -4.508 0.624 854 1HB LEU 113 2HB LEU 113 12.874 -4.902 -0.858 855 2HB LEU 113 1HB LEU 113 13.140 -6.060 0.416 856 HG LEU 113 HG LEU 113 12.996 -3.067 0.701 857 1HD1 LEU 113 1HD1 LEU 113 11.117 -5.291 1.127 858 2HD1 LEU 113 2HD1 LEU 113 10.812 -3.600 0.734 859 3HD1 LEU 113 3HD1 LEU 113 11.166 -4.068 2.397 860 1HD2 LEU 113 1HD2 LEU 113 13.977 -5.175 2.554 861 2HD2 LEU 113 2HD2 LEU 113 13.039 -3.839 3.221 862 3HD2 LEU 113 3HD2 LEU 113 14.528 -3.515 2.334 863 H GLU 114 H GLU 114 14.857 -6.486 -2.239 864 HA GLU 114 HA GLU 114 16.092 -8.784 -0.886 865 1HB GLU 114 2HB GLU 114 14.829 -8.981 -3.591 866 2HB GLU 114 1HB GLU 114 14.973 -10.206 -2.340 867 1HG GLU 114 2HG GLU 114 13.212 -9.247 -1.077 868 2HG GLU 114 1HG GLU 114 13.195 -7.798 -2.079 869 H GLY 115 HN GLY 115 16.418 -6.546 -3.554 870 1HA GLY 115 2HA GLY 115 18.429 -7.920 -4.987 871 2HA GLY 115 1HA GLY 115 18.110 -6.195 -5.065 Start of MODEL 13 1 1H MET 1 1H MET 1 15.172 13.974 12.830 2 2H MET 1 2H MET 1 14.822 12.979 11.476 3 3H MET 1 3H MET 1 14.448 12.437 13.061 4 HA MET 1 HA MET 1 12.821 14.098 13.320 5 1HB MET 1 2HB MET 1 14.211 15.154 10.951 6 2HB MET 1 1HB MET 1 12.459 15.273 10.868 7 1HG MET 1 2HG MET 1 12.809 16.220 13.329 8 2HG MET 1 1HG MET 1 14.377 16.650 12.648 9 1HE MET 1 1HE MET 1 10.825 16.305 11.376 10 2HE MET 1 2HE MET 1 10.389 17.899 10.757 11 3HE MET 1 3HE MET 1 10.408 17.604 12.495 12 H SER 2 H SER 2 13.182 13.120 9.907 13 HA SER 2 HA SER 2 11.112 11.101 10.260 14 1HB SER 2 2HB SER 2 9.967 13.264 9.656 15 2HB SER 2 1HB SER 2 10.837 13.223 8.123 16 HG SER 2 HG SER 2 9.038 11.249 9.085 17 H GLU 3 H GLU 3 10.709 10.023 8.005 18 HA GLU 3 HA GLU 3 13.358 9.360 6.951 19 1HB GLU 3 2HB GLU 3 10.703 7.944 6.732 20 2HB GLU 3 1HB GLU 3 12.176 7.392 5.967 21 1HG GLU 3 2HG GLU 3 12.679 6.279 7.806 22 2HG GLU 3 1HG GLU 3 12.812 7.812 8.664 23 H THR 4 H THR 4 12.774 8.351 4.493 24 HA THR 4 HA THR 4 11.897 10.747 3.022 25 HB THR 4 HB THR 4 13.918 8.617 2.316 26 HG1 THR 4 HG1 THR 4 14.061 11.381 2.868 27 1HG2 THR 4 1HG2 THR 4 13.164 8.988 0.202 28 2HG2 THR 4 2HG2 THR 4 14.316 10.316 0.355 29 3HG2 THR 4 3HG2 THR 4 12.592 10.616 0.570 30 H VAL 5 H VAL 5 10.259 10.599 1.614 31 HA VAL 5 HA VAL 5 8.846 8.081 1.404 32 HB VAL 5 HB VAL 5 8.200 10.863 0.422 33 1HG1 VAL 5 1HG1 VAL 5 7.284 9.346 -1.207 34 2HG1 VAL 5 2HG1 VAL 5 5.977 9.956 -0.195 35 3HG1 VAL 5 3HG1 VAL 5 6.603 8.330 0.064 36 1HG2 VAL 5 1HG2 VAL 5 6.994 11.113 2.293 37 2HG2 VAL 5 2HG2 VAL 5 7.948 9.764 2.910 38 3HG2 VAL 5 3HG2 VAL 5 6.354 9.470 2.213 39 H ILE 6 H ILE 6 8.134 7.222 -0.681 40 HA ILE 6 HA ILE 6 10.241 7.528 -2.704 41 HB ILE 6 HB ILE 6 8.250 5.321 -2.874 42 1HG1 ILE 6 2HG1 ILE 6 10.362 5.599 -0.765 43 2HG1 ILE 6 1HG1 ILE 6 8.731 4.970 -0.623 44 1HG2 ILE 6 1HG2 ILE 6 9.903 4.229 -4.050 45 2HG2 ILE 6 2HG2 ILE 6 11.202 5.131 -3.266 46 3HG2 ILE 6 3HG2 ILE 6 10.191 5.914 -4.483 47 1HD1 ILE 6 1HD1 ILE 6 11.215 3.611 -1.456 48 2HD1 ILE 6 2HD1 ILE 6 9.716 3.113 -2.239 49 3HD1 ILE 6 3HD1 ILE 6 9.867 3.023 -0.486 50 H CYS 7 H CYS 7 6.787 6.624 -2.819 51 HA CYS 7 HA CYS 7 6.397 8.639 -4.913 52 1HB CYS 7 2HB CYS 7 6.594 5.890 -5.421 53 2HB CYS 7 1HB CYS 7 4.873 6.251 -5.494 54 HG CYS 7 HG CYS 7 5.303 7.854 -7.447 55 H SER 8 H SER 8 3.814 8.202 -5.571 56 HA SER 8 HA SER 8 2.180 7.903 -3.204 57 1HB SER 8 2HB SER 8 1.616 10.506 -4.428 58 2HB SER 8 1HB SER 8 1.740 10.065 -2.725 59 HG SER 8 HG SER 8 3.387 11.558 -3.676 60 H SER 9 H SER 9 0.374 6.908 -3.837 61 HA SER 9 HA SER 9 -0.702 7.548 -6.504 62 1HB SER 9 2HB SER 9 -0.879 5.348 -7.110 63 2HB SER 9 1HB SER 9 0.526 5.222 -6.055 64 HG SER 9 HG SER 9 -2.168 4.582 -5.484 65 H ARG 10 H ARG 10 -2.962 7.286 -6.780 66 HA ARG 10 HA ARG 10 -4.480 7.636 -4.293 67 1HB ARG 10 2HB ARG 10 -4.525 9.086 -6.602 68 2HB ARG 10 1HB ARG 10 -5.851 7.970 -6.891 69 1HG ARG 10 2HG ARG 10 -7.148 8.865 -5.253 70 2HG ARG 10 1HG ARG 10 -5.765 9.349 -4.268 71 1HD ARG 10 2HD ARG 10 -6.411 11.404 -5.001 72 2HD ARG 10 1HD ARG 10 -5.348 10.961 -6.335 73 HE ARG 10 HE ARG 10 -8.030 10.128 -6.804 74 1HH1 ARG 10 2HH1 ARG 10 -5.921 12.908 -6.888 75 2HH1 ARG 10 1HH1 ARG 10 -6.848 13.731 -8.096 76 1HH2 ARG 10 1HH2 ARG 10 -9.250 11.210 -8.394 77 2HH2 ARG 10 2HH2 ARG 10 -8.738 12.769 -8.950 78 H ALA 11 H ALA 11 -5.798 6.060 -3.564 79 HA ALA 11 HA ALA 11 -7.206 4.272 -5.263 80 1HB ALA 11 1HB ALA 11 -4.781 3.161 -3.855 81 2HB ALA 11 2HB ALA 11 -5.024 3.280 -5.596 82 3HB ALA 11 3HB ALA 11 -6.029 2.192 -4.639 83 H THR 12 H THR 12 -7.797 2.191 -3.755 84 HA THR 12 HA THR 12 -8.672 3.334 -1.182 85 HB THR 12 HB THR 12 -10.112 1.193 -2.751 86 HG1 THR 12 HG1 THR 12 -10.776 3.942 -2.630 87 1HG2 THR 12 1HG2 THR 12 -11.193 3.017 -0.626 88 2HG2 THR 12 2HG2 THR 12 -10.600 1.388 -0.308 89 3HG2 THR 12 3HG2 THR 12 -11.985 1.630 -1.373 90 H VAL 13 H VAL 13 -7.061 2.534 0.111 91 HA VAL 13 HA VAL 13 -5.751 0.145 0.016 92 HB VAL 13 HB VAL 13 -6.639 1.624 2.495 93 1HG1 VAL 13 1HG1 VAL 13 -4.676 -0.631 2.144 94 2HG1 VAL 13 2HG1 VAL 13 -6.070 -0.559 3.220 95 3HG1 VAL 13 3HG1 VAL 13 -4.658 0.449 3.538 96 1HG2 VAL 13 1HG2 VAL 13 -4.096 2.233 2.348 97 2HG2 VAL 13 2HG2 VAL 13 -5.280 3.113 1.382 98 3HG2 VAL 13 3HG2 VAL 13 -4.310 1.841 0.644 99 H MET 14 H MET 14 -5.955 -1.834 1.195 100 HA MET 14 HA MET 14 -8.549 -2.596 2.213 101 1HB MET 14 2HB MET 14 -8.516 -2.849 -0.381 102 2HB MET 14 1HB MET 14 -7.466 -4.217 -0.081 103 1HG MET 14 2HG MET 14 -9.170 -5.512 0.511 104 2HG MET 14 1HG MET 14 -9.834 -4.283 1.585 105 1HE MET 14 1HE MET 14 -11.995 -3.674 1.405 106 2HE MET 14 2HE MET 14 -12.470 -5.230 0.724 107 3HE MET 14 3HE MET 14 -13.059 -3.733 0.000 108 H LEU 15 H LEU 15 -8.508 -4.832 3.089 109 HA LEU 15 HA LEU 15 -5.812 -5.871 3.570 110 1HB LEU 15 2HB LEU 15 -7.447 -4.515 5.507 111 2HB LEU 15 1HB LEU 15 -7.215 -6.181 5.998 112 HG LEU 15 HG LEU 15 -5.096 -4.094 5.519 113 1HD1 LEU 15 1HD1 LEU 15 -4.811 -4.053 7.760 114 2HD1 LEU 15 2HD1 LEU 15 -5.208 -5.761 7.952 115 3HD1 LEU 15 3HD1 LEU 15 -6.497 -4.573 7.752 116 1HD2 LEU 15 1HD2 LEU 15 -4.909 -7.058 5.545 117 2HD2 LEU 15 2HD2 LEU 15 -3.639 -6.133 6.347 118 3HD2 LEU 15 3HD2 LEU 15 -3.975 -5.871 4.636 119 H TYR 16 H TYR 16 -5.895 -7.883 2.798 120 HA TYR 16 HA TYR 16 -8.311 -9.355 2.570 121 1HB TYR 16 2HB TYR 16 -6.103 -9.527 1.176 122 2HB TYR 16 1HB TYR 16 -5.635 -10.681 2.417 123 HD1 TYR 16 HD1 TYR 16 -6.617 -12.852 2.523 124 HD2 TYR 16 HD2 TYR 16 -8.065 -9.984 -0.267 125 HE1 TYR 16 HE1 TYR 16 -7.893 -14.617 1.388 126 HE2 TYR 16 HE2 TYR 16 -9.346 -11.736 -1.418 127 HH TYR 16 HH TYR 16 -9.477 -15.045 -0.175 128 H ASP 17 H ASP 17 -8.874 -11.320 3.519 129 HA ASP 17 HA ASP 17 -7.659 -11.831 6.154 130 1HB ASP 17 2HB ASP 17 -10.102 -10.782 5.935 131 2HB ASP 17 1HB ASP 17 -10.538 -12.472 5.696 132 H ASP 18 H ASP 18 -6.340 -13.385 5.011 133 HA ASP 18 HA ASP 18 -7.126 -15.462 3.417 134 1HB ASP 18 2HB ASP 18 -5.178 -16.700 4.252 135 2HB ASP 18 1HB ASP 18 -4.786 -15.005 3.976 136 H GLY 19 H GLY 19 -7.747 -15.067 6.801 137 1HA GLY 19 2HA GLY 19 -8.229 -17.708 7.576 138 2HA GLY 19 1HA GLY 19 -8.997 -16.295 8.285 139 H ASN 20 H ASN 20 -10.335 -15.399 5.939 140 HA ASN 20 HA ASN 20 -12.274 -17.582 5.537 141 1HB ASN 20 2HB ASN 20 -12.833 -14.626 5.860 142 2HB ASN 20 1HB ASN 20 -14.040 -15.839 5.443 143 1HD2 ASN 20 1HD2 ASN 20 -11.607 -15.078 7.898 144 2HD2 ASN 20 2HD2 ASN 20 -12.507 -15.702 9.233 145 H LYS 21 H LYS 21 -9.973 -15.882 4.005 146 HA LYS 21 HA LYS 21 -9.486 -15.404 1.843 147 1HB LYS 21 2HB LYS 21 -11.145 -17.738 1.814 148 2HB LYS 21 1HB LYS 21 -11.501 -16.765 0.394 149 1HG LYS 21 2HG LYS 21 -8.755 -16.750 0.473 150 2HG LYS 21 1HG LYS 21 -9.162 -18.376 1.024 151 1HD LYS 21 2HD LYS 21 -9.981 -18.995 -0.990 152 2HD LYS 21 1HD LYS 21 -10.673 -17.405 -1.313 153 1HE LYS 21 2HE LYS 21 -8.097 -16.759 -1.475 154 2HE LYS 21 1HE LYS 21 -7.966 -18.463 -1.908 155 1HZ LYS 21 1HZ LYS 21 -9.835 -17.941 -3.548 156 2HZ LYS 21 2HZ LYS 21 -8.281 -17.388 -3.924 157 3HZ LYS 21 3HZ LYS 21 -9.432 -16.315 -3.305 158 H ARG 22 H ARG 22 -10.121 -13.208 2.147 159 HA ARG 22 HA ARG 22 -11.809 -12.174 0.200 160 1HB ARG 22 2HB ARG 22 -13.644 -11.276 1.702 161 2HB ARG 22 1HB ARG 22 -13.718 -12.996 1.345 162 1HG ARG 22 2HG ARG 22 -13.768 -13.434 3.510 163 2HG ARG 22 1HG ARG 22 -12.172 -12.703 3.690 164 1HD ARG 22 2HD ARG 22 -13.464 -10.464 3.734 165 2HD ARG 22 1HD ARG 22 -14.875 -11.464 4.073 166 HE ARG 22 HE ARG 22 -12.645 -12.007 5.799 167 1HH1 ARG 22 2HH1 ARG 22 -15.435 -9.972 5.296 168 2HH1 ARG 22 1HH1 ARG 22 -15.602 -9.571 6.972 169 1HH2 ARG 22 1HH2 ARG 22 -12.862 -11.481 8.005 170 2HH2 ARG 22 2HH2 ARG 22 -14.140 -10.426 8.510 171 H TRP 23 H TRP 23 -12.030 -9.826 0.332 172 HA TRP 23 HA TRP 23 -9.740 -8.636 1.573 173 1HB TRP 23 2HB TRP 23 -11.976 -7.609 -0.138 174 2HB TRP 23 1HB TRP 23 -10.911 -6.480 0.688 175 HD1 TRP 23 HD1 TRP 23 -11.256 -7.830 -2.559 176 HE1 TRP 23 HE1 TRP 23 -9.034 -8.003 -3.837 177 HE3 TRP 23 HE3 TRP 23 -8.038 -7.312 1.363 178 HZ2 TRP 23 HZ2 TRP 23 -6.275 -7.926 -3.255 179 HZ3 TRP 23 HZ3 TRP 23 -5.623 -7.370 0.918 180 HH2 TRP 23 HH2 TRP 23 -4.761 -7.672 -1.338 181 H LEU 24 H LEU 24 -10.042 -6.503 2.782 182 HA LEU 24 HA LEU 24 -12.388 -6.192 4.383 183 1HB LEU 24 2HB LEU 24 -10.439 -8.014 5.308 184 2HB LEU 24 1HB LEU 24 -10.277 -6.574 6.296 185 HG LEU 24 HG LEU 24 -12.876 -8.050 5.880 186 1HD1 LEU 24 1HD1 LEU 24 -10.867 -8.212 8.118 187 2HD1 LEU 24 2HD1 LEU 24 -11.387 -9.514 7.047 188 3HD1 LEU 24 3HD1 LEU 24 -12.517 -8.829 8.216 189 1HD2 LEU 24 1HD2 LEU 24 -12.504 -6.364 8.239 190 2HD2 LEU 24 2HD2 LEU 24 -13.866 -6.475 7.125 191 3HD2 LEU 24 3HD2 LEU 24 -12.471 -5.478 6.715 192 HA PRO 25 HA PRO 25 -10.770 -2.036 3.833 193 1HB PRO 25 2HB PRO 25 -12.491 -1.714 6.262 194 2HB PRO 25 1HB PRO 25 -12.368 -0.684 4.832 195 1HG PRO 25 2HG PRO 25 -14.404 -2.378 5.114 196 2HG PRO 25 1HG PRO 25 -13.655 -2.106 3.531 197 1HD PRO 25 2HD PRO 25 -13.471 -4.456 5.330 198 2HD PRO 25 1HD PRO 25 -13.324 -4.369 3.564 199 H ALA 26 H ALA 26 -8.611 -2.461 4.446 200 HA ALA 26 HA ALA 26 -7.549 -3.092 6.864 201 1HB ALA 26 1HB ALA 26 -5.519 -2.251 6.121 202 2HB ALA 26 2HB ALA 26 -6.279 -0.928 5.238 203 3HB ALA 26 3HB ALA 26 -6.391 -2.578 4.624 204 H GLY 27 H GLY 27 -8.189 0.225 5.775 205 1HA GLY 27 2HA GLY 27 -7.399 1.629 8.001 206 2HA GLY 27 1HA GLY 27 -8.723 2.125 6.960 207 H THR 28 H THR 28 -10.841 1.762 7.599 208 HA THR 28 HA THR 28 -11.288 0.440 10.166 209 HB THR 28 HB THR 28 -12.708 2.358 10.919 210 HG1 THR 28 HG1 THR 28 -11.557 3.549 8.632 211 1HG2 THR 28 1HG2 THR 28 -9.945 2.129 11.098 212 2HG2 THR 28 2HG2 THR 28 -11.003 3.124 12.098 213 3HG2 THR 28 3HG2 THR 28 -10.242 3.811 10.664 214 H GLY 29 H GLY 29 -13.374 2.587 8.282 215 1HA GLY 29 2HA GLY 29 -15.015 0.243 7.560 216 2HA GLY 29 1HA GLY 29 -15.751 1.680 8.252 217 HA PRO 30 HA PRO 30 -16.360 3.724 4.406 218 1HB PRO 30 2HB PRO 30 -14.301 5.754 5.149 219 2HB PRO 30 1HB PRO 30 -15.961 5.988 4.587 220 1HG PRO 30 2HG PRO 30 -15.344 6.311 7.154 221 2HG PRO 30 1HG PRO 30 -16.871 5.549 6.675 222 1HD PRO 30 2HD PRO 30 -14.389 4.305 7.763 223 2HD PRO 30 1HD PRO 30 -16.086 3.844 8.007 224 H GLN 31 H GLN 31 -15.238 4.495 2.394 225 HA GLN 31 HA GLN 31 -12.469 3.710 2.088 226 1HB GLN 31 2HB GLN 31 -14.728 2.075 1.080 227 2HB GLN 31 1HB GLN 31 -13.383 2.322 -0.026 228 1HG GLN 31 2HG GLN 31 -11.844 1.356 1.532 229 2HG GLN 31 1HG GLN 31 -13.091 1.265 2.773 230 1HE2 GLN 31 1HE2 GLN 31 -11.478 -0.417 0.417 231 2HE2 GLN 31 2HE2 GLN 31 -12.568 -1.744 0.228 232 H ALA 32 H ALA 32 -13.065 6.188 1.844 233 HA ALA 32 HA ALA 32 -13.856 6.841 -0.884 234 1HB ALA 32 1HB ALA 32 -13.182 8.592 1.478 235 2HB ALA 32 2HB ALA 32 -14.788 8.232 0.844 236 3HB ALA 32 3HB ALA 32 -13.659 9.194 -0.109 237 H PHE 33 H PHE 33 -11.639 5.390 -1.044 238 HA PHE 33 HA PHE 33 -9.528 5.321 -1.874 239 1HB PHE 33 2HB PHE 33 -10.326 8.121 -2.619 240 2HB PHE 33 1HB PHE 33 -8.720 7.513 -2.980 241 HD1 PHE 33 HD1 PHE 33 -12.296 7.167 -3.714 242 HD2 PHE 33 HD2 PHE 33 -8.357 5.884 -4.676 243 HE1 PHE 33 HE1 PHE 33 -13.145 6.113 -5.769 244 HE2 PHE 33 HE2 PHE 33 -9.193 4.828 -6.726 245 HZ PHE 33 HZ PHE 33 -11.593 4.940 -7.281 246 H SER 34 H SER 34 -7.359 6.807 -1.842 247 HA SER 34 HA SER 34 -6.894 8.413 0.416 248 1HB SER 34 2HB SER 34 -5.340 6.231 1.262 249 2HB SER 34 1HB SER 34 -6.752 6.905 2.073 250 HG SER 34 HG SER 34 -6.498 4.601 0.569 251 H ARG 35 H ARG 35 -4.767 9.170 0.486 252 HA ARG 35 HA ARG 35 -3.203 8.560 -1.905 253 1HB ARG 35 2HB ARG 35 -3.728 10.932 -1.306 254 2HB ARG 35 1HB ARG 35 -2.759 10.736 0.149 255 1HG ARG 35 2HG ARG 35 -1.181 11.650 -1.182 256 2HG ARG 35 1HG ARG 35 -0.949 9.961 -1.639 257 1HD ARG 35 2HD ARG 35 -1.713 10.295 -3.721 258 2HD ARG 35 1HD ARG 35 -3.024 11.341 -3.174 259 HE ARG 35 HE ARG 35 -0.419 12.152 -4.097 260 1HH1 ARG 35 2HH1 ARG 35 -3.217 13.065 -2.220 261 2HH1 ARG 35 1HH1 ARG 35 -2.923 14.764 -2.378 262 1HH2 ARG 35 1HH2 ARG 35 -0.033 14.386 -4.305 263 2HH2 ARG 35 2HH2 ARG 35 -1.116 15.515 -3.564 264 H VAL 36 H VAL 36 -2.064 6.731 -1.531 265 HA VAL 36 HA VAL 36 -0.615 6.474 0.992 266 HB VAL 36 HB VAL 36 -0.959 4.431 -1.201 267 1HG1 VAL 36 1HG1 VAL 36 0.981 3.844 -0.012 268 2HG1 VAL 36 2HG1 VAL 36 -0.301 2.875 0.714 269 3HG1 VAL 36 3HG1 VAL 36 0.280 4.324 1.534 270 1HG2 VAL 36 1HG2 VAL 36 -2.932 5.345 0.406 271 2HG2 VAL 36 2HG2 VAL 36 -2.271 4.048 1.401 272 3HG2 VAL 36 3HG2 VAL 36 -2.853 3.700 -0.227 273 H GLN 37 H GLN 37 1.439 6.839 1.177 274 HA GLN 37 HA GLN 37 3.122 6.970 -1.235 275 1HB GLN 37 2HB GLN 37 3.111 8.589 1.295 276 2HB GLN 37 1HB GLN 37 4.565 8.470 0.316 277 1HG GLN 37 2HG GLN 37 3.111 9.255 -1.618 278 2HG GLN 37 1HG GLN 37 1.921 9.687 -0.395 279 1HE2 GLN 37 1HE2 GLN 37 4.547 10.733 -2.148 280 2HE2 GLN 37 2HE2 GLN 37 4.963 12.124 -1.213 281 H ILE 38 H ILE 38 5.364 6.236 -0.937 282 HA ILE 38 HA ILE 38 5.480 4.133 1.115 283 HB ILE 38 HB ILE 38 7.105 4.375 -1.420 284 1HG1 ILE 38 2HG1 ILE 38 4.721 2.635 -0.753 285 2HG1 ILE 38 1HG1 ILE 38 4.742 3.972 -1.898 286 1HG2 ILE 38 1HG2 ILE 38 8.180 3.151 0.468 287 2HG2 ILE 38 2HG2 ILE 38 7.879 2.153 -0.953 288 3HG2 ILE 38 3HG2 ILE 38 6.821 2.030 0.452 289 1HD1 ILE 38 1HD1 ILE 38 5.513 1.213 -2.255 290 2HD1 ILE 38 2HD1 ILE 38 6.781 2.329 -2.764 291 3HD1 ILE 38 3HD1 ILE 38 5.163 2.457 -3.454 292 H TYR 39 H TYR 39 7.358 3.849 2.359 293 HA TYR 39 HA TYR 39 9.036 6.261 2.507 294 1HB TYR 39 2HB TYR 39 7.898 4.452 4.586 295 2HB TYR 39 1HB TYR 39 9.448 5.228 4.908 296 HD1 TYR 39 HD1 TYR 39 6.204 6.305 3.375 297 HD2 TYR 39 HD2 TYR 39 9.258 7.089 6.221 298 HE1 TYR 39 HE1 TYR 39 5.051 8.372 4.027 299 HE2 TYR 39 HE2 TYR 39 8.122 9.160 6.888 300 HH TYR 39 HH TYR 39 5.066 9.836 6.343 301 H HIS 40 H HIS 40 11.077 6.059 1.947 302 HA HIS 40 HA HIS 40 12.240 3.389 1.749 303 1HB HIS 40 2HB HIS 40 12.342 4.726 -0.274 304 2HB HIS 40 1HB HIS 40 13.129 6.037 0.591 305 HD1 HIS 40 HD1 HIS 40 14.830 5.455 -1.558 306 HD2 HIS 40 HD2 HIS 40 14.817 2.894 1.714 307 HE1 HIS 40 HE1 HIS 40 16.996 4.182 -1.691 308 HE2 HIS 40 HE2 HIS 40 16.919 2.572 0.245 309 H ASN 41 H ASN 41 12.747 3.008 3.904 310 HA ASN 41 HA ASN 41 14.625 4.827 5.221 311 1HB ASN 41 2HB ASN 41 13.467 2.309 6.404 312 2HB ASN 41 1HB ASN 41 14.125 3.705 7.248 313 1HD2 ASN 41 1HD2 ASN 41 12.706 5.571 5.447 314 2HD2 ASN 41 2HD2 ASN 41 11.060 5.544 5.966 315 HA PRO 42 HA PRO 42 17.644 1.726 3.810 316 1HB PRO 42 2HB PRO 42 19.703 3.356 3.450 317 2HB PRO 42 1HB PRO 42 18.353 3.349 2.311 318 1HG PRO 42 2HG PRO 42 18.954 5.273 4.524 319 2HG PRO 42 1HG PRO 42 18.371 5.604 2.883 320 1HD PRO 42 2HD PRO 42 16.760 5.476 5.127 321 2HD PRO 42 1HD PRO 42 16.197 5.241 3.463 322 H THR 43 H THR 43 17.778 4.011 6.443 323 HA THR 43 HA THR 43 20.156 3.412 7.689 324 HB THR 43 HB THR 43 19.152 4.141 9.749 325 HG1 THR 43 HG1 THR 43 16.668 3.631 8.484 326 1HG2 THR 43 1HG2 THR 43 18.363 6.230 9.195 327 2HG2 THR 43 2HG2 THR 43 17.516 5.646 7.762 328 3HG2 THR 43 3HG2 THR 43 19.275 5.781 7.754 329 H ALA 44 H ALA 44 17.228 1.517 7.537 330 HA ALA 44 HA ALA 44 18.580 -0.628 9.039 331 1HB ALA 44 1HB ALA 44 15.596 -0.315 8.853 332 2HB ALA 44 2HB ALA 44 16.552 0.419 10.140 333 3HB ALA 44 3HB ALA 44 16.525 -1.335 9.952 334 H ASN 45 H ASN 45 17.636 0.308 6.026 335 HA ASN 45 HA ASN 45 17.477 -0.763 4.031 336 1HB ASN 45 2HB ASN 45 19.346 -2.158 4.834 337 2HB ASN 45 1HB ASN 45 18.201 -3.244 5.612 338 1HD2 ASN 45 1HD2 ASN 45 18.114 -1.690 2.428 339 2HD2 ASN 45 2HD2 ASN 45 18.037 -3.160 1.525 340 H SER 46 H SER 46 15.189 -0.212 5.368 341 HA SER 46 HA SER 46 13.463 -2.437 4.532 342 1HB SER 46 2HB SER 46 12.015 -1.495 6.608 343 2HB SER 46 1HB SER 46 13.151 -2.836 6.755 344 HG SER 46 HG SER 46 13.733 -0.104 7.273 345 H PHE 47 H PHE 47 11.043 -1.562 4.723 346 HA PHE 47 HA PHE 47 10.895 1.206 3.797 347 1HB PHE 47 2HB PHE 47 10.012 -1.209 2.224 348 2HB PHE 47 1HB PHE 47 9.360 0.398 1.919 349 HD1 PHE 47 HD1 PHE 47 10.709 2.117 0.924 350 HD2 PHE 47 HD2 PHE 47 12.316 -1.734 1.710 351 HE1 PHE 47 HE1 PHE 47 12.638 2.640 -0.510 352 HE2 PHE 47 HE2 PHE 47 14.253 -1.227 0.277 353 HZ PHE 47 HZ PHE 47 14.417 0.965 -0.836 354 H ARG 48 H ARG 48 8.381 1.616 3.260 355 HA ARG 48 HA ARG 48 6.547 0.181 4.913 356 1HB ARG 48 2HB ARG 48 7.682 1.370 6.689 357 2HB ARG 48 1HB ARG 48 7.500 2.895 5.836 358 1HG ARG 48 2HG ARG 48 5.331 3.139 6.445 359 2HG ARG 48 1HG ARG 48 5.026 1.403 6.470 360 1HD ARG 48 2HD ARG 48 5.169 1.499 8.687 361 2HD ARG 48 1HD ARG 48 6.891 1.827 8.493 362 HE ARG 48 HE ARG 48 5.233 4.168 8.294 363 1HH1 ARG 48 2HH1 ARG 48 6.946 2.049 10.474 364 2HH1 ARG 48 1HH1 ARG 48 7.109 3.249 11.712 365 1HH2 ARG 48 1HH2 ARG 48 5.446 5.747 9.921 366 2HH2 ARG 48 2HH2 ARG 48 6.256 5.348 11.398 367 H VAL 49 H VAL 49 4.401 0.841 4.670 368 HA VAL 49 HA VAL 49 3.956 2.707 2.438 369 HB VAL 49 HB VAL 49 1.746 1.490 2.210 370 1HG1 VAL 49 1HG1 VAL 49 4.426 0.468 1.556 371 2HG1 VAL 49 2HG1 VAL 49 3.057 0.825 0.503 372 3HG1 VAL 49 3HG1 VAL 49 3.107 -0.692 1.400 373 1HG2 VAL 49 1HG2 VAL 49 1.186 -0.254 3.508 374 2HG2 VAL 49 2HG2 VAL 49 2.389 0.394 4.623 375 3HG2 VAL 49 3HG2 VAL 49 2.824 -0.902 3.509 376 H VAL 50 H VAL 50 2.964 4.564 2.914 377 HA VAL 50 HA VAL 50 1.248 4.669 5.306 378 HB VAL 50 HB VAL 50 2.792 7.093 4.494 379 1HG1 VAL 50 1HG1 VAL 50 1.170 7.419 6.191 380 2HG1 VAL 50 2HG1 VAL 50 2.743 7.416 6.988 381 3HG1 VAL 50 3HG1 VAL 50 1.707 5.990 7.075 382 1HG2 VAL 50 1HG2 VAL 50 4.472 5.291 4.586 383 2HG2 VAL 50 2HG2 VAL 50 3.944 4.903 6.223 384 3HG2 VAL 50 3HG2 VAL 50 4.681 6.468 5.882 385 H GLY 51 H GLY 51 -0.772 5.172 4.767 386 1HA GLY 51 2HA GLY 51 -1.202 7.204 2.691 387 2HA GLY 51 1HA GLY 51 -2.005 5.652 2.530 388 H ARG 52 H ARG 52 -3.133 8.333 2.797 389 HA ARG 52 HA ARG 52 -4.801 7.824 5.162 390 1HB ARG 52 2HB ARG 52 -5.008 10.374 5.317 391 2HB ARG 52 1HB ARG 52 -3.508 9.650 5.881 392 1HG ARG 52 2HG ARG 52 -2.276 10.643 4.289 393 2HG ARG 52 1HG ARG 52 -3.521 10.446 3.054 394 1HD ARG 52 2HD ARG 52 -3.732 12.676 3.265 395 2HD ARG 52 1HD ARG 52 -4.711 12.256 4.669 396 HE ARG 52 HE ARG 52 -2.046 13.400 4.669 397 1HH1 ARG 52 2HH1 ARG 52 -4.567 11.855 6.531 398 2HH1 ARG 52 1HH1 ARG 52 -3.965 12.429 8.049 399 1HH2 ARG 52 1HH2 ARG 52 -1.257 14.149 6.666 400 2HH2 ARG 52 2HH2 ARG 52 -2.088 13.729 8.127 401 H LYS 53 H LYS 53 -6.972 8.639 5.017 402 HA LYS 53 HA LYS 53 -8.162 8.164 2.509 403 1HB LYS 53 2HB LYS 53 -9.047 8.407 5.129 404 2HB LYS 53 1HB LYS 53 -9.809 9.755 4.300 405 1HG LYS 53 2HG LYS 53 -11.338 8.393 3.474 406 2HG LYS 53 1HG LYS 53 -10.080 7.473 2.648 407 1HD LYS 53 2HD LYS 53 -9.740 6.374 4.991 408 2HD LYS 53 1HD LYS 53 -11.375 6.968 5.295 409 1HE LYS 53 2HE LYS 53 -12.321 5.502 3.852 410 2HE LYS 53 1HE LYS 53 -10.957 5.556 2.736 411 1HZ LYS 53 1HZ LYS 53 -11.416 3.420 4.086 412 2HZ LYS 53 2HZ LYS 53 -10.655 4.242 5.352 413 3HZ LYS 53 3HZ LYS 53 -9.821 3.956 3.909 414 H MET 54 H MET 54 -9.656 9.722 1.409 415 HA MET 54 HA MET 54 -8.305 12.318 1.129 416 1HB MET 54 2HB MET 54 -10.197 11.117 -0.881 417 2HB MET 54 1HB MET 54 -8.995 12.375 -1.130 418 1HG MET 54 2HG MET 54 -7.336 10.457 -0.427 419 2HG MET 54 1HG MET 54 -8.658 9.431 -0.978 420 1HE MET 54 1HE MET 54 -5.548 11.709 -2.806 421 2HE MET 54 2HE MET 54 -6.604 12.403 -1.575 422 3HE MET 54 3HE MET 54 -6.837 12.819 -3.273 423 H GLN 55 H GLN 55 -9.982 12.177 3.250 424 HA GLN 55 HA GLN 55 -12.341 13.692 2.343 425 1HB GLN 55 2HB GLN 55 -13.276 12.887 4.656 426 2HB GLN 55 1HB GLN 55 -13.354 11.832 3.252 427 1HG GLN 55 2HG GLN 55 -11.621 10.480 4.021 428 2HG GLN 55 1HG GLN 55 -11.057 11.695 5.168 429 1HE2 GLN 55 1HE2 GLN 55 -12.162 8.797 5.238 430 2HE2 GLN 55 2HE2 GLN 55 -13.256 8.839 6.574 431 HA PRO 56 HA PRO 56 -11.327 17.230 4.732 432 1HB PRO 56 2HB PRO 56 -13.780 16.794 6.368 433 2HB PRO 56 1HB PRO 56 -13.248 18.238 5.498 434 1HG PRO 56 2HG PRO 56 -15.202 16.716 4.526 435 2HG PRO 56 1HG PRO 56 -13.991 17.439 3.451 436 1HD PRO 56 2HD PRO 56 -14.248 14.619 4.393 437 2HD PRO 56 1HD PRO 56 -13.703 15.241 2.822 438 H ASP 57 H ASP 57 -12.244 14.333 6.475 439 HA ASP 57 HA ASP 57 -11.223 15.194 9.004 440 1HB ASP 57 2HB ASP 57 -12.521 12.817 7.916 441 2HB ASP 57 1HB ASP 57 -11.256 12.422 9.077 442 H GLN 58 H GLN 58 -9.992 13.197 6.356 443 HA GLN 58 HA GLN 58 -7.900 12.485 5.824 444 1HB GLN 58 2HB GLN 58 -7.606 15.097 6.892 445 2HB GLN 58 1HB GLN 58 -6.278 14.132 7.519 446 1HG GLN 58 2HG GLN 58 -5.212 14.344 5.599 447 2HG GLN 58 1HG GLN 58 -6.540 13.537 4.766 448 1HE2 GLN 58 1HE2 GLN 58 -6.082 14.870 2.952 449 2HE2 GLN 58 2HE2 GLN 58 -6.637 16.506 2.898 450 H GLN 59 H GLN 59 -7.650 10.474 6.599 451 HA GLN 59 HA GLN 59 -6.351 10.184 9.204 452 1HB GLN 59 2HB GLN 59 -7.816 8.393 9.895 453 2HB GLN 59 1HB GLN 59 -8.783 9.818 9.543 454 1HG GLN 59 2HG GLN 59 -9.358 8.878 7.355 455 2HG GLN 59 1HG GLN 59 -8.415 7.438 7.738 456 1HE2 GLN 59 1HE2 GLN 59 -9.701 5.813 8.193 457 2HE2 GLN 59 2HE2 GLN 59 -11.150 5.885 9.132 458 H VAL 60 H VAL 60 -4.831 8.585 9.276 459 HA VAL 60 HA VAL 60 -3.905 7.523 6.813 460 HB VAL 60 HB VAL 60 -2.184 6.411 8.078 461 1HG1 VAL 60 1HG1 VAL 60 -1.830 8.585 9.750 462 2HG1 VAL 60 2HG1 VAL 60 -2.847 9.210 8.452 463 3HG1 VAL 60 3HG1 VAL 60 -1.300 8.455 8.072 464 1HG2 VAL 60 1HG2 VAL 60 -2.509 7.004 10.731 465 2HG2 VAL 60 2HG2 VAL 60 -2.827 5.435 9.991 466 3HG2 VAL 60 3HG2 VAL 60 -4.148 6.578 10.239 467 H VAL 61 H VAL 61 -4.672 5.836 5.755 468 HA VAL 61 HA VAL 61 -6.326 3.886 7.161 469 HB VAL 61 HB VAL 61 -7.179 3.215 5.065 470 1HG1 VAL 61 1HG1 VAL 61 -6.818 6.038 4.290 471 2HG1 VAL 61 2HG1 VAL 61 -7.452 5.755 5.912 472 3HG1 VAL 61 3HG1 VAL 61 -8.293 5.097 4.510 473 1HG2 VAL 61 1HG2 VAL 61 -5.112 2.943 3.845 474 2HG2 VAL 61 2HG2 VAL 61 -4.876 4.689 3.789 475 3HG2 VAL 61 3HG2 VAL 61 -6.217 3.950 2.912 476 H ILE 62 H ILE 62 -3.183 4.200 5.789 477 HA ILE 62 HA ILE 62 -2.640 1.394 6.434 478 HB ILE 62 HB ILE 62 -2.959 1.622 3.955 479 1HG1 ILE 62 2HG1 ILE 62 -0.080 0.967 4.453 480 2HG1 ILE 62 1HG1 ILE 62 -1.328 0.012 5.248 481 1HG2 ILE 62 1HG2 ILE 62 -0.394 3.201 4.043 482 2HG2 ILE 62 2HG2 ILE 62 -1.992 3.913 3.805 483 3HG2 ILE 62 3HG2 ILE 62 -1.346 2.778 2.620 484 1HD1 ILE 62 1HD1 ILE 62 -1.017 -1.220 3.364 485 2HD1 ILE 62 2HD1 ILE 62 -0.607 0.183 2.378 486 3HD1 ILE 62 3HD1 ILE 62 -2.288 -0.134 2.802 487 H ASN 63 H ASN 63 -0.831 1.141 7.604 488 HA ASN 63 HA ASN 63 1.388 2.959 7.384 489 1HB ASN 63 2HB ASN 63 1.323 3.677 9.753 490 2HB ASN 63 1HB ASN 63 -0.060 4.265 8.840 491 1HD2 ASN 63 1HD2 ASN 63 -0.817 4.521 11.119 492 2HD2 ASN 63 2HD2 ASN 63 -1.663 3.189 11.824 493 H CYS 64 H CYS 64 1.996 0.674 6.757 494 HA CYS 64 HA CYS 64 3.104 -0.669 9.122 495 1HB CYS 64 2HB CYS 64 0.983 -1.728 7.784 496 2HB CYS 64 1HB CYS 64 2.325 -2.461 6.912 497 HG CYS 64 HG CYS 64 1.935 -2.840 9.978 498 H ALA 65 H ALA 65 5.178 -1.321 8.925 499 HA ALA 65 HA ALA 65 6.670 -0.434 6.646 500 1HB ALA 65 1HB ALA 65 7.248 -0.853 9.303 501 2HB ALA 65 2HB ALA 65 8.414 -0.477 8.035 502 3HB ALA 65 3HB ALA 65 8.117 -2.155 8.490 503 H ILE 66 H ILE 66 7.577 -1.609 5.015 504 HA ILE 66 HA ILE 66 6.925 -4.482 4.959 505 HB ILE 66 HB ILE 66 7.400 -4.074 2.383 506 1HG1 ILE 66 2HG1 ILE 66 6.083 -1.460 3.021 507 2HG1 ILE 66 1HG1 ILE 66 7.842 -1.577 3.002 508 1HG2 ILE 66 1HG2 ILE 66 5.016 -3.895 2.036 509 2HG2 ILE 66 2HG2 ILE 66 4.790 -3.302 3.680 510 3HG2 ILE 66 3HG2 ILE 66 5.337 -4.955 3.408 511 1HD1 ILE 66 1HD1 ILE 66 5.970 -1.451 0.806 512 2HD1 ILE 66 2HD1 ILE 66 7.061 -2.836 0.669 513 3HD1 ILE 66 3HD1 ILE 66 7.718 -1.203 0.821 514 H VAL 67 H VAL 67 8.549 -5.868 4.985 515 HA VAL 67 HA VAL 67 11.243 -4.871 4.352 516 HB VAL 67 HB VAL 67 11.963 -6.968 5.679 517 1HG1 VAL 67 1HG1 VAL 67 10.664 -4.731 7.223 518 2HG1 VAL 67 2HG1 VAL 67 12.202 -4.575 6.373 519 3HG1 VAL 67 3HG1 VAL 67 12.044 -5.716 7.708 520 1HG2 VAL 67 1HG2 VAL 67 9.155 -6.629 6.728 521 2HG2 VAL 67 2HG2 VAL 67 10.395 -7.680 7.411 522 3HG2 VAL 67 3HG2 VAL 67 9.753 -8.006 5.801 523 H ARG 68 H ARG 68 12.736 -6.821 3.724 524 HA ARG 68 HA ARG 68 12.114 -7.651 1.185 525 1HB ARG 68 2HB ARG 68 14.367 -7.777 2.116 526 2HB ARG 68 1HB ARG 68 13.869 -9.064 3.204 527 1HG ARG 68 2HG ARG 68 13.281 -10.387 1.109 528 2HG ARG 68 1HG ARG 68 14.195 -9.162 0.226 529 1HD ARG 68 2HD ARG 68 15.299 -10.748 2.537 530 2HD ARG 68 1HD ARG 68 15.504 -11.201 0.846 531 HE ARG 68 HE ARG 68 16.360 -8.523 1.406 532 1HH1 ARG 68 2HH1 ARG 68 17.309 -11.880 1.476 533 2HH1 ARG 68 1HH1 ARG 68 19.003 -11.533 1.370 534 1HH2 ARG 68 1HH2 ARG 68 18.586 -8.064 1.268 535 2HH2 ARG 68 2HH2 ARG 68 19.727 -9.365 1.253 536 H GLY 69 H GLY 69 10.055 -8.515 0.904 537 1HA GLY 69 2HA GLY 69 9.677 -11.212 0.950 538 2HA GLY 69 1HA GLY 69 9.141 -10.702 2.539 539 H VAL 70 H VAL 70 8.211 -8.063 1.154 540 HA VAL 70 HA VAL 70 5.610 -9.182 0.440 541 HB VAL 70 HB VAL 70 6.506 -6.708 1.694 542 1HG1 VAL 70 1HG1 VAL 70 5.939 -5.547 -0.276 543 2HG1 VAL 70 2HG1 VAL 70 4.548 -5.382 0.795 544 3HG1 VAL 70 3HG1 VAL 70 4.503 -6.534 -0.537 545 1HG2 VAL 70 1HG2 VAL 70 4.440 -6.859 2.817 546 2HG2 VAL 70 2HG2 VAL 70 4.992 -8.520 2.596 547 3HG2 VAL 70 3HG2 VAL 70 3.738 -7.860 1.545 548 H LYS 71 H LYS 71 5.014 -9.407 -1.582 549 HA LYS 71 HA LYS 71 6.403 -7.859 -3.662 550 1HB LYS 71 2HB LYS 71 5.117 -10.577 -3.665 551 2HB LYS 71 1HB LYS 71 5.393 -9.708 -5.168 552 1HG LYS 71 2HG LYS 71 7.683 -9.991 -3.309 553 2HG LYS 71 1HG LYS 71 7.146 -11.427 -4.182 554 1HD LYS 71 2HD LYS 71 7.203 -9.349 -6.070 555 2HD LYS 71 1HD LYS 71 8.684 -9.186 -5.124 556 1HE LYS 71 2HE LYS 71 8.676 -11.846 -5.515 557 2HE LYS 71 1HE LYS 71 7.829 -11.327 -6.972 558 1HZ LYS 71 1HZ LYS 71 10.171 -11.431 -7.400 559 2HZ LYS 71 2HZ LYS 71 10.515 -10.433 -6.078 560 3HZ LYS 71 3HZ LYS 71 9.694 -9.807 -7.418 561 H TYR 72 H TYR 72 4.907 -7.680 -5.714 562 HA TYR 72 HA TYR 72 2.319 -6.639 -4.773 563 1HB TYR 72 2HB TYR 72 4.410 -5.446 -6.387 564 2HB TYR 72 1HB TYR 72 2.874 -5.440 -7.241 565 HD1 TYR 72 HD1 TYR 72 3.119 -5.263 -3.582 566 HD2 TYR 72 HD2 TYR 72 2.582 -3.040 -7.173 567 HE1 TYR 72 HE1 TYR 72 2.422 -3.316 -2.265 568 HE2 TYR 72 HE2 TYR 72 1.873 -1.086 -5.862 569 HH TYR 72 HH TYR 72 2.101 -0.200 -3.606 570 H ASN 73 H ASN 73 0.923 -8.245 -5.180 571 HA ASN 73 HA ASN 73 0.991 -9.604 -7.765 572 1HB ASN 73 2HB ASN 73 0.140 -10.307 -5.099 573 2HB ASN 73 1HB ASN 73 -1.178 -10.560 -6.238 574 1HD2 ASN 73 1HD2 ASN 73 -0.968 -12.092 -7.851 575 2HD2 ASN 73 2HD2 ASN 73 0.274 -13.293 -7.830 576 H GLN 74 H GLN 74 0.315 -7.753 -8.985 577 HA GLN 74 HA GLN 74 -1.899 -6.184 -8.632 578 1HB GLN 74 2HB GLN 74 -0.157 -6.864 -10.806 579 2HB GLN 74 1HB GLN 74 -1.810 -6.782 -11.399 580 1HG GLN 74 2HG GLN 74 -1.383 -4.553 -9.702 581 2HG GLN 74 1HG GLN 74 -0.021 -4.662 -10.815 582 1HE2 GLN 74 1HE2 GLN 74 -2.220 -2.718 -10.636 583 2HE2 GLN 74 2HE2 GLN 74 -2.970 -2.718 -12.193 584 H ALA 75 H ALA 75 -3.830 -6.925 -8.002 585 HA ALA 75 HA ALA 75 -4.943 -9.411 -8.749 586 1HB ALA 75 1HB ALA 75 -5.853 -7.021 -7.269 587 2HB ALA 75 2HB ALA 75 -5.928 -8.728 -6.829 588 3HB ALA 75 3HB ALA 75 -7.112 -8.053 -7.949 589 H THR 76 H THR 76 -5.279 -6.149 -10.020 590 HA THR 76 HA THR 76 -6.357 -7.210 -12.493 591 HB THR 76 HB THR 76 -8.415 -6.165 -12.481 592 HG1 THR 76 HG1 THR 76 -8.863 -4.306 -11.428 593 1HG2 THR 76 1HG2 THR 76 -7.952 -6.657 -9.552 594 2HG2 THR 76 2HG2 THR 76 -8.582 -7.805 -10.734 595 3HG2 THR 76 3HG2 THR 76 -9.525 -6.378 -10.301 596 HA PRO 77 HA PRO 77 -4.389 -3.899 -14.657 597 1HB PRO 77 2HB PRO 77 -6.979 -2.479 -15.098 598 2HB PRO 77 1HB PRO 77 -5.723 -2.917 -16.262 599 1HG PRO 77 2HG PRO 77 -7.981 -4.313 -16.133 600 2HG PRO 77 1HG PRO 77 -6.426 -5.127 -16.389 601 1HD PRO 77 2HD PRO 77 -8.101 -4.964 -13.925 602 2HD PRO 77 1HD PRO 77 -7.097 -6.302 -14.520 603 H ASN 78 H ASN 78 -6.733 -2.997 -12.227 604 HA ASN 78 HA ASN 78 -4.989 -0.780 -11.432 605 1HB ASN 78 2HB ASN 78 -6.948 0.643 -10.974 606 2HB ASN 78 1HB ASN 78 -6.834 0.227 -12.681 607 1HD2 ASN 78 1HD2 ASN 78 -8.852 0.413 -10.065 608 2HD2 ASN 78 2HD2 ASN 78 -10.139 -0.587 -10.637 609 H PHE 79 H PHE 79 -4.458 -2.765 -10.033 610 HA PHE 79 HA PHE 79 -5.527 -2.303 -7.442 611 1HB PHE 79 2HB PHE 79 -7.187 -3.899 -8.768 612 2HB PHE 79 1HB PHE 79 -6.017 -5.121 -8.283 613 HD1 PHE 79 HD1 PHE 79 -5.510 -5.390 -5.818 614 HD2 PHE 79 HD2 PHE 79 -8.794 -3.106 -7.273 615 HE1 PHE 79 HE1 PHE 79 -6.591 -5.542 -3.607 616 HE2 PHE 79 HE2 PHE 79 -9.877 -3.253 -5.069 617 HZ PHE 79 HZ PHE 79 -8.776 -4.469 -3.235 618 H HIS 80 H HIS 80 -3.633 -2.286 -6.390 619 HA HIS 80 HA HIS 80 -1.716 -4.445 -6.950 620 1HB HIS 80 2HB HIS 80 -1.376 -1.595 -6.229 621 2HB HIS 80 1HB HIS 80 -0.218 -2.728 -5.548 622 HD1 HIS 80 HD1 HIS 80 -0.255 -0.527 -8.177 623 HD2 HIS 80 HD2 HIS 80 0.477 -4.613 -8.009 624 HE1 HIS 80 HE1 HIS 80 1.047 -1.061 -10.258 625 HE2 HIS 80 HE2 HIS 80 1.545 -3.525 -10.097 626 H GLN 81 H GLN 81 -1.596 -5.997 -5.506 627 HA GLN 81 HA GLN 81 -2.250 -5.368 -2.704 628 1HB GLN 81 2HB GLN 81 -3.822 -6.950 -2.717 629 2HB GLN 81 1HB GLN 81 -3.591 -7.100 -4.450 630 1HG GLN 81 2HG GLN 81 -1.989 -8.873 -4.128 631 2HG GLN 81 1HG GLN 81 -2.079 -8.678 -2.379 632 1HE2 GLN 81 1HE2 GLN 81 -2.808 -10.698 -1.916 633 2HE2 GLN 81 2HE2 GLN 81 -4.364 -11.282 -2.379 634 H TRP 82 H TRP 82 -1.065 -6.416 -1.084 635 HA TRP 82 HA TRP 82 1.119 -8.159 -1.888 636 1HB TRP 82 2HB TRP 82 2.855 -6.858 -0.880 637 2HB TRP 82 1HB TRP 82 2.022 -5.843 -2.042 638 HD1 TRP 82 HD1 TRP 82 2.735 -6.183 1.671 639 HE1 TRP 82 HE1 TRP 82 2.009 -4.031 2.871 640 HE3 TRP 82 HE3 TRP 82 0.259 -3.907 -2.178 641 HZ2 TRP 82 HZ2 TRP 82 0.575 -1.681 2.271 642 HZ3 TRP 82 HZ3 TRP 82 -0.764 -1.706 -1.777 643 HH2 TRP 82 HH2 TRP 82 -0.608 -0.617 0.402 644 H ARG 83 H ARG 83 1.580 -9.674 -0.427 645 HA ARG 83 HA ARG 83 -0.011 -9.809 1.973 646 1HB ARG 83 2HB ARG 83 0.419 -11.811 0.587 647 2HB ARG 83 1HB ARG 83 2.133 -11.684 0.954 648 1HG ARG 83 2HG ARG 83 1.707 -12.108 3.291 649 2HG ARG 83 1HG ARG 83 -0.033 -12.113 3.001 650 1HD ARG 83 2HD ARG 83 0.396 -14.363 2.984 651 2HD ARG 83 1HD ARG 83 0.583 -13.989 1.271 652 HE ARG 83 HE ARG 83 2.813 -14.481 1.438 653 1HH1 ARG 83 2HH1 ARG 83 1.491 -14.114 4.647 654 2HH1 ARG 83 1HH1 ARG 83 2.924 -14.680 5.437 655 1HH2 ARG 83 1HH2 ARG 83 4.698 -15.227 2.477 656 2HH2 ARG 83 2HH2 ARG 83 4.744 -15.311 4.206 657 H ASP 84 H ASP 84 0.649 -8.393 3.506 658 HA ASP 84 HA ASP 84 3.493 -8.292 4.181 659 1HB ASP 84 2HB ASP 84 2.479 -6.132 3.747 660 2HB ASP 84 1HB ASP 84 1.214 -6.448 4.925 661 H ALA 85 H ALA 85 4.218 -9.281 5.901 662 HA ALA 85 HA ALA 85 4.357 -10.303 7.916 663 1HB ALA 85 1HB ALA 85 2.051 -9.793 9.332 664 2HB ALA 85 2HB ALA 85 2.211 -8.382 8.287 665 3HB ALA 85 3HB ALA 85 3.528 -8.831 9.370 666 H ARG 86 H ARG 86 0.832 -10.428 7.647 667 HA ARG 86 HA ARG 86 0.984 -13.292 7.028 668 1HB ARG 86 2HB ARG 86 0.793 -13.225 9.436 669 2HB ARG 86 1HB ARG 86 -0.548 -12.093 9.340 670 1HG ARG 86 2HG ARG 86 -2.016 -13.746 9.177 671 2HG ARG 86 1HG ARG 86 -1.139 -14.461 7.824 672 1HD ARG 86 2HD ARG 86 0.140 -15.821 9.205 673 2HD ARG 86 1HD ARG 86 -0.138 -14.809 10.622 674 HE ARG 86 HE ARG 86 -1.815 -16.936 9.646 675 1HH1 ARG 86 2HH1 ARG 86 -1.690 -14.036 11.583 676 2HH1 ARG 86 1HH1 ARG 86 -3.063 -14.470 12.544 677 1HH2 ARG 86 1HH2 ARG 86 -3.621 -17.508 10.908 678 2HH2 ARG 86 2HH2 ARG 86 -4.161 -16.440 12.161 679 H GLN 87 H GLN 87 -0.893 -10.340 7.187 680 HA GLN 87 HA GLN 87 -3.030 -11.503 5.593 681 1HB GLN 87 2HB GLN 87 -2.859 -8.648 6.535 682 2HB GLN 87 1HB GLN 87 -4.293 -9.562 6.086 683 1HG GLN 87 2HG GLN 87 -4.272 -10.790 8.079 684 2HG GLN 87 1HG GLN 87 -2.612 -10.324 8.447 685 1HE2 GLN 87 1HE2 GLN 87 -2.528 -7.702 8.266 686 2HE2 GLN 87 2HE2 GLN 87 -3.647 -6.942 9.340 687 H VAL 88 H VAL 88 -3.815 -9.351 4.107 688 HA VAL 88 HA VAL 88 -1.477 -8.641 2.490 689 HB VAL 88 HB VAL 88 -4.020 -9.657 1.235 690 1HG1 VAL 88 1HG1 VAL 88 -1.922 -8.191 0.196 691 2HG1 VAL 88 2HG1 VAL 88 -3.090 -9.138 -0.724 692 3HG1 VAL 88 3HG1 VAL 88 -1.542 -9.850 -0.269 693 1HG2 VAL 88 1HG2 VAL 88 -3.381 -11.685 1.958 694 2HG2 VAL 88 2HG2 VAL 88 -1.764 -11.128 2.390 695 3HG2 VAL 88 3HG2 VAL 88 -2.131 -11.566 0.719 696 H TRP 89 H TRP 89 -1.517 -6.640 1.662 697 HA TRP 89 HA TRP 89 -3.843 -4.995 2.320 698 1HB TRP 89 2HB TRP 89 -0.998 -4.250 1.654 699 2HB TRP 89 1HB TRP 89 -2.272 -3.084 1.983 700 HD1 TRP 89 HD1 TRP 89 -0.330 -5.918 3.783 701 HE1 TRP 89 HE1 TRP 89 -0.315 -5.389 6.301 702 HE3 TRP 89 HE3 TRP 89 -3.333 -1.776 3.767 703 HZ2 TRP 89 HZ2 TRP 89 -1.426 -3.472 8.050 704 HZ3 TRP 89 HZ3 TRP 89 -3.803 -0.654 5.905 705 HH2 TRP 89 HH2 TRP 89 -2.872 -1.485 8.001 706 H GLY 90 H GLY 90 -5.252 -5.174 0.638 707 1HA GLY 90 2HA GLY 90 -4.293 -5.027 -2.101 708 2HA GLY 90 1HA GLY 90 -5.951 -5.274 -1.591 709 H LEU 91 H LEU 91 -4.288 -3.279 -3.372 710 HA LEU 91 HA LEU 91 -5.603 -0.858 -2.325 711 1HB LEU 91 2HB LEU 91 -2.934 -1.332 -3.400 712 2HB LEU 91 1HB LEU 91 -3.744 0.017 -4.167 713 HG LEU 91 HG LEU 91 -2.341 0.712 -2.275 714 1HD1 LEU 91 1HD1 LEU 91 -4.902 1.352 -1.101 715 2HD1 LEU 91 2HD1 LEU 91 -4.938 1.496 -2.856 716 3HD1 LEU 91 3HD1 LEU 91 -3.744 2.397 -1.922 717 1HD2 LEU 91 1HD2 LEU 91 -3.946 -1.351 -0.904 718 2HD2 LEU 91 2HD2 LEU 91 -3.597 0.117 0.010 719 3HD2 LEU 91 3HD2 LEU 91 -2.277 -0.850 -0.647 720 H ASN 92 H ASN 92 -7.381 -0.376 -3.423 721 HA ASN 92 HA ASN 92 -7.574 -1.131 -6.243 722 1HB ASN 92 2HB ASN 92 -9.454 -1.423 -4.434 723 2HB ASN 92 1HB ASN 92 -9.770 0.276 -4.767 724 1HD2 ASN 92 1HD2 ASN 92 -9.048 0.141 -7.574 725 2HD2 ASN 92 2HD2 ASN 92 -10.319 -0.725 -8.359 726 H PHE 93 H PHE 93 -6.591 0.258 -7.529 727 HA PHE 93 HA PHE 93 -6.316 3.032 -6.958 728 1HB PHE 93 2HB PHE 93 -5.795 1.499 -9.505 729 2HB PHE 93 1HB PHE 93 -5.261 3.138 -9.169 730 HD1 PHE 93 HD1 PHE 93 -4.445 -0.295 -8.958 731 HD2 PHE 93 HD2 PHE 93 -3.746 3.464 -7.098 732 HE1 PHE 93 HE1 PHE 93 -2.412 -1.193 -7.910 733 HE2 PHE 93 HE2 PHE 93 -1.722 2.573 -6.046 734 HZ PHE 93 HZ PHE 93 -1.046 0.247 -6.457 735 H GLY 94 H GLY 94 -7.088 4.797 -8.184 736 1HA GLY 94 2HA GLY 94 -9.812 4.338 -9.187 737 2HA GLY 94 1HA GLY 94 -9.160 5.880 -8.650 738 H SER 95 H SER 95 -6.667 5.438 -10.203 739 HA SER 95 HA SER 95 -7.727 5.765 -12.928 740 1HB SER 95 2HB SER 95 -6.086 7.641 -11.319 741 2HB SER 95 1HB SER 95 -5.617 7.445 -13.009 742 HG SER 95 HG SER 95 -7.942 7.825 -13.445 743 H LYS 96 H LYS 96 -5.993 5.570 -14.608 744 HA LYS 96 HA LYS 96 -4.572 3.145 -14.226 745 1HB LYS 96 2HB LYS 96 -5.496 4.430 -16.403 746 2HB LYS 96 1HB LYS 96 -3.806 4.908 -16.482 747 1HG LYS 96 2HG LYS 96 -3.428 2.318 -16.113 748 2HG LYS 96 1HG LYS 96 -5.044 2.233 -16.819 749 1HD LYS 96 2HD LYS 96 -3.507 2.048 -18.617 750 2HD LYS 96 1HD LYS 96 -4.175 3.679 -18.693 751 1HE LYS 96 2HE LYS 96 -1.969 4.185 -18.935 752 2HE LYS 96 1HE LYS 96 -2.067 4.206 -17.174 753 1HZ LYS 96 1HZ LYS 96 -1.520 1.643 -17.601 754 2HZ LYS 96 2HZ LYS 96 -0.324 2.818 -17.372 755 3HZ LYS 96 3HZ LYS 96 -0.732 2.320 -18.936 756 H GLU 97 H GLU 97 -3.715 6.506 -13.935 757 HA GLU 97 HA GLU 97 -0.892 6.144 -14.051 758 1HB GLU 97 2HB GLU 97 -2.754 8.346 -13.398 759 2HB GLU 97 1HB GLU 97 -1.169 8.444 -12.644 760 1HG GLU 97 2HG GLU 97 -0.284 8.003 -15.041 761 2HG GLU 97 1HG GLU 97 -1.894 8.523 -15.537 762 H ASP 98 H ASP 98 -3.177 6.565 -11.352 763 HA ASP 98 HA ASP 98 -1.426 6.505 -9.229 764 1HB ASP 98 2HB ASP 98 -4.134 5.156 -9.335 765 2HB ASP 98 1HB ASP 98 -3.277 5.651 -7.878 766 H ALA 99 H ALA 99 -3.121 3.677 -10.574 767 HA ALA 99 HA ALA 99 -1.894 1.697 -9.112 768 1HB ALA 99 1HB ALA 99 -2.705 0.167 -10.678 769 2HB ALA 99 2HB ALA 99 -2.555 1.313 -12.010 770 3HB ALA 99 3HB ALA 99 -3.814 1.534 -10.795 771 H ALA 100 H ALA 100 -0.750 3.216 -12.102 772 HA ALA 100 HA ALA 100 1.527 1.512 -12.361 773 1HB ALA 100 1HB ALA 100 1.619 4.166 -13.636 774 2HB ALA 100 2HB ALA 100 0.244 3.150 -14.067 775 3HB ALA 100 3HB ALA 100 1.887 2.564 -14.323 776 H GLN 101 H GLN 101 0.931 4.640 -10.877 777 HA GLN 101 HA GLN 101 3.684 5.245 -10.418 778 1HB GLN 101 2HB GLN 101 1.694 6.870 -10.529 779 2HB GLN 101 1HB GLN 101 1.380 6.398 -8.865 780 1HG GLN 101 2HG GLN 101 2.656 8.465 -8.986 781 2HG GLN 101 1HG GLN 101 3.575 7.182 -8.200 782 1HE2 GLN 101 1HE2 GLN 101 5.208 6.102 -9.448 783 2HE2 GLN 101 2HE2 GLN 101 6.019 6.947 -10.719 784 H PHE 102 H PHE 102 1.064 3.959 -8.401 785 HA PHE 102 HA PHE 102 2.366 3.861 -5.969 786 1HB PHE 102 2HB PHE 102 -0.075 3.215 -6.655 787 2HB PHE 102 1HB PHE 102 0.579 1.597 -6.781 788 HD1 PHE 102 HD1 PHE 102 -0.097 0.342 -4.945 789 HD2 PHE 102 HD2 PHE 102 1.170 4.374 -4.389 790 HE1 PHE 102 HE1 PHE 102 -0.347 0.090 -2.513 791 HE2 PHE 102 HE2 PHE 102 0.921 4.121 -1.963 792 HZ PHE 102 HZ PHE 102 0.163 1.976 -1.017 793 H ALA 103 H ALA 103 2.241 1.267 -8.422 794 HA ALA 103 HA ALA 103 3.973 -0.496 -7.091 795 1HB ALA 103 1HB ALA 103 2.791 -0.269 -9.738 796 2HB ALA 103 2HB ALA 103 3.122 -1.703 -8.765 797 3HB ALA 103 3HB ALA 103 4.395 -1.001 -9.764 798 H ALA 104 H ALA 104 4.551 2.266 -9.142 799 HA ALA 104 HA ALA 104 7.119 1.975 -10.006 800 1HB ALA 104 1HB ALA 104 6.267 4.566 -8.755 801 2HB ALA 104 2HB ALA 104 5.500 3.972 -10.229 802 3HB ALA 104 3HB ALA 104 7.234 4.292 -10.207 803 H GLY 105 H GLY 105 6.349 3.682 -6.975 804 1HA GLY 105 2HA GLY 105 9.026 3.523 -6.007 805 2HA GLY 105 1HA GLY 105 7.619 3.982 -5.066 806 H MET 106 H MET 106 6.084 1.704 -5.295 807 HA MET 106 HA MET 106 6.902 0.146 -3.199 808 1HB MET 106 2HB MET 106 4.647 0.036 -4.081 809 2HB MET 106 1HB MET 106 5.236 -0.664 -5.584 810 1HG MET 106 2HG MET 106 4.407 -2.475 -4.412 811 2HG MET 106 1HG MET 106 6.139 -2.557 -4.134 812 1HE MET 106 1HE MET 106 5.953 -3.767 -0.979 813 2HE MET 106 2HE MET 106 5.584 -4.195 -2.651 814 3HE MET 106 3HE MET 106 4.291 -4.125 -1.451 815 H ALA 107 H ALA 107 7.159 -0.779 -6.624 816 HA ALA 107 HA ALA 107 8.620 -3.088 -6.376 817 1HB ALA 107 1HB ALA 107 8.100 -2.772 -8.561 818 2HB ALA 107 2HB ALA 107 9.736 -2.114 -8.616 819 3HB ALA 107 3HB ALA 107 8.353 -1.029 -8.481 820 H SER 108 H SER 108 9.759 0.254 -6.359 821 HA SER 108 HA SER 108 12.516 -0.247 -6.299 822 1HB SER 108 2HB SER 108 11.059 2.003 -6.420 823 2HB SER 108 1HB SER 108 11.469 2.037 -4.705 824 HG SER 108 HG SER 108 13.414 1.642 -6.721 825 H ALA 109 H ALA 109 10.070 -0.279 -3.770 826 HA ALA 109 HA ALA 109 11.905 -0.417 -1.583 827 1HB ALA 109 1HB ALA 109 9.916 0.190 -0.704 828 2HB ALA 109 2HB ALA 109 9.662 -1.552 -0.571 829 3HB ALA 109 3HB ALA 109 8.991 -0.662 -1.939 830 H LEU 110 H LEU 110 10.078 -2.805 -3.410 831 HA LEU 110 HA LEU 110 11.007 -5.051 -1.925 832 1HB LEU 110 2HB LEU 110 10.072 -5.475 -4.697 833 2HB LEU 110 1HB LEU 110 9.619 -6.301 -3.219 834 HG LEU 110 HG LEU 110 8.589 -3.631 -4.179 835 1HD1 LEU 110 1HD1 LEU 110 7.786 -6.024 -5.020 836 2HD1 LEU 110 2HD1 LEU 110 6.686 -4.663 -4.802 837 3HD1 LEU 110 3HD1 LEU 110 6.814 -5.902 -3.553 838 1HD2 LEU 110 1HD2 LEU 110 7.368 -4.925 -1.835 839 2HD2 LEU 110 2HD2 LEU 110 7.644 -3.218 -2.177 840 3HD2 LEU 110 3HD2 LEU 110 8.964 -4.223 -1.575 841 H GLU 111 H GLU 111 12.083 -3.416 -4.838 842 HA GLU 111 HA GLU 111 13.941 -5.449 -5.617 843 1HB GLU 111 2HB GLU 111 12.862 -3.202 -6.799 844 2HB GLU 111 1HB GLU 111 14.548 -2.768 -6.576 845 1HG GLU 111 2HG GLU 111 15.304 -4.427 -7.966 846 2HG GLU 111 1HG GLU 111 13.861 -5.412 -7.744 847 H ALA 112 H ALA 112 13.997 -2.835 -3.404 848 HA ALA 112 HA ALA 112 16.924 -2.954 -3.184 849 1HB ALA 112 1HB ALA 112 16.363 -0.705 -3.289 850 2HB ALA 112 2HB ALA 112 16.443 -0.983 -1.549 851 3HB ALA 112 3HB ALA 112 14.879 -0.927 -2.363 852 H LEU 113 H LEU 113 14.219 -4.358 -2.037 853 HA LEU 113 HA LEU 113 15.046 -4.583 0.737 854 1HB LEU 113 2HB LEU 113 12.625 -4.951 -0.840 855 2HB LEU 113 1HB LEU 113 12.876 -6.227 0.313 856 HG LEU 113 HG LEU 113 12.600 -3.290 0.883 857 1HD1 LEU 113 1HD1 LEU 113 10.867 -5.673 1.170 858 2HD1 LEU 113 2HD1 LEU 113 10.452 -4.007 0.765 859 3HD1 LEU 113 3HD1 LEU 113 10.793 -4.449 2.438 860 1HD2 LEU 113 1HD2 LEU 113 13.599 -5.520 2.600 861 2HD2 LEU 113 2HD2 LEU 113 12.691 -4.190 3.319 862 3HD2 LEU 113 3HD2 LEU 113 14.190 -3.865 2.452 863 H GLU 114 H GLU 114 14.637 -6.576 -2.153 864 HA GLU 114 HA GLU 114 15.861 -8.853 -0.774 865 1HB GLU 114 2HB GLU 114 14.760 -8.900 -3.573 866 2HB GLU 114 1HB GLU 114 14.979 -10.242 -2.460 867 1HG GLU 114 2HG GLU 114 13.204 -8.347 -1.282 868 2HG GLU 114 1HG GLU 114 12.662 -8.707 -2.919 869 H GLY 115 HN GLY 115 16.385 -6.558 -3.361 870 1HA GLY 115 2HA GLY 115 18.240 -6.082 -4.625 871 2HA GLY 115 1HA GLY 115 19.169 -6.851 -3.347 Start of MODEL 14 1 1H MET 1 1H MET 1 12.376 11.058 14.715 2 2H MET 1 2H MET 1 11.261 10.265 15.751 3 3H MET 1 3H MET 1 10.744 11.581 14.778 4 HA MET 1 HA MET 1 11.848 9.112 13.646 5 1HB MET 1 2HB MET 1 9.050 9.788 14.532 6 2HB MET 1 1HB MET 1 9.349 8.614 13.258 7 1HG MET 1 2HG MET 1 9.536 7.077 14.835 8 2HG MET 1 1HG MET 1 11.046 7.850 15.316 9 1HE MET 1 1HE MET 1 11.169 7.284 17.646 10 2HE MET 1 2HE MET 1 10.357 8.233 18.890 11 3HE MET 1 3HE MET 1 11.371 9.035 17.691 12 H SER 2 H SER 2 12.645 9.962 11.798 13 HA SER 2 HA SER 2 10.739 11.301 10.026 14 1HB SER 2 2HB SER 2 12.633 12.847 9.298 15 2HB SER 2 1HB SER 2 11.921 13.180 10.876 16 HG SER 2 HG SER 2 13.681 12.281 11.859 17 H GLU 3 H GLU 3 10.950 10.776 7.889 18 HA GLU 3 HA GLU 3 13.295 9.263 7.027 19 1HB GLU 3 2HB GLU 3 10.540 8.199 6.457 20 2HB GLU 3 1HB GLU 3 12.082 7.395 6.241 21 1HG GLU 3 2HG GLU 3 11.433 6.360 8.137 22 2HG GLU 3 1HG GLU 3 12.212 7.764 8.864 23 H THR 4 H THR 4 12.524 8.485 4.556 24 HA THR 4 HA THR 4 11.708 10.992 3.239 25 HB THR 4 HB THR 4 13.827 9.008 2.398 26 HG1 THR 4 HG1 THR 4 14.438 10.586 3.956 27 1HG2 THR 4 1HG2 THR 4 13.145 9.595 0.317 28 2HG2 THR 4 2HG2 THR 4 14.214 10.956 0.662 29 3HG2 THR 4 3HG2 THR 4 12.469 11.136 0.848 30 H VAL 5 H VAL 5 9.948 10.820 2.011 31 HA VAL 5 HA VAL 5 8.711 8.285 1.556 32 HB VAL 5 HB VAL 5 8.009 11.086 0.698 33 1HG1 VAL 5 1HG1 VAL 5 7.152 9.889 -1.112 34 2HG1 VAL 5 2HG1 VAL 5 5.792 9.986 0.004 35 3HG1 VAL 5 3HG1 VAL 5 6.727 8.500 -0.112 36 1HG2 VAL 5 1HG2 VAL 5 6.112 9.469 2.236 37 2HG2 VAL 5 2HG2 VAL 5 6.651 11.131 2.482 38 3HG2 VAL 5 3HG2 VAL 5 7.636 9.790 3.066 39 H ILE 6 H ILE 6 8.187 7.357 -0.509 40 HA ILE 6 HA ILE 6 10.279 7.879 -2.499 41 HB ILE 6 HB ILE 6 8.532 5.479 -2.705 42 1HG1 ILE 6 2HG1 ILE 6 10.564 5.968 -0.554 43 2HG1 ILE 6 1HG1 ILE 6 8.994 5.192 -0.439 44 1HG2 ILE 6 1HG2 ILE 6 10.315 4.565 -3.845 45 2HG2 ILE 6 2HG2 ILE 6 11.497 5.592 -3.032 46 3HG2 ILE 6 3HG2 ILE 6 10.439 6.271 -4.271 47 1HD1 ILE 6 1HD1 ILE 6 10.054 3.358 -1.914 48 2HD1 ILE 6 2HD1 ILE 6 10.451 3.428 -0.198 49 3HD1 ILE 6 3HD1 ILE 6 11.583 4.063 -1.391 50 H CYS 7 H CYS 7 6.942 6.606 -2.708 51 HA CYS 7 HA CYS 7 6.481 8.498 -4.916 52 1HB CYS 7 2HB CYS 7 6.528 5.628 -5.003 53 2HB CYS 7 1HB CYS 7 4.915 6.203 -5.409 54 HG CYS 7 HG CYS 7 6.855 6.034 -7.421 55 H SER 8 H SER 8 3.960 8.187 -5.542 56 HA SER 8 HA SER 8 2.242 8.006 -3.221 57 1HB SER 8 2HB SER 8 1.610 10.236 -3.034 58 2HB SER 8 1HB SER 8 3.330 10.392 -3.382 59 HG SER 8 HG SER 8 2.774 10.738 -5.574 60 H SER 9 H SER 9 0.427 7.035 -3.899 61 HA SER 9 HA SER 9 -0.603 7.722 -6.570 62 1HB SER 9 2HB SER 9 0.595 5.589 -6.759 63 2HB SER 9 1HB SER 9 -0.386 4.919 -5.456 64 HG SER 9 HG SER 9 -1.442 4.284 -7.230 65 H ARG 10 H ARG 10 -2.866 7.330 -6.886 66 HA ARG 10 HA ARG 10 -4.393 7.592 -4.397 67 1HB ARG 10 2HB ARG 10 -4.729 9.350 -6.055 68 2HB ARG 10 1HB ARG 10 -5.159 8.155 -7.271 69 1HG ARG 10 2HG ARG 10 -7.210 7.690 -6.262 70 2HG ARG 10 1HG ARG 10 -6.725 8.420 -4.731 71 1HD ARG 10 2HD ARG 10 -8.043 10.093 -5.551 72 2HD ARG 10 1HD ARG 10 -6.493 10.576 -6.239 73 HE ARG 10 HE ARG 10 -7.307 10.102 -8.329 74 1HH1 ARG 10 2HH1 ARG 10 -9.441 8.719 -5.938 75 2HH1 ARG 10 1HH1 ARG 10 -10.663 8.301 -7.090 76 1HH2 ARG 10 1HH2 ARG 10 -8.914 9.553 -9.845 77 2HH2 ARG 10 2HH2 ARG 10 -10.365 8.773 -9.309 78 H ALA 11 H ALA 11 -5.699 6.020 -3.680 79 HA ALA 11 HA ALA 11 -7.055 4.181 -5.365 80 1HB ALA 11 1HB ALA 11 -4.616 3.155 -3.921 81 2HB ALA 11 2HB ALA 11 -4.883 3.192 -5.661 82 3HB ALA 11 3HB ALA 11 -5.855 2.129 -4.644 83 H THR 12 H THR 12 -7.669 2.136 -3.824 84 HA THR 12 HA THR 12 -8.539 3.316 -1.265 85 HB THR 12 HB THR 12 -10.024 1.310 -2.977 86 HG1 THR 12 HG1 THR 12 -11.362 2.985 -3.485 87 1HG2 THR 12 1HG2 THR 12 -10.396 2.168 -0.231 88 2HG2 THR 12 2HG2 THR 12 -11.129 0.828 -1.115 89 3HG2 THR 12 3HG2 THR 12 -11.818 2.448 -1.237 90 H VAL 13 H VAL 13 -6.992 2.458 0.061 91 HA VAL 13 HA VAL 13 -5.782 0.002 -0.063 92 HB VAL 13 HB VAL 13 -6.483 1.670 2.345 93 1HG1 VAL 13 1HG1 VAL 13 -4.849 -0.864 2.249 94 2HG1 VAL 13 2HG1 VAL 13 -6.325 -0.581 3.173 95 3HG1 VAL 13 3HG1 VAL 13 -4.841 0.276 3.596 96 1HG2 VAL 13 1HG2 VAL 13 -4.076 1.302 0.608 97 2HG2 VAL 13 2HG2 VAL 13 -3.895 1.861 2.267 98 3HG2 VAL 13 3HG2 VAL 13 -4.864 2.793 1.124 99 H MET 14 H MET 14 -6.085 -1.980 0.983 100 HA MET 14 HA MET 14 -8.675 -2.594 2.130 101 1HB MET 14 2HB MET 14 -8.712 -2.841 -0.487 102 2HB MET 14 1HB MET 14 -7.789 -4.294 -0.181 103 1HG MET 14 2HG MET 14 -9.545 -5.387 0.728 104 2HG MET 14 1HG MET 14 -10.246 -3.925 1.410 105 1HE MET 14 1HE MET 14 -13.154 -4.865 -0.113 106 2HE MET 14 2HE MET 14 -12.966 -3.120 -0.285 107 3HE MET 14 3HE MET 14 -12.288 -3.946 1.118 108 H LEU 15 H LEU 15 -8.654 -4.449 3.404 109 HA LEU 15 HA LEU 15 -6.052 -5.813 3.618 110 1HB LEU 15 2HB LEU 15 -7.625 -4.434 5.640 111 2HB LEU 15 1HB LEU 15 -7.287 -6.092 6.098 112 HG LEU 15 HG LEU 15 -5.321 -3.879 5.557 113 1HD1 LEU 15 1HD1 LEU 15 -4.994 -5.598 7.888 114 2HD1 LEU 15 2HD1 LEU 15 -6.529 -4.727 7.865 115 3HD1 LEU 15 3HD1 LEU 15 -5.009 -3.838 7.765 116 1HD2 LEU 15 1HD2 LEU 15 -3.646 -5.797 6.127 117 2HD2 LEU 15 2HD2 LEU 15 -4.207 -5.570 4.470 118 3HD2 LEU 15 3HD2 LEU 15 -4.916 -6.832 5.477 119 H TYR 16 H TYR 16 -6.216 -7.859 3.006 120 HA TYR 16 HA TYR 16 -8.780 -9.157 2.862 121 1HB TYR 16 2HB TYR 16 -6.790 -9.372 1.218 122 2HB TYR 16 1HB TYR 16 -6.165 -10.537 2.375 123 HD1 TYR 16 HD1 TYR 16 -7.193 -12.695 2.646 124 HD2 TYR 16 HD2 TYR 16 -8.836 -9.836 -0.040 125 HE1 TYR 16 HE1 TYR 16 -8.585 -14.456 1.646 126 HE2 TYR 16 HE2 TYR 16 -10.239 -11.577 -1.057 127 HH TYR 16 HH TYR 16 -10.051 -14.203 -1.262 128 H ASP 17 H ASP 17 -9.525 -10.850 4.004 129 HA ASP 17 HA ASP 17 -7.965 -11.673 6.365 130 1HB ASP 17 2HB ASP 17 -10.795 -10.857 6.052 131 2HB ASP 17 1HB ASP 17 -10.523 -12.272 7.064 132 H ASP 18 H ASP 18 -7.025 -13.388 5.163 133 HA ASP 18 HA ASP 18 -8.315 -15.241 3.586 134 1HB ASP 18 2HB ASP 18 -5.806 -15.162 5.103 135 2HB ASP 18 1HB ASP 18 -6.417 -16.786 4.807 136 H GLY 19 H GLY 19 -8.485 -14.896 7.025 137 1HA GLY 19 2HA GLY 19 -9.111 -17.422 7.919 138 2HA GLY 19 1HA GLY 19 -9.842 -15.956 8.556 139 H ASN 20 H ASN 20 -11.025 -15.324 5.910 140 HA ASN 20 HA ASN 20 -12.975 -17.473 5.572 141 1HB ASN 20 2HB ASN 20 -13.614 -14.660 6.436 142 2HB ASN 20 1HB ASN 20 -14.798 -15.653 5.591 143 1HD2 ASN 20 1HD2 ASN 20 -12.662 -15.623 8.403 144 2HD2 ASN 20 2HD2 ASN 20 -13.689 -16.578 9.413 145 H LYS 21 H LYS 21 -10.760 -15.929 4.063 146 HA LYS 21 HA LYS 21 -10.356 -15.098 1.982 147 1HB LYS 21 2HB LYS 21 -12.027 -17.420 1.777 148 2HB LYS 21 1HB LYS 21 -12.395 -16.321 0.457 149 1HG LYS 21 2HG LYS 21 -9.558 -16.517 0.778 150 2HG LYS 21 1HG LYS 21 -10.260 -18.131 0.661 151 1HD LYS 21 2HD LYS 21 -11.128 -17.738 -1.457 152 2HD LYS 21 1HD LYS 21 -11.077 -15.984 -1.259 153 1HE LYS 21 2HE LYS 21 -8.467 -16.501 -1.051 154 2HE LYS 21 1HE LYS 21 -8.937 -17.878 -2.048 155 1HZ LYS 21 1HZ LYS 21 -8.938 -15.029 -2.693 156 2HZ LYS 21 2HZ LYS 21 -10.165 -15.975 -3.372 157 3HZ LYS 21 3HZ LYS 21 -8.544 -16.358 -3.664 158 H ARG 22 H ARG 22 -10.921 -12.935 2.373 159 HA ARG 22 HA ARG 22 -12.724 -11.778 0.611 160 1HB ARG 22 2HB ARG 22 -14.406 -10.901 2.318 161 2HB ARG 22 1HB ARG 22 -14.579 -12.579 1.823 162 1HG ARG 22 2HG ARG 22 -14.415 -13.259 3.921 163 2HG ARG 22 1HG ARG 22 -12.856 -12.452 4.096 164 1HD ARG 22 2HD ARG 22 -13.810 -11.021 5.501 165 2HD ARG 22 1HD ARG 22 -14.796 -10.422 4.168 166 HE ARG 22 HE ARG 22 -15.649 -12.091 6.334 167 1HH1 ARG 22 2HH1 ARG 22 -16.270 -11.221 3.012 168 2HH1 ARG 22 1HH1 ARG 22 -17.937 -11.686 3.072 169 1HH2 ARG 22 1HH2 ARG 22 -17.840 -12.703 6.414 170 2HH2 ARG 22 2HH2 ARG 22 -18.829 -12.527 5.003 171 H TRP 23 H TRP 23 -12.471 -9.565 0.528 172 HA TRP 23 HA TRP 23 -10.209 -8.455 1.762 173 1HB TRP 23 2HB TRP 23 -12.513 -7.263 0.245 174 2HB TRP 23 1HB TRP 23 -11.275 -6.239 0.956 175 HD1 TRP 23 HD1 TRP 23 -12.080 -7.641 -2.209 176 HE1 TRP 23 HE1 TRP 23 -10.034 -7.966 -3.723 177 HE3 TRP 23 HE3 TRP 23 -8.407 -7.166 1.302 178 HZ2 TRP 23 HZ2 TRP 23 -7.229 -7.995 -3.470 179 HZ3 TRP 23 HZ3 TRP 23 -6.063 -7.347 0.578 180 HH2 TRP 23 HH2 TRP 23 -5.491 -7.751 -1.757 181 H LEU 24 H LEU 24 -10.592 -6.102 2.795 182 HA LEU 24 HA LEU 24 -12.719 -5.713 4.569 183 1HB LEU 24 2HB LEU 24 -10.698 -7.571 5.474 184 2HB LEU 24 1HB LEU 24 -10.768 -6.172 6.527 185 HG LEU 24 HG LEU 24 -13.004 -8.087 5.879 186 1HD1 LEU 24 1HD1 LEU 24 -11.220 -7.603 8.197 187 2HD1 LEU 24 2HD1 LEU 24 -11.882 -9.112 7.568 188 3HD1 LEU 24 3HD1 LEU 24 -12.898 -8.033 8.526 189 1HD2 LEU 24 1HD2 LEU 24 -14.114 -6.036 5.956 190 2HD2 LEU 24 2HD2 LEU 24 -13.051 -5.401 7.211 191 3HD2 LEU 24 3HD2 LEU 24 -14.238 -6.643 7.608 192 HA PRO 25 HA PRO 25 -10.787 -1.715 3.841 193 1HB PRO 25 2HB PRO 25 -12.458 -1.224 6.279 194 2HB PRO 25 1HB PRO 25 -12.262 -0.223 4.835 195 1HG PRO 25 2HG PRO 25 -14.419 -1.759 5.146 196 2HG PRO 25 1HG PRO 25 -13.662 -1.553 3.558 197 1HD PRO 25 2HD PRO 25 -13.662 -3.905 5.354 198 2HD PRO 25 1HD PRO 25 -13.472 -3.831 3.593 199 H ALA 26 H ALA 26 -8.656 -2.088 4.407 200 HA ALA 26 HA ALA 26 -7.530 -2.841 6.758 201 1HB ALA 26 1HB ALA 26 -6.303 -0.587 5.222 202 2HB ALA 26 2HB ALA 26 -6.429 -2.201 4.522 203 3HB ALA 26 3HB ALA 26 -5.520 -1.954 6.013 204 H GLY 27 H GLY 27 -8.655 0.403 5.949 205 1HA GLY 27 2HA GLY 27 -7.646 1.792 8.145 206 2HA GLY 27 1HA GLY 27 -9.107 2.226 7.271 207 H THR 28 H THR 28 -11.056 1.905 8.209 208 HA THR 28 HA THR 28 -11.152 0.326 10.680 209 HB THR 28 HB THR 28 -10.986 2.552 11.494 210 HG1 THR 28 HG1 THR 28 -12.746 2.539 12.683 211 1HG2 THR 28 1HG2 THR 28 -11.748 4.407 10.531 212 2HG2 THR 28 2HG2 THR 28 -13.329 3.701 10.201 213 3HG2 THR 28 3HG2 THR 28 -11.984 3.400 9.103 214 H GLY 29 H GLY 29 -13.038 1.994 8.192 215 1HA GLY 29 2HA GLY 29 -14.672 -0.292 7.718 216 2HA GLY 29 1HA GLY 29 -15.536 0.910 8.666 217 HA PRO 30 HA PRO 30 -16.627 3.431 5.231 218 1HB PRO 30 2HB PRO 30 -15.129 5.763 5.593 219 2HB PRO 30 1HB PRO 30 -16.723 5.443 6.278 220 1HG PRO 30 2HG PRO 30 -14.030 5.193 7.528 221 2HG PRO 30 1HG PRO 30 -15.564 5.708 8.253 222 1HD PRO 30 2HD PRO 30 -14.549 3.270 8.708 223 2HD PRO 30 1HD PRO 30 -16.300 3.528 8.544 224 H GLN 31 H GLN 31 -15.864 4.382 3.217 225 HA GLN 31 HA GLN 31 -13.033 3.973 2.617 226 1HB GLN 31 2HB GLN 31 -15.297 2.691 1.083 227 2HB GLN 31 1HB GLN 31 -13.645 2.793 0.494 228 1HG GLN 31 2HG GLN 31 -12.975 1.074 1.736 229 2HG GLN 31 1HG GLN 31 -13.826 1.657 3.165 230 1HE2 GLN 31 1HE2 GLN 31 -14.361 0.070 0.053 231 2HE2 GLN 31 2HE2 GLN 31 -15.675 -0.919 0.582 232 H ALA 32 H ALA 32 -12.215 5.339 1.118 233 HA ALA 32 HA ALA 32 -13.742 6.766 -0.789 234 1HB ALA 32 1HB ALA 32 -13.161 8.119 1.815 235 2HB ALA 32 2HB ALA 32 -14.631 8.153 0.841 236 3HB ALA 32 3HB ALA 32 -13.207 9.056 0.322 237 H PHE 33 H PHE 33 -11.496 5.247 -0.965 238 HA PHE 33 HA PHE 33 -9.370 5.184 -1.762 239 1HB PHE 33 2HB PHE 33 -10.313 7.862 -2.730 240 2HB PHE 33 1HB PHE 33 -8.664 7.339 -3.030 241 HD1 PHE 33 HD1 PHE 33 -8.163 5.906 -4.784 242 HD2 PHE 33 HD2 PHE 33 -12.208 6.384 -3.555 243 HE1 PHE 33 HE1 PHE 33 -8.904 4.629 -6.746 244 HE2 PHE 33 HE2 PHE 33 -12.959 5.108 -5.520 245 HZ PHE 33 HZ PHE 33 -11.307 4.227 -7.121 246 H SER 34 H SER 34 -7.190 6.411 -1.746 247 HA SER 34 HA SER 34 -6.754 8.321 0.323 248 1HB SER 34 2HB SER 34 -5.822 5.493 0.874 249 2HB SER 34 1HB SER 34 -5.505 6.907 1.874 250 HG SER 34 HG SER 34 -7.750 5.341 1.702 251 H ARG 35 H ARG 35 -4.588 9.036 0.404 252 HA ARG 35 HA ARG 35 -3.058 8.339 -1.985 253 1HB ARG 35 2HB ARG 35 -3.628 10.765 -0.985 254 2HB ARG 35 1HB ARG 35 -2.118 10.467 -0.134 255 1HG ARG 35 2HG ARG 35 -1.236 11.425 -1.967 256 2HG ARG 35 1HG ARG 35 -1.365 9.788 -2.613 257 1HD ARG 35 2HD ARG 35 -2.819 10.445 -4.162 258 2HD ARG 35 1HD ARG 35 -3.849 11.202 -2.948 259 HE ARG 35 HE ARG 35 -2.941 13.237 -3.487 260 1HH1 ARG 35 2HH1 ARG 35 -0.977 10.709 -4.877 261 2HH1 ARG 35 1HH1 ARG 35 -0.016 11.802 -5.818 262 1HH2 ARG 35 1HH2 ARG 35 -1.679 14.674 -4.723 263 2HH2 ARG 35 2HH2 ARG 35 -0.415 14.052 -5.729 264 H VAL 36 H VAL 36 -1.974 6.488 -1.551 265 HA VAL 36 HA VAL 36 -0.502 6.277 0.960 266 HB VAL 36 HB VAL 36 -0.828 4.162 -1.163 267 1HG1 VAL 36 1HG1 VAL 36 -0.181 2.628 0.632 268 2HG1 VAL 36 2HG1 VAL 36 0.026 3.995 1.726 269 3HG1 VAL 36 3HG1 VAL 36 1.080 3.821 0.323 270 1HG2 VAL 36 1HG2 VAL 36 -2.311 3.912 1.360 271 2HG2 VAL 36 2HG2 VAL 36 -2.800 3.527 -0.289 272 3HG2 VAL 36 3HG2 VAL 36 -2.875 5.191 0.286 273 H GLN 37 H GLN 37 1.520 6.805 1.079 274 HA GLN 37 HA GLN 37 3.184 6.775 -1.344 275 1HB GLN 37 2HB GLN 37 3.390 8.407 1.184 276 2HB GLN 37 1HB GLN 37 4.632 8.379 -0.059 277 1HG GLN 37 2HG GLN 37 2.871 9.139 -1.675 278 2HG GLN 37 1HG GLN 37 1.815 9.392 -0.289 279 1HE2 GLN 37 1HE2 GLN 37 4.625 10.495 -1.998 280 2HE2 GLN 37 2HE2 GLN 37 4.792 12.001 -1.169 281 H ILE 38 H ILE 38 5.557 6.309 -0.861 282 HA ILE 38 HA ILE 38 5.668 4.104 1.090 283 HB ILE 38 HB ILE 38 7.371 4.507 -1.377 284 1HG1 ILE 38 2HG1 ILE 38 5.123 2.564 -0.799 285 2HG1 ILE 38 1HG1 ILE 38 5.056 3.921 -1.918 286 1HG2 ILE 38 1HG2 ILE 38 7.250 2.197 0.567 287 2HG2 ILE 38 2HG2 ILE 38 8.571 3.355 0.417 288 3HG2 ILE 38 3HG2 ILE 38 8.210 2.253 -0.911 289 1HD1 ILE 38 1HD1 ILE 38 7.280 2.300 -2.608 290 2HD1 ILE 38 2HD1 ILE 38 5.818 2.631 -3.535 291 3HD1 ILE 38 3HD1 ILE 38 5.863 1.269 -2.416 292 H TYR 39 H TYR 39 7.555 3.848 2.353 293 HA TYR 39 HA TYR 39 9.047 6.358 2.699 294 1HB TYR 39 2HB TYR 39 7.917 4.397 4.621 295 2HB TYR 39 1HB TYR 39 9.438 5.174 5.056 296 HD1 TYR 39 HD1 TYR 39 9.151 6.945 6.485 297 HD2 TYR 39 HD2 TYR 39 6.245 6.289 3.454 298 HE1 TYR 39 HE1 TYR 39 7.944 8.952 7.221 299 HE2 TYR 39 HE2 TYR 39 5.024 8.290 4.171 300 HH TYR 39 HH TYR 39 5.519 10.414 5.390 301 H HIS 40 H HIS 40 11.060 6.292 2.047 302 HA HIS 40 HA HIS 40 12.437 3.732 1.818 303 1HB HIS 40 2HB HIS 40 12.424 5.311 -0.104 304 2HB HIS 40 1HB HIS 40 13.309 6.472 0.875 305 HD1 HIS 40 HD1 HIS 40 14.453 5.341 -1.773 306 HD2 HIS 40 HD2 HIS 40 15.301 3.824 2.002 307 HE1 HIS 40 HE1 HIS 40 16.651 4.142 -2.008 308 HE2 HIS 40 HE2 HIS 40 17.103 3.165 0.270 309 H ASN 41 H ASN 41 12.950 3.270 3.940 310 HA ASN 41 HA ASN 41 14.671 5.170 5.368 311 1HB ASN 41 2HB ASN 41 13.402 2.646 6.441 312 2HB ASN 41 1HB ASN 41 14.166 3.929 7.370 313 1HD2 ASN 41 1HD2 ASN 41 11.842 3.417 8.284 314 2HD2 ASN 41 2HD2 ASN 41 10.624 4.524 7.761 315 HA PRO 42 HA PRO 42 17.719 2.060 3.894 316 1HB PRO 42 2HB PRO 42 19.719 3.770 3.412 317 2HB PRO 42 1HB PRO 42 18.393 3.552 2.265 318 1HG PRO 42 2HG PRO 42 18.803 5.718 4.297 319 2HG PRO 42 1HG PRO 42 18.277 5.856 2.609 320 1HD PRO 42 2HD PRO 42 16.550 5.898 4.719 321 2HD PRO 42 1HD PRO 42 16.108 5.296 3.108 322 H THR 43 H THR 43 17.771 4.482 6.388 323 HA THR 43 HA THR 43 20.202 4.082 7.620 324 HB THR 43 HB THR 43 17.651 4.331 9.201 325 HG1 THR 43 HG1 THR 43 17.722 6.550 8.743 326 1HG2 THR 43 1HG2 THR 43 20.266 4.426 10.002 327 2HG2 THR 43 2HG2 THR 43 18.893 5.118 10.865 328 3HG2 THR 43 3HG2 THR 43 19.857 6.129 9.787 329 H ALA 44 H ALA 44 17.383 2.028 7.592 330 HA ALA 44 HA ALA 44 18.901 -0.006 9.078 331 1HB ALA 44 1HB ALA 44 15.992 0.702 9.353 332 2HB ALA 44 2HB ALA 44 17.239 0.717 10.600 333 3HB ALA 44 3HB ALA 44 16.671 -0.816 9.939 334 H ASN 45 H ASN 45 17.871 0.761 6.139 335 HA ASN 45 HA ASN 45 17.440 -0.378 4.226 336 1HB ASN 45 2HB ASN 45 19.068 -2.097 5.800 337 2HB ASN 45 1HB ASN 45 17.835 -3.099 5.039 338 1HD2 ASN 45 1HD2 ASN 45 17.490 -1.630 2.676 339 2HD2 ASN 45 2HD2 ASN 45 18.928 -1.781 1.731 340 H SER 46 H SER 46 15.265 0.292 5.604 341 HA SER 46 HA SER 46 13.477 -1.990 5.131 342 1HB SER 46 2HB SER 46 13.599 -0.278 7.607 343 2HB SER 46 1HB SER 46 12.135 -1.151 7.157 344 HG SER 46 HG SER 46 13.812 -2.195 8.603 345 H PHE 47 H PHE 47 11.353 -1.457 4.518 346 HA PHE 47 HA PHE 47 10.978 1.356 3.723 347 1HB PHE 47 2HB PHE 47 10.317 -1.182 2.240 348 2HB PHE 47 1HB PHE 47 9.543 0.344 1.850 349 HD1 PHE 47 HD1 PHE 47 12.434 -1.703 1.396 350 HD2 PHE 47 HD2 PHE 47 10.999 2.292 1.196 351 HE1 PHE 47 HE1 PHE 47 14.342 -1.093 -0.038 352 HE2 PHE 47 HE2 PHE 47 12.899 2.912 -0.239 353 HZ PHE 47 HZ PHE 47 14.576 1.217 -0.856 354 H ARG 48 H ARG 48 8.524 1.740 3.210 355 HA ARG 48 HA ARG 48 6.660 0.210 4.745 356 1HB ARG 48 2HB ARG 48 7.697 1.345 6.606 357 2HB ARG 48 1HB ARG 48 7.547 2.897 5.799 358 1HG ARG 48 2HG ARG 48 5.338 3.105 6.294 359 2HG ARG 48 1HG ARG 48 5.061 1.363 6.304 360 1HD ARG 48 2HD ARG 48 4.931 1.775 8.544 361 2HD ARG 48 1HD ARG 48 6.665 1.487 8.404 362 HE ARG 48 HE ARG 48 6.465 4.153 8.036 363 1HH1 ARG 48 2HH1 ARG 48 5.246 2.003 10.500 364 2HH1 ARG 48 1HH1 ARG 48 5.298 3.202 11.748 365 1HH2 ARG 48 1HH2 ARG 48 6.534 5.730 9.675 366 2HH2 ARG 48 2HH2 ARG 48 6.028 5.319 11.280 367 H VAL 49 H VAL 49 4.515 0.817 4.430 368 HA VAL 49 HA VAL 49 4.105 2.779 2.274 369 HB VAL 49 HB VAL 49 1.919 1.520 1.929 370 1HG1 VAL 49 1HG1 VAL 49 3.863 1.308 0.441 371 2HG1 VAL 49 2HG1 VAL 49 2.954 -0.198 0.567 372 3HG1 VAL 49 3HG1 VAL 49 4.472 -0.008 1.445 373 1HG2 VAL 49 1HG2 VAL 49 1.684 -0.682 2.797 374 2HG2 VAL 49 2HG2 VAL 49 2.042 0.374 4.164 375 3HG2 VAL 49 3HG2 VAL 49 3.306 -0.651 3.486 376 H VAL 50 H VAL 50 2.977 4.564 2.756 377 HA VAL 50 HA VAL 50 1.234 4.514 5.129 378 HB VAL 50 HB VAL 50 2.716 7.014 4.437 379 1HG1 VAL 50 1HG1 VAL 50 1.064 7.276 6.098 380 2HG1 VAL 50 2HG1 VAL 50 2.604 7.219 6.956 381 3HG1 VAL 50 3HG1 VAL 50 1.556 5.800 6.929 382 1HG2 VAL 50 1HG2 VAL 50 3.870 4.731 6.039 383 2HG2 VAL 50 2HG2 VAL 50 4.543 6.359 5.959 384 3HG2 VAL 50 3HG2 VAL 50 4.484 5.357 4.508 385 H GLY 51 H GLY 51 -0.795 5.044 4.647 386 1HA GLY 51 2HA GLY 51 -1.255 7.055 2.550 387 2HA GLY 51 1HA GLY 51 -2.106 5.522 2.478 388 H ARG 52 H ARG 52 -3.130 8.265 2.717 389 HA ARG 52 HA ARG 52 -4.740 7.852 5.142 390 1HB ARG 52 2HB ARG 52 -4.746 10.268 5.564 391 2HB ARG 52 1HB ARG 52 -3.116 9.611 5.633 392 1HG ARG 52 2HG ARG 52 -2.420 10.780 3.835 393 2HG ARG 52 1HG ARG 52 -3.979 10.661 3.016 394 1HD ARG 52 2HD ARG 52 -4.127 12.849 3.536 395 2HD ARG 52 1HD ARG 52 -4.648 12.233 5.104 396 HE ARG 52 HE ARG 52 -2.716 13.039 6.013 397 1HH1 ARG 52 2HH1 ARG 52 -2.317 12.843 2.552 398 2HH1 ARG 52 1HH1 ARG 52 -0.780 13.640 2.558 399 1HH2 ARG 52 1HH2 ARG 52 -0.694 14.089 6.023 400 2HH2 ARG 52 2HH2 ARG 52 0.141 14.349 4.528 401 H LYS 53 H LYS 53 -6.893 8.490 5.018 402 HA LYS 53 HA LYS 53 -8.189 8.191 2.589 403 1HB LYS 53 2HB LYS 53 -9.005 9.316 5.237 404 2HB LYS 53 1HB LYS 53 -10.098 9.468 3.868 405 1HG LYS 53 2HG LYS 53 -8.971 6.869 4.886 406 2HG LYS 53 1HG LYS 53 -10.572 7.503 5.271 407 1HD LYS 53 2HD LYS 53 -10.963 7.579 2.752 408 2HD LYS 53 1HD LYS 53 -9.516 6.581 2.612 409 1HE LYS 53 2HE LYS 53 -11.267 5.505 4.619 410 2HE LYS 53 1HE LYS 53 -12.150 5.739 3.110 411 1HZ LYS 53 1HZ LYS 53 -11.024 4.102 2.113 412 2HZ LYS 53 2HZ LYS 53 -10.620 3.602 3.677 413 3HZ LYS 53 3HZ LYS 53 -9.539 4.551 2.789 414 H MET 54 H MET 54 -9.455 9.706 1.338 415 HA MET 54 HA MET 54 -8.095 12.297 1.101 416 1HB MET 54 2HB MET 54 -9.920 11.058 -0.951 417 2HB MET 54 1HB MET 54 -8.734 12.335 -1.184 418 1HG MET 54 2HG MET 54 -7.034 10.506 -0.448 419 2HG MET 54 1HG MET 54 -8.325 9.396 -0.905 420 1HE MET 54 1HE MET 54 -5.270 9.992 -3.644 421 2HE MET 54 2HE MET 54 -6.001 8.626 -2.802 422 3HE MET 54 3HE MET 54 -5.306 9.959 -1.881 423 H GLN 55 H GLN 55 -9.856 12.189 3.159 424 HA GLN 55 HA GLN 55 -12.076 13.849 2.171 425 1HB GLN 55 2HB GLN 55 -13.301 12.881 4.277 426 2HB GLN 55 1HB GLN 55 -13.281 11.975 2.771 427 1HG GLN 55 2HG GLN 55 -11.811 10.402 3.578 428 2HG GLN 55 1HG GLN 55 -11.158 11.486 4.805 429 1HE2 GLN 55 1HE2 GLN 55 -12.188 8.762 5.051 430 2HE2 GLN 55 2HE2 GLN 55 -13.462 8.838 6.214 431 HA PRO 56 HA PRO 56 -11.136 17.064 5.008 432 1HB PRO 56 2HB PRO 56 -13.758 16.588 6.348 433 2HB PRO 56 1HB PRO 56 -13.075 18.090 5.716 434 1HG PRO 56 2HG PRO 56 -14.986 16.809 4.381 435 2HG PRO 56 1HG PRO 56 -13.636 17.578 3.523 436 1HD PRO 56 2HD PRO 56 -14.130 14.690 4.078 437 2HD PRO 56 1HD PRO 56 -13.381 15.457 2.665 438 H ASP 57 H ASP 57 -12.307 14.036 6.304 439 HA ASP 57 HA ASP 57 -11.613 14.525 9.017 440 1HB ASP 57 2HB ASP 57 -12.328 12.109 7.406 441 2HB ASP 57 1HB ASP 57 -11.613 11.885 8.999 442 H GLN 58 H GLN 58 -9.964 12.897 6.333 443 HA GLN 58 HA GLN 58 -7.790 12.322 6.001 444 1HB GLN 58 2HB GLN 58 -7.386 14.461 8.092 445 2HB GLN 58 1HB GLN 58 -6.066 13.688 7.225 446 1HG GLN 58 2HG GLN 58 -8.097 14.695 5.427 447 2HG GLN 58 1HG GLN 58 -7.440 15.960 6.465 448 1HE2 GLN 58 1HE2 GLN 58 -7.124 14.703 3.543 449 2HE2 GLN 58 2HE2 GLN 58 -5.433 14.926 3.266 450 H GLN 59 H GLN 59 -7.672 10.233 6.638 451 HA GLN 59 HA GLN 59 -6.561 9.735 9.296 452 1HB GLN 59 2HB GLN 59 -8.068 7.878 9.717 453 2HB GLN 59 1HB GLN 59 -8.992 9.354 9.479 454 1HG GLN 59 2HG GLN 59 -9.316 8.627 7.089 455 2HG GLN 59 1HG GLN 59 -8.644 7.068 7.566 456 1HE2 GLN 59 1HE2 GLN 59 -9.714 6.142 9.587 457 2HE2 GLN 59 2HE2 GLN 59 -11.439 6.218 9.633 458 H VAL 60 H VAL 60 -5.042 8.138 9.339 459 HA VAL 60 HA VAL 60 -3.988 7.250 6.851 460 HB VAL 60 HB VAL 60 -2.291 6.109 8.108 461 1HG1 VAL 60 1HG1 VAL 60 -2.594 8.396 9.925 462 2HG1 VAL 60 2HG1 VAL 60 -2.712 8.782 8.208 463 3HG1 VAL 60 3HG1 VAL 60 -1.274 7.973 8.835 464 1HG2 VAL 60 1HG2 VAL 60 -4.343 6.088 10.208 465 2HG2 VAL 60 2HG2 VAL 60 -2.710 6.440 10.774 466 3HG2 VAL 60 3HG2 VAL 60 -3.033 4.951 9.885 467 H VAL 61 H VAL 61 -4.576 5.550 5.685 468 HA VAL 61 HA VAL 61 -6.297 3.527 6.894 469 HB VAL 61 HB VAL 61 -6.936 2.872 4.712 470 1HG1 VAL 61 1HG1 VAL 61 -8.123 4.703 4.191 471 2HG1 VAL 61 2HG1 VAL 61 -6.685 5.705 3.998 472 3HG1 VAL 61 3HG1 VAL 61 -7.344 5.405 5.608 473 1HG2 VAL 61 1HG2 VAL 61 -4.699 2.784 3.710 474 2HG2 VAL 61 2HG2 VAL 61 -4.674 4.544 3.616 475 3HG2 VAL 61 3HG2 VAL 61 -5.846 3.626 2.670 476 H ILE 62 H ILE 62 -3.116 3.953 5.568 477 HA ILE 62 HA ILE 62 -2.437 1.222 6.384 478 HB ILE 62 HB ILE 62 -2.766 1.204 3.924 479 1HG1 ILE 62 2HG1 ILE 62 0.172 0.920 4.520 480 2HG1 ILE 62 1HG1 ILE 62 -1.012 -0.182 5.212 481 1HG2 ILE 62 1HG2 ILE 62 -1.478 2.479 2.444 482 2HG2 ILE 62 2HG2 ILE 62 -0.340 2.956 3.704 483 3HG2 ILE 62 3HG2 ILE 62 -1.975 3.623 3.690 484 1HD1 ILE 62 1HD1 ILE 62 -0.104 0.114 2.404 485 2HD1 ILE 62 2HD1 ILE 62 -1.759 -0.417 2.703 486 3HD1 ILE 62 3HD1 ILE 62 -0.406 -1.342 3.351 487 H ASN 63 H ASN 63 -0.481 1.029 7.356 488 HA ASN 63 HA ASN 63 1.629 2.914 7.036 489 1HB ASN 63 2HB ASN 63 -0.184 3.985 8.624 490 2HB ASN 63 1HB ASN 63 0.549 2.931 9.826 491 1HD2 ASN 63 1HD2 ASN 63 0.497 5.896 9.440 492 2HD2 ASN 63 2HD2 ASN 63 2.155 6.374 9.515 493 H CYS 64 H CYS 64 2.083 0.502 6.550 494 HA CYS 64 HA CYS 64 3.299 -0.675 8.961 495 1HB CYS 64 2HB CYS 64 1.319 -1.977 8.256 496 2HB CYS 64 1HB CYS 64 2.044 -2.198 6.667 497 HG CYS 64 HG CYS 64 2.518 -3.970 8.974 498 H ALA 65 H ALA 65 5.388 -1.282 8.799 499 HA ALA 65 HA ALA 65 6.875 -0.440 6.506 500 1HB ALA 65 1HB ALA 65 7.496 -1.437 9.204 501 2HB ALA 65 2HB ALA 65 8.202 -0.101 8.294 502 3HB ALA 65 3HB ALA 65 8.709 -1.759 7.965 503 H ILE 66 H ILE 66 7.778 -1.608 4.900 504 HA ILE 66 HA ILE 66 7.233 -4.503 4.902 505 HB ILE 66 HB ILE 66 7.713 -4.109 2.317 506 1HG1 ILE 66 2HG1 ILE 66 6.263 -1.557 2.942 507 2HG1 ILE 66 1HG1 ILE 66 8.025 -1.591 2.881 508 1HG2 ILE 66 1HG2 ILE 66 5.538 -4.720 3.823 509 2HG2 ILE 66 2HG2 ILE 66 5.552 -4.653 2.060 510 3HG2 ILE 66 3HG2 ILE 66 4.985 -3.267 2.991 511 1HD1 ILE 66 1HD1 ILE 66 7.831 -1.242 0.701 512 2HD1 ILE 66 2HD1 ILE 66 6.098 -1.576 0.730 513 3HD1 ILE 66 3HD1 ILE 66 7.252 -2.906 0.578 514 H VAL 67 H VAL 67 8.799 -5.748 3.496 515 HA VAL 67 HA VAL 67 11.470 -4.679 3.289 516 HB VAL 67 HB VAL 67 12.474 -6.475 4.711 517 1HG1 VAL 67 1HG1 VAL 67 12.155 -5.320 6.799 518 2HG1 VAL 67 2HG1 VAL 67 10.643 -4.616 6.225 519 3HG1 VAL 67 3HG1 VAL 67 12.174 -4.137 5.490 520 1HG2 VAL 67 1HG2 VAL 67 9.980 -6.821 6.234 521 2HG2 VAL 67 2HG2 VAL 67 11.261 -7.978 5.872 522 3HG2 VAL 67 3HG2 VAL 67 10.026 -7.623 4.664 523 H ARG 68 H ARG 68 12.952 -6.877 2.907 524 HA ARG 68 HA ARG 68 12.226 -7.784 0.373 525 1HB ARG 68 2HB ARG 68 14.501 -7.940 0.862 526 2HB ARG 68 1HB ARG 68 14.223 -8.693 2.424 527 1HG ARG 68 2HG ARG 68 13.230 -10.443 0.411 528 2HG ARG 68 1HG ARG 68 14.846 -9.919 -0.053 529 1HD ARG 68 2HD ARG 68 15.779 -10.694 1.988 530 2HD ARG 68 1HD ARG 68 14.185 -10.955 2.693 531 HE ARG 68 HE ARG 68 15.597 -12.699 0.869 532 1HH1 ARG 68 2HH1 ARG 68 12.518 -11.872 2.295 533 2HH1 ARG 68 1HH1 ARG 68 11.826 -13.431 2.003 534 1HH2 ARG 68 1HH2 ARG 68 14.685 -14.749 0.487 535 2HH2 ARG 68 2HH2 ARG 68 13.055 -15.065 0.977 536 H GLY 69 H GLY 69 10.053 -8.563 0.486 537 1HA GLY 69 2HA GLY 69 9.774 -11.323 0.800 538 2HA GLY 69 1HA GLY 69 9.218 -10.575 2.286 539 H VAL 70 H VAL 70 8.153 -8.185 0.852 540 HA VAL 70 HA VAL 70 5.608 -9.380 0.184 541 HB VAL 70 HB VAL 70 6.561 -6.596 0.689 542 1HG1 VAL 70 1HG1 VAL 70 4.320 -7.328 -1.102 543 2HG1 VAL 70 2HG1 VAL 70 5.352 -5.901 -1.105 544 3HG1 VAL 70 3HG1 VAL 70 4.040 -6.040 0.068 545 1HG2 VAL 70 1HG2 VAL 70 5.403 -8.411 2.259 546 2HG2 VAL 70 2HG2 VAL 70 3.953 -7.646 1.600 547 3HG2 VAL 70 3HG2 VAL 70 5.152 -6.676 2.461 548 H LYS 71 H LYS 71 4.734 -9.623 -1.773 549 HA LYS 71 HA LYS 71 6.217 -8.567 -4.090 550 1HB LYS 71 2HB LYS 71 6.447 -11.018 -3.846 551 2HB LYS 71 1HB LYS 71 4.697 -11.175 -3.917 552 1HG LYS 71 2HG LYS 71 4.964 -11.479 -6.102 553 2HG LYS 71 1HG LYS 71 5.274 -9.744 -6.190 554 1HD LYS 71 2HD LYS 71 7.526 -10.021 -6.430 555 2HD LYS 71 1HD LYS 71 7.553 -11.510 -5.484 556 1HE LYS 71 2HE LYS 71 7.833 -12.492 -7.489 557 2HE LYS 71 1HE LYS 71 6.084 -12.297 -7.615 558 1HZ LYS 71 1HZ LYS 71 7.694 -10.033 -8.474 559 2HZ LYS 71 2HZ LYS 71 6.288 -10.680 -9.153 560 3HZ LYS 71 3HZ LYS 71 7.783 -11.414 -9.447 561 H TYR 72 H TYR 72 5.088 -7.056 -5.100 562 HA TYR 72 HA TYR 72 2.341 -6.569 -4.677 563 1HB TYR 72 2HB TYR 72 4.516 -5.419 -6.265 564 2HB TYR 72 1HB TYR 72 2.951 -5.291 -7.055 565 HD1 TYR 72 HD1 TYR 72 2.742 -2.909 -6.893 566 HD2 TYR 72 HD2 TYR 72 3.411 -5.251 -3.402 567 HE1 TYR 72 HE1 TYR 72 2.212 -0.959 -5.492 568 HE2 TYR 72 HE2 TYR 72 2.884 -3.314 -1.991 569 HH TYR 72 HH TYR 72 2.857 -0.879 -2.146 570 H ASN 73 H ASN 73 0.849 -8.020 -5.262 571 HA ASN 73 HA ASN 73 1.090 -9.360 -7.858 572 1HB ASN 73 2HB ASN 73 0.453 -10.393 -5.421 573 2HB ASN 73 1HB ASN 73 -1.151 -10.087 -6.079 574 1HD2 ASN 73 1HD2 ASN 73 -1.873 -12.021 -6.654 575 2HD2 ASN 73 2HD2 ASN 73 -1.052 -13.129 -7.694 576 H GLN 74 H GLN 74 0.365 -7.896 -9.336 577 HA GLN 74 HA GLN 74 -1.753 -6.110 -9.034 578 1HB GLN 74 2HB GLN 74 0.011 -6.172 -10.869 579 2HB GLN 74 1HB GLN 74 -0.980 -7.396 -11.650 580 1HG GLN 74 2HG GLN 74 -2.645 -5.195 -10.975 581 2HG GLN 74 1HG GLN 74 -1.208 -4.582 -11.792 582 1HE2 GLN 74 1HE2 GLN 74 -3.644 -7.141 -12.062 583 2HE2 GLN 74 2HE2 GLN 74 -3.762 -7.087 -13.784 584 H ALA 75 H ALA 75 -3.539 -7.075 -8.094 585 HA ALA 75 HA ALA 75 -4.756 -9.459 -8.888 586 1HB ALA 75 1HB ALA 75 -5.190 -8.119 -6.787 587 2HB ALA 75 2HB ALA 75 -6.610 -8.808 -7.574 588 3HB ALA 75 3HB ALA 75 -6.240 -7.095 -7.766 589 H THR 76 H THR 76 -5.162 -6.163 -10.060 590 HA THR 76 HA THR 76 -6.398 -7.170 -12.483 591 HB THR 76 HB THR 76 -8.445 -6.115 -12.317 592 HG1 THR 76 HG1 THR 76 -8.828 -4.344 -10.953 593 1HG2 THR 76 1HG2 THR 76 -7.794 -6.685 -9.439 594 2HG2 THR 76 2HG2 THR 76 -8.517 -7.793 -10.605 595 3HG2 THR 76 3HG2 THR 76 -9.410 -6.369 -10.071 596 HA PRO 77 HA PRO 77 -4.551 -3.833 -14.712 597 1HB PRO 77 2HB PRO 77 -7.168 -2.414 -14.961 598 2HB PRO 77 1HB PRO 77 -5.984 -2.818 -16.211 599 1HG PRO 77 2HG PRO 77 -8.219 -4.233 -15.977 600 2HG PRO 77 1HG PRO 77 -6.678 -5.033 -16.338 601 1HD PRO 77 2HD PRO 77 -8.208 -4.928 -13.779 602 2HD PRO 77 1HD PRO 77 -7.229 -6.246 -14.456 603 H ASN 78 H ASN 78 -6.750 -2.970 -12.139 604 HA ASN 78 HA ASN 78 -4.951 -0.789 -11.377 605 1HB ASN 78 2HB ASN 78 -6.941 0.602 -10.759 606 2HB ASN 78 1HB ASN 78 -6.759 0.347 -12.491 607 1HD2 ASN 78 1HD2 ASN 78 -8.906 0.357 -10.006 608 2HD2 ASN 78 2HD2 ASN 78 -10.152 -0.620 -10.697 609 H PHE 79 H PHE 79 -4.409 -2.819 -10.039 610 HA PHE 79 HA PHE 79 -5.424 -2.399 -7.409 611 1HB PHE 79 2HB PHE 79 -7.063 -4.009 -8.766 612 2HB PHE 79 1HB PHE 79 -5.882 -5.211 -8.261 613 HD1 PHE 79 HD1 PHE 79 -5.413 -5.493 -5.806 614 HD2 PHE 79 HD2 PHE 79 -8.674 -3.185 -7.277 615 HE1 PHE 79 HE1 PHE 79 -6.506 -5.638 -3.604 616 HE2 PHE 79 HE2 PHE 79 -9.769 -3.326 -5.078 617 HZ PHE 79 HZ PHE 79 -8.685 -4.552 -3.240 618 H HIS 80 H HIS 80 -3.564 -2.427 -6.321 619 HA HIS 80 HA HIS 80 -1.595 -4.513 -6.967 620 1HB HIS 80 2HB HIS 80 -1.315 -1.673 -6.246 621 2HB HIS 80 1HB HIS 80 -0.170 -2.761 -5.475 622 HD1 HIS 80 HD1 HIS 80 -0.250 -0.671 -8.246 623 HD2 HIS 80 HD2 HIS 80 0.818 -4.656 -7.760 624 HE1 HIS 80 HE1 HIS 80 1.198 -1.223 -10.224 625 HE2 HIS 80 HE2 HIS 80 1.760 -3.663 -9.955 626 H GLN 81 H GLN 81 -2.056 -6.163 -5.654 627 HA GLN 81 HA GLN 81 -2.453 -5.610 -2.794 628 1HB GLN 81 2HB GLN 81 -4.304 -6.828 -3.481 629 2HB GLN 81 1HB GLN 81 -3.383 -7.773 -4.640 630 1HG GLN 81 2HG GLN 81 -2.271 -8.820 -2.553 631 2HG GLN 81 1HG GLN 81 -3.651 -8.151 -1.686 632 1HE2 GLN 81 1HE2 GLN 81 -2.566 -10.484 -4.000 633 2HE2 GLN 81 2HE2 GLN 81 -4.027 -11.401 -4.074 634 H TRP 82 H TRP 82 -1.337 -6.830 -1.237 635 HA TRP 82 HA TRP 82 0.767 -8.630 -2.100 636 1HB TRP 82 2HB TRP 82 2.541 -7.434 -0.889 637 2HB TRP 82 1HB TRP 82 1.941 -6.513 -2.252 638 HD1 TRP 82 HD1 TRP 82 2.266 -6.423 1.514 639 HE1 TRP 82 HE1 TRP 82 1.546 -4.108 2.374 640 HE3 TRP 82 HE3 TRP 82 0.267 -4.539 -2.800 641 HZ2 TRP 82 HZ2 TRP 82 0.298 -1.791 1.360 642 HZ3 TRP 82 HZ3 TRP 82 -0.668 -2.263 -2.768 643 HH2 TRP 82 HH2 TRP 82 -0.652 -0.920 -0.728 644 H ARG 83 H ARG 83 1.592 -9.943 -0.497 645 HA ARG 83 HA ARG 83 0.130 -9.876 2.060 646 1HB ARG 83 2HB ARG 83 -0.138 -11.871 0.402 647 2HB ARG 83 1HB ARG 83 1.463 -12.335 0.958 648 1HG ARG 83 2HG ARG 83 0.082 -11.861 3.299 649 2HG ARG 83 1HG ARG 83 -1.116 -12.626 2.252 650 1HD ARG 83 2HD ARG 83 -0.108 -14.442 3.278 651 2HD ARG 83 1HD ARG 83 0.765 -14.330 1.750 652 HE ARG 83 HE ARG 83 2.022 -12.872 3.874 653 1HH1 ARG 83 2HH1 ARG 83 1.683 -16.019 2.402 654 2HH1 ARG 83 1HH1 ARG 83 3.205 -16.596 2.990 655 1HH2 ARG 83 1HH2 ARG 83 4.027 -13.630 4.647 656 2HH2 ARG 83 2HH2 ARG 83 4.537 -15.241 4.264 657 H ASP 84 H ASP 84 1.399 -9.100 3.627 658 HA ASP 84 HA ASP 84 4.281 -9.401 3.390 659 1HB ASP 84 2HB ASP 84 3.693 -7.189 3.876 660 2HB ASP 84 1HB ASP 84 2.503 -7.661 5.068 661 H ALA 85 H ALA 85 2.693 -9.207 6.519 662 HA ALA 85 HA ALA 85 4.194 -11.501 7.420 663 1HB ALA 85 1HB ALA 85 3.413 -9.221 8.652 664 2HB ALA 85 2HB ALA 85 3.895 -10.691 9.498 665 3HB ALA 85 3HB ALA 85 2.185 -10.348 9.232 666 H ARG 86 H ARG 86 0.765 -10.678 7.864 667 HA ARG 86 HA ARG 86 0.004 -13.352 6.972 668 1HB ARG 86 2HB ARG 86 0.310 -13.628 9.373 669 2HB ARG 86 1HB ARG 86 -0.728 -12.244 9.688 670 1HG ARG 86 2HG ARG 86 -2.639 -13.406 9.291 671 2HG ARG 86 1HG ARG 86 -1.880 -14.462 8.099 672 1HD ARG 86 2HD ARG 86 -2.487 -15.695 10.118 673 2HD ARG 86 1HD ARG 86 -0.741 -15.674 9.881 674 HE ARG 86 HE ARG 86 -1.663 -13.566 11.587 675 1HH1 ARG 86 2HH1 ARG 86 -0.749 -16.932 11.480 676 2HH1 ARG 86 1HH1 ARG 86 -0.314 -16.996 13.155 677 1HH2 ARG 86 1HH2 ARG 86 -1.092 -13.648 13.791 678 2HH2 ARG 86 2HH2 ARG 86 -0.510 -15.132 14.468 679 H GLN 87 H GLN 87 -0.372 -10.260 6.477 680 HA GLN 87 HA GLN 87 -3.265 -10.475 6.004 681 1HB GLN 87 2HB GLN 87 -2.381 -7.726 6.095 682 2HB GLN 87 1HB GLN 87 -3.666 -8.512 6.994 683 1HG GLN 87 2HG GLN 87 -0.935 -9.055 7.950 684 2HG GLN 87 1HG GLN 87 -1.491 -7.394 8.108 685 1HE2 GLN 87 1HE2 GLN 87 -4.071 -7.589 8.690 686 2HE2 GLN 87 2HE2 GLN 87 -4.319 -8.449 10.164 687 H VAL 88 H VAL 88 -4.047 -9.219 4.198 688 HA VAL 88 HA VAL 88 -2.002 -8.872 2.107 689 HB VAL 88 HB VAL 88 -4.813 -9.503 1.338 690 1HG1 VAL 88 1HG1 VAL 88 -2.714 -8.920 -0.141 691 2HG1 VAL 88 2HG1 VAL 88 -3.904 -10.112 -0.666 692 3HG1 VAL 88 3HG1 VAL 88 -2.386 -10.643 0.057 693 1HG2 VAL 88 1HG2 VAL 88 -4.304 -11.927 1.375 694 2HG2 VAL 88 2HG2 VAL 88 -4.387 -11.218 2.988 695 3HG2 VAL 88 3HG2 VAL 88 -2.820 -11.573 2.260 696 H TRP 89 H TRP 89 -1.777 -6.795 1.667 697 HA TRP 89 HA TRP 89 -3.979 -4.971 2.198 698 1HB TRP 89 2HB TRP 89 -1.060 -4.547 1.601 699 2HB TRP 89 1HB TRP 89 -2.205 -3.218 1.736 700 HD1 TRP 89 HD1 TRP 89 -0.723 -6.076 3.885 701 HE1 TRP 89 HE1 TRP 89 -0.831 -5.354 6.356 702 HE3 TRP 89 HE3 TRP 89 -3.253 -1.663 3.339 703 HZ2 TRP 89 HZ2 TRP 89 -1.847 -3.198 7.869 704 HZ3 TRP 89 HZ3 TRP 89 -3.749 -0.332 5.346 705 HH2 TRP 89 HH2 TRP 89 -3.062 -1.085 7.564 706 H GLY 90 H GLY 90 -5.397 -5.208 0.532 707 1HA GLY 90 2HA GLY 90 -4.485 -5.094 -2.217 708 2HA GLY 90 1HA GLY 90 -6.133 -5.301 -1.675 709 H LEU 91 H LEU 91 -4.112 -3.265 -3.240 710 HA LEU 91 HA LEU 91 -5.493 -0.840 -2.329 711 1HB LEU 91 2HB LEU 91 -2.831 -1.407 -3.419 712 2HB LEU 91 1HB LEU 91 -3.598 0.002 -4.119 713 HG LEU 91 HG LEU 91 -2.153 0.575 -2.222 714 1HD1 LEU 91 1HD1 LEU 91 -4.568 1.593 -2.812 715 2HD1 LEU 91 2HD1 LEU 91 -3.515 2.238 -1.555 716 3HD1 LEU 91 3HD1 LEU 91 -4.826 1.142 -1.130 717 1HD2 LEU 91 1HD2 LEU 91 -4.118 -0.834 -0.445 718 2HD2 LEU 91 2HD2 LEU 91 -2.540 -0.167 -0.031 719 3HD2 LEU 91 3HD2 LEU 91 -2.652 -1.620 -1.026 720 H ASN 92 H ASN 92 -7.289 -0.418 -3.453 721 HA ASN 92 HA ASN 92 -7.409 -1.156 -6.282 722 1HB ASN 92 2HB ASN 92 -9.320 -1.474 -4.506 723 2HB ASN 92 1HB ASN 92 -9.657 0.218 -4.856 724 1HD2 ASN 92 1HD2 ASN 92 -8.876 0.083 -7.644 725 2HD2 ASN 92 2HD2 ASN 92 -10.114 -0.808 -8.452 726 H PHE 93 H PHE 93 -6.447 0.248 -7.560 727 HA PHE 93 HA PHE 93 -6.208 3.024 -6.983 728 1HB PHE 93 2HB PHE 93 -5.653 1.516 -9.537 729 2HB PHE 93 1HB PHE 93 -5.120 3.149 -9.167 730 HD1 PHE 93 HD1 PHE 93 -3.600 3.460 -7.130 731 HD2 PHE 93 HD2 PHE 93 -4.355 -0.309 -8.943 732 HE1 PHE 93 HE1 PHE 93 -1.593 2.551 -6.059 733 HE2 PHE 93 HE2 PHE 93 -2.338 -1.227 -7.883 734 HZ PHE 93 HZ PHE 93 -0.953 0.207 -6.440 735 H GLY 94 H GLY 94 -6.891 4.759 -8.371 736 1HA GLY 94 2HA GLY 94 -9.682 4.398 -9.168 737 2HA GLY 94 1HA GLY 94 -8.854 5.932 -8.948 738 H SER 95 H SER 95 -6.561 4.991 -10.594 739 HA SER 95 HA SER 95 -7.754 4.730 -13.242 740 1HB SER 95 2HB SER 95 -7.316 7.232 -12.447 741 2HB SER 95 1HB SER 95 -5.671 6.846 -12.953 742 HG SER 95 HG SER 95 -7.251 7.742 -14.569 743 H LYS 96 H LYS 96 -6.115 4.303 -14.923 744 HA LYS 96 HA LYS 96 -4.350 2.275 -14.154 745 1HB LYS 96 2HB LYS 96 -3.444 2.468 -16.465 746 2HB LYS 96 1HB LYS 96 -5.198 2.358 -16.404 747 1HG LYS 96 2HG LYS 96 -5.014 4.990 -16.431 748 2HG LYS 96 1HG LYS 96 -3.461 4.632 -17.191 749 1HD LYS 96 2HD LYS 96 -5.129 4.914 -18.907 750 2HD LYS 96 1HD LYS 96 -4.650 3.217 -18.844 751 1HE LYS 96 2HE LYS 96 -6.771 3.398 -17.063 752 2HE LYS 96 1HE LYS 96 -7.246 4.430 -18.411 753 1HZ LYS 96 1HZ LYS 96 -7.142 2.666 -19.899 754 2HZ LYS 96 2HZ LYS 96 -7.839 1.969 -18.525 755 3HZ LYS 96 3HZ LYS 96 -6.204 1.705 -18.868 756 H GLU 97 H GLU 97 -3.902 5.719 -14.417 757 HA GLU 97 HA GLU 97 -1.074 5.739 -14.509 758 1HB GLU 97 2HB GLU 97 -3.154 7.767 -13.750 759 2HB GLU 97 1HB GLU 97 -1.445 8.112 -13.516 760 1HG GLU 97 2HG GLU 97 -2.403 7.161 -16.173 761 2HG GLU 97 1HG GLU 97 -2.651 8.842 -15.701 762 H ASP 98 H ASP 98 -3.307 6.310 -11.782 763 HA ASP 98 HA ASP 98 -1.484 6.589 -9.746 764 1HB ASP 98 2HB ASP 98 -4.054 5.016 -9.491 765 2HB ASP 98 1HB ASP 98 -3.222 5.912 -8.225 766 H ALA 99 H ALA 99 -3.053 3.530 -10.672 767 HA ALA 99 HA ALA 99 -1.705 1.772 -9.075 768 1HB ALA 99 1HB ALA 99 -3.582 1.339 -10.749 769 2HB ALA 99 2HB ALA 99 -2.383 0.065 -10.523 770 3HB ALA 99 3HB ALA 99 -2.300 1.113 -11.939 771 H ALA 100 H ALA 100 -0.555 3.251 -12.061 772 HA ALA 100 HA ALA 100 1.779 1.615 -12.271 773 1HB ALA 100 1HB ALA 100 1.785 4.279 -13.544 774 2HB ALA 100 2HB ALA 100 0.486 3.183 -14.018 775 3HB ALA 100 3HB ALA 100 2.169 2.694 -14.217 776 H GLN 101 H GLN 101 1.006 4.618 -10.668 777 HA GLN 101 HA GLN 101 3.728 5.382 -10.202 778 1HB GLN 101 2HB GLN 101 1.757 6.958 -10.298 779 2HB GLN 101 1HB GLN 101 1.282 6.345 -8.720 780 1HG GLN 101 2HG GLN 101 2.463 8.401 -8.429 781 2HG GLN 101 1HG GLN 101 3.464 7.082 -7.822 782 1HE2 GLN 101 1HE2 GLN 101 5.160 6.289 -9.246 783 2HE2 GLN 101 2HE2 GLN 101 5.941 7.398 -10.317 784 H PHE 102 H PHE 102 1.147 4.033 -8.157 785 HA PHE 102 HA PHE 102 2.489 3.878 -5.758 786 1HB PHE 102 2HB PHE 102 0.052 3.259 -6.362 787 2HB PHE 102 1HB PHE 102 0.682 1.651 -6.657 788 HD1 PHE 102 HD1 PHE 102 1.435 4.181 -4.037 789 HD2 PHE 102 HD2 PHE 102 0.003 0.263 -4.924 790 HE1 PHE 102 HE1 PHE 102 1.263 3.701 -1.632 791 HE2 PHE 102 HE2 PHE 102 -0.170 -0.214 -2.521 792 HZ PHE 102 HZ PHE 102 0.459 1.502 -0.871 793 H ALA 103 H ALA 103 2.345 1.341 -8.261 794 HA ALA 103 HA ALA 103 4.098 -0.447 -6.983 795 1HB ALA 103 1HB ALA 103 3.276 -1.669 -8.648 796 2HB ALA 103 2HB ALA 103 4.419 -0.855 -9.717 797 3HB ALA 103 3HB ALA 103 2.780 -0.230 -9.537 798 H ALA 104 H ALA 104 4.636 2.296 -9.078 799 HA ALA 104 HA ALA 104 7.187 1.975 -9.982 800 1HB ALA 104 1HB ALA 104 5.604 3.961 -10.275 801 2HB ALA 104 2HB ALA 104 7.332 4.306 -10.197 802 3HB ALA 104 3HB ALA 104 6.312 4.588 -8.785 803 H GLY 105 H GLY 105 6.507 3.789 -6.997 804 1HA GLY 105 2HA GLY 105 9.178 3.675 -6.060 805 2HA GLY 105 1HA GLY 105 7.771 4.072 -5.087 806 H MET 106 H MET 106 6.333 1.713 -5.404 807 HA MET 106 HA MET 106 7.239 0.157 -3.323 808 1HB MET 106 2HB MET 106 4.961 0.026 -4.190 809 2HB MET 106 1HB MET 106 5.556 -0.697 -5.681 810 1HG MET 106 2HG MET 106 4.732 -2.466 -4.386 811 2HG MET 106 1HG MET 106 6.484 -2.555 -4.274 812 1HE MET 106 1HE MET 106 4.888 -4.077 -1.482 813 2HE MET 106 2HE MET 106 6.559 -3.698 -1.058 814 3HE MET 106 3HE MET 106 6.147 -4.130 -2.719 815 H ALA 107 H ALA 107 7.442 -0.658 -6.773 816 HA ALA 107 HA ALA 107 8.927 -2.951 -6.668 817 1HB ALA 107 1HB ALA 107 8.008 -1.709 -8.717 818 2HB ALA 107 2HB ALA 107 9.526 -2.587 -8.905 819 3HB ALA 107 3HB ALA 107 9.539 -0.833 -8.709 820 H SER 108 H SER 108 10.009 0.377 -6.345 821 HA SER 108 HA SER 108 12.791 -0.134 -6.341 822 1HB SER 108 2HB SER 108 11.474 2.131 -6.493 823 2HB SER 108 1HB SER 108 11.582 2.096 -4.733 824 HG SER 108 HG SER 108 13.566 2.474 -6.634 825 H ALA 109 H ALA 109 10.319 -0.127 -3.823 826 HA ALA 109 HA ALA 109 12.069 -0.388 -1.609 827 1HB ALA 109 1HB ALA 109 10.039 0.158 -0.787 828 2HB ALA 109 2HB ALA 109 9.817 -1.592 -0.719 829 3HB ALA 109 3HB ALA 109 9.175 -0.671 -2.080 830 H LEU 110 H LEU 110 10.162 -2.804 -3.383 831 HA LEU 110 HA LEU 110 11.210 -5.036 -2.000 832 1HB LEU 110 2HB LEU 110 10.142 -5.144 -4.805 833 2HB LEU 110 1HB LEU 110 10.055 -6.371 -3.557 834 HG LEU 110 HG LEU 110 8.591 -3.745 -3.349 835 1HD1 LEU 110 1HD1 LEU 110 7.020 -6.122 -3.994 836 2HD1 LEU 110 2HD1 LEU 110 8.080 -5.583 -5.296 837 3HD1 LEU 110 3HD1 LEU 110 6.895 -4.473 -4.609 838 1HD2 LEU 110 1HD2 LEU 110 8.358 -4.515 -1.262 839 2HD2 LEU 110 2HD2 LEU 110 8.864 -6.146 -1.702 840 3HD2 LEU 110 3HD2 LEU 110 7.196 -5.638 -1.969 841 H GLU 111 H GLU 111 12.544 -3.026 -4.385 842 HA GLU 111 HA GLU 111 14.416 -5.069 -5.316 843 1HB GLU 111 2HB GLU 111 13.598 -2.363 -6.276 844 2HB GLU 111 1HB GLU 111 15.158 -3.015 -6.751 845 1HG GLU 111 2HG GLU 111 13.839 -5.093 -7.458 846 2HG GLU 111 1HG GLU 111 12.426 -4.047 -7.365 847 H ALA 112 H ALA 112 14.217 -2.343 -3.228 848 HA ALA 112 HA ALA 112 17.134 -2.130 -3.041 849 1HB ALA 112 1HB ALA 112 16.339 -0.264 -1.330 850 2HB ALA 112 2HB ALA 112 14.863 -0.366 -2.292 851 3HB ALA 112 3HB ALA 112 16.397 0.030 -3.068 852 H LEU 113 H LEU 113 14.741 -3.947 -1.791 853 HA LEU 113 HA LEU 113 16.034 -4.148 0.845 854 1HB LEU 113 2HB LEU 113 13.311 -3.845 0.071 855 2HB LEU 113 1HB LEU 113 13.489 -5.413 0.807 856 HG LEU 113 HG LEU 113 12.825 -3.451 2.311 857 1HD1 LEU 113 1HD1 LEU 113 13.384 -4.914 3.884 858 2HD1 LEU 113 2HD1 LEU 113 15.069 -4.411 3.765 859 3HD1 LEU 113 3HD1 LEU 113 14.470 -5.726 2.757 860 1HD2 LEU 113 1HD2 LEU 113 14.192 -1.719 2.604 861 2HD2 LEU 113 2HD2 LEU 113 15.090 -2.304 1.205 862 3HD2 LEU 113 3HD2 LEU 113 15.595 -2.763 2.828 863 H GLU 114 H GLU 114 14.829 -5.851 -1.967 864 HA GLU 114 HA GLU 114 15.667 -8.426 -0.886 865 1HB GLU 114 2HB GLU 114 14.423 -7.802 -3.571 866 2HB GLU 114 1HB GLU 114 14.633 -9.396 -2.858 867 1HG GLU 114 2HG GLU 114 13.077 -8.815 -1.079 868 2HG GLU 114 1HG GLU 114 12.878 -7.205 -1.770 869 H GLY 115 HN GLY 115 16.659 -5.993 -3.175 870 1HA GLY 115 2HA GLY 115 18.924 -5.758 -3.853 871 2HA GLY 115 1HA GLY 115 19.156 -7.479 -3.580 Start of MODEL 15 1 1H MET 1 1H MET 1 12.624 16.035 9.173 2 2H MET 1 2H MET 1 11.488 16.734 8.092 3 3H MET 1 3H MET 1 12.471 15.423 7.579 4 HA MET 1 HA MET 1 10.585 15.224 9.818 5 1HB MET 1 2HB MET 1 9.984 15.649 7.086 6 2HB MET 1 1HB MET 1 9.682 13.946 7.402 7 1HG MET 1 2HG MET 1 8.158 14.486 9.173 8 2HG MET 1 1HG MET 1 8.551 16.200 9.041 9 1HE MET 1 1HE MET 1 6.421 13.870 5.673 10 2HE MET 1 2HE MET 1 6.990 13.110 7.159 11 3HE MET 1 3HE MET 1 8.150 13.758 6.000 12 H SER 2 H SER 2 9.972 12.938 10.127 13 HA SER 2 HA SER 2 12.251 11.279 10.272 14 1HB SER 2 2HB SER 2 10.262 9.510 10.670 15 2HB SER 2 1HB SER 2 10.783 10.654 11.907 16 HG SER 2 HG SER 2 8.551 10.761 11.683 17 H GLU 3 H GLU 3 13.194 10.210 8.679 18 HA GLU 3 HA GLU 3 13.547 9.027 6.771 19 1HB GLU 3 2HB GLU 3 10.634 8.264 6.968 20 2HB GLU 3 1HB GLU 3 11.892 7.403 6.104 21 1HG GLU 3 2HG GLU 3 12.663 6.393 7.957 22 2HG GLU 3 1HG GLU 3 12.393 7.811 8.969 23 H THR 4 H THR 4 12.193 8.552 4.496 24 HA THR 4 HA THR 4 11.106 11.136 3.623 25 HB THR 4 HB THR 4 13.379 9.605 2.361 26 HG1 THR 4 HG1 THR 4 14.452 11.543 2.618 27 1HG2 THR 4 1HG2 THR 4 13.257 11.618 0.702 28 2HG2 THR 4 2HG2 THR 4 11.542 11.580 1.110 29 3HG2 THR 4 3HG2 THR 4 12.316 10.154 0.416 30 H VAL 5 H VAL 5 9.642 11.049 1.919 31 HA VAL 5 HA VAL 5 8.344 8.493 1.571 32 HB VAL 5 HB VAL 5 7.656 11.289 0.684 33 1HG1 VAL 5 1HG1 VAL 5 6.781 10.173 -1.129 34 2HG1 VAL 5 2HG1 VAL 5 5.434 10.095 0.007 35 3HG1 VAL 5 3HG1 VAL 5 6.482 8.697 -0.211 36 1HG2 VAL 5 1HG2 VAL 5 6.243 11.335 2.429 37 2HG2 VAL 5 2HG2 VAL 5 7.241 10.021 3.051 38 3HG2 VAL 5 3HG2 VAL 5 5.741 9.660 2.195 39 H ILE 6 H ILE 6 7.920 7.505 -0.483 40 HA ILE 6 HA ILE 6 9.995 8.127 -2.472 41 HB ILE 6 HB ILE 6 8.486 5.562 -2.552 42 1HG1 ILE 6 2HG1 ILE 6 10.486 6.351 -0.462 43 2HG1 ILE 6 1HG1 ILE 6 8.990 5.460 -0.278 44 1HG2 ILE 6 1HG2 ILE 6 11.420 5.990 -2.946 45 2HG2 ILE 6 2HG2 ILE 6 10.259 6.426 -4.202 46 3HG2 ILE 6 3HG2 ILE 6 10.366 4.758 -3.641 47 1HD1 ILE 6 1HD1 ILE 6 11.020 4.095 0.053 48 2HD1 ILE 6 2HD1 ILE 6 11.440 4.370 -1.635 49 3HD1 ILE 6 3HD1 ILE 6 9.966 3.493 -1.225 50 H CYS 7 H CYS 7 6.797 6.554 -2.547 51 HA CYS 7 HA CYS 7 6.224 8.083 -4.995 52 1HB CYS 7 2HB CYS 7 4.943 6.182 -5.774 53 2HB CYS 7 1HB CYS 7 6.566 5.661 -5.360 54 HG CYS 7 HG CYS 7 5.519 4.655 -3.136 55 H SER 8 H SER 8 3.724 7.906 -5.450 56 HA SER 8 HA SER 8 2.050 8.091 -3.112 57 1HB SER 8 2HB SER 8 1.422 10.520 -4.298 58 2HB SER 8 1HB SER 8 2.321 10.309 -2.800 59 HG SER 8 HG SER 8 4.242 10.323 -4.038 60 H SER 9 H SER 9 0.473 6.786 -3.863 61 HA SER 9 HA SER 9 -0.703 7.472 -6.479 62 1HB SER 9 2HB SER 9 0.467 5.411 -6.790 63 2HB SER 9 1HB SER 9 -0.199 4.739 -5.304 64 HG SER 9 HG SER 9 -2.110 4.446 -6.266 65 H ARG 10 H ARG 10 -2.941 7.150 -6.729 66 HA ARG 10 HA ARG 10 -4.430 7.355 -4.224 67 1HB ARG 10 2HB ARG 10 -4.829 9.073 -5.927 68 2HB ARG 10 1HB ARG 10 -5.298 7.833 -7.082 69 1HG ARG 10 2HG ARG 10 -6.911 7.446 -4.816 70 2HG ARG 10 1HG ARG 10 -6.889 9.183 -5.124 71 1HD ARG 10 2HD ARG 10 -7.554 7.041 -7.143 72 2HD ARG 10 1HD ARG 10 -8.722 8.068 -6.312 73 HE ARG 10 HE ARG 10 -6.768 9.611 -7.689 74 1HH1 ARG 10 2HH1 ARG 10 -9.667 7.729 -8.172 75 2HH1 ARG 10 1HH1 ARG 10 -10.136 8.587 -9.600 76 1HH2 ARG 10 1HH2 ARG 10 -7.383 10.740 -9.566 77 2HH2 ARG 10 2HH2 ARG 10 -8.838 10.297 -10.393 78 H ALA 11 H ALA 11 -5.783 5.813 -3.498 79 HA ALA 11 HA ALA 11 -7.090 3.908 -5.115 80 1HB ALA 11 1HB ALA 11 -4.674 2.846 -3.644 81 2HB ALA 11 2HB ALA 11 -4.817 3.021 -5.393 82 3HB ALA 11 3HB ALA 11 -5.858 1.887 -4.533 83 H THR 12 H THR 12 -7.732 1.921 -3.594 84 HA THR 12 HA THR 12 -8.516 3.098 -1.008 85 HB THR 12 HB THR 12 -10.089 0.915 -2.329 86 HG1 THR 12 HG1 THR 12 -10.501 3.671 -2.825 87 1HG2 THR 12 1HG2 THR 12 -10.421 2.571 -0.036 88 2HG2 THR 12 2HG2 THR 12 -11.433 1.247 -0.614 89 3HG2 THR 12 3HG2 THR 12 -11.720 2.892 -1.185 90 H VAL 13 H VAL 13 -6.761 2.242 0.127 91 HA VAL 13 HA VAL 13 -5.676 -0.257 0.003 92 HB VAL 13 HB VAL 13 -6.171 1.323 2.527 93 1HG1 VAL 13 1HG1 VAL 13 -4.618 0.002 3.638 94 2HG1 VAL 13 2HG1 VAL 13 -3.940 -0.636 2.140 95 3HG1 VAL 13 3HG1 VAL 13 -5.520 -1.181 2.694 96 1HG2 VAL 13 1HG2 VAL 13 -4.947 2.601 0.862 97 2HG2 VAL 13 2HG2 VAL 13 -3.818 1.266 0.640 98 3HG2 VAL 13 3HG2 VAL 13 -3.867 2.129 2.174 99 H MET 14 H MET 14 -6.102 -2.243 0.741 100 HA MET 14 HA MET 14 -8.628 -2.710 2.153 101 1HB MET 14 2HB MET 14 -8.638 -3.013 -0.474 102 2HB MET 14 1HB MET 14 -7.863 -4.533 -0.093 103 1HG MET 14 2HG MET 14 -9.766 -5.452 0.593 104 2HG MET 14 1HG MET 14 -10.194 -4.046 1.561 105 1HE MET 14 1HE MET 14 -12.280 -3.829 1.453 106 2HE MET 14 2HE MET 14 -13.214 -4.683 0.225 107 3HE MET 14 3HE MET 14 -13.120 -2.922 0.195 108 H LEU 15 H LEU 15 -8.773 -4.759 3.220 109 HA LEU 15 HA LEU 15 -6.191 -6.114 3.622 110 1HB LEU 15 2HB LEU 15 -8.059 -4.958 5.629 111 2HB LEU 15 1HB LEU 15 -7.282 -6.476 6.031 112 HG LEU 15 HG LEU 15 -5.952 -3.835 5.463 113 1HD1 LEU 15 1HD1 LEU 15 -5.510 -5.527 7.873 114 2HD1 LEU 15 2HD1 LEU 15 -6.974 -4.551 7.760 115 3HD1 LEU 15 3HD1 LEU 15 -5.391 -3.777 7.686 116 1HD2 LEU 15 1HD2 LEU 15 -4.874 -6.595 5.389 117 2HD2 LEU 15 2HD2 LEU 15 -3.893 -5.348 6.160 118 3HD2 LEU 15 3HD2 LEU 15 -4.393 -5.162 4.478 119 H TYR 16 H TYR 16 -6.405 -8.116 2.849 120 HA TYR 16 HA TYR 16 -8.964 -9.371 2.584 121 1HB TYR 16 2HB TYR 16 -6.880 -9.645 1.072 122 2HB TYR 16 1HB TYR 16 -6.354 -10.818 2.272 123 HD1 TYR 16 HD1 TYR 16 -7.394 -12.968 2.443 124 HD2 TYR 16 HD2 TYR 16 -8.909 -10.057 -0.262 125 HE1 TYR 16 HE1 TYR 16 -8.767 -14.699 1.367 126 HE2 TYR 16 HE2 TYR 16 -10.290 -11.773 -1.352 127 HH TYR 16 HH TYR 16 -9.826 -14.869 -1.210 128 H ASP 17 H ASP 17 -9.732 -11.209 3.575 129 HA ASP 17 HA ASP 17 -8.367 -12.022 6.054 130 1HB ASP 17 2HB ASP 17 -10.740 -10.633 5.972 131 2HB ASP 17 1HB ASP 17 -11.293 -12.303 6.064 132 H ASP 18 H ASP 18 -7.453 -13.795 4.934 133 HA ASP 18 HA ASP 18 -8.734 -15.602 3.296 134 1HB ASP 18 2HB ASP 18 -6.340 -15.661 5.012 135 2HB ASP 18 1HB ASP 18 -7.012 -17.239 4.616 136 H GLY 19 H GLY 19 -9.059 -15.215 6.725 137 1HA GLY 19 2HA GLY 19 -9.917 -17.711 7.552 138 2HA GLY 19 1HA GLY 19 -10.509 -16.196 8.215 139 H ASN 20 H ASN 20 -11.585 -15.389 5.562 140 HA ASN 20 HA ASN 20 -13.766 -17.316 5.231 141 1HB ASN 20 2HB ASN 20 -14.033 -14.422 5.993 142 2HB ASN 20 1HB ASN 20 -15.315 -15.239 5.102 143 1HD2 ASN 20 1HD2 ASN 20 -13.300 -15.550 7.991 144 2HD2 ASN 20 2HD2 ASN 20 -14.513 -16.297 8.969 145 H LYS 21 H LYS 21 -11.342 -15.993 3.715 146 HA LYS 21 HA LYS 21 -10.832 -15.366 1.586 147 1HB LYS 21 2HB LYS 21 -11.830 -17.640 1.244 148 2HB LYS 21 1HB LYS 21 -13.363 -16.857 0.882 149 1HG LYS 21 2HG LYS 21 -12.314 -15.705 -1.013 150 2HG LYS 21 1HG LYS 21 -10.797 -16.534 -0.660 151 1HD LYS 21 2HD LYS 21 -11.512 -18.489 -1.536 152 2HD LYS 21 1HD LYS 21 -13.157 -18.274 -0.934 153 1HE LYS 21 2HE LYS 21 -13.835 -17.580 -2.932 154 2HE LYS 21 1HE LYS 21 -12.620 -16.303 -2.935 155 1HZ LYS 21 1HZ LYS 21 -12.256 -19.097 -3.871 156 2HZ LYS 21 2HZ LYS 21 -11.011 -17.958 -3.763 157 3HZ LYS 21 3HZ LYS 21 -12.298 -17.705 -4.831 158 H ARG 22 H ARG 22 -11.211 -13.123 1.978 159 HA ARG 22 HA ARG 22 -12.834 -11.858 0.107 160 1HB ARG 22 2HB ARG 22 -14.507 -10.792 1.659 161 2HB ARG 22 1HB ARG 22 -14.769 -12.501 1.342 162 1HG ARG 22 2HG ARG 22 -14.682 -12.965 3.503 163 2HG ARG 22 1HG ARG 22 -13.096 -12.203 3.645 164 1HD ARG 22 2HD ARG 22 -14.537 -11.068 5.148 165 2HD ARG 22 1HD ARG 22 -14.290 -9.993 3.772 166 HE ARG 22 HE ARG 22 -16.520 -10.171 3.272 167 1HH1 ARG 22 2HH1 ARG 22 -15.664 -12.663 5.559 168 2HH1 ARG 22 1HH1 ARG 22 -17.304 -13.146 5.836 169 1HH2 ARG 22 1HH2 ARG 22 -18.677 -10.803 3.635 170 2HH2 ARG 22 2HH2 ARG 22 -19.015 -12.091 4.744 171 H TRP 23 H TRP 23 -13.023 -9.449 0.547 172 HA TRP 23 HA TRP 23 -10.487 -8.543 1.640 173 1HB TRP 23 2HB TRP 23 -12.608 -7.321 -0.089 174 2HB TRP 23 1HB TRP 23 -11.464 -6.278 0.742 175 HD1 TRP 23 HD1 TRP 23 -11.901 -7.735 -2.481 176 HE1 TRP 23 HE1 TRP 23 -9.687 -8.040 -3.750 177 HE3 TRP 23 HE3 TRP 23 -8.655 -7.171 1.418 178 HZ2 TRP 23 HZ2 TRP 23 -6.928 -8.032 -3.175 179 HZ3 TRP 23 HZ3 TRP 23 -6.242 -7.328 0.975 180 HH2 TRP 23 HH2 TRP 23 -5.399 -7.749 -1.276 181 H LEU 24 H LEU 24 -10.602 -6.330 2.793 182 HA LEU 24 HA LEU 24 -12.904 -5.806 4.402 183 1HB LEU 24 2HB LEU 24 -10.901 -7.630 5.402 184 2HB LEU 24 1HB LEU 24 -10.986 -6.201 6.414 185 HG LEU 24 HG LEU 24 -13.387 -7.877 5.688 186 1HD1 LEU 24 1HD1 LEU 24 -12.272 -9.383 6.990 187 2HD1 LEU 24 2HD1 LEU 24 -13.078 -8.441 8.245 188 3HD1 LEU 24 3HD1 LEU 24 -11.383 -8.138 7.865 189 1HD2 LEU 24 1HD2 LEU 24 -14.298 -5.897 6.350 190 2HD2 LEU 24 2HD2 LEU 24 -12.913 -5.465 7.353 191 3HD2 LEU 24 3HD2 LEU 24 -14.083 -6.653 7.929 192 HA PRO 25 HA PRO 25 -11.181 -1.726 3.899 193 1HB PRO 25 2HB PRO 25 -12.475 -1.442 6.586 194 2HB PRO 25 1HB PRO 25 -12.525 -0.351 5.196 195 1HG PRO 25 2HG PRO 25 -14.573 -1.973 5.740 196 2HG PRO 25 1HG PRO 25 -14.082 -1.641 4.070 197 1HD PRO 25 2HD PRO 25 -13.743 -4.101 5.682 198 2HD PRO 25 1HD PRO 25 -13.844 -3.908 3.922 199 H ALA 26 H ALA 26 -8.985 -1.990 4.126 200 HA ALA 26 HA ALA 26 -7.514 -2.883 6.244 201 1HB ALA 26 1HB ALA 26 -6.872 -0.701 4.278 202 2HB ALA 26 2HB ALA 26 -6.437 -2.407 4.181 203 3HB ALA 26 3HB ALA 26 -5.693 -1.375 5.402 204 H GLY 27 H GLY 27 -8.548 0.459 5.691 205 1HA GLY 27 2HA GLY 27 -7.357 1.612 7.941 206 2HA GLY 27 1HA GLY 27 -8.771 2.245 7.113 207 H THR 28 H THR 28 -10.497 2.475 8.358 208 HA THR 28 HA THR 28 -10.812 0.656 10.653 209 HB THR 28 HB THR 28 -11.964 2.509 11.814 210 HG1 THR 28 HG1 THR 28 -11.918 4.558 10.916 211 1HG2 THR 28 1HG2 THR 28 -9.655 2.312 12.341 212 2HG2 THR 28 2HG2 THR 28 -10.016 4.025 12.126 213 3HG2 THR 28 3HG2 THR 28 -9.186 3.130 10.852 214 H GLY 29 H GLY 29 -13.046 3.054 9.329 215 1HA GLY 29 2HA GLY 29 -14.891 0.841 8.673 216 2HA GLY 29 1HA GLY 29 -15.435 2.290 9.503 217 HA PRO 30 HA PRO 30 -16.613 4.336 5.794 218 1HB PRO 30 2HB PRO 30 -14.704 6.499 6.573 219 2HB PRO 30 1HB PRO 30 -16.397 6.618 6.081 220 1HG PRO 30 2HG PRO 30 -15.721 6.836 8.643 221 2HG PRO 30 1HG PRO 30 -17.188 5.963 8.161 222 1HD PRO 30 2HD PRO 30 -14.573 4.898 9.108 223 2HD PRO 30 1HD PRO 30 -16.209 4.252 9.342 224 H GLN 31 H GLN 31 -15.863 4.873 3.694 225 HA GLN 31 HA GLN 31 -13.002 4.597 3.186 226 1HB GLN 31 2HB GLN 31 -13.831 2.333 2.969 227 2HB GLN 31 1HB GLN 31 -15.114 2.864 1.893 228 1HG GLN 31 2HG GLN 31 -12.975 3.747 0.530 229 2HG GLN 31 1HG GLN 31 -12.260 2.366 1.361 230 1HE2 GLN 31 1HE2 GLN 31 -14.298 3.414 -1.161 231 2HE2 GLN 31 2HE2 GLN 31 -14.741 1.858 -1.766 232 H ALA 32 H ALA 32 -12.273 5.648 1.411 233 HA ALA 32 HA ALA 32 -13.903 6.610 -0.695 234 1HB ALA 32 1HB ALA 32 -12.884 8.958 0.757 235 2HB ALA 32 2HB ALA 32 -14.239 8.131 1.523 236 3HB ALA 32 3HB ALA 32 -14.395 8.737 -0.125 237 H PHE 33 H PHE 33 -11.610 5.143 -0.596 238 HA PHE 33 HA PHE 33 -9.561 4.965 -1.570 239 1HB PHE 33 2HB PHE 33 -10.439 7.612 -2.686 240 2HB PHE 33 1HB PHE 33 -8.815 7.017 -2.985 241 HD1 PHE 33 HD1 PHE 33 -8.394 5.389 -4.602 242 HD2 PHE 33 HD2 PHE 33 -12.399 6.232 -3.443 243 HE1 PHE 33 HE1 PHE 33 -9.216 4.029 -6.474 244 HE2 PHE 33 HE2 PHE 33 -13.232 4.871 -5.316 245 HZ PHE 33 HZ PHE 33 -11.640 3.766 -6.836 246 H SER 34 H SER 34 -7.392 6.483 -1.809 247 HA SER 34 HA SER 34 -6.947 8.348 0.261 248 1HB SER 34 2HB SER 34 -6.775 6.954 2.022 249 2HB SER 34 1HB SER 34 -6.758 5.528 0.990 250 HG SER 34 HG SER 34 -4.542 7.203 1.579 251 H ARG 35 H ARG 35 -4.696 8.961 0.463 252 HA ARG 35 HA ARG 35 -3.230 8.434 -2.023 253 1HB ARG 35 2HB ARG 35 -3.806 10.813 -1.154 254 2HB ARG 35 1HB ARG 35 -2.504 10.542 -0.003 255 1HG ARG 35 2HG ARG 35 -1.555 9.839 -2.583 256 2HG ARG 35 1HG ARG 35 -2.339 11.415 -2.692 257 1HD ARG 35 2HD ARG 35 -0.388 10.802 -0.501 258 2HD ARG 35 1HD ARG 35 0.167 11.314 -2.094 259 HE ARG 35 HE ARG 35 -1.054 12.947 -0.080 260 1HH1 ARG 35 2HH1 ARG 35 -0.540 12.587 -3.512 261 2HH1 ARG 35 1HH1 ARG 35 -0.729 14.276 -3.844 262 1HH2 ARG 35 1HH2 ARG 35 -1.303 15.170 -0.515 263 2HH2 ARG 35 2HH2 ARG 35 -1.162 15.742 -2.143 264 H VAL 36 H VAL 36 -2.194 6.529 -1.609 265 HA VAL 36 HA VAL 36 -0.677 6.274 0.860 266 HB VAL 36 HB VAL 36 -0.996 4.214 -1.316 267 1HG1 VAL 36 1HG1 VAL 36 0.920 3.949 0.252 268 2HG1 VAL 36 2HG1 VAL 36 -0.258 2.640 0.342 269 3HG1 VAL 36 3HG1 VAL 36 -0.234 3.894 1.583 270 1HG2 VAL 36 1HG2 VAL 36 -2.477 3.907 1.207 271 2HG2 VAL 36 2HG2 VAL 36 -2.963 3.535 -0.447 272 3HG2 VAL 36 3HG2 VAL 36 -3.055 5.193 0.147 273 H GLN 37 H GLN 37 1.349 6.718 1.017 274 HA GLN 37 HA GLN 37 3.023 6.781 -1.400 275 1HB GLN 37 2HB GLN 37 3.439 8.303 1.173 276 2HB GLN 37 1HB GLN 37 4.360 8.481 -0.312 277 1HG GLN 37 2HG GLN 37 2.106 9.125 -1.370 278 2HG GLN 37 1HG GLN 37 1.565 9.356 0.289 279 1HE2 GLN 37 1HE2 GLN 37 4.099 10.307 -1.986 280 2HE2 GLN 37 2HE2 GLN 37 4.328 11.893 -1.342 281 H ILE 38 H ILE 38 5.448 6.440 -0.759 282 HA ILE 38 HA ILE 38 5.531 4.213 1.170 283 HB ILE 38 HB ILE 38 7.048 4.554 -1.424 284 1HG1 ILE 38 2HG1 ILE 38 5.235 2.343 -0.434 285 2HG1 ILE 38 1HG1 ILE 38 4.735 3.638 -1.516 286 1HG2 ILE 38 1HG2 ILE 38 7.421 2.413 0.687 287 2HG2 ILE 38 2HG2 ILE 38 8.562 3.712 0.344 288 3HG2 ILE 38 3HG2 ILE 38 8.231 2.486 -0.878 289 1HD1 ILE 38 1HD1 ILE 38 6.215 1.197 -2.068 290 2HD1 ILE 38 2HD1 ILE 38 6.932 2.641 -2.784 291 3HD1 ILE 38 3HD1 ILE 38 5.259 2.215 -3.144 292 H TYR 39 H TYR 39 7.498 3.967 2.379 293 HA TYR 39 HA TYR 39 8.912 6.529 2.684 294 1HB TYR 39 2HB TYR 39 7.906 4.531 4.641 295 2HB TYR 39 1HB TYR 39 9.397 5.386 5.038 296 HD1 TYR 39 HD1 TYR 39 6.030 6.212 3.626 297 HD2 TYR 39 HD2 TYR 39 9.149 7.278 6.308 298 HE1 TYR 39 HE1 TYR 39 4.725 8.158 4.349 299 HE2 TYR 39 HE2 TYR 39 7.858 9.228 7.052 300 HH TYR 39 HH TYR 39 6.055 10.674 6.209 301 H HIS 40 H HIS 40 10.932 6.567 2.071 302 HA HIS 40 HA HIS 40 12.407 4.071 1.746 303 1HB HIS 40 2HB HIS 40 12.306 5.813 -0.083 304 2HB HIS 40 1HB HIS 40 13.270 6.857 0.947 305 HD1 HIS 40 HD1 HIS 40 13.861 5.121 -1.887 306 HD2 HIS 40 HD2 HIS 40 15.602 4.828 1.874 307 HE1 HIS 40 HE1 HIS 40 16.107 4.056 -2.267 308 HE2 HIS 40 HE2 HIS 40 17.116 3.830 0.030 309 H ASN 41 H ASN 41 12.909 3.574 3.886 310 HA ASN 41 HA ASN 41 14.554 5.486 5.376 311 1HB ASN 41 2HB ASN 41 13.526 2.824 6.361 312 2HB ASN 41 1HB ASN 41 14.114 4.177 7.322 313 1HD2 ASN 41 1HD2 ASN 41 11.851 3.344 8.177 314 2HD2 ASN 41 2HD2 ASN 41 10.515 4.306 7.658 315 HA PRO 42 HA PRO 42 17.839 2.700 3.845 316 1HB PRO 42 2HB PRO 42 19.732 4.530 3.505 317 2HB PRO 42 1HB PRO 42 18.399 4.386 2.354 318 1HG PRO 42 2HG PRO 42 18.762 6.345 4.594 319 2HG PRO 42 1HG PRO 42 18.204 6.636 2.936 320 1HD PRO 42 2HD PRO 42 16.526 6.362 5.093 321 2HD PRO 42 1HD PRO 42 16.062 5.998 3.419 322 H THR 43 H THR 43 17.787 5.012 6.468 323 HA THR 43 HA THR 43 20.197 4.633 7.719 324 HB THR 43 HB THR 43 17.639 4.652 9.302 325 HG1 THR 43 HG1 THR 43 18.764 6.758 7.786 326 1HG2 THR 43 1HG2 THR 43 20.425 5.514 9.755 327 2HG2 THR 43 2HG2 THR 43 19.239 4.849 10.879 328 3HG2 THR 43 3HG2 THR 43 19.149 6.545 10.403 329 H ALA 44 H ALA 44 17.515 2.428 7.488 330 HA ALA 44 HA ALA 44 19.122 0.390 8.862 331 1HB ALA 44 1HB ALA 44 17.145 -0.528 9.911 332 2HB ALA 44 2HB ALA 44 16.137 0.699 9.141 333 3HB ALA 44 3HB ALA 44 17.325 1.170 10.356 334 H ASN 45 H ASN 45 18.009 1.280 5.989 335 HA ASN 45 HA ASN 45 17.578 0.232 4.022 336 1HB ASN 45 2HB ASN 45 19.563 -1.102 4.584 337 2HB ASN 45 1HB ASN 45 18.564 -2.211 5.516 338 1HD2 ASN 45 1HD2 ASN 45 18.015 -0.718 2.347 339 2HD2 ASN 45 2HD2 ASN 45 17.880 -2.207 1.482 340 H SER 46 H SER 46 15.413 0.743 5.473 341 HA SER 46 HA SER 46 13.716 -1.611 4.974 342 1HB SER 46 2HB SER 46 13.686 0.154 7.425 343 2HB SER 46 1HB SER 46 12.364 -0.935 7.003 344 HG SER 46 HG SER 46 15.042 -1.811 7.270 345 H PHE 47 H PHE 47 11.503 -1.156 4.501 346 HA PHE 47 HA PHE 47 11.004 1.622 3.661 347 1HB PHE 47 2HB PHE 47 10.457 -0.949 2.189 348 2HB PHE 47 1HB PHE 47 9.600 0.533 1.805 349 HD1 PHE 47 HD1 PHE 47 12.594 -1.356 1.331 350 HD2 PHE 47 HD2 PHE 47 10.941 2.553 1.127 351 HE1 PHE 47 HE1 PHE 47 14.456 -0.647 -0.116 352 HE2 PHE 47 HE2 PHE 47 12.797 3.273 -0.319 353 HZ PHE 47 HZ PHE 47 14.559 1.670 -0.943 354 H ARG 48 H ARG 48 8.539 1.930 3.231 355 HA ARG 48 HA ARG 48 6.768 0.292 4.775 356 1HB ARG 48 2HB ARG 48 7.885 1.536 6.580 357 2HB ARG 48 1HB ARG 48 7.426 3.050 5.816 358 1HG ARG 48 2HG ARG 48 5.339 2.974 6.615 359 2HG ARG 48 1HG ARG 48 5.195 1.236 6.361 360 1HD ARG 48 2HD ARG 48 6.187 0.729 8.401 361 2HD ARG 48 1HD ARG 48 6.950 2.313 8.531 362 HE ARG 48 HE ARG 48 4.293 1.591 9.361 363 1HH1 ARG 48 2HH1 ARG 48 6.375 4.218 8.391 364 2HH1 ARG 48 1HH1 ARG 48 5.436 5.427 9.200 365 1HH2 ARG 48 1HH2 ARG 48 3.058 3.179 10.427 366 2HH2 ARG 48 2HH2 ARG 48 3.552 4.837 10.357 367 H VAL 49 H VAL 49 4.577 0.843 4.542 368 HA VAL 49 HA VAL 49 4.057 2.747 2.363 369 HB VAL 49 HB VAL 49 3.447 0.494 1.746 370 1HG1 VAL 49 1HG1 VAL 49 3.207 -0.649 3.775 371 2HG1 VAL 49 2HG1 VAL 49 1.591 -0.647 3.070 372 3HG1 VAL 49 3HG1 VAL 49 1.987 0.478 4.368 373 1HG2 VAL 49 1HG2 VAL 49 1.133 0.801 1.162 374 2HG2 VAL 49 2HG2 VAL 49 1.959 2.355 1.052 375 3HG2 VAL 49 3HG2 VAL 49 0.929 2.001 2.438 376 H VAL 50 H VAL 50 2.774 4.459 2.738 377 HA VAL 50 HA VAL 50 1.048 4.449 5.109 378 HB VAL 50 HB VAL 50 2.562 6.955 4.537 379 1HG1 VAL 50 1HG1 VAL 50 2.364 7.119 7.039 380 2HG1 VAL 50 2HG1 VAL 50 1.381 5.655 6.980 381 3HG1 VAL 50 3HG1 VAL 50 0.837 7.118 6.157 382 1HG2 VAL 50 1HG2 VAL 50 4.359 6.267 6.076 383 2HG2 VAL 50 2HG2 VAL 50 4.336 5.300 4.601 384 3HG2 VAL 50 3HG2 VAL 50 3.691 4.634 6.102 385 H GLY 51 H GLY 51 -0.941 5.038 4.561 386 1HA GLY 51 2HA GLY 51 -1.290 7.111 2.514 387 2HA GLY 51 1HA GLY 51 -2.086 5.564 2.276 388 H ARG 52 H ARG 52 -3.053 8.381 2.733 389 HA ARG 52 HA ARG 52 -4.916 7.736 4.921 390 1HB ARG 52 2HB ARG 52 -5.007 10.280 5.269 391 2HB ARG 52 1HB ARG 52 -3.596 9.421 5.874 392 1HG ARG 52 2HG ARG 52 -2.452 10.057 3.707 393 2HG ARG 52 1HG ARG 52 -3.812 11.145 3.426 394 1HD ARG 52 2HD ARG 52 -3.021 12.652 4.868 395 2HD ARG 52 1HD ARG 52 -2.726 11.427 6.101 396 HE ARG 52 HE ARG 52 -0.528 11.351 5.458 397 1HH1 ARG 52 2HH1 ARG 52 -2.369 13.034 3.017 398 2HH1 ARG 52 1HH1 ARG 52 -0.969 13.555 2.141 399 1HH2 ARG 52 1HH2 ARG 52 1.315 12.035 4.307 400 2HH2 ARG 52 2HH2 ARG 52 1.123 12.987 2.874 401 H LYS 53 H LYS 53 -7.015 8.793 4.751 402 HA LYS 53 HA LYS 53 -8.192 8.479 2.242 403 1HB LYS 53 2HB LYS 53 -9.028 9.256 4.892 404 2HB LYS 53 1HB LYS 53 -9.831 10.252 3.686 405 1HG LYS 53 2HG LYS 53 -11.115 8.242 4.295 406 2HG LYS 53 1HG LYS 53 -10.702 8.301 2.580 407 1HD LYS 53 2HD LYS 53 -8.964 6.699 2.866 408 2HD LYS 53 1HD LYS 53 -9.088 6.788 4.623 409 1HE LYS 53 2HE LYS 53 -10.782 5.328 4.687 410 2HE LYS 53 1HE LYS 53 -11.604 6.089 3.325 411 1HZ LYS 53 1HZ LYS 53 -11.026 4.287 2.185 412 2HZ LYS 53 2HZ LYS 53 -9.947 3.760 3.374 413 3HZ LYS 53 3HZ LYS 53 -9.436 4.869 2.204 414 H MET 54 H MET 54 -9.484 10.232 1.115 415 HA MET 54 HA MET 54 -7.746 12.574 0.757 416 1HB MET 54 2HB MET 54 -9.821 11.599 -1.199 417 2HB MET 54 1HB MET 54 -8.485 12.704 -1.497 418 1HG MET 54 2HG MET 54 -7.088 10.570 -0.729 419 2HG MET 54 1HG MET 54 -8.519 9.753 -1.359 420 1HE MET 54 1HE MET 54 -5.601 9.250 -3.478 421 2HE MET 54 2HE MET 54 -5.456 9.974 -1.876 422 3HE MET 54 3HE MET 54 -4.935 10.874 -3.302 423 H GLN 55 H GLN 55 -9.470 12.625 2.887 424 HA GLN 55 HA GLN 55 -11.415 14.658 2.021 425 1HB GLN 55 2HB GLN 55 -12.780 13.842 4.063 426 2HB GLN 55 1HB GLN 55 -12.844 12.907 2.576 427 1HG GLN 55 2HG GLN 55 -11.581 11.185 3.447 428 2HG GLN 55 1HG GLN 55 -10.863 12.204 4.694 429 1HE2 GLN 55 1HE2 GLN 55 -12.475 9.613 4.641 430 2HE2 GLN 55 2HE2 GLN 55 -13.684 9.861 5.850 431 HA PRO 56 HA PRO 56 -9.928 17.623 4.899 432 1HB PRO 56 2HB PRO 56 -12.531 17.384 6.352 433 2HB PRO 56 1HB PRO 56 -11.677 18.832 5.806 434 1HG PRO 56 2HG PRO 56 -13.778 17.920 4.457 435 2HG PRO 56 1HG PRO 56 -12.366 18.572 3.605 436 1HD PRO 56 2HD PRO 56 -13.244 15.747 3.933 437 2HD PRO 56 1HD PRO 56 -12.387 16.516 2.584 438 H ASP 57 H ASP 57 -11.553 14.806 6.268 439 HA ASP 57 HA ASP 57 -10.530 15.070 8.895 440 1HB ASP 57 2HB ASP 57 -12.012 13.059 7.361 441 2HB ASP 57 1HB ASP 57 -10.938 12.366 8.573 442 H GLN 58 H GLN 58 -9.489 13.073 6.140 443 HA GLN 58 HA GLN 58 -7.492 12.130 5.611 444 1HB GLN 58 2HB GLN 58 -6.871 14.634 6.848 445 2HB GLN 58 1HB GLN 58 -5.657 13.456 7.323 446 1HG GLN 58 2HG GLN 58 -4.664 14.052 5.413 447 2HG GLN 58 1HG GLN 58 -5.832 12.961 4.670 448 1HE2 GLN 58 1HE2 GLN 58 -5.967 14.034 2.744 449 2HE2 GLN 58 2HE2 GLN 58 -6.668 15.604 2.577 450 H GLN 59 H GLN 59 -7.829 10.100 6.432 451 HA GLN 59 HA GLN 59 -6.610 9.563 9.059 452 1HB GLN 59 2HB GLN 59 -8.236 7.754 9.389 453 2HB GLN 59 1HB GLN 59 -9.038 9.310 9.216 454 1HG GLN 59 2HG GLN 59 -9.355 8.702 6.772 455 2HG GLN 59 1HG GLN 59 -8.876 7.069 7.230 456 1HE2 GLN 59 1HE2 GLN 59 -10.151 6.019 8.910 457 2HE2 GLN 59 2HE2 GLN 59 -11.839 6.370 9.021 458 H VAL 60 H VAL 60 -4.936 8.202 8.978 459 HA VAL 60 HA VAL 60 -4.021 7.109 6.560 460 HB VAL 60 HB VAL 60 -2.273 6.052 7.797 461 1HG1 VAL 60 1HG1 VAL 60 -1.926 8.082 9.575 462 2HG1 VAL 60 2HG1 VAL 60 -3.094 8.788 8.456 463 3HG1 VAL 60 3HG1 VAL 60 -1.554 8.175 7.853 464 1HG2 VAL 60 1HG2 VAL 60 -2.600 6.423 10.465 465 2HG2 VAL 60 2HG2 VAL 60 -2.949 4.915 9.619 466 3HG2 VAL 60 3HG2 VAL 60 -4.253 6.051 9.973 467 H VAL 61 H VAL 61 -4.734 5.416 5.471 468 HA VAL 61 HA VAL 61 -6.379 3.425 6.829 469 HB VAL 61 HB VAL 61 -7.197 2.760 4.722 470 1HG1 VAL 61 1HG1 VAL 61 -8.348 4.621 4.202 471 2HG1 VAL 61 2HG1 VAL 61 -6.890 5.577 3.937 472 3HG1 VAL 61 3HG1 VAL 61 -7.485 5.310 5.577 473 1HG2 VAL 61 1HG2 VAL 61 -4.970 4.325 3.413 474 2HG2 VAL 61 2HG2 VAL 61 -6.237 3.417 2.584 475 3HG2 VAL 61 3HG2 VAL 61 -5.044 2.569 3.564 476 H ILE 62 H ILE 62 -3.207 3.814 5.577 477 HA ILE 62 HA ILE 62 -2.637 1.007 6.178 478 HB ILE 62 HB ILE 62 -2.867 1.224 3.700 479 1HG1 ILE 62 2HG1 ILE 62 0.027 0.727 4.302 480 2HG1 ILE 62 1HG1 ILE 62 -1.200 -0.311 5.019 481 1HG2 ILE 62 1HG2 ILE 62 -0.340 2.845 3.762 482 2HG2 ILE 62 2HG2 ILE 62 -1.936 3.599 3.703 483 3HG2 ILE 62 3HG2 ILE 62 -1.417 2.529 2.400 484 1HD1 ILE 62 1HD1 ILE 62 -0.202 -0.193 2.282 485 2HD1 ILE 62 2HD1 ILE 62 -1.959 -0.280 2.407 486 3HD1 ILE 62 3HD1 ILE 62 -0.960 -1.520 3.163 487 H ASN 63 H ASN 63 -0.754 0.705 7.252 488 HA ASN 63 HA ASN 63 1.374 2.624 7.179 489 1HB ASN 63 2HB ASN 63 1.257 3.198 9.596 490 2HB ASN 63 1HB ASN 63 -0.109 3.816 8.680 491 1HD2 ASN 63 1HD2 ASN 63 -1.094 3.966 10.806 492 2HD2 ASN 63 2HD2 ASN 63 -1.874 2.572 11.468 493 H CYS 64 H CYS 64 2.047 0.393 6.434 494 HA CYS 64 HA CYS 64 3.138 -1.076 8.737 495 1HB CYS 64 2HB CYS 64 1.136 -2.121 7.278 496 2HB CYS 64 1HB CYS 64 2.501 -2.639 6.295 497 HG CYS 64 HG CYS 64 3.341 -3.633 8.788 498 H ALA 65 H ALA 65 5.253 -1.578 8.610 499 HA ALA 65 HA ALA 65 6.795 -0.445 6.477 500 1HB ALA 65 1HB ALA 65 8.001 -0.188 8.364 501 2HB ALA 65 2HB ALA 65 8.635 -1.768 7.910 502 3HB ALA 65 3HB ALA 65 7.348 -1.647 9.110 503 H ILE 66 H ILE 66 8.000 -1.461 4.924 504 HA ILE 66 HA ILE 66 7.599 -4.368 4.634 505 HB ILE 66 HB ILE 66 7.988 -3.840 2.119 506 1HG1 ILE 66 2HG1 ILE 66 6.571 -1.290 2.581 507 2HG1 ILE 66 1HG1 ILE 66 8.287 -1.293 2.981 508 1HG2 ILE 66 1HG2 ILE 66 5.545 -3.668 3.762 509 2HG2 ILE 66 2HG2 ILE 66 5.938 -4.735 2.414 510 3HG2 ILE 66 3HG2 ILE 66 5.407 -3.083 2.103 511 1HD1 ILE 66 1HD1 ILE 66 7.038 -1.112 0.430 512 2HD1 ILE 66 2HD1 ILE 66 8.029 -2.570 0.488 513 3HD1 ILE 66 3HD1 ILE 66 8.749 -0.999 0.843 514 H VAL 67 H VAL 67 9.407 -5.543 4.606 515 HA VAL 67 HA VAL 67 11.873 -4.320 3.615 516 HB VAL 67 HB VAL 67 13.157 -5.339 5.484 517 1HG1 VAL 67 1HG1 VAL 67 11.881 -3.600 7.198 518 2HG1 VAL 67 2HG1 VAL 67 11.429 -2.999 5.602 519 3HG1 VAL 67 3HG1 VAL 67 13.130 -3.173 6.029 520 1HG2 VAL 67 1HG2 VAL 67 10.435 -6.125 6.302 521 2HG2 VAL 67 2HG2 VAL 67 11.484 -5.532 7.589 522 3HG2 VAL 67 3HG2 VAL 67 11.986 -6.910 6.608 523 H ARG 68 H ARG 68 12.448 -5.555 2.004 524 HA ARG 68 HA ARG 68 12.472 -7.435 0.619 525 1HB ARG 68 2HB ARG 68 14.695 -7.218 1.508 526 2HB ARG 68 1HB ARG 68 14.244 -8.049 2.988 527 1HG ARG 68 2HG ARG 68 13.636 -9.937 1.138 528 2HG ARG 68 1HG ARG 68 15.000 -9.130 0.367 529 1HD ARG 68 2HD ARG 68 16.268 -9.408 2.503 530 2HD ARG 68 1HD ARG 68 14.930 -10.387 3.103 531 HE ARG 68 HE ARG 68 16.945 -11.172 1.209 532 1HH1 ARG 68 2HH1 ARG 68 13.712 -11.787 2.368 533 2HH1 ARG 68 1HH1 ARG 68 13.688 -13.424 1.808 534 1HH2 ARG 68 1HH2 ARG 68 16.917 -13.327 0.472 535 2HH2 ARG 68 2HH2 ARG 68 15.507 -14.300 0.734 536 H GLY 69 H GLY 69 10.155 -8.071 1.054 537 1HA GLY 69 2HA GLY 69 10.052 -10.835 1.740 538 2HA GLY 69 1HA GLY 69 9.357 -9.854 3.017 539 H VAL 70 H VAL 70 8.226 -7.850 1.224 540 HA VAL 70 HA VAL 70 5.896 -9.403 0.418 541 HB VAL 70 HB VAL 70 6.377 -6.528 1.052 542 1HG1 VAL 70 1HG1 VAL 70 5.294 -6.007 -0.896 543 2HG1 VAL 70 2HG1 VAL 70 3.916 -6.253 0.180 544 3HG1 VAL 70 3HG1 VAL 70 4.404 -7.529 -0.933 545 1HG2 VAL 70 1HG2 VAL 70 3.850 -7.904 1.677 546 2HG2 VAL 70 2HG2 VAL 70 4.871 -6.879 2.692 547 3HG2 VAL 70 3HG2 VAL 70 5.301 -8.570 2.432 548 H LYS 71 H LYS 71 5.092 -9.528 -1.618 549 HA LYS 71 HA LYS 71 6.666 -8.285 -3.773 550 1HB LYS 71 2HB LYS 71 6.552 -11.002 -3.225 551 2HB LYS 71 1HB LYS 71 5.379 -10.797 -4.518 552 1HG LYS 71 2HG LYS 71 7.319 -11.233 -5.677 553 2HG LYS 71 1HG LYS 71 7.272 -9.468 -5.686 554 1HD LYS 71 2HD LYS 71 8.689 -9.647 -3.535 555 2HD LYS 71 1HD LYS 71 8.994 -11.303 -4.058 556 1HE LYS 71 2HE LYS 71 9.396 -9.047 -5.972 557 2HE LYS 71 1HE LYS 71 10.623 -9.382 -4.750 558 1HZ LYS 71 1HZ LYS 71 9.622 -11.607 -6.377 559 2HZ LYS 71 2HZ LYS 71 11.152 -11.374 -5.697 560 3HZ LYS 71 3HZ LYS 71 10.708 -10.518 -7.085 561 H TYR 72 H TYR 72 5.387 -6.770 -4.615 562 HA TYR 72 HA TYR 72 2.639 -6.571 -4.430 563 1HB TYR 72 2HB TYR 72 4.741 -5.329 -6.076 564 2HB TYR 72 1HB TYR 72 3.135 -5.279 -6.789 565 HD1 TYR 72 HD1 TYR 72 3.563 -5.251 -3.159 566 HD2 TYR 72 HD2 TYR 72 3.035 -2.844 -6.630 567 HE1 TYR 72 HE1 TYR 72 3.014 -3.330 -1.734 568 HE2 TYR 72 HE2 TYR 72 2.483 -0.910 -5.216 569 HH TYR 72 HH TYR 72 3.073 -0.837 -1.901 570 H ASN 73 H ASN 73 0.999 -7.628 -5.299 571 HA ASN 73 HA ASN 73 1.461 -9.172 -7.766 572 1HB ASN 73 2HB ASN 73 0.752 -10.163 -5.267 573 2HB ASN 73 1HB ASN 73 -0.773 -10.113 -6.146 574 1HD2 ASN 73 1HD2 ASN 73 -0.032 -10.682 -8.682 575 2HD2 ASN 73 2HD2 ASN 73 0.636 -12.273 -8.770 576 H GLN 74 H GLN 74 0.500 -8.158 -9.394 577 HA GLN 74 HA GLN 74 -1.638 -6.326 -9.096 578 1HB GLN 74 2HB GLN 74 0.076 -6.361 -10.954 579 2HB GLN 74 1HB GLN 74 -0.810 -7.713 -11.645 580 1HG GLN 74 2HG GLN 74 -2.631 -5.589 -11.086 581 2HG GLN 74 1HG GLN 74 -1.265 -4.961 -12.006 582 1HE2 GLN 74 1HE2 GLN 74 -3.852 -7.320 -11.979 583 2HE2 GLN 74 2HE2 GLN 74 -3.901 -7.570 -13.687 584 H ALA 75 H ALA 75 -3.375 -7.300 -8.088 585 HA ALA 75 HA ALA 75 -4.492 -9.783 -8.817 586 1HB ALA 75 1HB ALA 75 -5.338 -7.475 -7.162 587 2HB ALA 75 2HB ALA 75 -5.228 -9.186 -6.752 588 3HB ALA 75 3HB ALA 75 -6.594 -8.592 -7.697 589 H THR 76 H THR 76 -5.125 -6.484 -9.880 590 HA THR 76 HA THR 76 -6.518 -7.525 -12.216 591 HB THR 76 HB THR 76 -8.512 -6.364 -11.919 592 HG1 THR 76 HG1 THR 76 -8.744 -4.625 -10.526 593 1HG2 THR 76 1HG2 THR 76 -8.104 -8.138 -10.091 594 2HG2 THR 76 2HG2 THR 76 -9.463 -7.024 -9.931 595 3HG2 THR 76 3HG2 THR 76 -7.983 -6.749 -9.010 596 HA PRO 77 HA PRO 77 -4.744 -4.298 -14.643 597 1HB PRO 77 2HB PRO 77 -7.377 -2.910 -14.869 598 2HB PRO 77 1HB PRO 77 -6.241 -3.380 -16.139 599 1HG PRO 77 2HG PRO 77 -8.461 -4.784 -15.739 600 2HG PRO 77 1HG PRO 77 -6.931 -5.599 -16.117 601 1HD PRO 77 2HD PRO 77 -8.356 -5.353 -13.507 602 2HD PRO 77 1HD PRO 77 -7.409 -6.709 -14.151 603 H ASN 78 H ASN 78 -6.844 -3.323 -12.025 604 HA ASN 78 HA ASN 78 -5.013 -1.131 -11.412 605 1HB ASN 78 2HB ASN 78 -6.868 0.423 -10.978 606 2HB ASN 78 1HB ASN 78 -6.844 -0.086 -12.664 607 1HD2 ASN 78 1HD2 ASN 78 -8.770 0.416 -10.047 608 2HD2 ASN 78 2HD2 ASN 78 -10.125 -0.558 -10.496 609 H PHE 79 H PHE 79 -4.639 -3.196 -9.987 610 HA PHE 79 HA PHE 79 -5.601 -2.534 -7.376 611 1HB PHE 79 2HB PHE 79 -7.392 -4.044 -8.554 612 2HB PHE 79 1HB PHE 79 -6.259 -5.340 -8.192 613 HD1 PHE 79 HD1 PHE 79 -5.550 -5.658 -5.763 614 HD2 PHE 79 HD2 PHE 79 -8.875 -3.272 -6.936 615 HE1 PHE 79 HE1 PHE 79 -6.470 -5.825 -3.484 616 HE2 PHE 79 HE2 PHE 79 -9.797 -3.433 -4.662 617 HZ PHE 79 HZ PHE 79 -8.595 -4.710 -2.933 618 H HIS 80 H HIS 80 -3.630 -2.506 -6.454 619 HA HIS 80 HA HIS 80 -1.778 -4.706 -6.998 620 1HB HIS 80 2HB HIS 80 -1.472 -1.900 -6.206 621 2HB HIS 80 1HB HIS 80 -0.410 -3.009 -5.347 622 HD1 HIS 80 HD1 HIS 80 -0.301 -0.938 -8.160 623 HD2 HIS 80 HD2 HIS 80 0.789 -4.894 -7.503 624 HE1 HIS 80 HE1 HIS 80 1.317 -1.503 -9.998 625 HE2 HIS 80 HE2 HIS 80 1.928 -3.916 -9.609 626 H GLN 81 H GLN 81 -1.818 -6.379 -5.685 627 HA GLN 81 HA GLN 81 -2.464 -5.935 -2.845 628 1HB GLN 81 2HB GLN 81 -4.309 -7.107 -3.712 629 2HB GLN 81 1HB GLN 81 -3.300 -8.115 -4.740 630 1HG GLN 81 2HG GLN 81 -2.398 -9.167 -2.641 631 2HG GLN 81 1HG GLN 81 -3.653 -8.296 -1.763 632 1HE2 GLN 81 1HE2 GLN 81 -3.196 -11.173 -2.136 633 2HE2 GLN 81 2HE2 GLN 81 -4.659 -11.794 -2.809 634 H TRP 82 H TRP 82 -1.267 -7.046 -1.309 635 HA TRP 82 HA TRP 82 0.828 -8.849 -2.257 636 1HB TRP 82 2HB TRP 82 2.545 -7.703 -0.868 637 2HB TRP 82 1HB TRP 82 2.019 -6.768 -2.253 638 HD1 TRP 82 HD1 TRP 82 2.080 -6.735 1.537 639 HE1 TRP 82 HE1 TRP 82 1.333 -4.418 2.365 640 HE3 TRP 82 HE3 TRP 82 0.430 -4.785 -2.891 641 HZ2 TRP 82 HZ2 TRP 82 0.189 -2.076 1.288 642 HZ3 TRP 82 HZ3 TRP 82 -0.477 -2.498 -2.905 643 HH2 TRP 82 HH2 TRP 82 -0.592 -1.175 -0.858 644 H ARG 83 H ARG 83 1.699 -10.222 -0.730 645 HA ARG 83 HA ARG 83 0.176 -10.417 1.782 646 1HB ARG 83 2HB ARG 83 -0.109 -12.289 0.093 647 2HB ARG 83 1HB ARG 83 1.587 -12.675 0.349 648 1HG ARG 83 2HG ARG 83 1.090 -13.021 2.756 649 2HG ARG 83 1HG ARG 83 -0.619 -12.776 2.393 650 1HD ARG 83 2HD ARG 83 -0.373 -15.094 2.369 651 2HD ARG 83 1HD ARG 83 -0.316 -14.648 0.664 652 HE ARG 83 HE ARG 83 2.272 -14.788 1.905 653 1HH1 ARG 83 2HH1 ARG 83 -0.230 -16.615 0.298 654 2HH1 ARG 83 1HH1 ARG 83 0.848 -17.861 -0.234 655 1HH2 ARG 83 1HH2 ARG 83 3.691 -16.426 1.207 656 2HH2 ARG 83 2HH2 ARG 83 3.075 -17.754 0.283 657 H ASP 84 H ASP 84 1.353 -9.873 3.506 658 HA ASP 84 HA ASP 84 4.251 -9.903 3.290 659 1HB ASP 84 2HB ASP 84 3.718 -7.871 4.168 660 2HB ASP 84 1HB ASP 84 2.273 -8.462 4.958 661 H ALA 85 H ALA 85 2.321 -10.480 6.198 662 HA ALA 85 HA ALA 85 4.010 -12.816 6.749 663 1HB ALA 85 1HB ALA 85 4.202 -11.602 8.650 664 2HB ALA 85 2HB ALA 85 2.716 -12.455 9.066 665 3HB ALA 85 3HB ALA 85 2.642 -10.811 8.434 666 H ARG 86 H ARG 86 0.655 -11.895 7.490 667 HA ARG 86 HA ARG 86 -0.245 -14.481 6.441 668 1HB ARG 86 2HB ARG 86 0.010 -14.908 8.793 669 2HB ARG 86 1HB ARG 86 -0.839 -13.426 9.207 670 1HG ARG 86 2HG ARG 86 -2.892 -14.323 8.814 671 2HG ARG 86 1HG ARG 86 -2.297 -15.425 7.572 672 1HD ARG 86 2HD ARG 86 -1.481 -16.949 9.158 673 2HD ARG 86 1HD ARG 86 -1.559 -15.764 10.461 674 HE ARG 86 HE ARG 86 -3.771 -16.285 10.766 675 1HH1 ARG 86 2HH1 ARG 86 -2.695 -17.612 7.723 676 2HH1 ARG 86 1HH1 ARG 86 -4.142 -18.527 7.467 677 1HH2 ARG 86 1HH2 ARG 86 -5.674 -17.489 10.432 678 2HH2 ARG 86 2HH2 ARG 86 -5.834 -18.457 9.005 679 H GLN 87 H GLN 87 -0.622 -11.176 6.563 680 HA GLN 87 HA GLN 87 -3.480 -11.330 5.904 681 1HB GLN 87 2HB GLN 87 -2.184 -9.657 7.662 682 2HB GLN 87 1HB GLN 87 -2.319 -8.657 6.223 683 1HG GLN 87 2HG GLN 87 -4.379 -8.164 6.859 684 2HG GLN 87 1HG GLN 87 -4.823 -9.834 6.507 685 1HE2 GLN 87 1HE2 GLN 87 -2.832 -8.444 9.080 686 2HE2 GLN 87 2HE2 GLN 87 -3.779 -9.060 10.384 687 H VAL 88 H VAL 88 -4.023 -9.332 4.382 688 HA VAL 88 HA VAL 88 -2.061 -9.174 2.213 689 HB VAL 88 HB VAL 88 -4.930 -9.603 1.489 690 1HG1 VAL 88 1HG1 VAL 88 -2.719 -10.729 -0.092 691 2HG1 VAL 88 2HG1 VAL 88 -2.764 -8.970 0.022 692 3HG1 VAL 88 3HG1 VAL 88 -4.157 -9.847 -0.607 693 1HG2 VAL 88 1HG2 VAL 88 -2.953 -11.765 2.186 694 2HG2 VAL 88 2HG2 VAL 88 -4.378 -12.044 1.184 695 3HG2 VAL 88 3HG2 VAL 88 -4.566 -11.513 2.855 696 H TRP 89 H TRP 89 -1.720 -7.092 1.866 697 HA TRP 89 HA TRP 89 -3.788 -5.155 2.549 698 1HB TRP 89 2HB TRP 89 -0.849 -4.961 1.973 699 2HB TRP 89 1HB TRP 89 -1.862 -3.522 2.010 700 HD1 TRP 89 HD1 TRP 89 -0.443 -6.253 4.297 701 HE1 TRP 89 HE1 TRP 89 -0.654 -5.462 6.738 702 HE3 TRP 89 HE3 TRP 89 -3.190 -2.009 3.542 703 HZ2 TRP 89 HZ2 TRP 89 -1.833 -3.317 8.157 704 HZ3 TRP 89 HZ3 TRP 89 -3.814 -0.642 5.490 705 HH2 TRP 89 HH2 TRP 89 -3.156 -1.284 7.747 706 H GLY 90 H GLY 90 -5.196 -5.582 0.779 707 1HA GLY 90 2HA GLY 90 -4.356 -5.329 -1.929 708 2HA GLY 90 1HA GLY 90 -6.009 -5.308 -1.355 709 H LEU 91 H LEU 91 -5.030 -3.667 -3.431 710 HA LEU 91 HA LEU 91 -5.612 -1.060 -2.251 711 1HB LEU 91 2HB LEU 91 -3.041 -1.841 -3.353 712 2HB LEU 91 1HB LEU 91 -3.711 -0.465 -4.193 713 HG LEU 91 HG LEU 91 -2.266 0.310 -2.446 714 1HD1 LEU 91 1HD1 LEU 91 -3.624 1.999 -1.961 715 2HD1 LEU 91 2HD1 LEU 91 -4.696 0.964 -1.022 716 3HD1 LEU 91 3HD1 LEU 91 -4.901 1.089 -2.767 717 1HD2 LEU 91 1HD2 LEU 91 -3.947 -0.838 -0.287 718 2HD2 LEU 91 2HD2 LEU 91 -2.237 -0.427 -0.290 719 3HD2 LEU 91 3HD2 LEU 91 -2.791 -1.900 -1.090 720 H ASN 92 H ASN 92 -7.453 -0.567 -3.291 721 HA ASN 92 HA ASN 92 -7.701 -1.243 -6.125 722 1HB ASN 92 2HB ASN 92 -9.569 -1.500 -4.292 723 2HB ASN 92 1HB ASN 92 -9.835 0.212 -4.608 724 1HD2 ASN 92 1HD2 ASN 92 -9.117 0.045 -7.432 725 2HD2 ASN 92 2HD2 ASN 92 -10.433 -0.762 -8.209 726 H PHE 93 H PHE 93 -6.608 0.129 -7.338 727 HA PHE 93 HA PHE 93 -6.233 2.873 -6.761 728 1HB PHE 93 2HB PHE 93 -5.861 1.345 -9.339 729 2HB PHE 93 1HB PHE 93 -5.270 2.969 -9.028 730 HD1 PHE 93 HD1 PHE 93 -3.702 3.233 -6.960 731 HD2 PHE 93 HD2 PHE 93 -4.509 -0.465 -8.898 732 HE1 PHE 93 HE1 PHE 93 -1.665 2.284 -5.983 733 HE2 PHE 93 HE2 PHE 93 -2.461 -1.420 -7.931 734 HZ PHE 93 HZ PHE 93 -1.037 -0.044 -6.472 735 H GLY 94 H GLY 94 -6.875 4.665 -8.123 736 1HA GLY 94 2HA GLY 94 -9.636 4.312 -9.122 737 2HA GLY 94 1HA GLY 94 -9.042 5.782 -8.366 738 H SER 95 H SER 95 -6.885 4.196 -10.509 739 HA SER 95 HA SER 95 -7.681 5.220 -12.981 740 1HB SER 95 2HB SER 95 -6.991 7.321 -11.413 741 2HB SER 95 1HB SER 95 -5.423 6.931 -12.120 742 HG SER 95 HG SER 95 -7.822 7.413 -13.563 743 H LYS 96 H LYS 96 -5.918 5.131 -14.609 744 HA LYS 96 HA LYS 96 -4.343 2.800 -14.219 745 1HB LYS 96 2HB LYS 96 -4.641 4.808 -16.421 746 2HB LYS 96 1HB LYS 96 -3.321 3.648 -16.479 747 1HG LYS 96 2HG LYS 96 -4.672 1.954 -17.032 748 2HG LYS 96 1HG LYS 96 -5.929 2.458 -15.902 749 1HD LYS 96 2HD LYS 96 -5.451 4.049 -18.384 750 2HD LYS 96 1HD LYS 96 -6.364 2.542 -18.478 751 1HE LYS 96 2HE LYS 96 -7.966 3.359 -16.874 752 2HE LYS 96 1HE LYS 96 -7.012 4.819 -16.611 753 1HZ LYS 96 1HZ LYS 96 -8.657 5.494 -18.071 754 2HZ LYS 96 2HZ LYS 96 -8.612 4.062 -18.970 755 3HZ LYS 96 3HZ LYS 96 -7.357 5.185 -19.109 756 H GLU 97 H GLU 97 -3.715 6.222 -13.967 757 HA GLU 97 HA GLU 97 -0.874 6.047 -14.018 758 1HB GLU 97 2HB GLU 97 -2.595 8.102 -14.215 759 2HB GLU 97 1HB GLU 97 -2.166 8.257 -12.517 760 1HG GLU 97 2HG GLU 97 -0.106 9.005 -12.973 761 2HG GLU 97 1HG GLU 97 0.114 7.884 -14.316 762 H ASP 98 H ASP 98 -3.232 6.345 -11.367 763 HA ASP 98 HA ASP 98 -1.522 6.425 -9.212 764 1HB ASP 98 2HB ASP 98 -4.088 4.826 -9.273 765 2HB ASP 98 1HB ASP 98 -3.336 5.584 -7.873 766 H ALA 99 H ALA 99 -3.062 3.457 -10.435 767 HA ALA 99 HA ALA 99 -1.676 1.600 -8.970 768 1HB ALA 99 1HB ALA 99 -2.434 -0.015 -10.465 769 2HB ALA 99 2HB ALA 99 -2.347 1.084 -11.841 770 3HB ALA 99 3HB ALA 99 -3.610 1.289 -10.626 771 H ALA 100 H ALA 100 -0.630 3.239 -11.911 772 HA ALA 100 HA ALA 100 1.701 1.626 -12.279 773 1HB ALA 100 1HB ALA 100 1.198 2.577 -14.270 774 2HB ALA 100 2HB ALA 100 2.295 3.827 -13.684 775 3HB ALA 100 3HB ALA 100 0.551 4.042 -13.532 776 H GLN 101 H GLN 101 0.994 4.626 -10.605 777 HA GLN 101 HA GLN 101 3.741 5.290 -10.118 778 1HB GLN 101 2HB GLN 101 1.829 6.934 -10.233 779 2HB GLN 101 1HB GLN 101 1.319 6.341 -8.660 780 1HG GLN 101 2HG GLN 101 2.637 8.428 -8.560 781 2HG GLN 101 1HG GLN 101 3.343 7.099 -7.641 782 1HE2 GLN 101 1HE2 GLN 101 5.458 7.096 -7.782 783 2HE2 GLN 101 2HE2 GLN 101 6.393 7.477 -9.184 784 H PHE 102 H PHE 102 1.128 3.832 -8.223 785 HA PHE 102 HA PHE 102 2.379 3.717 -5.753 786 1HB PHE 102 2HB PHE 102 -0.025 3.073 -6.416 787 2HB PHE 102 1HB PHE 102 0.628 1.481 -6.745 788 HD1 PHE 102 HD1 PHE 102 0.059 0.004 -5.060 789 HD2 PHE 102 HD2 PHE 102 1.195 3.983 -4.053 790 HE1 PHE 102 HE1 PHE 102 -0.149 -0.540 -2.673 791 HE2 PHE 102 HE2 PHE 102 0.992 3.442 -1.666 792 HZ PHE 102 HZ PHE 102 0.318 1.176 -0.970 793 H ALA 103 H ALA 103 2.419 1.257 -8.330 794 HA ALA 103 HA ALA 103 4.177 -0.497 -6.957 795 1HB ALA 103 1HB ALA 103 2.872 -0.381 -9.538 796 2HB ALA 103 2HB ALA 103 3.346 -1.780 -8.576 797 3HB ALA 103 3HB ALA 103 4.512 -1.018 -9.657 798 H ALA 104 H ALA 104 4.645 2.251 -9.038 799 HA ALA 104 HA ALA 104 7.201 1.952 -9.975 800 1HB ALA 104 1HB ALA 104 7.345 4.328 -10.111 801 2HB ALA 104 2HB ALA 104 6.151 4.532 -8.828 802 3HB ALA 104 3HB ALA 104 5.662 3.883 -10.394 803 H GLY 105 H GLY 105 6.452 3.717 -6.972 804 1HA GLY 105 2HA GLY 105 9.132 3.734 -6.056 805 2HA GLY 105 1HA GLY 105 7.712 4.066 -5.078 806 H MET 106 H MET 106 6.342 1.767 -5.080 807 HA MET 106 HA MET 106 7.503 0.236 -3.120 808 1HB MET 106 2HB MET 106 5.144 0.070 -3.639 809 2HB MET 106 1HB MET 106 5.504 -0.606 -5.223 810 1HG MET 106 2HG MET 106 4.962 -2.478 -4.025 811 2HG MET 106 1HG MET 106 6.712 -2.455 -3.873 812 1HE MET 106 1HE MET 106 6.193 -4.163 -2.384 813 2HE MET 106 2HE MET 106 4.901 -4.090 -1.183 814 3HE MET 106 3HE MET 106 6.573 -3.807 -0.698 815 H ALA 107 H ALA 107 7.234 -0.725 -6.531 816 HA ALA 107 HA ALA 107 8.722 -3.001 -6.556 817 1HB ALA 107 1HB ALA 107 9.477 -2.219 -8.901 818 2HB ALA 107 2HB ALA 107 8.458 -0.814 -8.590 819 3HB ALA 107 3HB ALA 107 7.753 -2.430 -8.595 820 H SER 108 H SER 108 9.883 0.311 -6.419 821 HA SER 108 HA SER 108 12.641 -0.284 -6.759 822 1HB SER 108 2HB SER 108 11.127 2.031 -6.595 823 2HB SER 108 1HB SER 108 12.076 2.066 -5.109 824 HG SER 108 HG SER 108 12.962 2.941 -7.251 825 H ALA 109 H ALA 109 10.506 0.010 -3.961 826 HA ALA 109 HA ALA 109 12.464 -0.167 -1.944 827 1HB ALA 109 1HB ALA 109 10.546 0.400 -0.915 828 2HB ALA 109 2HB ALA 109 10.285 -1.341 -0.798 829 3HB ALA 109 3HB ALA 109 9.546 -0.423 -2.111 830 H LEU 110 H LEU 110 10.334 -2.700 -3.244 831 HA LEU 110 HA LEU 110 11.486 -4.850 -1.889 832 1HB LEU 110 2HB LEU 110 10.328 -5.132 -4.642 833 2HB LEU 110 1HB LEU 110 10.249 -6.256 -3.299 834 HG LEU 110 HG LEU 110 8.833 -3.596 -3.261 835 1HD1 LEU 110 1HD1 LEU 110 7.205 -5.976 -3.710 836 2HD1 LEU 110 2HD1 LEU 110 8.256 -5.557 -5.063 837 3HD1 LEU 110 3HD1 LEU 110 7.107 -4.373 -4.440 838 1HD2 LEU 110 1HD2 LEU 110 9.183 -5.769 -1.394 839 2HD2 LEU 110 2HD2 LEU 110 7.477 -5.501 -1.753 840 3HD2 LEU 110 3HD2 LEU 110 8.470 -4.174 -1.149 841 H GLU 111 H GLU 111 12.643 -3.043 -4.570 842 HA GLU 111 HA GLU 111 14.492 -5.128 -5.418 843 1HB GLU 111 2HB GLU 111 13.420 -2.656 -6.554 844 2HB GLU 111 1HB GLU 111 15.139 -2.875 -6.851 845 1HG GLU 111 2HG GLU 111 14.629 -5.145 -7.694 846 2HG GLU 111 1HG GLU 111 12.917 -4.757 -7.559 847 H ALA 112 H ALA 112 14.422 -2.313 -3.462 848 HA ALA 112 HA ALA 112 17.349 -2.159 -3.376 849 1HB ALA 112 1HB ALA 112 16.767 0.022 -3.482 850 2HB ALA 112 2HB ALA 112 16.556 -0.167 -1.740 851 3HB ALA 112 3HB ALA 112 15.159 -0.264 -2.814 852 H LEU 113 H LEU 113 14.994 -3.869 -1.953 853 HA LEU 113 HA LEU 113 16.288 -3.844 0.686 854 1HB LEU 113 2HB LEU 113 13.564 -3.697 -0.128 855 2HB LEU 113 1HB LEU 113 13.792 -5.209 0.709 856 HG LEU 113 HG LEU 113 13.039 -3.155 2.068 857 1HD1 LEU 113 1HD1 LEU 113 15.454 -4.231 3.372 858 2HD1 LEU 113 2HD1 LEU 113 14.315 -5.433 2.768 859 3HD1 LEU 113 3HD1 LEU 113 13.779 -4.211 3.922 860 1HD2 LEU 113 1HD2 LEU 113 15.261 -2.008 0.937 861 2HD2 LEU 113 2HD2 LEU 113 15.825 -2.431 2.552 862 3HD2 LEU 113 3HD2 LEU 113 14.402 -1.408 2.355 863 H GLU 114 H GLU 114 15.292 -5.764 -2.048 864 HA GLU 114 HA GLU 114 16.226 -8.219 -0.756 865 1HB GLU 114 2HB GLU 114 14.817 -7.828 -3.404 866 2HB GLU 114 1HB GLU 114 15.236 -9.378 -2.689 867 1HG GLU 114 2HG GLU 114 13.785 -8.055 -0.720 868 2HG GLU 114 1HG GLU 114 12.946 -7.692 -2.226 869 H GLY 115 HN GLY 115 16.993 -5.961 -3.308 870 1HA GLY 115 2HA GLY 115 19.611 -6.154 -3.519 871 2HA GLY 115 1HA GLY 115 19.158 -7.669 -4.285
Contact the webmaster for help, if required. Sunday, June 16, 2024 2:21:59 PM GMT (wattos1)