NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
560010 | 2m52 | 19034 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 10.894 11.501 5.640 2 HA2 GLY 1 1HA GLY 1 13.358 9.855 5.583 3 HA3 GLY 1 2HA GLY 1 12.231 9.937 4.221 4 H GLY 2 H GLY 2 12.589 11.442 2.706 5 HA2 GLY 2 1HA GLY 2 14.500 13.663 3.182 6 HA3 GLY 2 2HA GLY 2 13.992 12.979 1.625 7 H HIS 3 H HIS 3 13.292 14.929 0.763 8 HA HIS 3 HA HIS 3 11.471 16.758 1.928 9 HB2 HIS 3 1HB HIS 3 11.121 17.474 -0.415 10 HB3 HIS 3 2HB HIS 3 12.825 17.321 -0.014 11 HD1 HIS 3 1HD HIS 3 14.177 15.386 -1.341 12 HD2 HIS 3 2HD HIS 3 10.101 15.860 -2.271 13 HE1 HIS 3 1HE HIS 3 13.787 14.125 -3.523 14 HA PRO 4 HA PRO 4 7.588 14.540 1.309 15 HB2 PRO 4 1HB PRO 4 5.797 16.594 1.200 16 HB3 PRO 4 2HB PRO 4 6.626 16.160 2.717 17 HG2 PRO 4 1HG PRO 4 7.342 18.351 0.758 18 HG3 PRO 4 2HG PRO 4 7.266 18.459 2.542 19 HD2 PRO 4 1HD PRO 4 9.599 18.082 1.168 20 HD3 PRO 4 2HD PRO 4 9.332 17.434 2.806 21 H THR 5 H THR 5 6.012 14.257 -0.362 22 HA THR 5 HA THR 5 6.300 15.734 -2.890 23 HB THR 5 HB THR 5 6.541 13.601 -4.183 24 HG1 THR 5 1HG THR 5 6.521 11.711 -3.023 25 HG21 THR 5 3HG2 THR 5 8.653 12.654 -3.403 26 HG22 THR 5 1HG2 THR 5 8.534 13.458 -1.862 27 HG23 THR 5 2HG2 THR 5 8.722 14.421 -3.356 28 H GLU 6 H GLU 6 4.289 14.189 -4.237 29 HA GLU 6 HA GLU 6 1.974 14.558 -2.423 30 HB2 GLU 6 1HB GLU 6 0.591 14.597 -4.308 31 HB3 GLU 6 2HB GLU 6 1.999 15.600 -4.644 32 HG2 GLU 6 1HG GLU 6 2.991 13.622 -5.864 33 HG3 GLU 6 2HG GLU 6 1.390 12.861 -5.776 34 H VAL 7 H VAL 7 4.137 11.984 -2.981 35 HA VAL 7 HA VAL 7 1.963 10.006 -2.887 36 HB VAL 7 HB VAL 7 3.525 8.322 -3.027 37 HG11 VAL 7 1HG1 VAL 7 3.379 9.533 -5.143 38 HG12 VAL 7 2HG1 VAL 7 4.750 10.562 -4.713 39 HG13 VAL 7 3HG1 VAL 7 4.988 8.837 -4.947 40 HG21 VAL 7 3HG2 VAL 7 5.874 8.489 -2.743 41 HG22 VAL 7 1HG2 VAL 7 5.554 10.009 -1.829 42 HG23 VAL 7 2HG2 VAL 7 4.835 8.474 -1.313 43 H LEU 8 H LEU 8 2.038 8.374 -1.133 44 HA LEU 8 HA LEU 8 2.927 9.312 1.547 45 HB2 LEU 8 1HB LEU 8 0.512 9.910 1.157 46 HB3 LEU 8 2HB LEU 8 0.208 8.257 0.668 47 HG LEU 8 HG LEU 8 0.926 7.524 3.011 48 HD11 LEU 8 1HD1 LEU 8 0.706 10.529 3.422 49 HD12 LEU 8 2HD1 LEU 8 2.130 9.520 3.749 50 HD13 LEU 8 3HD1 LEU 8 0.658 9.346 4.743 51 HD21 LEU 8 3HD2 LEU 8 -1.211 8.050 3.996 52 HD22 LEU 8 1HD2 LEU 8 -1.466 7.738 2.262 53 HD23 LEU 8 2HD2 LEU 8 -1.469 9.414 2.857 54 H CYS 9 H CYS 9 3.960 7.554 2.538 55 HA CYS 9 HA CYS 9 3.630 4.827 1.353 56 HB2 CYS 9 1HB CYS 9 5.962 5.589 1.354 57 HB3 CYS 9 2HB CYS 9 5.854 6.004 3.065 58 HG CYS 9 HG CYS 9 5.476 3.047 1.609 59 H LEU 10 H LEU 10 2.414 3.443 2.585 60 HA LEU 10 HA LEU 10 2.052 3.975 5.458 61 HB2 LEU 10 1HB LEU 10 0.074 2.607 3.610 62 HB3 LEU 10 2HB LEU 10 -0.151 3.310 5.212 63 HG LEU 10 HG LEU 10 0.471 5.588 3.977 64 HD11 LEU 10 1HD1 LEU 10 -0.498 5.646 1.679 65 HD12 LEU 10 2HD1 LEU 10 -0.692 3.886 1.716 66 HD13 LEU 10 3HD1 LEU 10 0.910 4.613 1.699 67 HD21 LEU 10 3HD2 LEU 10 -2.136 4.090 3.857 68 HD22 LEU 10 1HD2 LEU 10 -1.985 5.825 3.506 69 HD23 LEU 10 2HD2 LEU 10 -1.550 5.229 5.120 70 H MET 11 H MET 11 1.742 2.054 6.746 71 HA MET 11 HA MET 11 2.484 -0.535 5.519 72 HB2 MET 11 1HB MET 11 3.619 0.598 8.114 73 HB3 MET 11 2HB MET 11 3.945 -0.984 7.434 74 HG2 MET 11 1HG MET 11 5.655 -0.204 6.318 75 HG3 MET 11 2HG MET 11 4.668 0.895 5.402 76 HE1 MET 11 3HE MET 11 3.679 3.099 7.356 77 HE2 MET 11 1HE MET 11 5.010 4.270 7.402 78 HE3 MET 11 2HE MET 11 4.530 3.536 5.855 79 H ASN 12 H ASN 12 1.772 -2.308 6.850 80 HA ASN 12 HA ASN 12 0.605 -3.492 8.345 81 HB2 ASN 12 1HB ASN 12 -0.323 -1.057 9.822 82 HB3 ASN 12 2HB ASN 12 -0.139 -2.693 10.417 83 HD21 ASN 12 1HD2 ASN 12 0.724 -0.854 12.029 84 HD22 ASN 12 2HD2 ASN 12 2.451 -0.576 11.976 85 H MET 13 H MET 13 -0.609 -2.159 5.875 86 HA MET 13 HA MET 13 -3.515 -2.294 6.559 87 HB2 MET 13 1HB MET 13 -1.904 -1.569 4.129 88 HB3 MET 13 2HB MET 13 -3.416 -2.440 3.861 89 HG2 MET 13 1HG MET 13 -4.461 -0.556 3.888 90 HG3 MET 13 2HG MET 13 -4.151 -0.471 5.615 91 HE1 MET 13 3HE MET 13 -1.510 1.939 6.152 92 HE2 MET 13 1HE MET 13 -2.019 0.293 6.515 93 HE3 MET 13 2HE MET 13 -0.640 0.557 5.423 94 H VAL 14 H VAL 14 -1.740 -3.850 3.995 95 HA VAL 14 HA VAL 14 -3.218 -6.253 4.267 96 HB VAL 14 HB VAL 14 -1.960 -6.742 2.124 97 HG11 VAL 14 1HG1 VAL 14 -3.065 -4.869 0.850 98 HG12 VAL 14 2HG1 VAL 14 -4.119 -5.535 2.088 99 HG13 VAL 14 3HG1 VAL 14 -3.320 -4.000 2.356 100 HG21 VAL 14 3HG2 VAL 14 0.153 -5.496 2.656 101 HG22 VAL 14 1HG2 VAL 14 -0.549 -5.049 1.101 102 HG23 VAL 14 2HG2 VAL 14 -0.731 -3.964 2.468 103 H LEU 15 H LEU 15 -2.060 -8.414 3.886 104 HA LEU 15 HA LEU 15 0.382 -8.650 5.606 105 HB2 LEU 15 1HB LEU 15 -2.055 -10.425 5.294 106 HB3 LEU 15 2HB LEU 15 -0.554 -11.081 5.880 107 HG LEU 15 HG LEU 15 -2.268 -8.962 7.214 108 HD11 LEU 15 1HD1 LEU 15 -1.303 -11.733 8.096 109 HD12 LEU 15 2HD1 LEU 15 -2.914 -11.357 7.462 110 HD13 LEU 15 3HD1 LEU 15 -2.401 -10.661 8.998 111 HD21 LEU 15 3HD2 LEU 15 0.508 -9.911 8.072 112 HD22 LEU 15 1HD2 LEU 15 -0.629 -8.998 9.090 113 HD23 LEU 15 2HD2 LEU 15 0.024 -8.246 7.650 114 HA PRO 16 HA PRO 16 2.416 -10.296 2.160 115 HB2 PRO 16 1HB PRO 16 4.090 -12.258 3.169 116 HB3 PRO 16 2HB PRO 16 4.319 -10.512 3.493 117 HG2 PRO 16 1HG PRO 16 2.917 -12.575 5.228 118 HG3 PRO 16 2HG PRO 16 4.167 -11.384 5.723 119 HD2 PRO 16 1HD PRO 16 1.517 -10.975 6.087 120 HD3 PRO 16 2HD PRO 16 2.592 -9.622 5.673 121 H GLU 17 H GLU 17 0.036 -12.106 3.656 122 HA GLU 17 HA GLU 17 0.029 -14.247 1.613 123 HB2 GLU 17 1HB GLU 17 -0.651 -15.756 3.407 124 HB3 GLU 17 2HB GLU 17 0.948 -15.052 3.650 125 HG2 GLU 17 1HG GLU 17 -0.073 -13.382 5.266 126 HG3 GLU 17 2HG GLU 17 -1.625 -14.205 5.069 127 H GLU 18 H GLU 18 -1.553 -11.538 2.014 128 HA GLU 18 HA GLU 18 -4.240 -12.822 1.774 129 HB2 GLU 18 1HB GLU 18 -3.492 -10.308 3.278 130 HB3 GLU 18 2HB GLU 18 -5.154 -10.740 2.825 131 HG2 GLU 18 1HG GLU 18 -4.852 -12.891 4.125 132 HG3 GLU 18 2HG GLU 18 -3.323 -12.249 4.734 133 H LEU 19 H LEU 19 -1.880 -11.071 0.149 134 HA LEU 19 HA LEU 19 -3.684 -9.373 -1.490 135 HB2 LEU 19 1HB LEU 19 -0.751 -10.051 -1.818 136 HB3 LEU 19 2HB LEU 19 -1.628 -8.841 -2.707 137 HG LEU 19 HG LEU 19 -1.227 -8.699 0.313 138 HD11 LEU 19 1HD1 LEU 19 0.420 -6.982 -0.123 139 HD12 LEU 19 2HD1 LEU 19 0.241 -7.215 -1.878 140 HD13 LEU 19 3HD1 LEU 19 0.921 -8.508 -0.863 141 HD21 LEU 19 3HD2 LEU 19 -2.443 -6.883 -1.826 142 HD22 LEU 19 1HD2 LEU 19 -1.878 -6.265 -0.278 143 HD23 LEU 19 2HD2 LEU 19 -3.192 -7.458 -0.323 144 H LEU 20 H LEU 20 -4.267 -12.262 -1.489 145 HA LEU 20 HA LEU 20 -3.222 -13.182 -4.151 146 HB2 LEU 20 1HB LEU 20 -4.463 -14.817 -1.914 147 HB3 LEU 20 2HB LEU 20 -3.958 -15.404 -3.488 148 HG LEU 20 HG LEU 20 -2.225 -16.049 -2.130 149 HD11 LEU 20 1HD1 LEU 20 -1.177 -13.394 -3.178 150 HD12 LEU 20 2HD1 LEU 20 -1.377 -14.861 -4.160 151 HD13 LEU 20 3HD1 LEU 20 -0.234 -14.833 -2.779 152 HD21 LEU 20 3HD2 LEU 20 -1.142 -14.842 -0.416 153 HD22 LEU 20 1HD2 LEU 20 -2.880 -14.656 -0.158 154 HD23 LEU 20 2HD2 LEU 20 -1.932 -13.323 -0.847 155 H ASP 21 H ASP 21 -6.280 -12.688 -2.363 156 HA ASP 21 HA ASP 21 -7.968 -13.720 -4.426 157 HB2 ASP 21 1HB ASP 21 -8.403 -11.969 -1.998 158 HB3 ASP 21 2HB ASP 21 -9.702 -12.256 -3.139 159 H ASP 22 H ASP 22 -8.678 -12.767 -6.262 160 HA ASP 22 HA ASP 22 -7.675 -10.161 -7.125 161 HB2 ASP 22 1HB ASP 22 -8.991 -12.513 -8.374 162 HB3 ASP 22 2HB ASP 22 -9.474 -10.966 -9.045 163 H GLU 23 H GLU 23 -10.685 -11.521 -5.882 164 HA GLU 23 HA GLU 23 -12.278 -9.135 -6.625 165 HB2 GLU 23 1HB GLU 23 -13.116 -11.716 -5.231 166 HB3 GLU 23 2HB GLU 23 -14.195 -10.444 -5.837 167 HG2 GLU 23 1HG GLU 23 -13.127 -10.891 -8.070 168 HG3 GLU 23 2HG GLU 23 -12.474 -12.378 -7.404 169 H GLU 24 H GLU 24 -10.116 -9.277 -4.421 170 HA GLU 24 HA GLU 24 -11.715 -8.003 -2.245 171 HB2 GLU 24 1HB GLU 24 -11.062 -10.134 -1.444 172 HB3 GLU 24 2HB GLU 24 -9.474 -10.043 -2.227 173 HG2 GLU 24 1HG GLU 24 -8.609 -8.533 -0.716 174 HG3 GLU 24 2HG GLU 24 -10.201 -8.084 -0.053 175 H TYR 25 H TYR 25 -8.478 -8.440 -3.708 176 HA TYR 25 HA TYR 25 -7.139 -6.211 -2.961 177 HB2 TYR 25 1HB TYR 25 -6.245 -7.987 -4.321 178 HB3 TYR 25 2HB TYR 25 -7.369 -7.650 -5.635 179 HD1 TYR 25 1HD TYR 25 -7.080 -5.708 -7.104 180 HD2 TYR 25 2HD TYR 25 -4.229 -6.735 -4.014 181 HE1 TYR 25 1HE TYR 25 -5.469 -4.168 -8.152 182 HE2 TYR 25 2HE TYR 25 -2.587 -5.144 -5.104 183 HH TYR 25 HH TYR 25 -3.042 -3.794 -8.218 184 H GLU 26 H GLU 26 -9.521 -6.307 -5.697 185 HA GLU 26 HA GLU 26 -8.918 -3.540 -6.406 186 HB2 GLU 26 1HB GLU 26 -10.226 -5.807 -7.596 187 HB3 GLU 26 2HB GLU 26 -11.432 -4.513 -7.495 188 HG2 GLU 26 1HG GLU 26 -9.771 -2.950 -8.544 189 HG3 GLU 26 2HG GLU 26 -8.590 -4.255 -8.573 190 H GLU 27 H GLU 27 -11.209 -5.042 -4.374 191 HA GLU 27 HA GLU 27 -12.966 -2.764 -3.983 192 HB2 GLU 27 1HB GLU 27 -12.419 -4.934 -1.946 193 HB3 GLU 27 2HB GLU 27 -13.846 -3.918 -2.115 194 HG2 GLU 27 1HG GLU 27 -12.926 -6.169 -3.956 195 HG3 GLU 27 2HG GLU 27 -14.327 -6.139 -2.888 196 H ILE 28 H ILE 28 -10.082 -4.064 -2.296 197 HA ILE 28 HA ILE 28 -9.910 -2.092 -0.265 198 HB ILE 28 HB ILE 28 -7.884 -3.972 -1.507 199 HG12 ILE 28 1HG1 ILE 28 -9.200 -4.023 1.250 200 HG13 ILE 28 2HG1 ILE 28 -9.897 -4.828 -0.145 201 HG21 ILE 28 1HG2 ILE 28 -6.426 -3.556 0.496 202 HG22 ILE 28 2HG2 ILE 28 -6.528 -2.205 -0.616 203 HG23 ILE 28 3HG2 ILE 28 -7.465 -2.171 0.907 204 HD11 ILE 28 3HD1 ILE 28 -8.706 -6.461 1.135 205 HD12 ILE 28 1HD1 ILE 28 -7.841 -6.209 -0.393 206 HD13 ILE 28 2HD1 ILE 28 -7.221 -5.511 1.120 207 H VAL 29 H VAL 29 -8.842 -1.917 -3.661 208 HA VAL 29 HA VAL 29 -7.247 0.464 -3.256 209 HB VAL 29 HB VAL 29 -8.733 -0.406 -5.781 210 HG11 VAL 29 1HG1 VAL 29 -8.067 1.941 -5.904 211 HG12 VAL 29 2HG1 VAL 29 -6.428 1.539 -5.345 212 HG13 VAL 29 3HG1 VAL 29 -6.992 0.990 -6.928 213 HG21 VAL 29 3HG2 VAL 29 -5.863 -0.938 -4.897 214 HG22 VAL 29 1HG2 VAL 29 -7.132 -2.146 -5.133 215 HG23 VAL 29 2HG2 VAL 29 -6.514 -1.272 -6.523 216 H GLU 30 H GLU 30 -10.717 -0.107 -3.991 217 HA GLU 30 HA GLU 30 -11.278 2.696 -4.359 218 HB2 GLU 30 1HB GLU 30 -13.005 0.205 -4.162 219 HB3 GLU 30 2HB GLU 30 -13.658 1.800 -4.503 220 HG2 GLU 30 1HG GLU 30 -11.427 0.659 -6.221 221 HG3 GLU 30 2HG GLU 30 -13.076 0.183 -6.476 222 H ASP 31 H ASP 31 -11.608 0.372 -1.763 223 HA ASP 31 HA ASP 31 -13.139 1.789 0.124 224 HB2 ASP 31 1HB ASP 31 -12.443 -0.572 0.314 225 HB3 ASP 31 2HB ASP 31 -10.763 -0.070 0.499 226 H VAL 32 H VAL 32 -9.666 1.910 -0.541 227 HA VAL 32 HA VAL 32 -9.224 3.909 1.561 228 HB VAL 32 HB VAL 32 -7.413 2.651 -0.550 229 HG11 VAL 32 1HG1 VAL 32 -6.659 4.620 1.651 230 HG12 VAL 32 2HG1 VAL 32 -5.510 3.651 0.689 231 HG13 VAL 32 3HG1 VAL 32 -6.499 4.872 -0.107 232 HG21 VAL 32 3HG2 VAL 32 -8.104 1.140 1.270 233 HG22 VAL 32 1HG2 VAL 32 -6.400 1.570 1.480 234 HG23 VAL 32 2HG2 VAL 32 -7.637 2.339 2.486 235 H ARG 33 H ARG 33 -9.814 3.811 -1.909 236 HA ARG 33 HA ARG 33 -9.003 6.439 -2.510 237 HB2 ARG 33 1HB ARG 33 -9.693 4.655 -4.195 238 HB3 ARG 33 2HB ARG 33 -11.382 5.017 -3.789 239 HG2 ARG 33 1HG ARG 33 -10.917 7.431 -4.450 240 HG3 ARG 33 2HG ARG 33 -9.324 6.889 -5.004 241 HD2 ARG 33 1HD ARG 33 -10.551 5.185 -6.469 242 HD3 ARG 33 2HD ARG 33 -12.056 6.010 -6.068 243 HE ARG 33 HE ARG 33 -10.036 6.750 -7.953 244 HH11 ARG 33 1HH1 ARG 33 -12.406 8.252 -5.780 245 HH12 ARG 33 2HH1 ARG 33 -12.446 9.765 -6.602 246 HH21 ARG 33 1HH2 ARG 33 -10.119 8.718 -9.079 247 HH22 ARG 33 2HH2 ARG 33 -10.999 10.103 -8.480 248 H ASP 34 H ASP 34 -12.204 5.233 -1.404 249 HA ASP 34 HA ASP 34 -13.477 7.787 -1.363 250 HB2 ASP 34 1HB ASP 34 -14.781 5.751 -1.242 251 HB3 ASP 34 2HB ASP 34 -14.014 5.281 0.292 252 H GLU 35 H GLU 35 -11.685 6.012 1.205 253 HA GLU 35 HA GLU 35 -12.339 7.882 3.218 254 HB2 GLU 35 1HB GLU 35 -11.159 6.620 4.656 255 HB3 GLU 35 2HB GLU 35 -11.539 5.443 3.424 256 HG2 GLU 35 1HG GLU 35 -9.200 5.659 2.567 257 HG3 GLU 35 2HG GLU 35 -8.847 6.853 3.806 258 H CYS 36 H CYS 36 -9.435 7.673 1.139 259 HA CYS 36 HA CYS 36 -8.140 9.761 2.728 260 HB2 CYS 36 1HB CYS 36 -7.203 7.592 1.441 261 HB3 CYS 36 2HB CYS 36 -7.054 8.734 0.089 262 HG CYS 36 HG CYS 36 -5.764 8.778 3.166 263 H SER 37 H SER 37 -10.116 9.768 -0.258 264 HA SER 37 HA SER 37 -9.407 12.287 -1.257 265 HB2 SER 37 1HB SER 37 -12.001 10.693 -1.220 266 HB3 SER 37 2HB SER 37 -11.690 12.126 -2.201 267 HG SER 37 HG SER 37 -10.683 9.551 -2.429 268 H LYS 38 H LYS 38 -10.729 11.568 1.850 269 HA LYS 38 HA LYS 38 -12.342 13.923 2.213 270 HB2 LYS 38 1HB LYS 38 -10.846 12.119 4.150 271 HB3 LYS 38 2HB LYS 38 -11.975 13.397 4.621 272 HG2 LYS 38 1HG LYS 38 -13.770 12.341 3.353 273 HG3 LYS 38 2HG LYS 38 -12.714 11.000 2.893 274 HD2 LYS 38 1HD LYS 38 -12.940 9.959 4.881 275 HD3 LYS 38 2HD LYS 38 -12.608 11.447 5.778 276 HE2 LYS 38 1HE LYS 38 -15.099 12.043 4.996 277 HE3 LYS 38 2HE LYS 38 -15.235 10.272 4.909 278 HZ1 LYS 38 3HZ LYS 38 -15.819 11.099 7.090 279 HZ2 LYS 38 1HZ LYS 38 -14.398 11.912 7.226 280 HZ3 LYS 38 2HZ LYS 38 -14.377 10.278 7.245 281 H TYR 39 H TYR 39 -8.975 13.700 1.743 282 HA TYR 39 HA TYR 39 -8.480 16.298 3.178 283 HB2 TYR 39 1HB TYR 39 -6.648 13.926 2.728 284 HB3 TYR 39 2HB TYR 39 -6.145 15.466 3.427 285 HD1 TYR 39 2HD TYR 39 -8.378 12.512 3.930 286 HD2 TYR 39 1HD TYR 39 -6.562 15.985 5.762 287 HE1 TYR 39 2HE TYR 39 -9.422 11.929 6.048 288 HE2 TYR 39 1HE TYR 39 -7.475 15.290 7.966 289 HH TYR 39 HH TYR 39 -10.070 13.190 8.329 290 H GLY 40 H GLY 40 -8.889 15.158 0.065 291 HA2 GLY 40 1HA GLY 40 -7.931 17.181 -1.487 292 HA3 GLY 40 2HA GLY 40 -6.508 16.147 -1.213 293 H LEU 41 H LEU 41 -6.301 15.043 -3.172 294 HA LEU 41 HA LEU 41 -8.493 13.133 -3.653 295 HB2 LEU 41 1HB LEU 41 -8.998 14.954 -5.120 296 HB3 LEU 41 2HB LEU 41 -7.345 15.056 -5.652 297 HG LEU 41 HG LEU 41 -9.083 14.051 -7.223 298 HD11 LEU 41 1HD1 LEU 41 -7.640 12.159 -8.047 299 HD12 LEU 41 2HD1 LEU 41 -6.531 12.507 -6.743 300 HD13 LEU 41 3HD1 LEU 41 -6.887 13.743 -7.949 301 HD21 LEU 41 3HD2 LEU 41 -8.822 11.591 -5.445 302 HD22 LEU 41 1HD2 LEU 41 -9.743 11.733 -6.934 303 HD23 LEU 41 2HD2 LEU 41 -10.231 12.674 -5.514 304 H VAL 42 H VAL 42 -7.630 11.330 -3.441 305 HA VAL 42 HA VAL 42 -4.831 10.656 -3.834 306 HB VAL 42 HB VAL 42 -5.739 9.439 -2.125 307 HG11 VAL 42 1HG1 VAL 42 -7.817 8.132 -2.209 308 HG12 VAL 42 2HG1 VAL 42 -8.111 9.849 -2.380 309 HG13 VAL 42 3HG1 VAL 42 -8.180 8.809 -3.826 310 HG21 VAL 42 3HG2 VAL 42 -6.124 7.524 -4.465 311 HG22 VAL 42 1HG2 VAL 42 -4.544 8.045 -3.877 312 HG23 VAL 42 2HG2 VAL 42 -5.634 7.145 -2.806 313 H LYS 43 H LYS 43 -4.108 10.680 -5.655 314 HA LYS 43 HA LYS 43 -5.346 10.560 -8.250 315 HB2 LYS 43 1HB LYS 43 -3.237 11.695 -7.630 316 HB3 LYS 43 2HB LYS 43 -2.449 10.142 -7.364 317 HG2 LYS 43 1HG LYS 43 -2.549 9.566 -9.666 318 HG3 LYS 43 2HG LYS 43 -3.684 10.883 -10.030 319 HD2 LYS 43 1HD LYS 43 -0.872 11.371 -8.951 320 HD3 LYS 43 2HD LYS 43 -1.195 11.307 -10.670 321 HE2 LYS 43 1HE LYS 43 -2.663 13.194 -8.846 322 HE3 LYS 43 2HE LYS 43 -1.127 13.606 -9.602 323 HZ1 LYS 43 3HZ LYS 43 -3.191 14.316 -10.796 324 HZ2 LYS 43 1HZ LYS 43 -3.419 12.722 -11.238 325 HZ3 LYS 43 2HZ LYS 43 -2.083 13.507 -11.714 326 H SER 44 H SER 44 -3.216 8.181 -6.460 327 HA SER 44 HA SER 44 -4.919 5.960 -7.264 328 HB2 SER 44 1HB SER 44 -3.016 4.876 -8.512 329 HB3 SER 44 2HB SER 44 -3.801 6.200 -9.371 330 HG SER 44 HG SER 44 -1.390 5.959 -9.207 331 H ILE 45 H ILE 45 -3.697 3.818 -6.669 332 HA ILE 45 HA ILE 45 -2.056 4.170 -4.265 333 HB ILE 45 HB ILE 45 -4.493 2.368 -4.447 334 HG12 ILE 45 1HG1 ILE 45 -4.992 3.963 -2.296 335 HG13 ILE 45 2HG1 ILE 45 -4.203 5.136 -3.318 336 HG21 ILE 45 1HG2 ILE 45 -4.044 1.980 -2.027 337 HG22 ILE 45 2HG2 ILE 45 -2.681 1.481 -3.001 338 HG23 ILE 45 3HG2 ILE 45 -2.604 3.018 -2.137 339 HD11 ILE 45 3HD1 ILE 45 -5.884 4.680 -5.107 340 HD12 ILE 45 1HD1 ILE 45 -6.636 3.451 -4.063 341 HD13 ILE 45 2HD1 ILE 45 -6.670 5.147 -3.585 342 H GLU 46 H GLU 46 -0.713 2.416 -3.896 343 HA GLU 46 HA GLU 46 -0.309 0.575 -6.184 344 HB2 GLU 46 1HB GLU 46 1.026 2.627 -6.379 345 HB3 GLU 46 2HB GLU 46 1.807 2.277 -4.835 346 HG2 GLU 46 1HG GLU 46 3.123 1.659 -6.904 347 HG3 GLU 46 2HG GLU 46 2.896 0.336 -5.752 348 H ILE 47 H ILE 47 -0.493 -1.424 -5.496 349 HA ILE 47 HA ILE 47 0.496 -2.273 -2.833 350 HB ILE 47 HB ILE 47 -1.995 -3.380 -4.122 351 HG12 ILE 47 1HG1 ILE 47 -3.153 -2.184 -2.133 352 HG13 ILE 47 2HG1 ILE 47 -1.802 -1.040 -2.236 353 HG21 ILE 47 1HG2 ILE 47 -2.341 -4.341 -1.921 354 HG22 ILE 47 2HG2 ILE 47 -0.704 -4.752 -2.427 355 HG23 ILE 47 3HG2 ILE 47 -0.958 -3.459 -1.251 356 HD11 ILE 47 3HD1 ILE 47 -3.919 -0.420 -3.472 357 HD12 ILE 47 1HD1 ILE 47 -2.486 -0.445 -4.513 358 HD13 ILE 47 2HD1 ILE 47 -3.649 -1.791 -4.557 359 HA PRO 48 HA PRO 48 2.488 -4.960 -6.136 360 HB2 PRO 48 1HB PRO 48 4.758 -5.507 -4.692 361 HB3 PRO 48 2HB PRO 48 4.592 -4.042 -5.697 362 HG2 PRO 48 1HG PRO 48 4.275 -4.331 -2.713 363 HG3 PRO 48 2HG PRO 48 5.028 -2.987 -3.615 364 HD2 PRO 48 1HD PRO 48 2.474 -2.941 -2.620 365 HD3 PRO 48 2HD PRO 48 2.994 -1.982 -4.055 366 H ARG 49 H ARG 49 2.040 -7.110 -6.147 367 HA ARG 49 HA ARG 49 1.313 -8.397 -3.595 368 HB2 ARG 49 1HB ARG 49 0.521 -10.250 -5.385 369 HB3 ARG 49 2HB ARG 49 -0.465 -9.018 -4.661 370 HG2 ARG 49 1HG ARG 49 -0.007 -7.578 -6.689 371 HG3 ARG 49 2HG ARG 49 0.784 -8.982 -7.439 372 HD2 ARG 49 1HD ARG 49 -2.007 -9.273 -6.265 373 HD3 ARG 49 2HD ARG 49 -1.796 -8.295 -7.716 374 HE ARG 49 HE ARG 49 -0.510 -10.916 -7.874 375 HH11 ARG 49 1HH1 ARG 49 -3.712 -9.388 -8.234 376 HH12 ARG 49 2HH1 ARG 49 -4.259 -10.514 -9.421 377 HH21 ARG 49 1HH2 ARG 49 -1.208 -12.325 -9.490 378 HH22 ARG 49 2HH2 ARG 49 -2.719 -12.061 -10.299 379 HA PRO 50 HA PRO 50 4.779 -11.340 -3.743 380 HB2 PRO 50 1HB PRO 50 3.588 -13.653 -2.942 381 HB3 PRO 50 2HB PRO 50 3.936 -12.305 -1.820 382 HG2 PRO 50 1HG PRO 50 1.327 -12.921 -3.235 383 HG3 PRO 50 2HG PRO 50 1.583 -12.580 -1.490 384 HD2 PRO 50 1HD PRO 50 0.777 -10.666 -3.186 385 HD3 PRO 50 2HD PRO 50 1.952 -10.292 -1.889 386 H VAL 51 H VAL 51 5.285 -13.408 -4.847 387 HA VAL 51 HA VAL 51 3.707 -13.663 -7.385 388 HB VAL 51 HB VAL 51 6.676 -14.208 -7.181 389 HG11 VAL 51 1HG1 VAL 51 6.477 -14.031 -9.625 390 HG12 VAL 51 2HG1 VAL 51 5.301 -15.213 -9.006 391 HG13 VAL 51 3HG1 VAL 51 4.755 -13.596 -9.472 392 HG21 VAL 51 3HG2 VAL 51 6.956 -11.969 -8.331 393 HG22 VAL 51 1HG2 VAL 51 5.301 -11.569 -7.803 394 HG23 VAL 51 2HG2 VAL 51 6.569 -11.892 -6.615 395 H ASP 52 H ASP 52 2.360 -15.288 -6.714 396 HA ASP 52 HA ASP 52 1.684 -17.330 -6.271 397 HB2 ASP 52 1HB ASP 52 2.961 -17.362 -8.473 398 HB3 ASP 52 2HB ASP 52 4.169 -18.302 -7.639 399 H GLY 53 H GLY 53 2.963 -16.275 -4.083 400 HA2 GLY 53 1HA GLY 53 3.219 -17.261 -1.913 401 HA3 GLY 53 2HA GLY 53 4.152 -18.580 -2.627 402 H VAL 54 H VAL 54 5.644 -16.502 -4.409 403 HA VAL 54 HA VAL 54 7.868 -16.384 -2.570 404 HB VAL 54 HB VAL 54 7.575 -15.152 -5.321 405 HG11 VAL 54 1HG1 VAL 54 9.497 -14.240 -4.436 406 HG12 VAL 54 2HG1 VAL 54 9.933 -15.737 -3.579 407 HG13 VAL 54 3HG1 VAL 54 10.115 -15.606 -5.343 408 HG21 VAL 54 3HG2 VAL 54 8.518 -17.119 -6.343 409 HG22 VAL 54 1HG2 VAL 54 8.873 -17.854 -4.771 410 HG23 VAL 54 2HG2 VAL 54 7.197 -17.714 -5.339 411 H GLU 55 H GLU 55 8.684 -14.626 -1.499 412 HA GLU 55 HA GLU 55 7.160 -12.151 -1.355 413 HB2 GLU 55 1HB GLU 55 9.959 -12.669 -0.283 414 HB3 GLU 55 2HB GLU 55 8.826 -11.411 0.193 415 HG2 GLU 55 1HG GLU 55 8.156 -12.705 1.825 416 HG3 GLU 55 2HG GLU 55 7.319 -13.693 0.666 417 H VAL 56 H VAL 56 7.814 -10.204 -2.035 418 HA VAL 56 HA VAL 56 10.105 -9.950 -3.902 419 HB VAL 56 HB VAL 56 8.478 -7.810 -4.445 420 HG11 VAL 56 1HG1 VAL 56 8.337 -10.562 -5.754 421 HG12 VAL 56 2HG1 VAL 56 7.838 -9.035 -6.523 422 HG13 VAL 56 3HG1 VAL 56 9.538 -9.310 -6.123 423 HG21 VAL 56 3HG2 VAL 56 6.219 -8.408 -4.737 424 HG22 VAL 56 1HG2 VAL 56 6.488 -10.060 -4.148 425 HG23 VAL 56 2HG2 VAL 56 6.618 -8.654 -3.055 426 HA PRO 57 HA PRO 57 11.501 -6.665 -1.183 427 HB2 PRO 57 1HB PRO 57 12.628 -4.872 -2.918 428 HB3 PRO 57 2HB PRO 57 13.395 -6.424 -2.474 429 HG2 PRO 57 1HG PRO 57 11.727 -5.776 -4.937 430 HG3 PRO 57 2HG PRO 57 13.304 -6.659 -4.841 431 HD2 PRO 57 1HD PRO 57 10.903 -7.936 -5.000 432 HD3 PRO 57 2HD PRO 57 12.258 -8.633 -4.064 433 H GLY 58 H GLY 58 10.490 -4.974 -0.366 434 HA2 GLY 58 1HA GLY 58 9.078 -3.147 -0.111 435 HA3 GLY 58 2HA GLY 58 8.893 -3.078 -1.853 436 H CYS 59 H CYS 59 8.157 -6.223 -0.667 437 HA CYS 59 HA CYS 59 5.314 -5.889 -0.948 438 HB2 CYS 59 1HB CYS 59 6.874 -7.948 -1.197 439 HB3 CYS 59 2HB CYS 59 6.775 -8.092 0.563 440 HG CYS 59 HG CYS 59 5.080 -9.841 -0.199 441 H GLY 60 H GLY 60 3.742 -5.986 0.654 442 HA2 GLY 60 1HA GLY 60 2.825 -6.065 2.787 443 HA3 GLY 60 2HA GLY 60 4.452 -5.930 3.469 444 H LYS 61 H LYS 61 4.372 -3.515 1.244 445 HA LYS 61 HA LYS 61 3.555 -1.425 3.204 446 HB2 LYS 61 1HB LYS 61 5.085 -1.299 0.558 447 HB3 LYS 61 2HB LYS 61 4.554 0.118 1.476 448 HG2 LYS 61 1HG LYS 61 6.650 -0.011 2.290 449 HG3 LYS 61 2HG LYS 61 5.932 -1.163 3.419 450 HD2 LYS 61 1HD LYS 61 6.560 -2.967 1.633 451 HD3 LYS 61 2HD LYS 61 7.545 -1.726 0.878 452 HE2 LYS 61 1HE LYS 61 7.740 -2.447 3.813 453 HE3 LYS 61 2HE LYS 61 8.605 -3.352 2.568 454 HZ1 LYS 61 3HZ LYS 61 9.022 -0.476 3.154 455 HZ2 LYS 61 1HZ LYS 61 9.768 -1.317 1.947 456 HZ3 LYS 61 2HZ LYS 61 10.054 -1.707 3.496 457 H ILE 62 H ILE 62 2.321 0.412 2.047 458 HA ILE 62 HA ILE 62 1.186 -0.253 -0.524 459 HB ILE 62 HB ILE 62 -0.588 0.809 1.714 460 HG12 ILE 62 1HG1 ILE 62 -0.525 -1.666 -0.049 461 HG13 ILE 62 2HG1 ILE 62 -0.526 -1.590 1.713 462 HG21 ILE 62 1HG2 ILE 62 -0.927 0.798 -1.322 463 HG22 ILE 62 2HG2 ILE 62 -2.258 1.074 -0.193 464 HG23 ILE 62 3HG2 ILE 62 -0.934 2.198 -0.239 465 HD11 ILE 62 3HD1 ILE 62 -2.899 -0.808 1.634 466 HD12 ILE 62 1HD1 ILE 62 -2.859 -1.030 -0.137 467 HD13 ILE 62 2HD1 ILE 62 -2.625 -2.415 0.907 468 H PHE 63 H PHE 63 1.421 1.614 -1.836 469 HA PHE 63 HA PHE 63 2.159 4.110 -0.375 470 HB2 PHE 63 1HB PHE 63 2.820 3.491 -3.242 471 HB3 PHE 63 2HB PHE 63 3.447 4.803 -2.233 472 HD1 PHE 63 2HD PHE 63 5.239 4.307 -0.522 473 HD2 PHE 63 1HD PHE 63 3.743 1.333 -3.248 474 HE1 PHE 63 2HE PHE 63 7.135 2.801 0.061 475 HE2 PHE 63 1HE PHE 63 5.504 -0.210 -2.567 476 HZ PHE 63 HZ PHE 63 7.270 0.522 -0.925 477 H VAL 64 H VAL 64 0.991 5.969 -1.033 478 HA VAL 64 HA VAL 64 -1.306 5.610 -2.893 479 HB VAL 64 HB VAL 64 -1.174 6.942 -0.176 480 HG11 VAL 64 1HG1 VAL 64 -3.380 7.183 -2.215 481 HG12 VAL 64 2HG1 VAL 64 -3.503 7.721 -0.526 482 HG13 VAL 64 3HG1 VAL 64 -2.372 8.517 -1.631 483 HG21 VAL 64 3HG2 VAL 64 -3.221 4.966 -1.162 484 HG22 VAL 64 1HG2 VAL 64 -1.775 4.497 -0.263 485 HG23 VAL 64 2HG2 VAL 64 -2.977 5.550 0.483 486 H GLU 65 H GLU 65 -1.690 7.592 -4.139 487 HA GLU 65 HA GLU 65 0.515 9.576 -4.134 488 HB2 GLU 65 1HB GLU 65 1.009 7.933 -5.814 489 HB3 GLU 65 2HB GLU 65 -0.645 7.958 -6.427 490 HG2 GLU 65 1HG GLU 65 -0.065 9.487 -7.888 491 HG3 GLU 65 2HG GLU 65 0.304 10.643 -6.621 492 H PHE 66 H PHE 66 -0.203 11.582 -4.373 493 HA PHE 66 HA PHE 66 -3.160 12.043 -4.565 494 HB2 PHE 66 1HB PHE 66 -1.000 13.584 -3.104 495 HB3 PHE 66 2HB PHE 66 -2.558 14.274 -3.443 496 HD1 PHE 66 2HD PHE 66 -1.104 11.180 -1.835 497 HD2 PHE 66 1HD PHE 66 -4.286 14.097 -1.935 498 HE1 PHE 66 2HE PHE 66 -2.019 10.249 0.254 499 HE2 PHE 66 1HE PHE 66 -5.202 13.148 0.179 500 HZ PHE 66 HZ PHE 66 -4.036 11.254 1.274 501 H THR 67 H THR 67 -3.444 14.545 -5.271 502 HA THR 67 HA THR 67 -1.956 14.814 -7.835 503 HB THR 67 HB THR 67 -4.366 14.104 -7.817 504 HG1 THR 67 1HG THR 67 -3.836 16.467 -9.252 505 HG21 THR 67 3HG2 THR 67 -6.112 15.824 -7.607 506 HG22 THR 67 1HG2 THR 67 -4.904 16.969 -7.002 507 HG23 THR 67 2HG2 THR 67 -5.272 15.478 -6.109 508 H SER 68 H SER 68 -1.669 16.051 -4.770 509 HA SER 68 HA SER 68 -0.138 18.108 -5.823 510 HB2 SER 68 1HB SER 68 -1.079 19.939 -4.352 511 HB3 SER 68 2HB SER 68 -2.076 19.515 -5.746 512 HG SER 68 HG SER 68 -3.564 19.455 -4.294 513 H VAL 69 H VAL 69 1.609 18.328 -4.447 514 HA VAL 69 HA VAL 69 2.225 16.660 -2.315 515 HB VAL 69 HB VAL 69 3.095 19.556 -2.711 516 HG11 VAL 69 1HG1 VAL 69 5.173 18.919 -1.540 517 HG12 VAL 69 2HG1 VAL 69 3.768 18.728 -0.490 518 HG13 VAL 69 3HG1 VAL 69 4.517 17.300 -1.229 519 HG21 VAL 69 3HG2 VAL 69 4.310 17.012 -3.855 520 HG22 VAL 69 1HG2 VAL 69 3.552 18.331 -4.769 521 HG23 VAL 69 2HG2 VAL 69 5.063 18.612 -3.905 522 H PHE 70 H PHE 70 0.584 19.750 -2.305 523 HA PHE 70 HA PHE 70 0.790 20.197 0.543 524 HB2 PHE 70 1HB PHE 70 -0.777 21.435 -1.743 525 HB3 PHE 70 2HB PHE 70 -1.016 21.964 -0.076 526 HD1 PHE 70 1HD PHE 70 0.992 22.792 1.279 527 HD2 PHE 70 2HD PHE 70 1.004 22.394 -3.031 528 HE1 PHE 70 1HE PHE 70 2.769 24.486 1.115 529 HE2 PHE 70 2HE PHE 70 2.730 24.143 -3.176 530 HZ PHE 70 HZ PHE 70 3.616 25.215 -1.103 531 H ASP 71 H ASP 71 -1.602 18.482 -1.417 532 HA ASP 71 HA ASP 71 -3.662 18.496 0.715 533 HB2 ASP 71 1HB ASP 71 -3.273 17.162 -1.951 534 HB3 ASP 71 2HB ASP 71 -4.474 16.541 -0.831 535 H CYS 72 H CYS 72 -1.143 16.371 -0.661 536 HA CYS 72 HA CYS 72 -1.732 14.118 0.908 537 HB2 CYS 72 1HB CYS 72 -0.232 14.259 -1.137 538 HB3 CYS 72 2HB CYS 72 1.039 14.943 -0.096 539 HG CYS 72 HG CYS 72 1.168 12.282 -0.741 540 H GLN 73 H GLN 73 0.425 16.905 1.552 541 HA GLN 73 HA GLN 73 1.498 16.151 4.028 542 HB2 GLN 73 1HB GLN 73 0.734 18.795 2.734 543 HB3 GLN 73 2HB GLN 73 1.489 18.738 4.318 544 HG2 GLN 73 1HG GLN 73 3.423 17.527 3.423 545 HG3 GLN 73 2HG GLN 73 2.710 17.506 1.814 546 HE21 GLN 73 1HE2 GLN 73 5.275 18.653 2.460 547 HE22 GLN 73 2HE2 GLN 73 5.154 20.378 2.127 548 H LYS 74 H LYS 74 -1.885 17.165 3.339 549 HA LYS 74 HA LYS 74 -2.431 17.678 6.159 550 HB2 LYS 74 1HB LYS 74 -4.463 17.284 3.915 551 HB3 LYS 74 2HB LYS 74 -4.666 18.099 5.458 552 HG2 LYS 74 1HG LYS 74 -2.704 19.660 4.552 553 HG3 LYS 74 2HG LYS 74 -3.202 18.956 3.004 554 HD2 LYS 74 1HD LYS 74 -5.561 19.785 3.514 555 HD3 LYS 74 2HD LYS 74 -4.846 20.708 4.860 556 HE2 LYS 74 1HE LYS 74 -3.222 21.752 3.277 557 HE3 LYS 74 2HE LYS 74 -3.906 20.808 1.951 558 HZ1 LYS 74 3HZ LYS 74 -5.275 22.939 3.461 559 HZ2 LYS 74 1HZ LYS 74 -6.008 22.011 2.313 560 HZ3 LYS 74 2HZ LYS 74 -4.733 22.989 1.916 561 H ALA 75 H ALA 75 -3.110 15.193 3.693 562 HA ALA 75 HA ALA 75 -4.637 13.445 5.314 563 HB1 ALA 75 1HB ALA 75 -2.779 12.760 2.988 564 HB2 ALA 75 2HB ALA 75 -4.087 11.749 3.631 565 HB3 ALA 75 3HB ALA 75 -4.463 13.292 2.836 566 H MET 76 H MET 76 -1.105 13.437 4.613 567 HA MET 76 HA MET 76 -0.534 11.064 5.840 568 HB2 MET 76 1HB MET 76 1.681 11.519 5.505 569 HB3 MET 76 2HB MET 76 0.926 12.628 4.386 570 HG2 MET 76 1HG MET 76 2.637 13.849 5.281 571 HG3 MET 76 2HG MET 76 1.250 14.431 6.176 572 HE1 MET 76 3HE MET 76 3.375 10.974 6.823 573 HE2 MET 76 1HE MET 76 4.466 12.207 6.141 574 HE3 MET 76 2HE MET 76 4.645 11.686 7.830 575 H GLN 77 H GLN 77 -0.580 14.239 7.432 576 HA GLN 77 HA GLN 77 0.028 13.152 10.072 577 HB2 GLN 77 1HB GLN 77 -1.103 15.872 9.213 578 HB3 GLN 77 2HB GLN 77 -0.551 15.439 10.842 579 HG2 GLN 77 1HG GLN 77 1.741 15.047 9.958 580 HG3 GLN 77 2HG GLN 77 1.192 15.507 8.342 581 HE21 GLN 77 1HE2 GLN 77 2.096 17.491 7.877 582 HE22 GLN 77 2HE2 GLN 77 2.135 18.839 9.014 583 H GLY 78 H GLY 78 -2.919 14.281 8.309 584 HA2 GLY 78 1HA GLY 78 -4.648 14.301 10.533 585 HA3 GLY 78 2HA GLY 78 -5.112 14.278 8.829 586 H LEU 79 H LEU 79 -3.566 11.674 8.536 587 HA LEU 79 HA LEU 79 -5.566 9.793 9.682 588 HB2 LEU 79 1HB LEU 79 -4.156 9.854 6.996 589 HB3 LEU 79 2HB LEU 79 -5.254 8.575 7.529 590 HG LEU 79 HG LEU 79 -6.057 11.492 7.086 591 HD11 LEU 79 1HD1 LEU 79 -7.362 10.494 5.173 592 HD12 LEU 79 2HD1 LEU 79 -6.479 8.981 5.425 593 HD13 LEU 79 3HD1 LEU 79 -5.609 10.454 4.968 594 HD21 LEU 79 3HD2 LEU 79 -7.662 9.008 7.786 595 HD22 LEU 79 1HD2 LEU 79 -8.378 10.528 7.313 596 HD23 LEU 79 2HD2 LEU 79 -7.471 10.466 8.810 597 H THR 80 H THR 80 -2.704 10.666 10.569 598 HA THR 80 HA THR 80 -1.153 8.200 10.638 599 HB THR 80 HB THR 80 -1.205 10.762 12.283 600 HG1 THR 80 1HG THR 80 -0.253 10.729 10.138 601 HG21 THR 80 3HG2 THR 80 0.660 8.369 12.616 602 HG22 THR 80 1HG2 THR 80 -0.467 9.017 13.832 603 HG23 THR 80 2HG2 THR 80 0.915 9.985 13.318 604 H GLY 81 H GLY 81 -1.997 6.366 11.673 605 HA2 GLY 81 1HA GLY 81 -2.890 5.178 13.458 606 HA3 GLY 81 2HA GLY 81 -3.232 6.688 14.301 607 H ARG 82 H ARG 82 -4.399 6.294 11.029 608 HA ARG 82 HA ARG 82 -7.135 5.586 11.897 609 HB2 ARG 82 1HB ARG 82 -5.829 6.484 9.330 610 HB3 ARG 82 2HB ARG 82 -7.206 5.452 9.205 611 HG2 ARG 82 1HG ARG 82 -7.829 7.496 11.202 612 HG3 ARG 82 2HG ARG 82 -7.189 8.262 9.759 613 HD2 ARG 82 1HD ARG 82 -8.808 6.959 8.367 614 HD3 ARG 82 2HD ARG 82 -9.406 6.169 9.819 615 HE ARG 82 HE ARG 82 -10.098 8.796 8.808 616 HH11 ARG 82 1HH1 ARG 82 -10.235 6.570 11.544 617 HH12 ARG 82 2HH1 ARG 82 -11.298 7.550 12.502 618 HH21 ARG 82 1HH2 ARG 82 -11.961 9.742 9.760 619 HH22 ARG 82 2HH2 ARG 82 -12.466 9.290 11.352 620 H LYS 83 H LYS 83 -8.000 3.733 10.278 621 HA LYS 83 HA LYS 83 -6.135 1.414 10.464 622 HB2 LYS 83 1HB LYS 83 -9.103 1.414 11.136 623 HB3 LYS 83 2HB LYS 83 -7.982 0.053 11.207 624 HG2 LYS 83 1HG LYS 83 -6.718 1.397 12.997 625 HG3 LYS 83 2HG LYS 83 -8.046 2.538 12.986 626 HD2 LYS 83 1HD LYS 83 -9.527 1.133 14.007 627 HD3 LYS 83 2HD LYS 83 -8.864 -0.342 13.274 628 HE2 LYS 83 1HE LYS 83 -7.377 1.266 15.368 629 HE3 LYS 83 2HE LYS 83 -8.488 -0.068 15.783 630 HZ1 LYS 83 3HZ LYS 83 -7.142 -1.574 14.569 631 HZ2 LYS 83 1HZ LYS 83 -6.116 -0.740 15.564 632 HZ3 LYS 83 2HZ LYS 83 -6.189 -0.350 13.971 633 H PHE 84 H PHE 84 -5.751 1.104 8.235 634 HA PHE 84 HA PHE 84 -7.962 1.723 6.318 635 HB2 PHE 84 1HB PHE 84 -4.979 1.374 6.076 636 HB3 PHE 84 2HB PHE 84 -6.009 1.264 4.668 637 HD1 PHE 84 2HD PHE 84 -6.816 3.870 7.220 638 HD2 PHE 84 1HD PHE 84 -4.760 2.926 3.569 639 HE1 PHE 84 2HE PHE 84 -6.610 6.272 6.716 640 HE2 PHE 84 1HE PHE 84 -4.599 5.330 3.018 641 HZ PHE 84 HZ PHE 84 -5.576 7.010 4.557 642 H ALA 85 H ALA 85 -7.704 -0.637 8.146 643 HA ALA 85 HA ALA 85 -8.915 -2.556 6.502 644 HB1 ALA 85 1HB ALA 85 -7.321 -4.482 7.013 645 HB2 ALA 85 2HB ALA 85 -6.719 -3.339 5.815 646 HB3 ALA 85 3HB ALA 85 -6.080 -3.285 7.457 647 H ASN 86 H ASN 86 -6.867 -3.397 9.198 648 HA ASN 86 HA ASN 86 -9.024 -2.935 11.203 649 HB2 ASN 86 1HB ASN 86 -8.872 -5.344 10.133 650 HB3 ASN 86 2HB ASN 86 -7.473 -5.539 11.178 651 HD21 ASN 86 1HD2 ASN 86 -8.769 -3.881 13.445 652 HD22 ASN 86 2HD2 ASN 86 -10.138 -4.863 13.962 653 H ARG 87 H ARG 87 -5.639 -2.811 10.396 654 HA ARG 87 HA ARG 87 -4.747 -3.097 13.222 655 HB2 ARG 87 1HB ARG 87 -3.013 -2.690 10.793 656 HB3 ARG 87 2HB ARG 87 -2.566 -3.335 12.364 657 HG2 ARG 87 1HG ARG 87 -4.286 -5.277 11.751 658 HG3 ARG 87 2HG ARG 87 -4.036 -4.684 10.104 659 HD2 ARG 87 1HD ARG 87 -2.440 -6.366 10.318 660 HD3 ARG 87 2HD ARG 87 -1.506 -4.900 10.594 661 HE ARG 87 HE ARG 87 -2.527 -5.935 13.088 662 HH11 ARG 87 1HH1 ARG 87 -0.201 -6.808 10.584 663 HH12 ARG 87 2HH1 ARG 87 0.858 -7.660 11.646 664 HH21 ARG 87 1HH2 ARG 87 -1.053 -6.884 14.561 665 HH22 ARG 87 2HH2 ARG 87 0.441 -7.564 14.010 666 H VAL 88 H VAL 88 -2.568 -1.322 13.146 667 HA VAL 88 HA VAL 88 -3.824 1.344 12.989 668 HB VAL 88 HB VAL 88 -2.280 0.618 14.849 669 HG11 VAL 88 1HG1 VAL 88 -0.112 0.823 12.745 670 HG12 VAL 88 2HG1 VAL 88 0.110 0.521 14.483 671 HG13 VAL 88 3HG1 VAL 88 -0.700 -0.699 13.487 672 HG21 VAL 88 3HG2 VAL 88 -2.698 3.003 14.328 673 HG22 VAL 88 1HG2 VAL 88 -1.111 2.701 15.036 674 HG23 VAL 88 2HG2 VAL 88 -1.235 3.010 13.308 675 H VAL 89 H VAL 89 -2.783 3.001 11.698 676 HA VAL 89 HA VAL 89 -1.167 1.995 9.411 677 HB VAL 89 HB VAL 89 -3.350 4.092 9.497 678 HG11 VAL 89 1HG1 VAL 89 -2.764 4.390 7.012 679 HG12 VAL 89 2HG1 VAL 89 -1.671 5.139 8.186 680 HG13 VAL 89 3HG1 VAL 89 -1.206 3.626 7.402 681 HG21 VAL 89 3HG2 VAL 89 -4.197 1.858 9.174 682 HG22 VAL 89 1HG2 VAL 89 -4.314 2.771 7.670 683 HG23 VAL 89 2HG2 VAL 89 -3.047 1.543 7.868 684 H VAL 90 H VAL 90 0.815 2.727 9.667 685 HA VAL 90 HA VAL 90 1.313 5.378 10.913 686 HB VAL 90 HB VAL 90 2.679 3.859 12.021 687 HG11 VAL 90 1HG1 VAL 90 4.217 2.228 11.011 688 HG12 VAL 90 2HG1 VAL 90 2.531 1.831 10.694 689 HG13 VAL 90 3HG1 VAL 90 3.514 2.564 9.414 690 HG21 VAL 90 3HG2 VAL 90 4.912 4.584 11.491 691 HG22 VAL 90 1HG2 VAL 90 4.475 4.929 9.804 692 HG23 VAL 90 2HG2 VAL 90 3.813 5.908 11.126 693 H THR 91 H THR 91 2.444 6.895 9.551 694 HA THR 91 HA THR 91 2.215 6.313 6.656 695 HB THR 91 HB THR 91 1.652 8.714 6.443 696 HG1 THR 91 1HG THR 91 0.906 9.774 8.376 697 HG21 THR 91 3HG2 THR 91 -0.139 6.965 6.483 698 HG22 THR 91 1HG2 THR 91 -0.683 8.539 7.088 699 HG23 THR 91 2HG2 THR 91 -0.322 7.233 8.231 700 H LYS 92 H LYS 92 3.672 7.747 5.366 701 HA LYS 92 HA LYS 92 6.091 8.868 6.554 702 HB2 LYS 92 1HB LYS 92 5.828 6.083 5.461 703 HB3 LYS 92 2HB LYS 92 7.035 7.027 4.638 704 HG2 LYS 92 1HG LYS 92 7.293 7.284 7.573 705 HG3 LYS 92 2HG LYS 92 7.348 5.605 7.033 706 HD2 LYS 92 1HD LYS 92 9.037 6.260 5.288 707 HD3 LYS 92 2HD LYS 92 9.043 7.894 5.948 708 HE2 LYS 92 1HE LYS 92 9.891 5.364 7.423 709 HE3 LYS 92 2HE LYS 92 10.963 6.553 6.674 710 HZ1 LYS 92 3HZ LYS 92 10.854 7.071 8.905 711 HZ2 LYS 92 1HZ LYS 92 9.217 6.934 9.004 712 HZ3 LYS 92 2HZ LYS 92 9.919 8.212 8.178 713 H TYR 93 H TYR 93 7.292 9.995 4.762 714 HA TYR 93 HA TYR 93 5.710 10.512 2.324 715 HB2 TYR 93 1HB TYR 93 8.446 11.490 3.267 716 HB3 TYR 93 2HB TYR 93 7.691 11.959 1.773 717 HD1 TYR 93 1HD TYR 93 5.172 12.880 2.029 718 HD2 TYR 93 2HD TYR 93 8.130 12.915 5.168 719 HE1 TYR 93 1HE TYR 93 3.914 14.632 3.149 720 HE2 TYR 93 2HE TYR 93 6.852 14.677 6.335 721 HH TYR 93 HH TYR 93 5.052 16.200 6.178 722 H CYS 94 H CYS 94 6.782 9.939 0.135 723 HA CYS 94 HA CYS 94 9.005 8.036 0.325 724 HB2 CYS 94 1HB CYS 94 6.394 7.075 -0.102 725 HB3 CYS 94 2HB CYS 94 7.047 7.205 -1.729 726 HG CYS 94 HG CYS 94 8.750 5.923 0.809 727 H ASP 95 H ASP 95 9.246 7.550 -2.481 728 HA ASP 95 HA ASP 95 9.578 10.316 -3.568 729 HB2 ASP 95 1HB ASP 95 11.355 7.920 -3.972 730 HB3 ASP 95 2HB ASP 95 11.554 9.502 -4.723 731 HA PRO 96 HA PRO 96 6.869 8.476 -6.493 732 HB2 PRO 96 1HB PRO 96 6.568 10.441 -8.347 733 HB3 PRO 96 2HB PRO 96 6.046 10.614 -6.649 734 HG2 PRO 96 1HG PRO 96 8.507 11.739 -7.932 735 HG3 PRO 96 2HG PRO 96 7.500 12.434 -6.694 736 HD2 PRO 96 1HD PRO 96 9.907 11.148 -6.206 737 HD3 PRO 96 2HD PRO 96 8.552 11.429 -5.061 738 H ASP 97 H ASP 97 10.018 9.386 -7.617 739 HA ASP 97 HA ASP 97 9.925 8.314 -10.283 740 HB2 ASP 97 1HB ASP 97 11.974 9.272 -8.568 741 HB3 ASP 97 2HB ASP 97 12.397 7.585 -8.931 742 H SER 98 H SER 98 10.491 6.778 -7.115 743 HA SER 98 HA SER 98 10.820 4.203 -8.264 744 HB2 SER 98 1HB SER 98 10.313 3.562 -5.704 745 HB3 SER 98 2HB SER 98 11.867 4.206 -6.244 746 HG SER 98 HG SER 98 10.645 5.176 -4.332 747 H TYR 99 H TYR 99 8.126 6.099 -7.043 748 HA TYR 99 HA TYR 99 6.227 4.099 -6.561 749 HB2 TYR 99 1HB TYR 99 6.101 6.513 -5.842 750 HB3 TYR 99 2HB TYR 99 5.615 6.936 -7.484 751 HD1 TYR 99 2HD TYR 99 3.431 5.713 -8.426 752 HD2 TYR 99 1HD TYR 99 4.414 6.204 -4.253 753 HE1 TYR 99 2HE TYR 99 1.126 5.160 -7.832 754 HE2 TYR 99 1HE TYR 99 2.054 5.743 -3.682 755 HH TYR 99 HH TYR 99 0.130 4.695 -4.440 756 H HIS 100 H HIS 100 6.706 6.092 -9.487 757 HA HIS 100 HA HIS 100 4.584 4.888 -10.976 758 HB2 HIS 100 1HB HIS 100 7.113 6.286 -11.948 759 HB3 HIS 100 2HB HIS 100 5.669 5.958 -12.900 760 HD1 HIS 100 1HD HIS 100 7.149 8.751 -11.093 761 HD2 HIS 100 2HD HIS 100 3.271 7.168 -11.589 762 HE1 HIS 100 1HE HIS 100 5.535 10.668 -10.722 763 H ARG 101 H ARG 101 7.579 3.587 -10.106 764 HA ARG 101 HA ARG 101 7.729 1.632 -12.352 765 HB2 ARG 101 1HB ARG 101 9.833 2.846 -10.498 766 HB3 ARG 101 2HB ARG 101 10.157 1.391 -11.441 767 HG2 ARG 101 1HG ARG 101 9.090 3.837 -12.876 768 HG3 ARG 101 2HG ARG 101 10.771 3.811 -12.392 769 HD2 ARG 101 1HD ARG 101 9.506 1.575 -14.028 770 HD3 ARG 101 2HD ARG 101 10.264 3.020 -14.708 771 HE ARG 101 HE ARG 101 12.341 2.463 -13.608 772 HH11 ARG 101 1HH1 ARG 101 10.134 -0.313 -13.872 773 HH12 ARG 101 2HH1 ARG 101 11.394 -1.435 -14.303 774 HH21 ARG 101 1HH2 ARG 101 13.968 0.956 -14.195 775 HH22 ARG 101 2HH2 ARG 101 13.614 -0.737 -14.251 776 H ARG 102 H ARG 102 9.088 -0.364 -11.040 777 HA ARG 102 HA ARG 102 7.695 -0.881 -8.452 778 HB2 ARG 102 1HB ARG 102 8.507 -2.904 -10.591 779 HB3 ARG 102 2HB ARG 102 8.174 -3.304 -8.902 780 HG2 ARG 102 1HG ARG 102 6.345 -3.633 -10.818 781 HG3 ARG 102 2HG ARG 102 5.976 -3.330 -9.115 782 HD2 ARG 102 1HD ARG 102 5.791 -0.988 -9.503 783 HD3 ARG 102 2HD ARG 102 6.137 -1.176 -11.242 784 HE ARG 102 HE ARG 102 3.820 -2.668 -10.598 785 HH11 ARG 102 1HH1 ARG 102 4.929 0.756 -10.157 786 HH12 ARG 102 2HH1 ARG 102 3.342 1.373 -10.506 787 HH21 ARG 102 1HH2 ARG 102 1.717 -1.713 -10.875 788 HH22 ARG 102 2HH2 ARG 102 1.587 0.034 -10.783 789 H ASP 103 H ASP 103 9.435 0.649 -7.895 790 HA ASP 103 HA ASP 103 12.091 -0.724 -7.783 791 HB2 ASP 103 1HB ASP 103 11.736 1.594 -8.993 792 HB3 ASP 103 2HB ASP 103 11.708 2.237 -7.349 793 H PHE 104 H PHE 104 9.815 -1.283 -6.021 794 HA PHE 104 HA PHE 104 10.083 0.273 -3.602 795 HB2 PHE 104 1HB PHE 104 8.729 -2.408 -3.837 796 HB3 PHE 104 2HB PHE 104 8.295 -1.051 -2.787 797 HD1 PHE 104 2HD PHE 104 8.022 1.233 -4.664 798 HD2 PHE 104 1HD PHE 104 7.008 -2.925 -5.245 799 HE1 PHE 104 2HE PHE 104 6.508 1.845 -6.517 800 HE2 PHE 104 1HE PHE 104 5.483 -2.288 -7.077 801 HZ PHE 104 HZ PHE 104 5.208 0.076 -7.702 802 H TRP 105 H TRP 105 10.705 -0.668 -1.469 803 HA TRP 105 HA TRP 105 12.435 -2.993 -1.514 804 HB2 TRP 105 1HB TRP 105 13.777 -0.815 -1.915 805 HB3 TRP 105 2HB TRP 105 13.324 -0.370 -0.280 806 HD1 TRP 105 HD TRP 105 14.766 -3.566 -1.933 807 HE1 TRP 105 1HE TRP 105 16.874 -4.286 -0.769 808 HE3 TRP 105 3HE TRP 105 14.982 0.140 1.602 809 HZ2 TRP 105 2HZ TRP 105 18.591 -3.277 1.357 810 HZ3 TRP 105 3HZ TRP 105 16.973 0.343 3.056 811 HH2 TRP 105 HH TRP 105 18.794 -1.350 2.937 Start of MODEL 2 1 H1 GLY 1 H GLY 1 14.659 10.025 5.823 2 HA2 GLY 1 1HA GLY 1 13.411 12.643 6.396 3 HA3 GLY 1 2HA GLY 1 15.160 12.327 6.437 4 H GLY 2 H GLY 2 13.303 14.111 4.726 5 HA2 GLY 2 1HA GLY 2 14.679 14.381 2.421 6 HA3 GLY 2 2HA GLY 2 13.481 13.118 2.040 7 H HIS 3 H HIS 3 13.004 15.190 0.601 8 HA HIS 3 HA HIS 3 11.470 17.330 1.849 9 HB2 HIS 3 1HB HIS 3 10.876 17.911 -0.469 10 HB3 HIS 3 2HB HIS 3 12.606 17.777 -0.224 11 HD1 HIS 3 1HD HIS 3 13.862 15.876 -1.671 12 HD2 HIS 3 2HD HIS 3 9.708 16.288 -2.216 13 HE1 HIS 3 1HE HIS 3 13.293 14.625 -3.816 14 HA PRO 4 HA PRO 4 7.510 15.100 1.715 15 HB2 PRO 4 1HB PRO 4 5.730 17.147 1.353 16 HB3 PRO 4 2HB PRO 4 6.494 16.766 2.908 17 HG2 PRO 4 1HG PRO 4 7.276 18.908 0.920 18 HG3 PRO 4 2HG PRO 4 7.184 19.036 2.701 19 HD2 PRO 4 1HD PRO 4 9.518 18.616 1.295 20 HD3 PRO 4 2HD PRO 4 9.275 18.018 2.959 21 H THR 5 H THR 5 6.769 14.045 -0.027 22 HA THR 5 HA THR 5 7.097 15.168 -2.749 23 HB THR 5 HB THR 5 6.921 12.687 -3.362 24 HG1 THR 5 1HG THR 5 7.525 11.384 -1.378 25 HG21 THR 5 3HG2 THR 5 9.092 13.769 -3.223 26 HG22 THR 5 1HG2 THR 5 9.194 12.104 -2.647 27 HG23 THR 5 2HG2 THR 5 9.200 13.435 -1.476 28 H GLU 6 H GLU 6 5.310 14.039 -4.221 29 HA GLU 6 HA GLU 6 2.698 14.761 -3.133 30 HB2 GLU 6 1HB GLU 6 3.211 13.684 -5.916 31 HB3 GLU 6 2HB GLU 6 1.917 14.737 -5.351 32 HG2 GLU 6 1HG GLU 6 4.149 16.278 -4.834 33 HG3 GLU 6 2HG GLU 6 4.694 15.388 -6.231 34 H VAL 7 H VAL 7 4.458 12.013 -2.461 35 HA VAL 7 HA VAL 7 2.112 10.306 -2.635 36 HB VAL 7 HB VAL 7 3.367 8.518 -3.238 37 HG11 VAL 7 1HG1 VAL 7 4.229 8.977 -5.432 38 HG12 VAL 7 2HG1 VAL 7 2.913 10.116 -5.099 39 HG13 VAL 7 3HG1 VAL 7 4.593 10.657 -4.979 40 HG21 VAL 7 3HG2 VAL 7 5.953 9.869 -2.801 41 HG22 VAL 7 1HG2 VAL 7 5.167 8.498 -1.931 42 HG23 VAL 7 2HG2 VAL 7 5.681 8.272 -3.595 43 H LEU 8 H LEU 8 2.226 8.528 -1.116 44 HA LEU 8 HA LEU 8 3.473 9.231 1.485 45 HB2 LEU 8 1HB LEU 8 1.170 10.243 1.035 46 HB3 LEU 8 2HB LEU 8 0.570 8.598 0.899 47 HG LEU 8 HG LEU 8 1.337 8.232 3.296 48 HD11 LEU 8 1HD1 LEU 8 1.239 11.247 3.554 49 HD12 LEU 8 2HD1 LEU 8 2.770 10.483 3.181 50 HD13 LEU 8 3HD1 LEU 8 1.920 10.033 4.662 51 HD21 LEU 8 3HD2 LEU 8 -0.764 10.380 2.694 52 HD22 LEU 8 1HD2 LEU 8 -0.702 9.414 4.171 53 HD23 LEU 8 2HD2 LEU 8 -1.035 8.637 2.616 54 H CYS 9 H CYS 9 4.215 7.437 2.473 55 HA CYS 9 HA CYS 9 3.775 4.752 1.270 56 HB2 CYS 9 1HB CYS 9 6.150 5.519 1.734 57 HB3 CYS 9 2HB CYS 9 5.727 5.695 3.425 58 HG CYS 9 HG CYS 9 5.573 2.950 1.566 59 H LEU 10 H LEU 10 2.573 3.284 2.379 60 HA LEU 10 HA LEU 10 1.391 4.060 5.005 61 HB2 LEU 10 1HB LEU 10 0.144 2.621 2.626 62 HB3 LEU 10 2HB LEU 10 -0.629 3.020 4.163 63 HG LEU 10 HG LEU 10 0.319 5.010 2.059 64 HD11 LEU 10 1HD1 LEU 10 -2.242 5.334 1.974 65 HD12 LEU 10 2HD1 LEU 10 -2.338 3.769 2.783 66 HD13 LEU 10 3HD1 LEU 10 -1.520 3.896 1.218 67 HD21 LEU 10 3HD2 LEU 10 0.570 6.196 4.044 68 HD22 LEU 10 1HD2 LEU 10 -0.749 5.370 4.866 69 HD23 LEU 10 2HD2 LEU 10 -1.094 6.574 3.598 70 H MET 11 H MET 11 1.654 2.366 6.496 71 HA MET 11 HA MET 11 2.287 -0.364 5.406 72 HB2 MET 11 1HB MET 11 3.516 1.028 7.794 73 HB3 MET 11 2HB MET 11 3.752 -0.658 7.395 74 HG2 MET 11 1HG MET 11 5.319 -0.213 5.875 75 HG3 MET 11 2HG MET 11 4.335 0.964 5.042 76 HE1 MET 11 3HE MET 11 4.521 3.659 5.390 77 HE2 MET 11 1HE MET 11 3.705 3.141 6.872 78 HE3 MET 11 2HE MET 11 5.029 4.277 6.980 79 H ASN 12 H ASN 12 1.813 -2.083 6.791 80 HA ASN 12 HA ASN 12 0.764 -3.371 8.274 81 HB2 ASN 12 1HB ASN 12 -0.358 -0.927 9.640 82 HB3 ASN 12 2HB ASN 12 -0.239 -2.558 10.291 83 HD21 ASN 12 1HD2 ASN 12 0.844 0.134 11.139 84 HD22 ASN 12 2HD2 ASN 12 2.492 -0.232 11.589 85 H MET 13 H MET 13 -0.564 -2.090 5.791 86 HA MET 13 HA MET 13 -3.413 -2.034 6.421 87 HB2 MET 13 1HB MET 13 -2.531 -2.409 3.601 88 HB3 MET 13 2HB MET 13 -3.756 -1.374 4.269 89 HG2 MET 13 1HG MET 13 -1.170 -0.320 5.051 90 HG3 MET 13 2HG MET 13 -1.142 -0.759 3.359 91 HE1 MET 13 3HE MET 13 -1.703 1.875 5.801 92 HE2 MET 13 1HE MET 13 -3.323 2.542 5.486 93 HE3 MET 13 2HE MET 13 -3.134 0.875 6.081 94 H VAL 14 H VAL 14 -1.173 -4.179 4.693 95 HA VAL 14 HA VAL 14 -3.055 -6.468 4.656 96 HB VAL 14 HB VAL 14 -2.146 -6.732 2.271 97 HG11 VAL 14 1HG1 VAL 14 -3.745 -4.193 2.808 98 HG12 VAL 14 2HG1 VAL 14 -3.664 -5.094 1.289 99 HG13 VAL 14 3HG1 VAL 14 -4.391 -5.840 2.709 100 HG21 VAL 14 3HG2 VAL 14 -1.126 -3.881 2.639 101 HG22 VAL 14 1HG2 VAL 14 -0.131 -5.339 2.453 102 HG23 VAL 14 2HG2 VAL 14 -1.181 -4.792 1.141 103 H LEU 15 H LEU 15 -1.663 -8.495 3.786 104 HA LEU 15 HA LEU 15 1.007 -8.489 5.140 105 HB2 LEU 15 1HB LEU 15 -1.090 -10.687 5.081 106 HB3 LEU 15 2HB LEU 15 0.557 -10.934 5.613 107 HG LEU 15 HG LEU 15 -1.498 -9.125 6.947 108 HD11 LEU 15 1HD1 LEU 15 -1.402 -10.834 8.748 109 HD12 LEU 15 2HD1 LEU 15 -0.264 -11.796 7.781 110 HD13 LEU 15 3HD1 LEU 15 -1.929 -11.535 7.223 111 HD21 LEU 15 3HD2 LEU 15 1.354 -9.790 7.811 112 HD22 LEU 15 1HD2 LEU 15 0.144 -8.915 8.782 113 HD23 LEU 15 2HD2 LEU 15 0.749 -8.193 7.301 114 HA PRO 16 HA PRO 16 2.540 -9.481 1.226 115 HB2 PRO 16 1HB PRO 16 4.754 -11.027 1.657 116 HB3 PRO 16 2HB PRO 16 4.657 -9.321 2.196 117 HG2 PRO 16 1HG PRO 16 4.017 -11.812 3.835 118 HG3 PRO 16 2HG PRO 16 5.163 -10.505 4.252 119 HD2 PRO 16 1HD PRO 16 2.653 -10.448 5.200 120 HD3 PRO 16 2HD PRO 16 3.366 -8.934 4.562 121 H GLU 17 H GLU 17 1.311 -12.065 3.105 122 HA GLU 17 HA GLU 17 1.580 -14.080 0.946 123 HB2 GLU 17 1HB GLU 17 1.636 -15.747 2.759 124 HB3 GLU 17 2HB GLU 17 2.942 -14.575 2.896 125 HG2 GLU 17 1HG GLU 17 1.636 -13.342 4.659 126 HG3 GLU 17 2HG GLU 17 0.365 -14.547 4.540 127 H GLU 18 H GLU 18 -0.525 -11.932 1.755 128 HA GLU 18 HA GLU 18 -2.953 -13.632 1.559 129 HB2 GLU 18 1HB GLU 18 -2.418 -11.364 3.509 130 HB3 GLU 18 2HB GLU 18 -4.005 -12.051 3.233 131 HG2 GLU 18 1HG GLU 18 -1.724 -13.745 4.294 132 HG3 GLU 18 2HG GLU 18 -2.774 -12.784 5.322 133 H LEU 19 H LEU 19 -1.313 -11.899 -0.334 134 HA LEU 19 HA LEU 19 -3.272 -9.728 -1.109 135 HB2 LEU 19 1HB LEU 19 -0.253 -9.955 -1.142 136 HB3 LEU 19 2HB LEU 19 -1.078 -8.925 -2.321 137 HG LEU 19 HG LEU 19 -1.423 -8.562 0.670 138 HD11 LEU 19 1HD1 LEU 19 0.926 -8.193 -0.029 139 HD12 LEU 19 2HD1 LEU 19 0.151 -6.666 0.389 140 HD13 LEU 19 3HD1 LEU 19 0.383 -7.103 -1.320 141 HD21 LEU 19 3HD2 LEU 19 -3.290 -7.623 -0.571 142 HD22 LEU 19 1HD2 LEU 19 -2.208 -6.944 -1.805 143 HD23 LEU 19 2HD2 LEU 19 -2.228 -6.284 -0.163 144 H LEU 20 H LEU 20 -4.257 -11.833 -1.930 145 HA LEU 20 HA LEU 20 -2.951 -12.786 -4.447 146 HB2 LEU 20 1HB LEU 20 -4.108 -14.301 -2.072 147 HB3 LEU 20 2HB LEU 20 -3.681 -15.066 -3.598 148 HG LEU 20 HG LEU 20 -1.602 -13.436 -2.089 149 HD11 LEU 20 1HD1 LEU 20 -2.459 -14.989 -0.450 150 HD12 LEU 20 2HD1 LEU 20 -0.803 -15.362 -0.940 151 HD13 LEU 20 3HD1 LEU 20 -2.154 -16.347 -1.564 152 HD21 LEU 20 3HD2 LEU 20 -0.055 -14.897 -3.274 153 HD22 LEU 20 1HD2 LEU 20 -1.130 -14.048 -4.394 154 HD23 LEU 20 2HD2 LEU 20 -1.423 -15.766 -4.023 155 H ASP 21 H ASP 21 -5.987 -12.547 -2.525 156 HA ASP 21 HA ASP 21 -7.714 -13.557 -4.445 157 HB2 ASP 21 1HB ASP 21 -8.236 -11.396 -2.363 158 HB3 ASP 21 2HB ASP 21 -9.473 -12.337 -3.213 159 H ASP 22 H ASP 22 -9.134 -12.534 -5.930 160 HA ASP 22 HA ASP 22 -8.077 -10.042 -7.170 161 HB2 ASP 22 1HB ASP 22 -8.483 -12.224 -8.439 162 HB3 ASP 22 2HB ASP 22 -10.214 -11.940 -8.191 163 H GLU 23 H GLU 23 -10.346 -10.945 -4.898 164 HA GLU 23 HA GLU 23 -12.410 -9.024 -5.788 165 HB2 GLU 23 1HB GLU 23 -14.023 -10.327 -4.551 166 HB3 GLU 23 2HB GLU 23 -13.221 -11.220 -5.846 167 HG2 GLU 23 1HG GLU 23 -11.734 -12.312 -4.245 168 HG3 GLU 23 2HG GLU 23 -12.414 -11.348 -2.931 169 H GLU 24 H GLU 24 -10.784 -10.074 -2.743 170 HA GLU 24 HA GLU 24 -11.922 -7.919 -1.239 171 HB2 GLU 24 1HB GLU 24 -11.015 -10.364 -0.634 172 HB3 GLU 24 2HB GLU 24 -9.478 -9.516 -0.410 173 HG2 GLU 24 1HG GLU 24 -10.469 -8.099 1.296 174 HG3 GLU 24 2HG GLU 24 -12.093 -8.638 0.832 175 H TYR 25 H TYR 25 -8.839 -8.545 -2.909 176 HA TYR 25 HA TYR 25 -7.354 -6.263 -2.181 177 HB2 TYR 25 1HB TYR 25 -6.433 -8.131 -3.434 178 HB3 TYR 25 2HB TYR 25 -7.543 -7.851 -4.765 179 HD1 TYR 25 2HD TYR 25 -7.361 -5.768 -6.153 180 HD2 TYR 25 1HD TYR 25 -4.261 -7.042 -3.425 181 HE1 TYR 25 2HE TYR 25 -5.826 -4.191 -7.220 182 HE2 TYR 25 1HE TYR 25 -2.672 -5.455 -4.534 183 HH TYR 25 HH TYR 25 -3.878 -3.013 -6.837 184 H GLU 26 H GLU 26 -10.178 -6.564 -4.395 185 HA GLU 26 HA GLU 26 -9.660 -4.043 -5.701 186 HB2 GLU 26 1HB GLU 26 -11.541 -6.357 -5.885 187 HB3 GLU 26 2HB GLU 26 -12.325 -4.799 -6.095 188 HG2 GLU 26 1HG GLU 26 -10.438 -4.207 -7.711 189 HG3 GLU 26 2HG GLU 26 -9.909 -5.884 -7.611 190 H GLU 27 H GLU 27 -11.650 -5.143 -3.013 191 HA GLU 27 HA GLU 27 -13.106 -2.724 -2.566 192 HB2 GLU 27 1HB GLU 27 -12.135 -4.672 -0.432 193 HB3 GLU 27 2HB GLU 27 -13.503 -3.564 -0.334 194 HG2 GLU 27 1HG GLU 27 -14.653 -4.842 -2.142 195 HG3 GLU 27 2HG GLU 27 -13.279 -5.959 -2.194 196 H ILE 28 H ILE 28 -9.995 -3.961 -1.319 197 HA ILE 28 HA ILE 28 -9.501 -1.843 0.468 198 HB ILE 28 HB ILE 28 -7.603 -3.754 -0.952 199 HG12 ILE 28 1HG1 ILE 28 -8.521 -3.902 1.948 200 HG13 ILE 28 2HG1 ILE 28 -9.512 -4.607 0.682 201 HG21 ILE 28 1HG2 ILE 28 -6.213 -1.993 -0.140 202 HG22 ILE 28 2HG2 ILE 28 -7.150 -1.859 1.375 203 HG23 ILE 28 3HG2 ILE 28 -6.084 -3.265 1.075 204 HD11 ILE 28 3HD1 ILE 28 -8.213 -6.356 1.580 205 HD12 ILE 28 1HD1 ILE 28 -7.550 -6.015 -0.018 206 HD13 ILE 28 2HD1 ILE 28 -6.694 -5.439 1.430 207 H VAL 29 H VAL 29 -9.238 -1.816 -2.978 208 HA VAL 29 HA VAL 29 -7.507 0.571 -3.025 209 HB VAL 29 HB VAL 29 -8.985 -0.948 -5.207 210 HG11 VAL 29 1HG1 VAL 29 -6.943 1.303 -5.481 211 HG12 VAL 29 2HG1 VAL 29 -7.574 0.311 -6.811 212 HG13 VAL 29 3HG1 VAL 29 -8.661 1.388 -5.932 213 HG21 VAL 29 3HG2 VAL 29 -6.830 -1.847 -5.811 214 HG22 VAL 29 1HG2 VAL 29 -5.987 -0.804 -4.619 215 HG23 VAL 29 2HG2 VAL 29 -7.017 -2.133 -4.097 216 H GLU 30 H GLU 30 -11.003 -0.277 -3.445 217 HA GLU 30 HA GLU 30 -11.731 2.458 -4.154 218 HB2 GLU 30 1HB GLU 30 -13.273 -0.088 -3.530 219 HB3 GLU 30 2HB GLU 30 -14.107 1.445 -3.792 220 HG2 GLU 30 1HG GLU 30 -12.109 0.499 -5.852 221 HG3 GLU 30 2HG GLU 30 -13.703 -0.239 -5.787 222 H ASP 31 H ASP 31 -11.847 0.503 -1.223 223 HA ASP 31 HA ASP 31 -13.252 2.105 0.570 224 HB2 ASP 31 1HB ASP 31 -12.288 -0.135 1.165 225 HB3 ASP 31 2HB ASP 31 -10.674 0.513 0.979 226 H VAL 32 H VAL 32 -9.874 2.218 -0.376 227 HA VAL 32 HA VAL 32 -9.267 4.446 1.423 228 HB VAL 32 HB VAL 32 -7.673 2.890 -0.658 229 HG11 VAL 32 1HG1 VAL 32 -6.655 5.080 -0.624 230 HG12 VAL 32 2HG1 VAL 32 -6.781 5.180 1.130 231 HG13 VAL 32 3HG1 VAL 32 -5.655 4.009 0.359 232 HG21 VAL 32 3HG2 VAL 32 -6.542 2.074 1.446 233 HG22 VAL 32 1HG2 VAL 32 -7.778 2.937 2.390 234 HG23 VAL 32 2HG2 VAL 32 -8.235 1.603 1.321 235 H ARG 33 H ARG 33 -10.162 3.989 -1.961 236 HA ARG 33 HA ARG 33 -9.379 6.629 -2.682 237 HB2 ARG 33 1HB ARG 33 -9.866 4.663 -4.250 238 HB3 ARG 33 2HB ARG 33 -11.592 4.989 -4.032 239 HG2 ARG 33 1HG ARG 33 -11.374 7.154 -5.096 240 HG3 ARG 33 2HG ARG 33 -9.606 7.076 -5.010 241 HD2 ARG 33 1HD ARG 33 -9.768 4.980 -6.492 242 HD3 ARG 33 2HD ARG 33 -11.454 5.428 -6.778 243 HE ARG 33 HE ARG 33 -10.231 7.724 -7.383 244 HH11 ARG 33 1HH1 ARG 33 -9.620 4.445 -8.588 245 HH12 ARG 33 2HH1 ARG 33 -8.459 4.907 -9.777 246 HH21 ARG 33 1HH2 ARG 33 -8.708 8.393 -9.075 247 HH22 ARG 33 2HH2 ARG 33 -8.197 7.219 -10.208 248 H ASP 34 H ASP 34 -12.353 5.335 -1.249 249 HA ASP 34 HA ASP 34 -13.716 7.900 -1.384 250 HB2 ASP 34 1HB ASP 34 -15.021 5.865 -1.340 251 HB3 ASP 34 2HB ASP 34 -14.303 5.378 0.211 252 H GLU 35 H GLU 35 -11.861 6.169 1.203 253 HA GLU 35 HA GLU 35 -12.377 8.165 3.238 254 HB2 GLU 35 1HB GLU 35 -11.124 7.082 4.610 255 HB3 GLU 35 2HB GLU 35 -11.504 5.775 3.491 256 HG2 GLU 35 1HG GLU 35 -9.319 5.550 4.040 257 HG3 GLU 35 2HG GLU 35 -9.166 6.350 2.448 258 H CYS 36 H CYS 36 -9.635 7.763 0.991 259 HA CYS 36 HA CYS 36 -8.293 9.956 2.137 260 HB2 CYS 36 1HB CYS 36 -7.322 7.927 1.009 261 HB3 CYS 36 2HB CYS 36 -7.771 8.649 -0.561 262 HG CYS 36 HG CYS 36 -5.181 8.841 0.021 263 H SER 37 H SER 37 -10.687 9.804 -0.439 264 HA SER 37 HA SER 37 -10.409 12.315 -1.662 265 HB2 SER 37 1HB SER 37 -12.553 10.319 -1.252 266 HB3 SER 37 2HB SER 37 -13.155 11.972 -1.341 267 HG SER 37 HG SER 37 -13.064 11.172 -3.366 268 H LYS 38 H LYS 38 -11.284 11.597 1.706 269 HA LYS 38 HA LYS 38 -12.653 14.144 2.160 270 HB2 LYS 38 1HB LYS 38 -11.537 12.059 4.084 271 HB3 LYS 38 2HB LYS 38 -12.508 13.452 4.544 272 HG2 LYS 38 1HG LYS 38 -14.379 12.688 3.221 273 HG3 LYS 38 2HG LYS 38 -13.490 11.276 2.625 274 HD2 LYS 38 1HD LYS 38 -13.338 10.278 4.771 275 HD3 LYS 38 2HD LYS 38 -13.854 11.713 5.600 276 HE2 LYS 38 1HE LYS 38 -15.553 9.777 4.023 277 HE3 LYS 38 2HE LYS 38 -15.671 10.215 5.718 278 HZ1 LYS 38 3HZ LYS 38 -16.613 11.612 3.327 279 HZ2 LYS 38 1HZ LYS 38 -16.309 12.510 4.691 280 HZ3 LYS 38 2HZ LYS 38 -17.387 11.290 4.728 281 H TYR 39 H TYR 39 -9.352 13.297 1.864 282 HA TYR 39 HA TYR 39 -8.499 15.644 3.528 283 HB2 TYR 39 1HB TYR 39 -7.000 13.107 2.781 284 HB3 TYR 39 2HB TYR 39 -6.325 14.464 3.674 285 HD1 TYR 39 2HD TYR 39 -8.860 11.730 3.797 286 HD2 TYR 39 1HD TYR 39 -6.846 14.863 6.006 287 HE1 TYR 39 2HE TYR 39 -9.923 10.938 5.832 288 HE2 TYR 39 1HE TYR 39 -7.823 13.975 8.108 289 HH TYR 39 HH TYR 39 -9.842 12.653 8.855 290 H GLY 40 H GLY 40 -8.618 14.502 0.255 291 HA2 GLY 40 1HA GLY 40 -7.418 16.790 -0.899 292 HA3 GLY 40 2HA GLY 40 -6.249 15.437 -0.856 293 H LEU 41 H LEU 41 -6.234 14.819 -2.946 294 HA LEU 41 HA LEU 41 -8.567 13.241 -3.677 295 HB2 LEU 41 1HB LEU 41 -8.924 15.319 -4.874 296 HB3 LEU 41 2HB LEU 41 -7.257 15.339 -5.391 297 HG LEU 41 HG LEU 41 -8.893 14.722 -7.164 298 HD11 LEU 41 1HD1 LEU 41 -6.458 13.656 -6.929 299 HD12 LEU 41 2HD1 LEU 41 -7.526 13.316 -8.286 300 HD13 LEU 41 3HD1 LEU 41 -7.395 12.170 -6.946 301 HD21 LEU 41 3HD2 LEU 41 -10.489 13.516 -5.671 302 HD22 LEU 41 1HD2 LEU 41 -9.340 12.174 -5.526 303 HD23 LEU 41 2HD2 LEU 41 -10.063 12.548 -7.091 304 H VAL 42 H VAL 42 -7.793 11.302 -3.901 305 HA VAL 42 HA VAL 42 -4.940 10.812 -4.085 306 HB VAL 42 HB VAL 42 -5.977 9.601 -2.431 307 HG11 VAL 42 1HG1 VAL 42 -7.875 8.051 -2.742 308 HG12 VAL 42 2HG1 VAL 42 -8.332 9.736 -2.955 309 HG13 VAL 42 3HG1 VAL 42 -8.113 8.695 -4.383 310 HG21 VAL 42 3HG2 VAL 42 -4.399 8.278 -3.826 311 HG22 VAL 42 1HG2 VAL 42 -5.587 7.292 -2.951 312 HG23 VAL 42 2HG2 VAL 42 -5.767 7.578 -4.688 313 H LYS 43 H LYS 43 -3.940 10.557 -5.824 314 HA LYS 43 HA LYS 43 -5.032 10.489 -8.501 315 HB2 LYS 43 1HB LYS 43 -2.845 11.511 -7.819 316 HB3 LYS 43 2HB LYS 43 -2.263 9.908 -7.394 317 HG2 LYS 43 1HG LYS 43 -1.354 10.478 -9.520 318 HG3 LYS 43 2HG LYS 43 -2.539 9.199 -9.757 319 HD2 LYS 43 1HD LYS 43 -3.794 11.856 -10.014 320 HD3 LYS 43 2HD LYS 43 -2.353 11.756 -11.017 321 HE2 LYS 43 1HE LYS 43 -3.131 9.546 -11.939 322 HE3 LYS 43 2HE LYS 43 -4.618 9.688 -11.019 323 HZ1 LYS 43 3HZ LYS 43 -4.151 12.003 -12.602 324 HZ2 LYS 43 1HZ LYS 43 -5.454 10.957 -12.555 325 HZ3 LYS 43 2HZ LYS 43 -4.151 10.627 -13.521 326 H SER 44 H SER 44 -3.087 8.072 -6.640 327 HA SER 44 HA SER 44 -4.724 5.836 -7.603 328 HB2 SER 44 1HB SER 44 -1.824 6.308 -8.432 329 HB3 SER 44 2HB SER 44 -2.712 4.787 -8.633 330 HG SER 44 HG SER 44 -2.736 6.168 -10.510 331 H ILE 45 H ILE 45 -3.719 3.731 -6.749 332 HA ILE 45 HA ILE 45 -2.182 4.051 -4.240 333 HB ILE 45 HB ILE 45 -4.659 2.335 -4.673 334 HG12 ILE 45 1HG1 ILE 45 -4.460 4.351 -2.424 335 HG13 ILE 45 2HG1 ILE 45 -4.835 4.924 -4.038 336 HG21 ILE 45 1HG2 ILE 45 -3.041 1.139 -3.254 337 HG22 ILE 45 2HG2 ILE 45 -2.836 2.572 -2.226 338 HG23 ILE 45 3HG2 ILE 45 -4.376 1.697 -2.254 339 HD11 ILE 45 3HD1 ILE 45 -6.398 2.803 -2.520 340 HD12 ILE 45 1HD1 ILE 45 -6.910 4.478 -2.829 341 HD13 ILE 45 2HD1 ILE 45 -6.756 3.337 -4.168 342 H GLU 46 H GLU 46 -0.715 2.421 -3.988 343 HA GLU 46 HA GLU 46 -0.422 0.510 -6.250 344 HB2 GLU 46 1HB GLU 46 1.091 2.596 -6.237 345 HB3 GLU 46 2HB GLU 46 1.886 1.892 -4.840 346 HG2 GLU 46 1HG GLU 46 3.055 1.400 -6.975 347 HG3 GLU 46 2HG GLU 46 2.541 -0.066 -6.146 348 H ILE 47 H ILE 47 -0.439 -1.561 -5.660 349 HA ILE 47 HA ILE 47 0.524 -2.388 -2.987 350 HB ILE 47 HB ILE 47 -2.055 -3.350 -4.239 351 HG12 ILE 47 1HG1 ILE 47 -1.730 -1.171 -2.180 352 HG13 ILE 47 2HG1 ILE 47 -2.416 -1.027 -3.797 353 HG21 ILE 47 1HG2 ILE 47 -0.980 -3.642 -1.387 354 HG22 ILE 47 2HG2 ILE 47 -2.435 -4.390 -2.047 355 HG23 ILE 47 3HG2 ILE 47 -0.863 -4.891 -2.640 356 HD11 ILE 47 3HD1 ILE 47 -4.197 -1.036 -2.216 357 HD12 ILE 47 1HD1 ILE 47 -4.273 -2.532 -3.177 358 HD13 ILE 47 2HD1 ILE 47 -3.644 -2.558 -1.508 359 HA PRO 48 HA PRO 48 2.296 -5.025 -6.388 360 HB2 PRO 48 1HB PRO 48 4.668 -5.595 -5.113 361 HB3 PRO 48 2HB PRO 48 4.397 -4.125 -6.098 362 HG2 PRO 48 1HG PRO 48 4.229 -4.417 -3.091 363 HG3 PRO 48 2HG PRO 48 5.006 -3.108 -4.026 364 HD2 PRO 48 1HD PRO 48 2.544 -2.813 -2.972 365 HD3 PRO 48 2HD PRO 48 2.989 -2.079 -4.543 366 H ARG 49 H ARG 49 1.545 -7.100 -6.373 367 HA ARG 49 HA ARG 49 1.088 -8.462 -3.754 368 HB2 ARG 49 1HB ARG 49 -0.227 -10.089 -5.329 369 HB3 ARG 49 2HB ARG 49 -0.979 -8.620 -4.749 370 HG2 ARG 49 1HG ARG 49 0.453 -8.534 -7.405 371 HG3 ARG 49 2HG ARG 49 -1.049 -9.422 -7.320 372 HD2 ARG 49 1HD ARG 49 -1.095 -6.711 -6.028 373 HD3 ARG 49 2HD ARG 49 -0.939 -6.735 -7.775 374 HE ARG 49 HE ARG 49 -3.215 -7.790 -6.180 375 HH11 ARG 49 1HH1 ARG 49 -1.838 -7.276 -9.426 376 HH12 ARG 49 2HH1 ARG 49 -3.164 -8.050 -10.229 377 HH21 ARG 49 1HH2 ARG 49 -4.916 -8.612 -7.173 378 HH22 ARG 49 2HH2 ARG 49 -4.973 -8.930 -8.865 379 HA PRO 50 HA PRO 50 4.217 -11.613 -4.751 380 HB2 PRO 50 1HB PRO 50 2.931 -13.875 -3.947 381 HB3 PRO 50 2HB PRO 50 3.668 -12.715 -2.802 382 HG2 PRO 50 1HG PRO 50 0.772 -12.808 -3.722 383 HG3 PRO 50 2HG PRO 50 1.377 -12.805 -2.029 384 HD2 PRO 50 1HD PRO 50 0.624 -10.512 -3.164 385 HD3 PRO 50 2HD PRO 50 2.161 -10.558 -2.272 386 H VAL 51 H VAL 51 4.577 -13.122 -6.126 387 HA VAL 51 HA VAL 51 2.770 -13.480 -8.456 388 HB VAL 51 HB VAL 51 5.716 -14.031 -8.437 389 HG11 VAL 51 1HG1 VAL 51 5.577 -13.225 -10.793 390 HG12 VAL 51 2HG1 VAL 51 4.586 -14.635 -10.463 391 HG13 VAL 51 3HG1 VAL 51 3.821 -13.032 -10.566 392 HG21 VAL 51 3HG2 VAL 51 4.515 -11.245 -8.492 393 HG22 VAL 51 1HG2 VAL 51 5.876 -11.841 -7.541 394 HG23 VAL 51 2HG2 VAL 51 6.095 -11.612 -9.266 395 H ASP 52 H ASP 52 3.163 -15.572 -9.575 396 HA ASP 52 HA ASP 52 2.554 -17.849 -7.995 397 HB2 ASP 52 1HB ASP 52 3.142 -17.166 -10.839 398 HB3 ASP 52 2HB ASP 52 3.118 -18.859 -10.380 399 H GLY 53 H GLY 53 4.351 -17.616 -6.584 400 HA2 GLY 53 1HA GLY 53 6.039 -19.127 -5.798 401 HA3 GLY 53 2HA GLY 53 6.605 -19.373 -7.444 402 H VAL 54 H VAL 54 6.091 -15.983 -7.039 403 HA VAL 54 HA VAL 54 8.915 -15.659 -6.150 404 HB VAL 54 HB VAL 54 7.755 -13.818 -8.239 405 HG11 VAL 54 1HG1 VAL 54 9.818 -13.234 -7.051 406 HG12 VAL 54 2HG1 VAL 54 10.566 -14.721 -7.615 407 HG13 VAL 54 3HG1 VAL 54 10.070 -13.464 -8.784 408 HG21 VAL 54 3HG2 VAL 54 7.462 -15.962 -9.361 409 HG22 VAL 54 1HG2 VAL 54 8.893 -15.174 -10.014 410 HG23 VAL 54 2HG2 VAL 54 9.066 -16.502 -8.824 411 H GLU 55 H GLU 55 9.191 -14.119 -4.592 412 HA GLU 55 HA GLU 55 6.936 -12.617 -3.612 413 HB2 GLU 55 1HB GLU 55 8.355 -11.637 -2.068 414 HB3 GLU 55 2HB GLU 55 8.875 -13.316 -2.202 415 HG2 GLU 55 1HG GLU 55 10.631 -12.635 -3.769 416 HG3 GLU 55 2HG GLU 55 10.202 -10.931 -3.600 417 H VAL 56 H VAL 56 7.362 -10.088 -3.416 418 HA VAL 56 HA VAL 56 8.424 -8.934 -5.905 419 HB VAL 56 HB VAL 56 6.639 -7.076 -5.033 420 HG11 VAL 56 1HG1 VAL 56 6.884 -7.826 -7.377 421 HG12 VAL 56 2HG1 VAL 56 5.990 -9.315 -6.991 422 HG13 VAL 56 3HG1 VAL 56 5.180 -7.734 -6.904 423 HG21 VAL 56 3HG2 VAL 56 5.682 -8.686 -3.358 424 HG22 VAL 56 1HG2 VAL 56 4.514 -8.016 -4.491 425 HG23 VAL 56 2HG2 VAL 56 5.125 -9.684 -4.712 426 HA PRO 57 HA PRO 57 10.920 -6.765 -2.949 427 HB2 PRO 57 1HB PRO 57 11.511 -4.426 -4.200 428 HB3 PRO 57 2HB PRO 57 12.168 -5.987 -4.767 429 HG2 PRO 57 1HG PRO 57 9.760 -4.495 -5.858 430 HG3 PRO 57 2HG PRO 57 11.111 -5.234 -6.770 431 HD2 PRO 57 1HD PRO 57 8.713 -6.502 -6.377 432 HD3 PRO 57 2HD PRO 57 10.251 -7.406 -6.458 433 H GLY 58 H GLY 58 10.304 -5.620 -1.165 434 HA2 GLY 58 1HA GLY 58 9.321 -4.026 0.167 435 HA3 GLY 58 2HA GLY 58 8.921 -3.114 -1.300 436 H CYS 59 H CYS 59 7.938 -6.440 -0.509 437 HA CYS 59 HA CYS 59 5.149 -5.826 -1.051 438 HB2 CYS 59 1HB CYS 59 6.477 -7.940 -1.583 439 HB3 CYS 59 2HB CYS 59 6.369 -8.359 0.123 440 HG CYS 59 HG CYS 59 3.830 -7.612 -1.926 441 H GLY 60 H GLY 60 3.450 -6.333 0.527 442 HA2 GLY 60 1HA GLY 60 2.485 -6.453 2.653 443 HA3 GLY 60 2HA GLY 60 4.065 -6.237 3.417 444 H LYS 61 H LYS 61 4.869 -3.865 1.892 445 HA LYS 61 HA LYS 61 3.405 -1.776 3.294 446 HB2 LYS 61 1HB LYS 61 5.324 -1.391 0.956 447 HB3 LYS 61 2HB LYS 61 4.808 -0.188 2.123 448 HG2 LYS 61 1HG LYS 61 6.797 -0.616 3.090 449 HG3 LYS 61 2HG LYS 61 5.996 -2.039 3.781 450 HD2 LYS 61 1HD LYS 61 6.703 -3.318 1.722 451 HD3 LYS 61 2HD LYS 61 7.639 -1.922 1.176 452 HE2 LYS 61 1HE LYS 61 8.019 -3.247 3.863 453 HE3 LYS 61 2HE LYS 61 8.784 -3.889 2.400 454 HZ1 LYS 61 3HZ LYS 61 9.974 -1.777 2.207 455 HZ2 LYS 61 1HZ LYS 61 10.244 -2.484 3.665 456 HZ3 LYS 61 2HZ LYS 61 9.229 -1.203 3.548 457 H ILE 62 H ILE 62 2.452 0.158 1.986 458 HA ILE 62 HA ILE 62 1.367 -0.474 -0.679 459 HB ILE 62 HB ILE 62 -0.212 0.478 1.733 460 HG12 ILE 62 1HG1 ILE 62 -0.380 -1.776 -0.292 461 HG13 ILE 62 2HG1 ILE 62 -0.249 -1.894 1.460 462 HG21 ILE 62 1HG2 ILE 62 -1.019 0.804 -1.184 463 HG22 ILE 62 2HG2 ILE 62 -2.057 1.103 0.229 464 HG23 ILE 62 3HG2 ILE 62 -0.660 2.110 -0.042 465 HD11 ILE 62 3HD1 ILE 62 -2.698 -1.032 -0.114 466 HD12 ILE 62 1HD1 ILE 62 -2.458 -2.565 0.730 467 HD13 ILE 62 2HD1 ILE 62 -2.613 -1.043 1.639 468 H PHE 63 H PHE 63 1.417 1.482 -1.928 469 HA PHE 63 HA PHE 63 2.311 3.996 -0.535 470 HB2 PHE 63 1HB PHE 63 2.856 3.361 -3.421 471 HB3 PHE 63 2HB PHE 63 3.542 4.635 -2.401 472 HD1 PHE 63 1HD PHE 63 5.175 3.966 -0.546 473 HD2 PHE 63 2HD PHE 63 3.762 1.151 -3.491 474 HE1 PHE 63 1HE PHE 63 6.944 2.340 0.139 475 HE2 PHE 63 2HE PHE 63 5.445 -0.456 -2.770 476 HZ PHE 63 HZ PHE 63 7.070 0.126 -0.944 477 H VAL 64 H VAL 64 1.274 5.945 -1.454 478 HA VAL 64 HA VAL 64 -0.926 5.501 -3.325 479 HB VAL 64 HB VAL 64 -1.974 5.177 -1.143 480 HG11 VAL 64 1HG1 VAL 64 -2.172 6.925 0.547 481 HG12 VAL 64 2HG1 VAL 64 -0.467 6.463 0.337 482 HG13 VAL 64 3HG1 VAL 64 -1.111 7.963 -0.361 483 HG21 VAL 64 3HG2 VAL 64 -3.761 6.792 -1.218 484 HG22 VAL 64 1HG2 VAL 64 -2.771 7.908 -2.184 485 HG23 VAL 64 2HG2 VAL 64 -3.281 6.345 -2.857 486 H GLU 65 H GLU 65 -1.534 7.638 -4.309 487 HA GLU 65 HA GLU 65 0.641 9.688 -4.161 488 HB2 GLU 65 1HB GLU 65 1.114 8.200 -6.003 489 HB3 GLU 65 2HB GLU 65 -0.570 8.167 -6.484 490 HG2 GLU 65 1HG GLU 65 0.025 9.562 -8.061 491 HG3 GLU 65 2HG GLU 65 -0.121 10.809 -6.877 492 H PHE 66 H PHE 66 -0.064 11.768 -4.582 493 HA PHE 66 HA PHE 66 -3.019 12.274 -4.425 494 HB2 PHE 66 1HB PHE 66 -0.675 13.660 -3.128 495 HB3 PHE 66 2HB PHE 66 -2.152 14.524 -3.425 496 HD1 PHE 66 2HD PHE 66 -4.311 13.963 -2.292 497 HD2 PHE 66 1HD PHE 66 -0.583 12.056 -1.460 498 HE1 PHE 66 2HE PHE 66 -5.233 13.104 -0.136 499 HE2 PHE 66 1HE PHE 66 -1.539 11.002 0.598 500 HZ PHE 66 HZ PHE 66 -3.895 11.511 1.227 501 H THR 67 H THR 67 -3.345 14.756 -5.060 502 HA THR 67 HA THR 67 -2.265 14.984 -7.799 503 HB THR 67 HB THR 67 -3.892 17.059 -7.691 504 HG1 THR 67 1HG THR 67 -4.407 16.225 -5.245 505 HG21 THR 67 3HG2 THR 67 -4.571 14.101 -7.868 506 HG22 THR 67 1HG2 THR 67 -4.171 15.203 -9.186 507 HG23 THR 67 2HG2 THR 67 -5.718 15.378 -8.328 508 H SER 68 H SER 68 -1.686 16.505 -4.535 509 HA SER 68 HA SER 68 0.554 17.970 -5.812 510 HB2 SER 68 1HB SER 68 -1.545 19.409 -5.408 511 HB3 SER 68 2HB SER 68 -1.332 19.080 -3.686 512 HG SER 68 HG SER 68 0.369 20.423 -5.506 513 H VAL 69 H VAL 69 1.883 18.893 -3.940 514 HA VAL 69 HA VAL 69 2.453 16.853 -1.887 515 HB VAL 69 HB VAL 69 3.444 19.735 -2.067 516 HG11 VAL 69 1HG1 VAL 69 3.716 18.532 0.105 517 HG12 VAL 69 2HG1 VAL 69 4.582 17.244 -0.752 518 HG13 VAL 69 3HG1 VAL 69 5.277 18.888 -0.670 519 HG21 VAL 69 3HG2 VAL 69 5.535 18.876 -3.028 520 HG22 VAL 69 1HG2 VAL 69 4.872 17.245 -3.081 521 HG23 VAL 69 2HG2 VAL 69 4.194 18.523 -4.114 522 H PHE 70 H PHE 70 0.585 19.881 -2.328 523 HA PHE 70 HA PHE 70 0.486 20.415 0.516 524 HB2 PHE 70 1HB PHE 70 -0.423 21.741 -1.975 525 HB3 PHE 70 2HB PHE 70 -1.520 21.959 -0.627 526 HD1 PHE 70 1HD PHE 70 -0.865 23.073 1.450 527 HD2 PHE 70 2HD PHE 70 1.908 22.655 -1.833 528 HE1 PHE 70 1HE PHE 70 0.568 24.845 2.426 529 HE2 PHE 70 2HE PHE 70 3.290 24.482 -0.893 530 HZ PHE 70 HZ PHE 70 2.622 25.586 1.243 531 H ASP 71 H ASP 71 -1.651 18.582 -1.613 532 HA ASP 71 HA ASP 71 -3.806 18.448 0.372 533 HB2 ASP 71 1HB ASP 71 -4.969 17.146 -1.243 534 HB3 ASP 71 2HB ASP 71 -4.284 18.560 -2.082 535 H CYS 72 H CYS 72 -1.164 16.567 -0.944 536 HA CYS 72 HA CYS 72 -1.448 14.268 0.561 537 HB2 CYS 72 1HB CYS 72 0.205 14.782 -1.329 538 HB3 CYS 72 2HB CYS 72 1.249 15.563 -0.148 539 HG CYS 72 HG CYS 72 1.888 13.469 1.215 540 H GLN 73 H GLN 73 0.329 17.229 1.502 541 HA GLN 73 HA GLN 73 1.281 16.460 4.016 542 HB2 GLN 73 1HB GLN 73 0.585 19.058 2.646 543 HB3 GLN 73 2HB GLN 73 0.865 19.107 4.379 544 HG2 GLN 73 1HG GLN 73 3.057 18.107 4.156 545 HG3 GLN 73 2HG GLN 73 2.820 17.878 2.409 546 HE21 GLN 73 1HE2 GLN 73 4.498 19.214 1.667 547 HE22 GLN 73 2HE2 GLN 73 4.485 20.948 1.950 548 H LYS 74 H LYS 74 -2.057 17.223 3.179 549 HA LYS 74 HA LYS 74 -2.830 17.850 5.926 550 HB2 LYS 74 1HB LYS 74 -4.625 17.116 3.564 551 HB3 LYS 74 2HB LYS 74 -5.071 17.975 5.020 552 HG2 LYS 74 1HG LYS 74 -2.911 19.482 3.872 553 HG3 LYS 74 2HG LYS 74 -3.866 18.919 2.501 554 HD2 LYS 74 1HD LYS 74 -5.873 20.045 3.606 555 HD3 LYS 74 2HD LYS 74 -4.773 20.597 4.892 556 HE2 LYS 74 1HE LYS 74 -3.308 21.623 3.083 557 HE3 LYS 74 2HE LYS 74 -4.556 21.198 1.906 558 HZ1 LYS 74 3HZ LYS 74 -4.765 23.472 2.620 559 HZ2 LYS 74 1HZ LYS 74 -4.915 23.053 4.195 560 HZ3 LYS 74 2HZ LYS 74 -6.088 22.627 3.124 561 H ALA 75 H ALA 75 -3.147 15.175 3.600 562 HA ALA 75 HA ALA 75 -4.566 13.387 5.275 563 HB1 ALA 75 1HB ALA 75 -4.368 13.173 2.822 564 HB2 ALA 75 2HB ALA 75 -2.632 12.813 2.983 565 HB3 ALA 75 3HB ALA 75 -3.836 11.692 3.643 566 H MET 76 H MET 76 -0.962 13.817 4.821 567 HA MET 76 HA MET 76 0.002 11.676 6.076 568 HB2 MET 76 1HB MET 76 1.038 14.142 5.346 569 HB3 MET 76 2HB MET 76 1.302 14.143 7.080 570 HG2 MET 76 1HG MET 76 2.136 11.621 6.166 571 HG3 MET 76 2HG MET 76 2.830 12.805 5.081 572 HE1 MET 76 3HE MET 76 4.318 10.836 6.910 573 HE2 MET 76 1HE MET 76 4.658 11.323 8.607 574 HE3 MET 76 2HE MET 76 2.978 10.981 8.089 575 H GLN 77 H GLN 77 -0.680 14.682 7.935 576 HA GLN 77 HA GLN 77 -0.569 13.230 10.479 577 HB2 GLN 77 1HB GLN 77 -1.291 16.137 9.855 578 HB3 GLN 77 2HB GLN 77 -1.088 15.439 11.461 579 HG2 GLN 77 1HG GLN 77 1.305 14.774 10.642 580 HG3 GLN 77 2HG GLN 77 1.030 15.980 9.374 581 HE21 GLN 77 1HE2 GLN 77 1.048 18.280 10.024 582 HE22 GLN 77 2HE2 GLN 77 1.282 18.744 11.697 583 H GLY 78 H GLY 78 -3.062 14.141 8.199 584 HA2 GLY 78 1HA GLY 78 -5.361 14.199 9.862 585 HA3 GLY 78 2HA GLY 78 -5.288 13.683 8.166 586 H LEU 79 H LEU 79 -3.543 11.555 8.281 587 HA LEU 79 HA LEU 79 -5.413 9.600 9.410 588 HB2 LEU 79 1HB LEU 79 -3.688 9.619 6.919 589 HB3 LEU 79 2HB LEU 79 -4.698 8.276 7.410 590 HG LEU 79 HG LEU 79 -5.813 11.059 6.834 591 HD11 LEU 79 1HD1 LEU 79 -5.914 8.566 5.106 592 HD12 LEU 79 2HD1 LEU 79 -4.882 10.004 4.777 593 HD13 LEU 79 3HD1 LEU 79 -6.658 10.099 4.746 594 HD21 LEU 79 3HD2 LEU 79 -7.324 9.742 8.282 595 HD22 LEU 79 1HD2 LEU 79 -7.178 8.337 7.145 596 HD23 LEU 79 2HD2 LEU 79 -7.958 9.787 6.634 597 H THR 80 H THR 80 -2.249 10.537 10.143 598 HA THR 80 HA THR 80 -0.941 8.173 10.835 599 HB THR 80 HB THR 80 -1.373 10.755 12.411 600 HG1 THR 80 1HG THR 80 0.622 9.996 10.552 601 HG21 THR 80 3HG2 THR 80 -0.416 9.042 13.903 602 HG22 THR 80 1HG2 THR 80 0.791 10.282 13.512 603 HG23 THR 80 2HG2 THR 80 0.846 8.701 12.718 604 H GLY 81 H GLY 81 -1.824 6.357 11.850 605 HA2 GLY 81 1HA GLY 81 -2.491 5.298 13.808 606 HA3 GLY 81 2HA GLY 81 -3.231 6.778 14.406 607 H ARG 82 H ARG 82 -4.278 6.261 11.184 608 HA ARG 82 HA ARG 82 -6.944 5.415 11.907 609 HB2 ARG 82 1HB ARG 82 -5.355 5.678 9.329 610 HB3 ARG 82 2HB ARG 82 -7.040 5.243 9.324 611 HG2 ARG 82 1HG ARG 82 -6.133 7.764 10.725 612 HG3 ARG 82 2HG ARG 82 -6.351 7.678 8.990 613 HD2 ARG 82 1HD ARG 82 -8.600 7.802 9.120 614 HD3 ARG 82 2HD ARG 82 -8.660 6.541 10.346 615 HE ARG 82 HE ARG 82 -7.689 9.124 11.332 616 HH11 ARG 82 1HH1 ARG 82 -10.676 7.318 10.745 617 HH12 ARG 82 2HH1 ARG 82 -11.384 7.736 12.266 618 HH21 ARG 82 1HH2 ARG 82 -8.652 9.855 13.178 619 HH22 ARG 82 2HH2 ARG 82 -10.199 9.227 13.690 620 H LYS 83 H LYS 83 -7.835 3.529 10.356 621 HA LYS 83 HA LYS 83 -5.942 1.314 10.117 622 HB2 LYS 83 1HB LYS 83 -8.890 0.911 10.781 623 HB3 LYS 83 2HB LYS 83 -7.626 -0.295 10.623 624 HG2 LYS 83 1HG LYS 83 -7.734 -0.183 12.882 625 HG3 LYS 83 2HG LYS 83 -6.498 1.047 12.651 626 HD2 LYS 83 1HD LYS 83 -8.320 2.786 12.818 627 HD3 LYS 83 2HD LYS 83 -9.496 1.479 13.018 628 HE2 LYS 83 1HE LYS 83 -8.300 0.739 15.067 629 HE3 LYS 83 2HE LYS 83 -7.170 2.105 14.884 630 HZ1 LYS 83 3HZ LYS 83 -9.019 2.565 16.420 631 HZ2 LYS 83 1HZ LYS 83 -10.095 2.376 15.192 632 HZ3 LYS 83 2HZ LYS 83 -9.024 3.609 15.129 633 H PHE 84 H PHE 84 -5.973 0.566 7.974 634 HA PHE 84 HA PHE 84 -8.193 1.475 6.183 635 HB2 PHE 84 1HB PHE 84 -5.251 1.034 5.694 636 HB3 PHE 84 2HB PHE 84 -6.368 0.861 4.381 637 HD1 PHE 84 2HD PHE 84 -7.324 3.580 6.696 638 HD2 PHE 84 1HD PHE 84 -5.049 2.520 3.173 639 HE1 PHE 84 2HE PHE 84 -7.243 5.934 6.045 640 HE2 PHE 84 1HE PHE 84 -5.064 4.938 2.496 641 HZ PHE 84 HZ PHE 84 -6.085 6.597 3.934 642 H ALA 85 H ALA 85 -7.846 -0.866 8.025 643 HA ALA 85 HA ALA 85 -9.453 -2.595 6.569 644 HB1 ALA 85 1HB ALA 85 -7.691 -3.711 5.492 645 HB2 ALA 85 2HB ALA 85 -6.604 -3.592 6.877 646 HB3 ALA 85 3HB ALA 85 -7.989 -4.702 6.919 647 H ASN 86 H ASN 86 -6.998 -3.333 9.076 648 HA ASN 86 HA ASN 86 -8.985 -2.554 11.122 649 HB2 ASN 86 1HB ASN 86 -9.278 -5.073 10.383 650 HB3 ASN 86 2HB ASN 86 -7.857 -5.335 11.401 651 HD21 ASN 86 1HD2 ASN 86 -8.378 -5.637 13.701 652 HD22 ASN 86 2HD2 ASN 86 -9.978 -5.184 14.272 653 H ARG 87 H ARG 87 -5.678 -2.907 10.232 654 HA ARG 87 HA ARG 87 -4.814 -2.806 13.097 655 HB2 ARG 87 1HB ARG 87 -3.116 -3.051 10.608 656 HB3 ARG 87 2HB ARG 87 -2.573 -3.200 12.274 657 HG2 ARG 87 1HG ARG 87 -3.888 -5.250 12.585 658 HG3 ARG 87 2HG ARG 87 -4.562 -5.066 10.962 659 HD2 ARG 87 1HD ARG 87 -2.822 -6.674 10.793 660 HD3 ARG 87 2HD ARG 87 -2.261 -5.214 9.995 661 HE ARG 87 HE ARG 87 -0.712 -4.807 11.726 662 HH11 ARG 87 1HH1 ARG 87 -2.326 -7.902 12.221 663 HH12 ARG 87 2HH1 ARG 87 -1.420 -8.331 13.623 664 HH21 ARG 87 1HH2 ARG 87 0.527 -5.335 13.553 665 HH22 ARG 87 2HH2 ARG 87 0.282 -6.871 14.323 666 H VAL 88 H VAL 88 -2.994 -1.331 13.520 667 HA VAL 88 HA VAL 88 -3.903 1.379 12.950 668 HB VAL 88 HB VAL 88 -1.307 0.548 14.359 669 HG11 VAL 88 1HG1 VAL 88 -1.567 2.698 15.526 670 HG12 VAL 88 2HG1 VAL 88 -1.460 2.959 13.798 671 HG13 VAL 88 3HG1 VAL 88 -3.043 3.051 14.609 672 HG21 VAL 88 3HG2 VAL 88 -2.699 0.859 16.501 673 HG22 VAL 88 1HG2 VAL 88 -4.146 0.867 15.486 674 HG23 VAL 88 2HG2 VAL 88 -3.129 -0.588 15.568 675 H VAL 89 H VAL 89 -3.090 2.789 11.507 676 HA VAL 89 HA VAL 89 -0.981 1.883 9.681 677 HB VAL 89 HB VAL 89 -3.151 4.013 9.529 678 HG11 VAL 89 1HG1 VAL 89 -1.388 4.836 8.165 679 HG12 VAL 89 2HG1 VAL 89 -1.037 3.212 7.500 680 HG13 VAL 89 3HG1 VAL 89 -2.553 4.053 7.117 681 HG21 VAL 89 3HG2 VAL 89 -2.787 1.288 8.200 682 HG22 VAL 89 1HG2 VAL 89 -3.977 1.683 9.435 683 HG23 VAL 89 2HG2 VAL 89 -4.116 2.444 7.851 684 H VAL 90 H VAL 90 0.824 2.905 9.276 685 HA VAL 90 HA VAL 90 1.449 5.477 10.585 686 HB VAL 90 HB VAL 90 2.785 3.874 11.640 687 HG11 VAL 90 1HG1 VAL 90 4.291 2.328 10.639 688 HG12 VAL 90 2HG1 VAL 90 2.686 2.015 9.984 689 HG13 VAL 90 3HG1 VAL 90 3.889 2.902 9.011 690 HG21 VAL 90 3HG2 VAL 90 3.942 5.936 11.177 691 HG22 VAL 90 1HG2 VAL 90 5.073 4.596 11.080 692 HG23 VAL 90 2HG2 VAL 90 4.465 5.344 9.585 693 H THR 91 H THR 91 1.326 7.122 9.273 694 HA THR 91 HA THR 91 1.667 6.771 6.387 695 HB THR 91 HB THR 91 1.493 9.373 6.655 696 HG1 THR 91 1HG THR 91 0.245 9.987 8.494 697 HG21 THR 91 3HG2 THR 91 -0.991 7.793 7.384 698 HG22 THR 91 1HG2 THR 91 -0.284 7.827 5.761 699 HG23 THR 91 2HG2 THR 91 -0.863 9.350 6.506 700 H LYS 92 H LYS 92 3.534 7.423 5.366 701 HA LYS 92 HA LYS 92 5.499 9.138 6.721 702 HB2 LYS 92 1HB LYS 92 6.186 6.588 5.230 703 HB3 LYS 92 2HB LYS 92 7.343 7.824 5.706 704 HG2 LYS 92 1HG LYS 92 7.032 7.304 8.063 705 HG3 LYS 92 2HG LYS 92 5.727 6.158 7.682 706 HD2 LYS 92 1HD LYS 92 7.298 4.878 6.235 707 HD3 LYS 92 2HD LYS 92 8.586 6.011 6.674 708 HE2 LYS 92 1HE LYS 92 8.403 5.275 9.032 709 HE3 LYS 92 2HE LYS 92 7.163 4.087 8.550 710 HZ1 LYS 92 3HZ LYS 92 8.780 3.018 7.158 711 HZ2 LYS 92 1HZ LYS 92 9.481 3.221 8.641 712 HZ3 LYS 92 2HZ LYS 92 9.876 4.216 7.407 713 H TYR 93 H TYR 93 6.912 10.048 4.824 714 HA TYR 93 HA TYR 93 5.409 10.356 2.307 715 HB2 TYR 93 1HB TYR 93 8.028 11.308 3.454 716 HB3 TYR 93 2HB TYR 93 7.710 11.463 1.707 717 HD1 TYR 93 2HD TYR 93 5.537 12.657 0.972 718 HD2 TYR 93 1HD TYR 93 7.088 12.841 5.006 719 HE1 TYR 93 2HE TYR 93 4.012 14.510 1.460 720 HE2 TYR 93 1HE TYR 93 5.492 14.679 5.523 721 HH TYR 93 HH TYR 93 3.788 15.985 4.760 722 H CYS 94 H CYS 94 6.487 9.679 0.223 723 HA CYS 94 HA CYS 94 8.515 7.572 0.483 724 HB2 CYS 94 1HB CYS 94 5.872 6.882 -0.188 725 HB3 CYS 94 2HB CYS 94 6.666 7.010 -1.758 726 HG CYS 94 HG CYS 94 8.577 5.345 -1.362 727 H ASP 95 H ASP 95 8.805 7.206 -2.416 728 HA ASP 95 HA ASP 95 9.412 9.992 -3.272 729 HB2 ASP 95 1HB ASP 95 10.909 7.448 -3.981 730 HB3 ASP 95 2HB ASP 95 11.208 9.064 -4.637 731 HA PRO 96 HA PRO 96 6.491 8.665 -6.408 732 HB2 PRO 96 1HB PRO 96 6.738 10.676 -8.254 733 HB3 PRO 96 2HB PRO 96 5.938 10.893 -6.678 734 HG2 PRO 96 1HG PRO 96 8.737 11.641 -7.469 735 HG3 PRO 96 2HG PRO 96 7.589 12.576 -6.489 736 HD2 PRO 96 1HD PRO 96 9.618 11.068 -5.398 737 HD3 PRO 96 2HD PRO 96 8.061 11.336 -4.571 738 H ASP 97 H ASP 97 9.868 9.307 -7.167 739 HA ASP 97 HA ASP 97 10.045 8.422 -9.841 740 HB2 ASP 97 1HB ASP 97 11.827 9.290 -8.001 741 HB3 ASP 97 2HB ASP 97 12.226 7.570 -7.955 742 H SER 98 H SER 98 10.726 6.528 -6.907 743 HA SER 98 HA SER 98 10.883 4.041 -8.089 744 HB2 SER 98 1HB SER 98 10.218 4.441 -5.183 745 HB3 SER 98 2HB SER 98 11.412 3.365 -5.929 746 HG SER 98 HG SER 98 12.476 5.184 -4.966 747 H TYR 99 H TYR 99 8.151 5.900 -7.111 748 HA TYR 99 HA TYR 99 6.193 3.836 -6.565 749 HB2 TYR 99 1HB TYR 99 6.130 6.183 -5.671 750 HB3 TYR 99 2HB TYR 99 5.849 6.769 -7.304 751 HD1 TYR 99 2HD TYR 99 3.725 6.035 -8.558 752 HD2 TYR 99 1HD TYR 99 4.315 5.757 -4.296 753 HE1 TYR 99 2HE TYR 99 1.320 5.670 -8.264 754 HE2 TYR 99 1HE TYR 99 1.902 5.495 -3.993 755 HH TYR 99 HH TYR 99 -0.187 4.672 -6.715 756 H HIS 100 H HIS 100 6.944 6.010 -9.366 757 HA HIS 100 HA HIS 100 4.929 4.927 -11.090 758 HB2 HIS 100 1HB HIS 100 7.661 6.076 -11.816 759 HB3 HIS 100 2HB HIS 100 6.345 5.780 -12.945 760 HD1 HIS 100 1HD HIS 100 7.749 8.477 -10.992 761 HD2 HIS 100 2HD HIS 100 3.882 7.198 -11.988 762 HE1 HIS 100 1HE HIS 100 6.230 10.519 -10.687 763 H ARG 101 H ARG 101 8.160 3.874 -10.185 764 HA ARG 101 HA ARG 101 8.068 1.652 -12.142 765 HB2 ARG 101 1HB ARG 101 10.448 2.664 -10.536 766 HB3 ARG 101 2HB ARG 101 10.425 1.488 -11.866 767 HG2 ARG 101 1HG ARG 101 9.252 3.443 -13.220 768 HG3 ARG 101 2HG ARG 101 9.932 4.481 -11.979 769 HD2 ARG 101 1HD ARG 101 11.351 4.404 -13.980 770 HD3 ARG 101 2HD ARG 101 12.189 3.790 -12.552 771 HE ARG 101 HE ARG 101 12.510 1.852 -13.595 772 HH11 ARG 101 1HH1 ARG 101 9.564 3.198 -15.235 773 HH12 ARG 101 2HH1 ARG 101 9.381 1.818 -16.232 774 HH21 ARG 101 1HH2 ARG 101 12.096 0.032 -14.846 775 HH22 ARG 101 2HH2 ARG 101 10.834 0.001 -16.026 776 H ARG 102 H ARG 102 9.743 -0.211 -10.720 777 HA ARG 102 HA ARG 102 8.022 -0.988 -8.417 778 HB2 ARG 102 1HB ARG 102 8.997 -2.698 -10.743 779 HB3 ARG 102 2HB ARG 102 8.577 -3.390 -9.181 780 HG2 ARG 102 1HG ARG 102 6.856 -3.420 -11.140 781 HG3 ARG 102 2HG ARG 102 6.400 -3.279 -9.435 782 HD2 ARG 102 1HD ARG 102 6.173 -0.959 -9.575 783 HD3 ARG 102 2HD ARG 102 6.761 -0.894 -11.235 784 HE ARG 102 HE ARG 102 4.533 -2.472 -11.363 785 HH11 ARG 102 1HH1 ARG 102 5.331 0.829 -10.086 786 HH12 ARG 102 2HH1 ARG 102 3.775 1.469 -10.452 787 HH21 ARG 102 1HH2 ARG 102 2.408 -1.487 -11.799 788 HH22 ARG 102 2HH2 ARG 102 2.183 0.201 -11.445 789 H ASP 103 H ASP 103 9.995 0.515 -7.748 790 HA ASP 103 HA ASP 103 12.215 -1.342 -6.992 791 HB2 ASP 103 1HB ASP 103 12.387 0.972 -8.626 792 HB3 ASP 103 2HB ASP 103 13.178 1.379 -7.131 793 H PHE 104 H PHE 104 9.891 -1.155 -5.693 794 HA PHE 104 HA PHE 104 9.775 0.537 -3.423 795 HB2 PHE 104 1HB PHE 104 8.823 -2.322 -3.576 796 HB3 PHE 104 2HB PHE 104 8.114 -1.005 -2.675 797 HD1 PHE 104 1HD PHE 104 7.652 1.150 -4.561 798 HD2 PHE 104 2HD PHE 104 7.454 -3.109 -5.278 799 HE1 PHE 104 1HE PHE 104 6.162 1.528 -6.518 800 HE2 PHE 104 2HE PHE 104 5.946 -2.679 -7.235 801 HZ PHE 104 HZ PHE 104 5.288 -0.397 -7.799 802 H TRP 105 H TRP 105 10.576 0.174 -1.265 803 HA TRP 105 HA TRP 105 12.350 -2.106 -0.877 804 HB2 TRP 105 1HB TRP 105 13.376 0.459 -1.495 805 HB3 TRP 105 2HB TRP 105 13.535 0.324 0.242 806 HD1 TRP 105 HD TRP 105 14.151 -2.232 -2.629 807 HE1 TRP 105 1HE TRP 105 16.469 -3.260 -2.379 808 HE3 TRP 105 3HE TRP 105 15.813 0.523 1.362 809 HZ2 TRP 105 2HZ TRP 105 18.779 -2.911 -0.693 810 HZ3 TRP 105 3HZ TRP 105 18.122 0.231 2.198 811 HH2 TRP 105 HH TRP 105 19.628 -1.488 1.190 Start of MODEL 3 1 H1 GLY 1 H GLY 1 9.894 11.952 5.391 2 HA2 GLY 1 1HA GLY 1 12.637 12.100 6.501 3 HA3 GLY 1 2HA GLY 1 11.922 10.620 5.835 4 H GLY 2 H GLY 2 14.114 12.885 5.016 5 HA2 GLY 2 1HA GLY 2 15.062 13.347 2.983 6 HA3 GLY 2 2HA GLY 2 13.774 12.496 2.127 7 H HIS 3 H HIS 3 11.892 13.710 1.513 8 HA HIS 3 HA HIS 3 11.613 16.493 2.336 9 HB2 HIS 3 1HB HIS 3 11.466 17.253 0.027 10 HB3 HIS 3 2HB HIS 3 13.080 16.682 0.413 11 HD1 HIS 3 1HD HIS 3 13.379 13.874 -0.628 12 HD2 HIS 3 2HD HIS 3 10.773 16.712 -2.343 13 HE1 HIS 3 1HE HIS 3 13.023 13.154 -3.003 14 HA PRO 4 HA PRO 4 7.287 15.292 1.839 15 HB2 PRO 4 1HB PRO 4 6.189 17.736 1.009 16 HB3 PRO 4 2HB PRO 4 6.532 17.331 2.712 17 HG2 PRO 4 1HG PRO 4 8.214 18.925 0.709 18 HG3 PRO 4 2HG PRO 4 7.955 19.272 2.446 19 HD2 PRO 4 1HD PRO 4 10.224 18.147 1.590 20 HD3 PRO 4 2HD PRO 4 9.486 17.697 3.139 21 H THR 5 H THR 5 6.348 14.315 0.122 22 HA THR 5 HA THR 5 6.722 15.287 -2.638 23 HB THR 5 HB THR 5 7.144 12.905 -3.315 24 HG1 THR 5 1HG THR 5 7.985 11.694 -1.291 25 HG21 THR 5 3HG2 THR 5 9.488 12.767 -2.568 26 HG22 THR 5 1HG2 THR 5 9.192 13.956 -1.307 27 HG23 THR 5 2HG2 THR 5 9.054 14.418 -3.017 28 H GLU 6 H GLU 6 5.028 14.053 -4.028 29 HA GLU 6 HA GLU 6 2.475 14.266 -2.674 30 HB2 GLU 6 1HB GLU 6 2.912 13.265 -5.493 31 HB3 GLU 6 2HB GLU 6 1.463 14.003 -4.817 32 HG2 GLU 6 1HG GLU 6 2.941 16.003 -4.313 33 HG3 GLU 6 2HG GLU 6 4.149 15.333 -5.389 34 H VAL 7 H VAL 7 4.648 11.739 -2.793 35 HA VAL 7 HA VAL 7 2.626 9.585 -2.940 36 HB VAL 7 HB VAL 7 5.661 9.380 -3.024 37 HG11 VAL 7 1HG1 VAL 7 5.249 7.147 -3.947 38 HG12 VAL 7 2HG1 VAL 7 4.505 7.278 -2.346 39 HG13 VAL 7 3HG1 VAL 7 3.486 7.376 -3.800 40 HG21 VAL 7 3HG2 VAL 7 5.021 10.639 -4.948 41 HG22 VAL 7 1HG2 VAL 7 5.251 8.985 -5.512 42 HG23 VAL 7 2HG2 VAL 7 3.617 9.598 -5.261 43 H LEU 8 H LEU 8 1.725 9.104 -1.056 44 HA LEU 8 HA LEU 8 3.326 9.242 1.427 45 HB2 LEU 8 1HB LEU 8 0.806 10.139 0.974 46 HB3 LEU 8 2HB LEU 8 0.428 8.496 1.478 47 HG LEU 8 HG LEU 8 1.835 8.907 3.564 48 HD11 LEU 8 1HD1 LEU 8 2.211 11.374 4.127 49 HD12 LEU 8 2HD1 LEU 8 1.871 11.755 2.434 50 HD13 LEU 8 3HD1 LEU 8 3.273 10.757 2.874 51 HD21 LEU 8 3HD2 LEU 8 -0.470 10.853 3.111 52 HD22 LEU 8 1HD2 LEU 8 0.123 10.267 4.679 53 HD23 LEU 8 2HD2 LEU 8 -0.634 9.137 3.556 54 H CYS 9 H CYS 9 4.357 7.512 2.053 55 HA CYS 9 HA CYS 9 3.638 4.822 1.019 56 HB2 CYS 9 1HB CYS 9 6.040 5.644 1.046 57 HB3 CYS 9 2HB CYS 9 5.951 5.713 2.817 58 HG CYS 9 HG CYS 9 5.475 3.125 0.785 59 H LEU 10 H LEU 10 2.646 3.339 2.269 60 HA LEU 10 HA LEU 10 2.003 4.062 5.103 61 HB2 LEU 10 1HB LEU 10 0.269 2.618 3.076 62 HB3 LEU 10 2HB LEU 10 -0.164 3.108 4.716 63 HG LEU 10 HG LEU 10 0.431 4.992 2.391 64 HD11 LEU 10 1HD1 LEU 10 -1.978 5.450 2.514 65 HD12 LEU 10 2HD1 LEU 10 -2.166 4.181 3.760 66 HD13 LEU 10 3HD1 LEU 10 -1.623 3.747 2.134 67 HD21 LEU 10 3HD2 LEU 10 1.031 6.098 4.466 68 HD22 LEU 10 1HD2 LEU 10 -0.452 5.554 5.262 69 HD23 LEU 10 2HD2 LEU 10 -0.512 6.740 3.923 70 H MET 11 H MET 11 2.095 2.375 6.571 71 HA MET 11 HA MET 11 2.733 -0.377 5.586 72 HB2 MET 11 1HB MET 11 3.950 1.040 7.980 73 HB3 MET 11 2HB MET 11 4.201 -0.648 7.549 74 HG2 MET 11 1HG MET 11 5.758 -0.192 6.000 75 HG3 MET 11 2HG MET 11 4.858 1.134 5.301 76 HE1 MET 11 3HE MET 11 5.865 4.223 7.376 77 HE2 MET 11 1HE MET 11 5.116 3.639 5.875 78 HE3 MET 11 2HE MET 11 4.397 3.235 7.449 79 H ASN 12 H ASN 12 2.165 -2.032 7.171 80 HA ASN 12 HA ASN 12 0.703 -3.190 8.351 81 HB2 ASN 12 1HB ASN 12 0.135 -0.733 9.930 82 HB3 ASN 12 2HB ASN 12 -0.080 -2.394 10.459 83 HD21 ASN 12 1HD2 ASN 12 1.317 -0.177 11.672 84 HD22 ASN 12 2HD2 ASN 12 2.999 -0.602 11.855 85 H MET 13 H MET 13 -0.259 -1.856 5.965 86 HA MET 13 HA MET 13 -3.173 -1.560 6.462 87 HB2 MET 13 1HB MET 13 -1.363 -0.843 4.293 88 HB3 MET 13 2HB MET 13 -2.554 -1.981 3.673 89 HG2 MET 13 1HG MET 13 -3.818 -0.210 3.348 90 HG3 MET 13 2HG MET 13 -4.148 -0.325 5.059 91 HE1 MET 13 3HE MET 13 -0.809 0.759 5.876 92 HE2 MET 13 1HE MET 13 -1.491 2.280 6.467 93 HE3 MET 13 2HE MET 13 -2.346 0.753 6.780 94 H VAL 14 H VAL 14 -1.332 -3.544 4.176 95 HA VAL 14 HA VAL 14 -3.142 -5.758 4.699 96 HB VAL 14 HB VAL 14 -2.298 -6.439 2.393 97 HG11 VAL 14 1HG1 VAL 14 -4.397 -5.234 2.649 98 HG12 VAL 14 2HG1 VAL 14 -3.573 -3.676 2.696 99 HG13 VAL 14 3HG1 VAL 14 -3.565 -4.636 1.221 100 HG21 VAL 14 3HG2 VAL 14 -0.890 -3.720 2.440 101 HG22 VAL 14 1HG2 VAL 14 -0.110 -5.318 2.380 102 HG23 VAL 14 2HG2 VAL 14 -1.118 -4.755 1.041 103 H LEU 15 H LEU 15 -2.180 -8.047 4.309 104 HA LEU 15 HA LEU 15 0.434 -8.285 5.732 105 HB2 LEU 15 1HB LEU 15 -1.989 -10.108 5.557 106 HB3 LEU 15 2HB LEU 15 -0.499 -10.566 6.321 107 HG LEU 15 HG LEU 15 -2.051 -10.054 7.963 108 HD11 LEU 15 1HD1 LEU 15 -0.076 -7.723 7.871 109 HD12 LEU 15 2HD1 LEU 15 0.283 -9.376 8.432 110 HD13 LEU 15 3HD1 LEU 15 -0.880 -8.375 9.308 111 HD21 LEU 15 3HD2 LEU 15 -2.438 -7.198 7.079 112 HD22 LEU 15 1HD2 LEU 15 -3.280 -8.098 8.345 113 HD23 LEU 15 2HD2 LEU 15 -3.528 -8.530 6.648 114 HA PRO 16 HA PRO 16 1.968 -10.352 2.165 115 HB2 PRO 16 1HB PRO 16 3.728 -12.256 3.177 116 HB3 PRO 16 2HB PRO 16 4.034 -10.494 3.278 117 HG2 PRO 16 1HG PRO 16 2.754 -12.268 5.388 118 HG3 PRO 16 2HG PRO 16 4.148 -11.151 5.595 119 HD2 PRO 16 1HD PRO 16 1.656 -10.364 6.241 120 HD3 PRO 16 2HD PRO 16 2.741 -9.242 5.378 121 H GLU 17 H GLU 17 -0.344 -11.830 4.017 122 HA GLU 17 HA GLU 17 -0.430 -14.307 2.393 123 HB2 GLU 17 1HB GLU 17 -1.296 -15.389 4.408 124 HB3 GLU 17 2HB GLU 17 0.351 -14.771 4.559 125 HG2 GLU 17 1HG GLU 17 -0.537 -12.794 5.830 126 HG3 GLU 17 2HG GLU 17 -2.167 -13.466 5.701 127 H GLU 18 H GLU 18 -1.865 -11.493 2.281 128 HA GLU 18 HA GLU 18 -4.658 -12.557 2.178 129 HB2 GLU 18 1HB GLU 18 -3.731 -9.897 3.223 130 HB3 GLU 18 2HB GLU 18 -5.408 -10.424 3.174 131 HG2 GLU 18 1HG GLU 18 -3.281 -11.751 4.904 132 HG3 GLU 18 2HG GLU 18 -4.245 -10.390 5.422 133 H LEU 19 H LEU 19 -2.164 -11.232 0.394 134 HA LEU 19 HA LEU 19 -3.910 -9.517 -1.362 135 HB2 LEU 19 1HB LEU 19 -0.886 -9.803 -1.376 136 HB3 LEU 19 2HB LEU 19 -1.830 -8.779 -2.412 137 HG LEU 19 HG LEU 19 -1.670 -8.446 0.602 138 HD11 LEU 19 1HD1 LEU 19 -0.284 -6.949 -1.661 139 HD12 LEU 19 2HD1 LEU 19 0.491 -8.075 -0.515 140 HD13 LEU 19 3HD1 LEU 19 -0.185 -6.559 0.066 141 HD21 LEU 19 3HD2 LEU 19 -2.911 -6.824 -1.737 142 HD22 LEU 19 1HD2 LEU 19 -2.723 -6.177 -0.100 143 HD23 LEU 19 2HD2 LEU 19 -3.807 -7.549 -0.409 144 H LEU 20 H LEU 20 -4.675 -12.009 -1.602 145 HA LEU 20 HA LEU 20 -3.286 -13.087 -4.041 146 HB2 LEU 20 1HB LEU 20 -4.823 -14.717 -1.983 147 HB3 LEU 20 2HB LEU 20 -4.059 -15.265 -3.452 148 HG LEU 20 HG LEU 20 -2.646 -16.000 -1.830 149 HD11 LEU 20 1HD1 LEU 20 -1.296 -13.398 -2.571 150 HD12 LEU 20 2HD1 LEU 20 -1.415 -14.828 -3.626 151 HD13 LEU 20 3HD1 LEU 20 -0.534 -14.921 -2.086 152 HD21 LEU 20 3HD2 LEU 20 -3.558 -14.729 0.090 153 HD22 LEU 20 1HD2 LEU 20 -2.555 -13.344 -0.390 154 HD23 LEU 20 2HD2 LEU 20 -1.795 -14.872 0.093 155 H ASP 21 H ASP 21 -6.387 -13.061 -2.284 156 HA ASP 21 HA ASP 21 -8.097 -13.682 -4.380 157 HB2 ASP 21 1HB ASP 21 -8.475 -12.171 -1.757 158 HB3 ASP 21 2HB ASP 21 -9.820 -12.480 -2.886 159 H ASP 22 H ASP 22 -7.955 -12.649 -6.279 160 HA ASP 22 HA ASP 22 -7.215 -9.886 -6.368 161 HB2 ASP 22 1HB ASP 22 -6.488 -11.972 -7.827 162 HB3 ASP 22 2HB ASP 22 -7.887 -11.538 -8.811 163 H GLU 23 H GLU 23 -10.153 -11.336 -6.207 164 HA GLU 23 HA GLU 23 -11.800 -9.335 -7.606 165 HB2 GLU 23 1HB GLU 23 -12.360 -11.626 -5.689 166 HB3 GLU 23 2HB GLU 23 -13.625 -10.590 -6.355 167 HG2 GLU 23 1HG GLU 23 -13.006 -11.271 -8.635 168 HG3 GLU 23 2HG GLU 23 -11.653 -12.189 -8.062 169 H GLU 24 H GLU 24 -11.240 -10.336 -4.176 170 HA GLU 24 HA GLU 24 -12.474 -8.095 -3.080 171 HB2 GLU 24 1HB GLU 24 -11.748 -10.452 -2.139 172 HB3 GLU 24 2HB GLU 24 -10.270 -9.604 -1.649 173 HG2 GLU 24 1HG GLU 24 -11.605 -8.051 -0.282 174 HG3 GLU 24 2HG GLU 24 -13.101 -8.711 -0.963 175 H TYR 25 H TYR 25 -8.970 -8.544 -3.905 176 HA TYR 25 HA TYR 25 -7.780 -6.286 -2.978 177 HB2 TYR 25 1HB TYR 25 -6.735 -8.016 -4.350 178 HB3 TYR 25 2HB TYR 25 -7.692 -7.552 -5.746 179 HD1 TYR 25 1HD TYR 25 -7.273 -5.374 -6.908 180 HD2 TYR 25 2HD TYR 25 -4.655 -6.911 -3.840 181 HE1 TYR 25 1HE TYR 25 -5.550 -3.753 -7.600 182 HE2 TYR 25 2HE TYR 25 -2.893 -5.317 -4.566 183 HH TYR 25 HH TYR 25 -3.576 -2.677 -6.844 184 H GLU 26 H GLU 26 -10.196 -6.422 -5.759 185 HA GLU 26 HA GLU 26 -9.434 -3.729 -6.576 186 HB2 GLU 26 1HB GLU 26 -10.476 -6.054 -7.839 187 HB3 GLU 26 2HB GLU 26 -11.868 -4.954 -7.777 188 HG2 GLU 26 1HG GLU 26 -10.391 -3.154 -8.755 189 HG3 GLU 26 2HG GLU 26 -9.071 -4.323 -8.720 190 H GLU 27 H GLU 27 -11.810 -5.205 -4.623 191 HA GLU 27 HA GLU 27 -13.597 -2.895 -4.461 192 HB2 GLU 27 1HB GLU 27 -13.195 -5.099 -2.400 193 HB3 GLU 27 2HB GLU 27 -14.559 -3.981 -2.546 194 HG2 GLU 27 1HG GLU 27 -15.065 -5.057 -4.794 195 HG3 GLU 27 2HG GLU 27 -13.807 -6.267 -4.404 196 H ILE 28 H ILE 28 -10.942 -4.226 -2.459 197 HA ILE 28 HA ILE 28 -11.075 -2.298 -0.414 198 HB ILE 28 HB ILE 28 -8.847 -4.125 -1.376 199 HG12 ILE 28 1HG1 ILE 28 -10.529 -4.196 1.175 200 HG13 ILE 28 2HG1 ILE 28 -11.057 -4.980 -0.309 201 HG21 ILE 28 1HG2 ILE 28 -8.868 -2.372 1.130 202 HG22 ILE 28 2HG2 ILE 28 -7.704 -3.677 0.815 203 HG23 ILE 28 3HG2 ILE 28 -7.721 -2.264 -0.236 204 HD11 ILE 28 3HD1 ILE 28 -8.570 -5.673 1.297 205 HD12 ILE 28 1HD1 ILE 28 -10.040 -6.629 1.077 206 HD13 ILE 28 2HD1 ILE 28 -8.965 -6.344 -0.310 207 H VAL 29 H VAL 29 -9.186 -2.184 -3.458 208 HA VAL 29 HA VAL 29 -7.703 0.165 -2.780 209 HB VAL 29 HB VAL 29 -8.689 -0.874 -5.460 210 HG11 VAL 29 1HG1 VAL 29 -6.779 0.536 -6.413 211 HG12 VAL 29 2HG1 VAL 29 -8.171 1.464 -5.830 212 HG13 VAL 29 3HG1 VAL 29 -6.702 1.352 -4.843 213 HG21 VAL 29 3HG2 VAL 29 -7.031 -2.319 -4.173 214 HG22 VAL 29 1HG2 VAL 29 -6.436 -1.741 -5.730 215 HG23 VAL 29 2HG2 VAL 29 -5.897 -0.966 -4.219 216 H GLU 30 H GLU 30 -11.032 -0.225 -4.065 217 HA GLU 30 HA GLU 30 -11.319 2.638 -4.466 218 HB2 GLU 30 1HB GLU 30 -13.342 0.371 -4.534 219 HB3 GLU 30 2HB GLU 30 -13.684 2.035 -5.005 220 HG2 GLU 30 1HG GLU 30 -11.281 1.018 -6.378 221 HG3 GLU 30 2HG GLU 30 -12.648 -0.020 -6.622 222 H ASP 31 H ASP 31 -12.358 0.271 -2.028 223 HA ASP 31 HA ASP 31 -14.021 2.136 -0.579 224 HB2 ASP 31 1HB ASP 31 -13.770 -0.551 -0.431 225 HB3 ASP 31 2HB ASP 31 -12.722 -0.132 0.919 226 H VAL 32 H VAL 32 -10.590 1.420 -0.491 227 HA VAL 32 HA VAL 32 -10.129 3.059 1.930 228 HB VAL 32 HB VAL 32 -8.264 1.716 -0.086 229 HG11 VAL 32 1HG1 VAL 32 -7.031 3.625 0.719 230 HG12 VAL 32 2HG1 VAL 32 -7.574 3.331 2.386 231 HG13 VAL 32 3HG1 VAL 32 -6.470 2.192 1.604 232 HG21 VAL 32 3HG2 VAL 32 -9.544 0.239 1.511 233 HG22 VAL 32 1HG2 VAL 32 -7.796 0.192 1.783 234 HG23 VAL 32 2HG2 VAL 32 -8.835 1.145 2.857 235 H ARG 33 H ARG 33 -10.038 3.495 -1.605 236 HA ARG 33 HA ARG 33 -8.641 6.055 -1.534 237 HB2 ARG 33 1HB ARG 33 -8.778 4.902 -3.648 238 HB3 ARG 33 2HB ARG 33 -10.533 4.745 -3.548 239 HG2 ARG 33 1HG ARG 33 -10.931 6.916 -4.258 240 HG3 ARG 33 2HG ARG 33 -9.425 7.525 -3.598 241 HD2 ARG 33 1HD ARG 33 -9.377 7.584 -6.044 242 HD3 ARG 33 2HD ARG 33 -8.138 6.510 -5.390 243 HE ARG 33 HE ARG 33 -10.715 5.332 -6.278 244 HH11 ARG 33 1HH1 ARG 33 -7.277 5.890 -7.165 245 HH12 ARG 33 2HH1 ARG 33 -7.221 4.353 -8.023 246 HH21 ARG 33 1HH2 ARG 33 -10.524 3.486 -7.688 247 HH22 ARG 33 2HH2 ARG 33 -8.970 3.109 -8.365 248 H ASP 34 H ASP 34 -12.166 5.226 -1.101 249 HA ASP 34 HA ASP 34 -12.959 8.003 -0.941 250 HB2 ASP 34 1HB ASP 34 -14.652 6.307 -1.052 251 HB3 ASP 34 2HB ASP 34 -14.032 5.499 0.375 252 H GLU 35 H GLU 35 -11.343 5.867 1.461 253 HA GLU 35 HA GLU 35 -11.931 7.649 3.644 254 HB2 GLU 35 1HB GLU 35 -11.043 6.216 5.027 255 HB3 GLU 35 2HB GLU 35 -11.357 5.104 3.736 256 HG2 GLU 35 1HG GLU 35 -8.992 4.882 3.281 257 HG3 GLU 35 2HG GLU 35 -8.596 6.342 4.164 258 H CYS 36 H CYS 36 -9.061 7.175 1.543 259 HA CYS 36 HA CYS 36 -7.683 9.344 2.872 260 HB2 CYS 36 1HB CYS 36 -6.119 8.854 0.819 261 HB3 CYS 36 2HB CYS 36 -6.015 7.980 2.341 262 HG CYS 36 HG CYS 36 -5.514 6.525 0.253 263 H SER 37 H SER 37 -9.706 9.150 -0.026 264 HA SER 37 HA SER 37 -8.841 11.747 -0.946 265 HB2 SER 37 1HB SER 37 -10.120 9.759 -2.190 266 HB3 SER 37 2HB SER 37 -11.541 10.722 -1.732 267 HG SER 37 HG SER 37 -10.305 12.515 -2.712 268 H LYS 38 H LYS 38 -10.672 10.958 1.837 269 HA LYS 38 HA LYS 38 -12.412 13.182 2.008 270 HB2 LYS 38 1HB LYS 38 -10.793 11.612 4.046 271 HB3 LYS 38 2HB LYS 38 -11.803 12.973 4.553 272 HG2 LYS 38 1HG LYS 38 -13.768 11.994 3.671 273 HG3 LYS 38 2HG LYS 38 -12.881 10.714 2.854 274 HD2 LYS 38 1HD LYS 38 -12.181 9.776 5.054 275 HD3 LYS 38 2HD LYS 38 -13.100 11.045 5.868 276 HE2 LYS 38 1HE LYS 38 -14.466 9.031 5.823 277 HE3 LYS 38 2HE LYS 38 -15.184 10.257 4.779 278 HZ1 LYS 38 3HZ LYS 38 -15.263 8.261 3.577 279 HZ2 LYS 38 1HZ LYS 38 -13.833 7.774 4.014 280 HZ3 LYS 38 2HZ LYS 38 -13.945 8.992 2.904 281 H TYR 39 H TYR 39 -8.993 13.223 1.877 282 HA TYR 39 HA TYR 39 -8.855 15.982 2.994 283 HB2 TYR 39 1HB TYR 39 -6.682 13.885 2.876 284 HB3 TYR 39 2HB TYR 39 -6.607 15.427 3.716 285 HD1 TYR 39 2HD TYR 39 -8.002 11.985 3.766 286 HD2 TYR 39 1HD TYR 39 -7.738 15.729 5.909 287 HE1 TYR 39 2HE TYR 39 -9.078 10.941 5.713 288 HE2 TYR 39 1HE TYR 39 -8.757 14.657 7.893 289 HH TYR 39 HH TYR 39 -10.053 12.810 8.581 290 H GLY 40 H GLY 40 -8.910 14.631 -0.034 291 HA2 GLY 40 1HA GLY 40 -8.059 16.715 -1.529 292 HA3 GLY 40 2HA GLY 40 -6.558 15.817 -1.256 293 H LEU 41 H LEU 41 -6.387 15.032 -3.452 294 HA LEU 41 HA LEU 41 -8.439 12.985 -4.094 295 HB2 LEU 41 1HB LEU 41 -8.355 15.023 -5.553 296 HB3 LEU 41 2HB LEU 41 -6.798 14.510 -6.074 297 HG LEU 41 HG LEU 41 -8.799 13.982 -7.559 298 HD11 LEU 41 1HD1 LEU 41 -7.838 11.315 -7.522 299 HD12 LEU 41 2HD1 LEU 41 -6.483 12.316 -7.052 300 HD13 LEU 41 3HD1 LEU 41 -7.328 12.665 -8.563 301 HD21 LEU 41 3HD2 LEU 41 -10.154 12.069 -7.113 302 HD22 LEU 41 1HD2 LEU 41 -10.267 13.146 -5.717 303 HD23 LEU 41 2HD2 LEU 41 -9.261 11.671 -5.641 304 H VAL 42 H VAL 42 -7.776 11.109 -3.775 305 HA VAL 42 HA VAL 42 -4.991 10.208 -3.775 306 HB VAL 42 HB VAL 42 -7.664 8.812 -3.694 307 HG11 VAL 42 1HG1 VAL 42 -6.150 7.181 -4.624 308 HG12 VAL 42 2HG1 VAL 42 -4.841 7.694 -3.562 309 HG13 VAL 42 3HG1 VAL 42 -6.240 6.813 -2.894 310 HG21 VAL 42 3HG2 VAL 42 -7.356 8.457 -1.394 311 HG22 VAL 42 1HG2 VAL 42 -5.670 9.044 -1.439 312 HG23 VAL 42 2HG2 VAL 42 -7.026 10.168 -1.655 313 H LYS 43 H LYS 43 -3.969 10.145 -5.653 314 HA LYS 43 HA LYS 43 -5.301 10.161 -8.237 315 HB2 LYS 43 1HB LYS 43 -3.148 11.308 -7.665 316 HB3 LYS 43 2HB LYS 43 -2.375 9.757 -7.456 317 HG2 LYS 43 1HG LYS 43 -2.638 9.198 -9.782 318 HG3 LYS 43 2HG LYS 43 -3.681 10.626 -10.059 319 HD2 LYS 43 1HD LYS 43 -1.886 12.150 -9.719 320 HD3 LYS 43 2HD LYS 43 -0.894 10.923 -8.932 321 HE2 LYS 43 1HE LYS 43 -0.796 9.658 -11.107 322 HE3 LYS 43 2HE LYS 43 -1.587 11.046 -11.889 323 HZ1 LYS 43 3HZ LYS 43 0.893 11.289 -10.299 324 HZ2 LYS 43 1HZ LYS 43 0.277 12.389 -11.343 325 HZ3 LYS 43 2HZ LYS 43 0.933 10.969 -11.897 326 H SER 44 H SER 44 -3.223 7.790 -6.493 327 HA SER 44 HA SER 44 -4.713 5.502 -7.482 328 HB2 SER 44 1HB SER 44 -2.093 6.343 -8.770 329 HB3 SER 44 2HB SER 44 -2.440 4.622 -8.565 330 HG SER 44 HG SER 44 -4.278 6.455 -9.727 331 H ILE 45 H ILE 45 -3.711 3.429 -6.693 332 HA ILE 45 HA ILE 45 -2.122 3.858 -4.238 333 HB ILE 45 HB ILE 45 -4.649 2.196 -4.322 334 HG12 ILE 45 1HG1 ILE 45 -4.216 4.721 -2.696 335 HG13 ILE 45 2HG1 ILE 45 -4.899 4.749 -4.280 336 HG21 ILE 45 1HG2 ILE 45 -4.077 2.038 -1.827 337 HG22 ILE 45 2HG2 ILE 45 -2.850 1.314 -2.874 338 HG23 ILE 45 3HG2 ILE 45 -2.576 2.923 -2.172 339 HD11 ILE 45 3HD1 ILE 45 -6.050 3.109 -1.973 340 HD12 ILE 45 1HD1 ILE 45 -6.645 4.687 -2.464 341 HD13 ILE 45 2HD1 ILE 45 -6.764 3.325 -3.580 342 H GLU 46 H GLU 46 -0.538 2.793 -4.692 343 HA GLU 46 HA GLU 46 -0.447 0.423 -6.502 344 HB2 GLU 46 1HB GLU 46 1.216 2.644 -6.191 345 HB3 GLU 46 2HB GLU 46 2.150 1.363 -5.437 346 HG2 GLU 46 1HG GLU 46 2.678 1.626 -7.829 347 HG3 GLU 46 2HG GLU 46 2.018 0.030 -7.477 348 H ILE 47 H ILE 47 -0.526 -1.584 -5.693 349 HA ILE 47 HA ILE 47 0.399 -2.175 -2.946 350 HB ILE 47 HB ILE 47 -2.193 -3.184 -4.124 351 HG12 ILE 47 1HG1 ILE 47 -1.755 -0.945 -2.140 352 HG13 ILE 47 2HG1 ILE 47 -2.462 -0.824 -3.747 353 HG21 ILE 47 1HG2 ILE 47 -1.039 -4.695 -2.493 354 HG22 ILE 47 2HG2 ILE 47 -1.062 -3.398 -1.294 355 HG23 ILE 47 3HG2 ILE 47 -2.571 -4.107 -1.889 356 HD11 ILE 47 3HD1 ILE 47 -3.699 -2.215 -1.364 357 HD12 ILE 47 1HD1 ILE 47 -4.240 -0.737 -2.171 358 HD13 ILE 47 2HD1 ILE 47 -4.336 -2.297 -3.018 359 HA PRO 48 HA PRO 48 2.212 -5.164 -5.996 360 HB2 PRO 48 1HB PRO 48 4.501 -5.663 -4.557 361 HB3 PRO 48 2HB PRO 48 4.348 -4.315 -5.717 362 HG2 PRO 48 1HG PRO 48 4.038 -4.277 -2.709 363 HG3 PRO 48 2HG PRO 48 4.891 -3.085 -3.744 364 HD2 PRO 48 1HD PRO 48 2.402 -2.671 -2.764 365 HD3 PRO 48 2HD PRO 48 2.880 -2.060 -4.376 366 H ARG 49 H ARG 49 1.795 -7.331 -5.831 367 HA ARG 49 HA ARG 49 0.896 -8.433 -3.208 368 HB2 ARG 49 1HB ARG 49 0.537 -9.333 -6.102 369 HB3 ARG 49 2HB ARG 49 -0.097 -10.208 -4.742 370 HG2 ARG 49 1HG ARG 49 -1.932 -8.917 -4.640 371 HG3 ARG 49 2HG ARG 49 -0.963 -7.457 -4.469 372 HD2 ARG 49 1HD ARG 49 -2.316 -7.119 -6.365 373 HD3 ARG 49 2HD ARG 49 -0.706 -7.460 -6.997 374 HE ARG 49 HE ARG 49 -2.652 -9.681 -6.714 375 HH11 ARG 49 1HH1 ARG 49 -1.496 -7.183 -8.906 376 HH12 ARG 49 2HH1 ARG 49 -2.167 -7.911 -10.323 377 HH21 ARG 49 1HH2 ARG 49 -3.403 -10.712 -8.486 378 HH22 ARG 49 2HH2 ARG 49 -3.461 -9.931 -10.039 379 HA PRO 50 HA PRO 50 4.438 -11.343 -3.228 380 HB2 PRO 50 1HB PRO 50 3.371 -13.717 -2.427 381 HB3 PRO 50 2HB PRO 50 3.597 -12.339 -1.320 382 HG2 PRO 50 1HG PRO 50 1.085 -13.129 -2.797 383 HG3 PRO 50 2HG PRO 50 1.261 -12.754 -1.052 384 HD2 PRO 50 1HD PRO 50 0.385 -10.920 -2.847 385 HD3 PRO 50 2HD PRO 50 1.441 -10.419 -1.509 386 H VAL 51 H VAL 51 5.097 -13.424 -4.354 387 HA VAL 51 HA VAL 51 3.382 -13.927 -6.759 388 HB VAL 51 HB VAL 51 6.391 -14.238 -6.825 389 HG11 VAL 51 1HG1 VAL 51 5.103 -15.540 -8.478 390 HG12 VAL 51 2HG1 VAL 51 4.147 -14.106 -8.919 391 HG13 VAL 51 3HG1 VAL 51 5.871 -14.181 -9.307 392 HG21 VAL 51 3HG2 VAL 51 5.979 -11.854 -6.468 393 HG22 VAL 51 1HG2 VAL 51 6.413 -12.131 -8.156 394 HG23 VAL 51 2HG2 VAL 51 4.712 -11.853 -7.708 395 H ASP 52 H ASP 52 2.249 -15.654 -6.238 396 HA ASP 52 HA ASP 52 1.719 -17.739 -5.706 397 HB2 ASP 52 1HB ASP 52 3.243 -17.652 -7.831 398 HB3 ASP 52 2HB ASP 52 4.414 -18.501 -6.836 399 H GLY 53 H GLY 53 2.936 -16.434 -3.560 400 HA2 GLY 53 1HA GLY 53 2.952 -17.286 -1.306 401 HA3 GLY 53 2HA GLY 53 3.826 -18.703 -1.865 402 H VAL 54 H VAL 54 5.447 -16.509 -3.573 403 HA VAL 54 HA VAL 54 7.641 -16.592 -1.687 404 HB VAL 54 HB VAL 54 7.458 -15.668 -4.578 405 HG11 VAL 54 1HG1 VAL 54 9.404 -14.713 -3.684 406 HG12 VAL 54 2HG1 VAL 54 9.844 -16.203 -2.824 407 HG13 VAL 54 3HG1 VAL 54 9.898 -16.108 -4.605 408 HG21 VAL 54 3HG2 VAL 54 6.863 -18.064 -4.315 409 HG22 VAL 54 1HG2 VAL 54 8.433 -17.894 -5.107 410 HG23 VAL 54 2HG2 VAL 54 8.354 -18.345 -3.383 411 H GLU 55 H GLU 55 8.817 -14.862 -0.913 412 HA GLU 55 HA GLU 55 7.434 -12.322 -0.598 413 HB2 GLU 55 1HB GLU 55 9.046 -11.781 1.000 414 HB3 GLU 55 2HB GLU 55 8.740 -13.505 1.230 415 HG2 GLU 55 1HG GLU 55 10.774 -13.846 -0.311 416 HG3 GLU 55 2HG GLU 55 11.142 -12.150 -0.028 417 H VAL 56 H VAL 56 7.945 -10.444 -1.599 418 HA VAL 56 HA VAL 56 10.171 -10.430 -3.553 419 HB VAL 56 HB VAL 56 8.202 -8.894 -4.713 420 HG11 VAL 56 1HG1 VAL 56 7.980 -10.722 -6.309 421 HG12 VAL 56 2HG1 VAL 56 9.652 -10.643 -5.764 422 HG13 VAL 56 3HG1 VAL 56 8.587 -11.896 -5.111 423 HG21 VAL 56 3HG2 VAL 56 6.127 -10.100 -4.834 424 HG22 VAL 56 1HG2 VAL 56 6.686 -11.309 -3.671 425 HG23 VAL 56 2HG2 VAL 56 6.408 -9.628 -3.162 426 HA PRO 57 HA PRO 57 11.255 -6.440 -2.009 427 HB2 PRO 57 1HB PRO 57 12.291 -5.176 -4.199 428 HB3 PRO 57 2HB PRO 57 13.110 -6.553 -3.397 429 HG2 PRO 57 1HG PRO 57 11.336 -6.573 -5.855 430 HG3 PRO 57 2HG PRO 57 12.936 -7.369 -5.632 431 HD2 PRO 57 1HD PRO 57 10.618 -8.743 -5.312 432 HD3 PRO 57 2HD PRO 57 12.041 -9.076 -4.281 433 H GLY 58 H GLY 58 9.747 -5.024 -1.431 434 HA2 GLY 58 1HA GLY 58 8.470 -3.049 -1.957 435 HA3 GLY 58 2HA GLY 58 7.816 -3.866 -3.384 436 H CYS 59 H CYS 59 7.756 -6.393 -1.345 437 HA CYS 59 HA CYS 59 4.929 -5.965 -1.158 438 HB2 CYS 59 1HB CYS 59 6.371 -8.145 -1.685 439 HB3 CYS 59 2HB CYS 59 6.360 -8.311 0.086 440 HG CYS 59 HG CYS 59 4.487 -9.809 -0.416 441 H GLY 60 H GLY 60 3.604 -6.003 0.561 442 HA2 GLY 60 1HA GLY 60 2.944 -5.817 2.790 443 HA3 GLY 60 2HA GLY 60 4.627 -5.580 3.282 444 H LYS 61 H LYS 61 4.632 -3.552 0.735 445 HA LYS 61 HA LYS 61 3.944 -1.220 2.476 446 HB2 LYS 61 1HB LYS 61 5.495 -1.367 -0.156 447 HB3 LYS 61 2HB LYS 61 5.124 0.091 0.753 448 HG2 LYS 61 1HG LYS 61 7.299 -0.307 1.353 449 HG3 LYS 61 2HG LYS 61 6.414 -1.000 2.714 450 HD2 LYS 61 1HD LYS 61 6.705 -3.270 1.713 451 HD3 LYS 61 2HD LYS 61 7.541 -2.549 0.332 452 HE2 LYS 61 1HE LYS 61 9.348 -1.796 1.689 453 HE3 LYS 61 2HE LYS 61 8.483 -2.198 3.191 454 HZ1 LYS 61 3HZ LYS 61 9.512 -4.105 1.170 455 HZ2 LYS 61 1HZ LYS 61 8.622 -4.547 2.490 456 HZ3 LYS 61 2HZ LYS 61 10.125 -3.831 2.643 457 H ILE 62 H ILE 62 2.695 0.536 1.524 458 HA ILE 62 HA ILE 62 1.347 -0.012 -1.027 459 HB ILE 62 HB ILE 62 -0.055 0.883 1.533 460 HG12 ILE 62 1HG1 ILE 62 -0.319 -1.486 -0.364 461 HG13 ILE 62 2HG1 ILE 62 0.063 -1.511 1.355 462 HG21 ILE 62 1HG2 ILE 62 -2.037 1.260 0.021 463 HG22 ILE 62 2HG2 ILE 62 -0.746 2.391 -0.231 464 HG23 ILE 62 3HG2 ILE 62 -0.963 1.054 -1.375 465 HD11 ILE 62 3HD1 ILE 62 -2.251 -0.614 1.803 466 HD12 ILE 62 1HD1 ILE 62 -2.619 -0.877 0.100 467 HD13 ILE 62 2HD1 ILE 62 -2.190 -2.257 1.107 468 H PHE 63 H PHE 63 1.154 1.892 -2.191 469 HA PHE 63 HA PHE 63 2.359 4.380 -1.058 470 HB2 PHE 63 1HB PHE 63 2.663 3.404 -3.922 471 HB3 PHE 63 2HB PHE 63 3.480 4.758 -3.133 472 HD1 PHE 63 2HD PHE 63 3.204 1.055 -3.351 473 HD2 PHE 63 1HD PHE 63 5.473 4.367 -1.763 474 HE1 PHE 63 2HE PHE 63 4.925 -0.524 -2.539 475 HE2 PHE 63 1HE PHE 63 7.230 2.776 -0.999 476 HZ PHE 63 HZ PHE 63 6.934 0.342 -1.352 477 H VAL 64 H VAL 64 0.731 5.878 -0.987 478 HA VAL 64 HA VAL 64 -1.496 5.695 -2.967 479 HB VAL 64 HB VAL 64 -1.247 6.960 -0.257 480 HG11 VAL 64 1HG1 VAL 64 -2.784 8.246 -1.843 481 HG12 VAL 64 2HG1 VAL 64 -3.786 6.780 -1.893 482 HG13 VAL 64 3HG1 VAL 64 -3.556 7.645 -0.359 483 HG21 VAL 64 3HG2 VAL 64 -2.962 5.454 0.544 484 HG22 VAL 64 1HG2 VAL 64 -2.976 4.630 -0.993 485 HG23 VAL 64 2HG2 VAL 64 -1.515 4.589 -0.002 486 H GLU 65 H GLU 65 -1.083 6.972 -4.624 487 HA GLU 65 HA GLU 65 0.821 9.237 -4.598 488 HB2 GLU 65 1HB GLU 65 0.398 7.302 -6.340 489 HB3 GLU 65 2HB GLU 65 -0.996 8.175 -6.797 490 HG2 GLU 65 1HG GLU 65 1.742 8.370 -7.661 491 HG3 GLU 65 2HG GLU 65 0.252 8.927 -8.409 492 H PHE 66 H PHE 66 -0.012 11.350 -5.084 493 HA PHE 66 HA PHE 66 -2.953 11.782 -4.772 494 HB2 PHE 66 1HB PHE 66 -0.762 13.052 -3.113 495 HB3 PHE 66 2HB PHE 66 -2.317 13.813 -3.330 496 HD1 PHE 66 2HD PHE 66 -4.419 12.873 -2.425 497 HD2 PHE 66 1HD PHE 66 -0.603 10.992 -1.738 498 HE1 PHE 66 2HE PHE 66 -5.368 11.711 -0.470 499 HE2 PHE 66 1HE PHE 66 -1.570 9.780 0.216 500 HZ PHE 66 HZ PHE 66 -3.976 10.147 0.834 501 H THR 67 H THR 67 -3.388 14.275 -5.181 502 HA THR 67 HA THR 67 -2.314 14.791 -7.829 503 HB THR 67 HB THR 67 -4.124 16.639 -7.625 504 HG1 THR 67 1HG THR 67 -4.281 16.532 -5.278 505 HG21 THR 67 3HG2 THR 67 -4.800 13.667 -7.360 506 HG22 THR 67 1HG2 THR 67 -4.447 14.527 -8.870 507 HG23 THR 67 2HG2 THR 67 -5.922 14.895 -7.951 508 H SER 68 H SER 68 -1.386 15.912 -4.661 509 HA SER 68 HA SER 68 0.432 17.788 -5.838 510 HB2 SER 68 1HB SER 68 -1.868 18.973 -5.603 511 HB3 SER 68 2HB SER 68 -1.530 18.966 -3.865 512 HG SER 68 HG SER 68 -0.804 20.689 -5.601 513 H VAL 69 H VAL 69 1.954 18.478 -4.302 514 HA VAL 69 HA VAL 69 2.469 16.794 -2.036 515 HB VAL 69 HB VAL 69 3.628 19.538 -2.654 516 HG11 VAL 69 1HG1 VAL 69 5.645 18.628 -1.399 517 HG12 VAL 69 2HG1 VAL 69 4.225 18.898 -0.402 518 HG13 VAL 69 3HG1 VAL 69 4.634 17.236 -0.920 519 HG21 VAL 69 3HG2 VAL 69 5.568 18.366 -3.643 520 HG22 VAL 69 1HG2 VAL 69 4.766 16.815 -3.426 521 HG23 VAL 69 2HG2 VAL 69 4.103 18.033 -4.546 522 H PHE 70 H PHE 70 0.470 19.660 -2.441 523 HA PHE 70 HA PHE 70 0.409 20.183 0.449 524 HB2 PHE 70 1HB PHE 70 -0.642 21.530 -1.979 525 HB3 PHE 70 2HB PHE 70 -1.506 21.775 -0.472 526 HD1 PHE 70 2HD PHE 70 2.006 21.921 -1.880 527 HD2 PHE 70 1HD PHE 70 -0.721 23.285 1.171 528 HE1 PHE 70 2HE PHE 70 3.704 23.547 -1.080 529 HE2 PHE 70 1HE PHE 70 0.979 24.899 1.975 530 HZ PHE 70 HZ PHE 70 3.176 25.055 0.827 531 H ASP 71 H ASP 71 -1.284 18.057 -1.692 532 HA ASP 71 HA ASP 71 -3.817 18.031 -0.150 533 HB2 ASP 71 1HB ASP 71 -2.686 16.186 -2.296 534 HB3 ASP 71 2HB ASP 71 -4.273 16.031 -1.555 535 H CYS 72 H CYS 72 -0.829 16.133 -0.562 536 HA CYS 72 HA CYS 72 -1.774 13.945 1.045 537 HB2 CYS 72 1HB CYS 72 0.543 13.107 0.772 538 HB3 CYS 72 2HB CYS 72 -0.146 13.631 -0.753 539 HG CYS 72 HG CYS 72 2.131 15.003 1.177 540 H GLN 73 H GLN 73 0.398 16.672 1.724 541 HA GLN 73 HA GLN 73 1.061 16.397 4.392 542 HB2 GLN 73 1HB GLN 73 0.427 18.672 2.535 543 HB3 GLN 73 2HB GLN 73 0.435 19.050 4.244 544 HG2 GLN 73 1HG GLN 73 2.661 19.378 2.932 545 HG3 GLN 73 2HG GLN 73 2.702 18.592 4.522 546 HE21 GLN 73 1HE2 GLN 73 3.439 18.234 1.142 547 HE22 GLN 73 2HE2 GLN 73 4.253 16.690 1.343 548 H LYS 74 H LYS 74 -2.231 17.149 3.161 549 HA LYS 74 HA LYS 74 -3.131 17.817 5.835 550 HB2 LYS 74 1HB LYS 74 -4.880 17.223 3.415 551 HB3 LYS 74 2HB LYS 74 -5.249 18.213 4.827 552 HG2 LYS 74 1HG LYS 74 -2.962 19.446 3.767 553 HG3 LYS 74 2HG LYS 74 -3.815 18.826 2.342 554 HD2 LYS 74 1HD LYS 74 -5.850 20.120 3.202 555 HD3 LYS 74 2HD LYS 74 -4.747 20.850 4.399 556 HE2 LYS 74 1HE LYS 74 -3.206 21.436 2.442 557 HE3 LYS 74 2HE LYS 74 -4.498 20.899 1.354 558 HZ1 LYS 74 3HZ LYS 74 -4.532 23.276 1.671 559 HZ2 LYS 74 1HZ LYS 74 -4.723 23.129 3.298 560 HZ3 LYS 74 2HZ LYS 74 -5.912 22.618 2.268 561 H ALA 75 H ALA 75 -3.559 15.155 3.519 562 HA ALA 75 HA ALA 75 -5.126 13.399 5.046 563 HB1 ALA 75 1HB ALA 75 -2.918 12.637 3.078 564 HB2 ALA 75 2HB ALA 75 -4.324 11.655 3.548 565 HB3 ALA 75 3HB ALA 75 -4.554 13.141 2.604 566 H MET 76 H MET 76 -1.527 13.606 4.920 567 HA MET 76 HA MET 76 -0.815 11.475 6.490 568 HB2 MET 76 1HB MET 76 0.838 12.731 5.342 569 HB3 MET 76 2HB MET 76 0.381 14.247 6.120 570 HG2 MET 76 1HG MET 76 1.302 13.590 8.213 571 HG3 MET 76 2HG MET 76 1.493 11.920 7.694 572 HE1 MET 76 3HE MET 76 4.824 11.659 6.208 573 HE2 MET 76 1HE MET 76 3.882 11.189 7.657 574 HE3 MET 76 2HE MET 76 3.136 11.109 6.053 575 H GLN 77 H GLN 77 -0.899 14.770 7.841 576 HA GLN 77 HA GLN 77 -0.879 13.873 10.516 577 HB2 GLN 77 1HB GLN 77 -1.869 16.557 9.466 578 HB3 GLN 77 2HB GLN 77 -1.470 16.167 11.148 579 HG2 GLN 77 1HG GLN 77 0.873 15.633 10.422 580 HG3 GLN 77 2HG GLN 77 0.457 16.163 8.789 581 HE21 GLN 77 1HE2 GLN 77 2.448 17.521 9.366 582 HE22 GLN 77 2HE2 GLN 77 2.156 19.103 10.063 583 H GLY 78 H GLY 78 -3.692 14.409 8.364 584 HA2 GLY 78 1HA GLY 78 -5.718 14.340 10.387 585 HA3 GLY 78 2HA GLY 78 -5.919 14.072 8.651 586 H LEU 79 H LEU 79 -3.783 11.770 9.013 587 HA LEU 79 HA LEU 79 -5.687 9.682 10.011 588 HB2 LEU 79 1HB LEU 79 -4.025 9.756 7.488 589 HB3 LEU 79 2HB LEU 79 -4.895 8.335 8.049 590 HG LEU 79 HG LEU 79 -6.214 10.983 7.282 591 HD11 LEU 79 1HD1 LEU 79 -6.071 8.323 5.809 592 HD12 LEU 79 2HD1 LEU 79 -5.276 9.840 5.322 593 HD13 LEU 79 3HD1 LEU 79 -7.042 9.712 5.313 594 HD21 LEU 79 3HD2 LEU 79 -7.551 9.735 8.955 595 HD22 LEU 79 1HD2 LEU 79 -7.381 8.258 7.977 596 HD23 LEU 79 2HD2 LEU 79 -8.289 9.654 7.370 597 H THR 80 H THR 80 -2.989 10.976 10.996 598 HA THR 80 HA THR 80 -1.092 8.796 11.096 599 HB THR 80 HB THR 80 -1.439 11.345 12.690 600 HG1 THR 80 1HG THR 80 -0.872 11.340 10.354 601 HG21 THR 80 3HG2 THR 80 -0.144 9.815 14.070 602 HG22 THR 80 1HG2 THR 80 0.990 10.945 13.299 603 HG23 THR 80 2HG2 THR 80 0.813 9.286 12.683 604 H GLY 81 H GLY 81 -1.906 6.942 11.830 605 HA2 GLY 81 1HA GLY 81 -1.948 5.503 13.750 606 HA3 GLY 81 2HA GLY 81 -2.740 6.766 14.683 607 H ARG 82 H ARG 82 -4.243 6.812 11.651 608 HA ARG 82 HA ARG 82 -6.590 5.500 12.602 609 HB2 ARG 82 1HB ARG 82 -6.067 7.264 10.563 610 HB3 ARG 82 2HB ARG 82 -6.213 5.768 9.635 611 HG2 ARG 82 1HG ARG 82 -8.340 5.811 11.555 612 HG3 ARG 82 2HG ARG 82 -8.240 7.444 10.910 613 HD2 ARG 82 1HD ARG 82 -8.595 6.642 8.649 614 HD3 ARG 82 2HD ARG 82 -8.383 4.968 9.149 615 HE ARG 82 HE ARG 82 -10.573 6.454 10.443 616 HH11 ARG 82 1HH1 ARG 82 -9.811 4.339 7.666 617 HH12 ARG 82 2HH1 ARG 82 -11.275 3.427 7.830 618 HH21 ARG 82 1HH2 ARG 82 -12.633 5.510 10.341 619 HH22 ARG 82 2HH2 ARG 82 -12.961 4.173 9.292 620 H LYS 83 H LYS 83 -7.604 3.706 10.809 621 HA LYS 83 HA LYS 83 -5.569 1.550 10.545 622 HB2 LYS 83 1HB LYS 83 -8.492 1.097 11.241 623 HB3 LYS 83 2HB LYS 83 -7.209 -0.094 11.089 624 HG2 LYS 83 1HG LYS 83 -7.280 0.039 13.350 625 HG3 LYS 83 2HG LYS 83 -6.087 1.313 13.080 626 HD2 LYS 83 1HD LYS 83 -7.987 2.990 13.224 627 HD3 LYS 83 2HD LYS 83 -9.089 1.644 13.472 628 HE2 LYS 83 1HE LYS 83 -6.993 1.296 15.370 629 HE3 LYS 83 2HE LYS 83 -7.359 3.029 15.374 630 HZ1 LYS 83 3HZ LYS 83 -9.226 0.799 15.852 631 HZ2 LYS 83 1HZ LYS 83 -9.760 2.300 15.566 632 HZ3 LYS 83 2HZ LYS 83 -8.840 2.043 16.900 633 H PHE 84 H PHE 84 -5.726 0.526 8.495 634 HA PHE 84 HA PHE 84 -7.907 1.503 6.678 635 HB2 PHE 84 1HB PHE 84 -4.920 1.181 6.332 636 HB3 PHE 84 2HB PHE 84 -5.981 0.909 4.954 637 HD1 PHE 84 1HD PHE 84 -6.375 3.706 7.463 638 HD2 PHE 84 2HD PHE 84 -5.185 2.494 3.519 639 HE1 PHE 84 1HE PHE 84 -6.328 6.071 6.759 640 HE2 PHE 84 2HE PHE 84 -5.201 4.866 2.778 641 HZ PHE 84 HZ PHE 84 -5.809 6.655 4.379 642 H ALA 85 H ALA 85 -7.325 -0.806 8.507 643 HA ALA 85 HA ALA 85 -8.750 -2.808 7.043 644 HB1 ALA 85 1HB ALA 85 -5.861 -3.505 7.806 645 HB2 ALA 85 2HB ALA 85 -7.124 -4.682 7.364 646 HB3 ALA 85 3HB ALA 85 -6.560 -3.496 6.186 647 H ASN 86 H ASN 86 -6.410 -2.892 9.690 648 HA ASN 86 HA ASN 86 -8.359 -2.604 11.803 649 HB2 ASN 86 1HB ASN 86 -7.746 -5.347 10.862 650 HB3 ASN 86 2HB ASN 86 -7.214 -5.115 12.517 651 HD21 ASN 86 1HD2 ASN 86 -9.722 -6.497 11.015 652 HD22 ASN 86 2HD2 ASN 86 -10.967 -6.058 12.172 653 H ARG 87 H ARG 87 -5.030 -3.242 10.735 654 HA ARG 87 HA ARG 87 -3.951 -2.845 13.466 655 HB2 ARG 87 1HB ARG 87 -2.613 -3.157 10.733 656 HB3 ARG 87 2HB ARG 87 -1.727 -2.908 12.248 657 HG2 ARG 87 1HG ARG 87 -2.795 -4.954 13.202 658 HG3 ARG 87 2HG ARG 87 -3.575 -5.244 11.637 659 HD2 ARG 87 1HD ARG 87 -1.361 -5.423 10.551 660 HD3 ARG 87 2HD ARG 87 -0.562 -5.127 12.101 661 HE ARG 87 HE ARG 87 -1.637 -7.605 11.112 662 HH11 ARG 87 1HH1 ARG 87 -0.982 -5.859 14.165 663 HH12 ARG 87 2HH1 ARG 87 -0.638 -7.320 15.022 664 HH21 ARG 87 1HH2 ARG 87 -1.359 -9.513 12.368 665 HH22 ARG 87 2HH2 ARG 87 -1.127 -9.416 14.084 666 H VAL 88 H VAL 88 -1.969 -1.080 13.364 667 HA VAL 88 HA VAL 88 -3.330 1.497 13.118 668 HB VAL 88 HB VAL 88 -1.684 0.870 14.899 669 HG11 VAL 88 1HG1 VAL 88 0.406 1.250 12.736 670 HG12 VAL 88 2HG1 VAL 88 0.705 0.948 14.458 671 HG13 VAL 88 3HG1 VAL 88 -0.035 -0.311 13.459 672 HG21 VAL 88 3HG2 VAL 88 -2.234 3.241 14.431 673 HG22 VAL 88 1HG2 VAL 88 -0.620 3.007 15.094 674 HG23 VAL 88 2HG2 VAL 88 -0.808 3.338 13.374 675 H VAL 89 H VAL 89 -2.460 3.234 11.725 676 HA VAL 89 HA VAL 89 -1.011 2.277 9.301 677 HB VAL 89 HB VAL 89 -3.064 4.448 9.781 678 HG11 VAL 89 1HG1 VAL 89 -2.726 5.161 7.431 679 HG12 VAL 89 2HG1 VAL 89 -1.372 5.565 8.472 680 HG13 VAL 89 3HG1 VAL 89 -1.235 4.194 7.355 681 HG21 VAL 89 3HG2 VAL 89 -3.614 3.003 7.406 682 HG22 VAL 89 1HG2 VAL 89 -3.050 1.782 8.535 683 HG23 VAL 89 2HG2 VAL 89 -4.397 2.829 8.981 684 H VAL 90 H VAL 90 0.988 2.929 9.144 685 HA VAL 90 HA VAL 90 1.907 5.354 10.615 686 HB VAL 90 HB VAL 90 3.548 2.983 9.612 687 HG11 VAL 90 1HG1 VAL 90 5.402 4.105 10.837 688 HG12 VAL 90 2HG1 VAL 90 4.801 5.098 9.502 689 HG13 VAL 90 3HG1 VAL 90 4.340 5.491 11.167 690 HG21 VAL 90 3HG2 VAL 90 3.994 2.605 12.063 691 HG22 VAL 90 1HG2 VAL 90 2.704 3.778 12.426 692 HG23 VAL 90 2HG2 VAL 90 2.332 2.266 11.580 693 H THR 91 H THR 91 2.342 7.033 9.327 694 HA THR 91 HA THR 91 2.385 6.646 6.384 695 HB THR 91 HB THR 91 2.124 9.194 6.478 696 HG1 THR 91 1HG THR 91 2.758 9.461 8.725 697 HG21 THR 91 3HG2 THR 91 0.191 7.785 6.036 698 HG22 THR 91 1HG2 THR 91 -0.283 9.127 7.091 699 HG23 THR 91 2HG2 THR 91 -0.057 7.499 7.769 700 H LYS 92 H LYS 92 4.193 7.308 5.192 701 HA LYS 92 HA LYS 92 6.197 9.039 6.462 702 HB2 LYS 92 1HB LYS 92 6.839 6.428 5.029 703 HB3 LYS 92 2HB LYS 92 7.973 7.776 5.172 704 HG2 LYS 92 1HG LYS 92 7.915 7.592 7.633 705 HG3 LYS 92 2HG LYS 92 6.818 6.213 7.497 706 HD2 LYS 92 1HD LYS 92 9.047 5.346 7.817 707 HD3 LYS 92 2HD LYS 92 8.556 5.001 6.171 708 HE2 LYS 92 1HE LYS 92 9.840 7.051 5.431 709 HE3 LYS 92 2HE LYS 92 10.390 7.254 7.096 710 HZ1 LYS 92 3HZ LYS 92 11.472 5.099 6.890 711 HZ2 LYS 92 1HZ LYS 92 12.000 6.128 5.726 712 HZ3 LYS 92 2HZ LYS 92 10.966 4.967 5.322 713 H TYR 93 H TYR 93 7.371 10.219 4.695 714 HA TYR 93 HA TYR 93 5.975 10.384 2.111 715 HB2 TYR 93 1HB TYR 93 8.686 11.430 2.996 716 HB3 TYR 93 2HB TYR 93 7.881 11.827 1.479 717 HD1 TYR 93 2HD TYR 93 5.091 12.313 2.310 718 HD2 TYR 93 1HD TYR 93 8.808 13.538 4.095 719 HE1 TYR 93 2HE TYR 93 3.892 14.051 3.517 720 HE2 TYR 93 1HE TYR 93 7.625 15.354 5.334 721 HH TYR 93 HH TYR 93 4.199 15.959 4.708 722 H CYS 94 H CYS 94 6.998 9.755 0.146 723 HA CYS 94 HA CYS 94 9.117 7.687 0.332 724 HB2 CYS 94 1HB CYS 94 6.466 7.461 -0.812 725 HB3 CYS 94 2HB CYS 94 7.617 7.530 -2.157 726 HG CYS 94 HG CYS 94 8.585 5.396 -1.935 727 H ASP 95 H ASP 95 10.019 7.721 -2.212 728 HA ASP 95 HA ASP 95 10.236 10.578 -3.003 729 HB2 ASP 95 1HB ASP 95 12.018 8.263 -3.805 730 HB3 ASP 95 2HB ASP 95 11.991 9.846 -4.564 731 HA PRO 96 HA PRO 96 7.273 9.076 -5.886 732 HB2 PRO 96 1HB PRO 96 7.176 11.087 -7.747 733 HB3 PRO 96 2HB PRO 96 6.668 11.336 -6.064 734 HG2 PRO 96 1HG PRO 96 9.382 11.947 -7.228 735 HG3 PRO 96 2HG PRO 96 8.327 13.031 -6.296 736 HD2 PRO 96 1HD PRO 96 10.283 11.695 -5.032 737 HD3 PRO 96 2HD PRO 96 8.632 11.754 -4.316 738 H ASP 97 H ASP 97 10.506 9.729 -7.150 739 HA ASP 97 HA ASP 97 10.215 8.820 -9.783 740 HB2 ASP 97 1HB ASP 97 12.420 9.527 -8.391 741 HB3 ASP 97 2HB ASP 97 12.617 7.751 -8.383 742 H SER 98 H SER 98 10.800 6.870 -6.840 743 HA SER 98 HA SER 98 10.830 4.416 -8.242 744 HB2 SER 98 1HB SER 98 10.747 3.590 -5.706 745 HB3 SER 98 2HB SER 98 12.172 4.320 -6.409 746 HG SER 98 HG SER 98 10.303 5.464 -4.644 747 H TYR 99 H TYR 99 8.252 6.365 -7.788 748 HA TYR 99 HA TYR 99 6.291 4.187 -7.386 749 HB2 TYR 99 1HB TYR 99 5.877 6.344 -6.158 750 HB3 TYR 99 2HB TYR 99 5.809 7.181 -7.684 751 HD1 TYR 99 2HD TYR 99 4.025 6.528 -9.398 752 HD2 TYR 99 1HD TYR 99 3.911 5.318 -5.283 753 HE1 TYR 99 2HE TYR 99 1.621 5.891 -9.659 754 HE2 TYR 99 1HE TYR 99 1.498 4.765 -5.504 755 HH TYR 99 HH TYR 99 0.157 3.919 -8.177 756 H HIS 100 H HIS 100 7.345 6.802 -9.633 757 HA HIS 100 HA HIS 100 5.602 6.140 -11.765 758 HB2 HIS 100 1HB HIS 100 8.417 7.258 -12.023 759 HB3 HIS 100 2HB HIS 100 7.108 7.404 -13.185 760 HD1 HIS 100 1HD HIS 100 8.823 9.426 -10.735 761 HD2 HIS 100 2HD HIS 100 4.809 8.753 -11.744 762 HE1 HIS 100 1HE HIS 100 7.541 11.364 -9.852 763 H ARG 101 H ARG 101 8.665 4.757 -10.748 764 HA ARG 101 HA ARG 101 8.575 2.793 -12.996 765 HB2 ARG 101 1HB ARG 101 10.849 3.547 -11.107 766 HB3 ARG 101 2HB ARG 101 10.891 2.231 -12.265 767 HG2 ARG 101 1HG ARG 101 10.379 4.052 -14.075 768 HG3 ARG 101 2HG ARG 101 10.897 5.207 -12.813 769 HD2 ARG 101 1HD ARG 101 12.957 3.769 -12.514 770 HD3 ARG 101 2HD ARG 101 12.439 2.823 -13.915 771 HE ARG 101 HE ARG 101 12.502 5.259 -14.997 772 HH11 ARG 101 1HH1 ARG 101 14.890 3.702 -12.868 773 HH12 ARG 101 2HH1 ARG 101 16.224 4.593 -13.410 774 HH21 ARG 101 1HH2 ARG 101 14.230 6.403 -15.818 775 HH22 ARG 101 2HH2 ARG 101 15.776 6.365 -15.074 776 H ARG 102 H ARG 102 9.151 0.624 -12.370 777 HA ARG 102 HA ARG 102 7.533 -0.408 -10.237 778 HB2 ARG 102 1HB ARG 102 8.101 -1.266 -12.668 779 HB3 ARG 102 2HB ARG 102 9.466 -2.036 -11.840 780 HG2 ARG 102 1HG ARG 102 7.581 -2.956 -10.244 781 HG3 ARG 102 2HG ARG 102 6.542 -2.599 -11.643 782 HD2 ARG 102 1HD ARG 102 8.774 -4.546 -11.256 783 HD3 ARG 102 2HD ARG 102 7.224 -4.782 -12.044 784 HE ARG 102 HE ARG 102 9.739 -4.018 -13.200 785 HH11 ARG 102 1HH1 ARG 102 6.168 -3.652 -13.872 786 HH12 ARG 102 2HH1 ARG 102 6.476 -3.071 -15.449 787 HH21 ARG 102 1HH2 ARG 102 9.968 -2.902 -15.192 788 HH22 ARG 102 2HH2 ARG 102 8.612 -2.530 -16.162 789 H ASP 103 H ASP 103 9.813 1.228 -9.215 790 HA ASP 103 HA ASP 103 12.003 -0.704 -8.796 791 HB2 ASP 103 1HB ASP 103 12.390 1.530 -9.855 792 HB3 ASP 103 2HB ASP 103 11.995 2.294 -8.346 793 H PHE 104 H PHE 104 10.432 -1.807 -7.204 794 HA PHE 104 HA PHE 104 10.093 -0.334 -4.686 795 HB2 PHE 104 1HB PHE 104 9.018 -3.074 -5.359 796 HB3 PHE 104 2HB PHE 104 8.377 -1.876 -4.228 797 HD1 PHE 104 2HD PHE 104 8.174 0.608 -5.859 798 HD2 PHE 104 1HD PHE 104 7.389 -3.497 -6.976 799 HE1 PHE 104 2HE PHE 104 6.619 1.374 -7.627 800 HE2 PHE 104 1HE PHE 104 5.860 -2.721 -8.744 801 HZ PHE 104 HZ PHE 104 5.407 -0.277 -9.029 802 H TRP 105 H TRP 105 10.328 -1.681 -2.639 803 HA TRP 105 HA TRP 105 12.307 -3.776 -2.554 804 HB2 TRP 105 1HB TRP 105 13.514 -1.449 -2.784 805 HB3 TRP 105 2HB TRP 105 13.046 -1.244 -1.092 806 HD1 TRP 105 HD TRP 105 14.738 -3.955 -3.262 807 HE1 TRP 105 1HE TRP 105 16.731 -4.937 -2.044 808 HE3 TRP 105 3HE TRP 105 14.330 -1.294 1.089 809 HZ2 TRP 105 2HZ TRP 105 18.069 -4.540 0.534 810 HZ3 TRP 105 3HZ TRP 105 16.000 -1.584 2.885 811 HH2 TRP 105 HH TRP 105 17.870 -3.193 2.622 Start of MODEL 4 1 H1 GLY 1 H GLY 1 16.053 10.099 5.478 2 HA2 GLY 1 1HA GLY 1 13.176 10.766 5.227 3 HA3 GLY 1 2HA GLY 1 14.294 11.431 6.434 4 H GLY 2 H GLY 2 12.638 12.818 4.312 5 HA2 GLY 2 1HA GLY 2 14.590 14.605 3.226 6 HA3 GLY 2 2HA GLY 2 13.940 13.483 2.006 7 H HIS 3 H HIS 3 13.149 15.572 1.144 8 HA HIS 3 HA HIS 3 11.255 17.247 2.355 9 HB2 HIS 3 1HB HIS 3 10.750 17.942 0.035 10 HB3 HIS 3 2HB HIS 3 12.476 17.856 0.338 11 HD1 HIS 3 1HD HIS 3 13.847 15.985 -1.063 12 HD2 HIS 3 2HD HIS 3 9.737 16.367 -1.878 13 HE1 HIS 3 1HE HIS 3 13.441 14.729 -3.205 14 HA PRO 4 HA PRO 4 7.402 14.903 1.836 15 HB2 PRO 4 1HB PRO 4 5.580 16.928 1.749 16 HB3 PRO 4 2HB PRO 4 6.437 16.512 3.267 17 HG2 PRO 4 1HG PRO 4 7.137 18.707 1.299 18 HG3 PRO 4 2HG PRO 4 7.007 18.807 3.076 19 HD2 PRO 4 1HD PRO 4 9.396 18.470 1.829 20 HD3 PRO 4 2HD PRO 4 9.051 17.727 3.415 21 H THR 5 H THR 5 6.250 14.261 0.018 22 HA THR 5 HA THR 5 6.851 15.554 -2.572 23 HB THR 5 HB THR 5 6.769 13.067 -3.304 24 HG1 THR 5 1HG THR 5 7.177 11.652 -1.423 25 HG21 THR 5 3HG2 THR 5 9.021 12.525 -2.422 26 HG22 THR 5 1HG2 THR 5 8.920 13.873 -1.275 27 HG23 THR 5 2HG2 THR 5 8.911 14.165 -3.055 28 H GLU 6 H GLU 6 5.202 14.473 -4.204 29 HA GLU 6 HA GLU 6 2.490 14.999 -3.217 30 HB2 GLU 6 1HB GLU 6 3.231 14.127 -6.022 31 HB3 GLU 6 2HB GLU 6 1.768 14.966 -5.462 32 HG2 GLU 6 1HG GLU 6 3.505 16.773 -4.671 33 HG3 GLU 6 2HG GLU 6 4.569 16.057 -5.860 34 H VAL 7 H VAL 7 4.293 12.289 -2.548 35 HA VAL 7 HA VAL 7 2.002 10.514 -2.949 36 HB VAL 7 HB VAL 7 3.395 8.813 -3.617 37 HG11 VAL 7 1HG1 VAL 7 4.653 11.141 -5.104 38 HG12 VAL 7 2HG1 VAL 7 4.373 9.517 -5.731 39 HG13 VAL 7 3HG1 VAL 7 3.003 10.609 -5.404 40 HG21 VAL 7 3HG2 VAL 7 5.966 10.185 -3.192 41 HG22 VAL 7 1HG2 VAL 7 5.190 8.845 -2.240 42 HG23 VAL 7 2HG2 VAL 7 5.615 8.569 -3.938 43 H LEU 8 H LEU 8 1.974 8.744 -1.417 44 HA LEU 8 HA LEU 8 3.611 9.137 1.023 45 HB2 LEU 8 1HB LEU 8 1.106 10.179 1.043 46 HB3 LEU 8 2HB LEU 8 0.700 8.490 1.436 47 HG LEU 8 HG LEU 8 2.390 8.650 3.325 48 HD11 LEU 8 1HD1 LEU 8 3.260 10.965 2.144 49 HD12 LEU 8 2HD1 LEU 8 3.431 10.611 3.854 50 HD13 LEU 8 3HD1 LEU 8 2.106 11.640 3.287 51 HD21 LEU 8 3HD2 LEU 8 0.016 10.524 3.427 52 HD22 LEU 8 1HD2 LEU 8 0.900 9.871 4.826 53 HD23 LEU 8 2HD2 LEU 8 0.006 8.789 3.757 54 H CYS 9 H CYS 9 3.392 7.226 2.495 55 HA CYS 9 HA CYS 9 2.638 4.702 1.159 56 HB2 CYS 9 1HB CYS 9 4.954 4.864 0.638 57 HB3 CYS 9 2HB CYS 9 5.362 5.562 2.218 58 HG CYS 9 HG CYS 9 4.459 2.490 1.417 59 H LEU 10 H LEU 10 1.792 3.256 2.417 60 HA LEU 10 HA LEU 10 1.384 3.886 5.289 61 HB2 LEU 10 1HB LEU 10 -0.486 2.531 3.295 62 HB3 LEU 10 2HB LEU 10 -0.840 3.118 4.902 63 HG LEU 10 HG LEU 10 -1.820 4.483 3.359 64 HD11 LEU 10 1HD1 LEU 10 -0.954 5.610 5.345 65 HD12 LEU 10 2HD1 LEU 10 -1.134 6.703 3.983 66 HD13 LEU 10 3HD1 LEU 10 0.461 6.116 4.424 67 HD21 LEU 10 3HD2 LEU 10 -0.231 4.036 1.421 68 HD22 LEU 10 1HD2 LEU 10 0.498 5.567 1.923 69 HD23 LEU 10 2HD2 LEU 10 -1.208 5.505 1.499 70 H MET 11 H MET 11 2.063 2.281 6.604 71 HA MET 11 HA MET 11 2.498 -0.486 5.521 72 HB2 MET 11 1HB MET 11 3.634 0.959 7.909 73 HB3 MET 11 2HB MET 11 3.870 -0.751 7.627 74 HG2 MET 11 1HG MET 11 5.247 -0.422 5.775 75 HG3 MET 11 2HG MET 11 4.572 1.166 5.404 76 HE1 MET 11 3HE MET 11 5.288 3.417 6.376 77 HE2 MET 11 1HE MET 11 4.636 2.930 7.956 78 HE3 MET 11 2HE MET 11 6.268 3.606 7.843 79 H ASN 12 H ASN 12 2.047 -2.222 6.990 80 HA ASN 12 HA ASN 12 0.947 -3.529 8.433 81 HB2 ASN 12 1HB ASN 12 -0.407 -1.123 9.623 82 HB3 ASN 12 2HB ASN 12 -0.309 -2.720 10.328 83 HD21 ASN 12 1HD2 ASN 12 0.380 -0.375 11.647 84 HD22 ASN 12 2HD2 ASN 12 2.076 -0.468 12.087 85 H MET 13 H MET 13 -0.560 -2.038 5.910 86 HA MET 13 HA MET 13 -3.339 -2.435 6.519 87 HB2 MET 13 1HB MET 13 -1.736 -1.723 4.192 88 HB3 MET 13 2HB MET 13 -3.015 -2.842 3.742 89 HG2 MET 13 1HG MET 13 -4.328 -1.109 3.565 90 HG3 MET 13 2HG MET 13 -4.300 -0.940 5.308 91 HE1 MET 13 3HE MET 13 -0.886 0.204 5.514 92 HE2 MET 13 1HE MET 13 -1.753 1.649 6.087 93 HE3 MET 13 2HE MET 13 -2.373 0.036 6.472 94 H VAL 14 H VAL 14 -1.140 -4.378 4.471 95 HA VAL 14 HA VAL 14 -2.955 -6.710 4.698 96 HB VAL 14 HB VAL 14 -2.107 -7.037 2.283 97 HG11 VAL 14 1HG1 VAL 14 -3.819 -5.493 1.379 98 HG12 VAL 14 2HG1 VAL 14 -4.386 -6.358 2.812 99 HG13 VAL 14 3HG1 VAL 14 -3.901 -4.670 2.939 100 HG21 VAL 14 3HG2 VAL 14 -1.348 -5.061 1.052 101 HG22 VAL 14 1HG2 VAL 14 -1.352 -4.090 2.509 102 HG23 VAL 14 2HG2 VAL 14 -0.210 -5.443 2.353 103 H LEU 15 H LEU 15 -2.116 -8.702 4.837 104 HA LEU 15 HA LEU 15 0.643 -9.031 5.714 105 HB2 LEU 15 1HB LEU 15 -1.933 -10.652 5.678 106 HB3 LEU 15 2HB LEU 15 -0.432 -11.493 5.832 107 HG LEU 15 HG LEU 15 0.178 -10.539 7.793 108 HD11 LEU 15 1HD1 LEU 15 -1.965 -8.439 7.545 109 HD12 LEU 15 2HD1 LEU 15 -0.221 -8.183 7.517 110 HD13 LEU 15 3HD1 LEU 15 -0.978 -8.712 9.005 111 HD21 LEU 15 3HD2 LEU 15 -1.624 -12.213 7.971 112 HD22 LEU 15 1HD2 LEU 15 -2.846 -10.944 7.913 113 HD23 LEU 15 2HD2 LEU 15 -1.729 -11.070 9.308 114 HA PRO 16 HA PRO 16 2.262 -10.755 2.049 115 HB2 PRO 16 1HB PRO 16 3.891 -12.835 2.951 116 HB3 PRO 16 2HB PRO 16 4.249 -11.121 3.310 117 HG2 PRO 16 1HG PRO 16 2.763 -13.104 5.055 118 HG3 PRO 16 2HG PRO 16 4.173 -12.079 5.489 119 HD2 PRO 16 1HD PRO 16 1.697 -11.258 6.076 120 HD3 PRO 16 2HD PRO 16 2.864 -10.089 5.405 121 H GLU 17 H GLU 17 -0.107 -12.461 3.623 122 HA GLU 17 HA GLU 17 0.007 -14.816 1.796 123 HB2 GLU 17 1HB GLU 17 -0.617 -16.156 3.742 124 HB3 GLU 17 2HB GLU 17 0.902 -15.293 3.972 125 HG2 GLU 17 1HG GLU 17 -0.517 -13.515 5.229 126 HG3 GLU 17 2HG GLU 17 -1.777 -14.729 5.301 127 H GLU 18 H GLU 18 -1.852 -12.127 2.465 128 HA GLU 18 HA GLU 18 -4.375 -13.581 1.822 129 HB2 GLU 18 1HB GLU 18 -5.601 -11.933 3.022 130 HB3 GLU 18 2HB GLU 18 -4.361 -12.641 4.045 131 HG2 GLU 18 1HG GLU 18 -2.899 -10.594 3.508 132 HG3 GLU 18 2HG GLU 18 -4.351 -9.882 2.790 133 H LEU 19 H LEU 19 -2.094 -11.489 0.552 134 HA LEU 19 HA LEU 19 -3.781 -9.946 -1.224 135 HB2 LEU 19 1HB LEU 19 -0.787 -10.522 -1.139 136 HB3 LEU 19 2HB LEU 19 -1.523 -9.408 -2.290 137 HG LEU 19 HG LEU 19 -1.550 -9.026 0.725 138 HD11 LEU 19 1HD1 LEU 19 0.037 -7.213 0.254 139 HD12 LEU 19 2HD1 LEU 19 0.063 -7.672 -1.460 140 HD13 LEU 19 3HD1 LEU 19 0.691 -8.787 -0.221 141 HD21 LEU 19 3HD2 LEU 19 -3.522 -7.961 -0.332 142 HD22 LEU 19 1HD2 LEU 19 -2.527 -7.356 -1.669 143 HD23 LEU 19 2HD2 LEU 19 -2.330 -6.687 -0.054 144 H LEU 20 H LEU 20 -4.704 -12.444 -1.655 145 HA LEU 20 HA LEU 20 -3.367 -13.402 -4.163 146 HB2 LEU 20 1HB LEU 20 -4.174 -15.049 -1.759 147 HB3 LEU 20 2HB LEU 20 -3.825 -15.713 -3.341 148 HG LEU 20 HG LEU 20 -1.937 -16.082 -2.068 149 HD11 LEU 20 1HD1 LEU 20 -1.163 -13.729 -3.829 150 HD12 LEU 20 2HD1 LEU 20 -1.578 -15.360 -4.443 151 HD13 LEU 20 3HD1 LEU 20 -0.202 -15.115 -3.367 152 HD21 LEU 20 3HD2 LEU 20 -1.318 -13.218 -1.455 153 HD22 LEU 20 1HD2 LEU 20 -0.730 -14.722 -0.707 154 HD23 LEU 20 2HD2 LEU 20 -2.383 -14.171 -0.418 155 H ASP 21 H ASP 21 -6.401 -12.658 -2.746 156 HA ASP 21 HA ASP 21 -7.997 -13.979 -4.820 157 HB2 ASP 21 1HB ASP 21 -9.725 -12.265 -4.123 158 HB3 ASP 21 2HB ASP 21 -9.174 -13.256 -2.784 159 H ASP 22 H ASP 22 -9.274 -12.244 -6.265 160 HA ASP 22 HA ASP 22 -7.500 -9.982 -7.096 161 HB2 ASP 22 1HB ASP 22 -7.828 -12.002 -8.787 162 HB3 ASP 22 2HB ASP 22 -9.457 -11.353 -8.935 163 H GLU 23 H GLU 23 -10.198 -10.886 -5.579 164 HA GLU 23 HA GLU 23 -12.103 -8.905 -6.634 165 HB2 GLU 23 1HB GLU 23 -12.408 -11.106 -4.543 166 HB3 GLU 23 2HB GLU 23 -13.716 -10.044 -5.124 167 HG2 GLU 23 1HG GLU 23 -13.350 -10.917 -7.428 168 HG3 GLU 23 2HG GLU 23 -12.126 -12.022 -6.820 169 H GLU 24 H GLU 24 -11.124 -9.908 -3.282 170 HA GLU 24 HA GLU 24 -12.059 -7.615 -2.023 171 HB2 GLU 24 1HB GLU 24 -11.867 -9.678 -0.875 172 HB3 GLU 24 2HB GLU 24 -10.245 -9.976 -1.427 173 HG2 GLU 24 1HG GLU 24 -10.130 -9.463 0.878 174 HG3 GLU 24 2HG GLU 24 -9.450 -8.111 -0.027 175 H TYR 25 H TYR 25 -8.880 -8.408 -3.421 176 HA TYR 25 HA TYR 25 -7.270 -6.343 -2.581 177 HB2 TYR 25 1HB TYR 25 -6.633 -8.189 -4.063 178 HB3 TYR 25 2HB TYR 25 -7.624 -7.529 -5.354 179 HD1 TYR 25 2HD TYR 25 -6.886 -5.563 -6.639 180 HD2 TYR 25 1HD TYR 25 -4.465 -7.252 -3.498 181 HE1 TYR 25 2HE TYR 25 -4.918 -4.443 -7.591 182 HE2 TYR 25 1HE TYR 25 -2.459 -6.153 -4.464 183 HH TYR 25 HH TYR 25 -1.647 -4.721 -6.094 184 H GLU 26 H GLU 26 -9.839 -6.111 -5.082 185 HA GLU 26 HA GLU 26 -9.200 -3.302 -5.691 186 HB2 GLU 26 1HB GLU 26 -10.764 -5.505 -6.882 187 HB3 GLU 26 2HB GLU 26 -11.777 -4.081 -6.707 188 HG2 GLU 26 1HG GLU 26 -9.020 -4.032 -7.930 189 HG3 GLU 26 2HG GLU 26 -10.492 -4.293 -8.890 190 H GLU 27 H GLU 27 -11.521 -5.138 -3.738 191 HA GLU 27 HA GLU 27 -13.245 -2.957 -3.073 192 HB2 GLU 27 1HB GLU 27 -12.548 -5.285 -1.250 193 HB3 GLU 27 2HB GLU 27 -13.975 -4.251 -1.157 194 HG2 GLU 27 1HG GLU 27 -13.291 -6.196 -3.387 195 HG3 GLU 27 2HG GLU 27 -14.494 -6.427 -2.151 196 H ILE 28 H ILE 28 -10.269 -4.173 -1.575 197 HA ILE 28 HA ILE 28 -10.106 -2.252 0.547 198 HB ILE 28 HB ILE 28 -7.913 -3.826 -0.884 199 HG12 ILE 28 1HG1 ILE 28 -9.164 -4.478 1.814 200 HG13 ILE 28 2HG1 ILE 28 -9.813 -5.146 0.351 201 HG21 ILE 28 1HG2 ILE 28 -6.647 -3.417 1.322 202 HG22 ILE 28 2HG2 ILE 28 -6.914 -1.958 0.360 203 HG23 ILE 28 3HG2 ILE 28 -7.947 -2.295 1.763 204 HD11 ILE 28 3HD1 ILE 28 -6.957 -5.572 1.331 205 HD12 ILE 28 1HD1 ILE 28 -8.256 -6.738 1.334 206 HD13 ILE 28 2HD1 ILE 28 -7.608 -6.163 -0.219 207 H VAL 29 H VAL 29 -9.110 -2.135 -2.904 208 HA VAL 29 HA VAL 29 -7.664 0.353 -2.641 209 HB VAL 29 HB VAL 29 -8.975 -1.053 -4.990 210 HG11 VAL 29 1HG1 VAL 29 -7.957 0.563 -6.492 211 HG12 VAL 29 2HG1 VAL 29 -9.149 1.353 -5.471 212 HG13 VAL 29 3HG1 VAL 29 -7.416 1.555 -5.117 213 HG21 VAL 29 3HG2 VAL 29 -6.684 -1.414 -5.728 214 HG22 VAL 29 1HG2 VAL 29 -6.036 -0.404 -4.407 215 HG23 VAL 29 2HG2 VAL 29 -6.813 -1.964 -4.061 216 H GLU 30 H GLU 30 -11.094 -0.410 -3.547 217 HA GLU 30 HA GLU 30 -11.669 2.353 -3.864 218 HB2 GLU 30 1HB GLU 30 -13.614 0.038 -3.570 219 HB3 GLU 30 2HB GLU 30 -14.012 1.678 -4.110 220 HG2 GLU 30 1HG GLU 30 -11.963 1.099 -5.830 221 HG3 GLU 30 2HG GLU 30 -12.609 -0.518 -5.591 222 H ASP 31 H ASP 31 -12.047 0.229 -1.054 223 HA ASP 31 HA ASP 31 -13.712 2.000 0.494 224 HB2 ASP 31 1HB ASP 31 -13.029 -0.511 0.903 225 HB3 ASP 31 2HB ASP 31 -11.623 0.160 1.707 226 H VAL 32 H VAL 32 -10.264 1.818 0.058 227 HA VAL 32 HA VAL 32 -9.734 3.845 2.135 228 HB VAL 32 HB VAL 32 -7.953 2.248 0.288 229 HG11 VAL 32 1HG1 VAL 32 -6.818 4.356 1.011 230 HG12 VAL 32 2HG1 VAL 32 -7.164 3.924 2.694 231 HG13 VAL 32 3HG1 VAL 32 -6.074 2.917 1.678 232 HG21 VAL 32 3HG2 VAL 32 -8.504 1.867 3.248 233 HG22 VAL 32 1HG2 VAL 32 -9.071 0.809 1.928 234 HG23 VAL 32 2HG2 VAL 32 -7.346 0.948 2.271 235 H ARG 33 H ARG 33 -9.995 3.561 -1.413 236 HA ARG 33 HA ARG 33 -8.963 6.165 -1.985 237 HB2 ARG 33 1HB ARG 33 -9.238 4.315 -3.645 238 HB3 ARG 33 2HB ARG 33 -10.997 4.392 -3.440 239 HG2 ARG 33 1HG ARG 33 -10.948 6.698 -4.459 240 HG3 ARG 33 2HG ARG 33 -9.203 6.506 -4.730 241 HD2 ARG 33 1HD ARG 33 -9.819 4.290 -5.935 242 HD3 ARG 33 2HD ARG 33 -11.494 4.768 -5.802 243 HE ARG 33 HE ARG 33 -9.368 6.172 -7.343 244 HH11 ARG 33 1HH1 ARG 33 -12.827 5.402 -6.996 245 HH12 ARG 33 2HH1 ARG 33 -13.260 6.037 -8.546 246 HH21 ARG 33 1HH2 ARG 33 -9.894 6.623 -9.513 247 HH22 ARG 33 2HH2 ARG 33 -11.544 6.611 -10.045 248 H ASP 34 H ASP 34 -12.121 5.137 -0.698 249 HA ASP 34 HA ASP 34 -13.216 7.842 -0.917 250 HB2 ASP 34 1HB ASP 34 -14.812 6.194 -0.280 251 HB3 ASP 34 2HB ASP 34 -13.798 5.558 1.028 252 H GLU 35 H GLU 35 -11.635 6.027 1.773 253 HA GLU 35 HA GLU 35 -11.926 8.134 3.472 254 HB2 GLU 35 1HB GLU 35 -10.816 7.024 5.086 255 HB3 GLU 35 2HB GLU 35 -11.296 5.707 4.013 256 HG2 GLU 35 1HG GLU 35 -8.945 5.597 3.129 257 HG3 GLU 35 2HG GLU 35 -8.526 6.946 4.167 258 H CYS 36 H CYS 36 -9.074 7.486 1.512 259 HA CYS 36 HA CYS 36 -7.551 9.632 2.745 260 HB2 CYS 36 1HB CYS 36 -6.625 7.494 1.858 261 HB3 CYS 36 2HB CYS 36 -6.963 8.038 0.215 262 HG CYS 36 HG CYS 36 -4.421 8.195 1.149 263 H SER 37 H SER 37 -9.802 9.345 0.062 264 HA SER 37 HA SER 37 -9.149 11.789 -1.293 265 HB2 SER 37 1HB SER 37 -10.276 9.905 -2.289 266 HB3 SER 37 2HB SER 37 -11.722 10.206 -1.305 267 HG SER 37 HG SER 37 -12.270 11.371 -2.902 268 H LYS 38 H LYS 38 -10.680 11.084 1.776 269 HA LYS 38 HA LYS 38 -12.364 13.398 1.967 270 HB2 LYS 38 1HB LYS 38 -10.939 11.848 4.177 271 HB3 LYS 38 2HB LYS 38 -12.234 13.008 4.407 272 HG2 LYS 38 1HG LYS 38 -13.795 11.686 3.142 273 HG3 LYS 38 2HG LYS 38 -12.563 10.533 2.679 274 HD2 LYS 38 1HD LYS 38 -13.810 9.453 4.301 275 HD3 LYS 38 2HD LYS 38 -12.266 9.845 5.042 276 HE2 LYS 38 1HE LYS 38 -14.200 10.086 6.540 277 HE3 LYS 38 2HE LYS 38 -13.289 11.599 6.380 278 HZ1 LYS 38 3HZ LYS 38 -15.563 11.165 4.617 279 HZ2 LYS 38 1HZ LYS 38 -14.975 12.574 5.298 280 HZ3 LYS 38 2HZ LYS 38 -15.886 11.504 6.173 281 H TYR 39 H TYR 39 -8.967 13.186 1.762 282 HA TYR 39 HA TYR 39 -8.541 15.764 3.200 283 HB2 TYR 39 1HB TYR 39 -6.696 13.452 2.511 284 HB3 TYR 39 2HB TYR 39 -6.143 14.979 3.191 285 HD1 TYR 39 1HD TYR 39 -8.151 11.929 3.884 286 HD2 TYR 39 2HD TYR 39 -6.614 15.647 5.472 287 HE1 TYR 39 1HE TYR 39 -8.945 11.293 6.124 288 HE2 TYR 39 2HE TYR 39 -7.391 14.995 7.734 289 HH TYR 39 HH TYR 39 -9.531 12.341 8.207 290 H GLY 40 H GLY 40 -8.818 14.664 -0.045 291 HA2 GLY 40 1HA GLY 40 -8.135 16.883 -1.454 292 HA3 GLY 40 2HA GLY 40 -6.570 16.128 -1.099 293 H LEU 41 H LEU 41 -6.574 15.901 -3.515 294 HA LEU 41 HA LEU 41 -8.406 13.769 -4.460 295 HB2 LEU 41 1HB LEU 41 -7.911 15.986 -5.624 296 HB3 LEU 41 2HB LEU 41 -6.457 15.231 -6.198 297 HG LEU 41 HG LEU 41 -8.213 15.107 -7.847 298 HD11 LEU 41 1HD1 LEU 41 -6.663 13.137 -7.631 299 HD12 LEU 41 2HD1 LEU 41 -8.217 12.789 -8.421 300 HD13 LEU 41 3HD1 LEU 41 -7.961 12.319 -6.741 301 HD21 LEU 41 3HD2 LEU 41 -10.144 15.193 -6.235 302 HD22 LEU 41 1HD2 LEU 41 -9.933 13.452 -5.970 303 HD23 LEU 41 2HD2 LEU 41 -10.319 14.055 -7.584 304 H VAL 42 H VAL 42 -7.804 11.946 -3.997 305 HA VAL 42 HA VAL 42 -5.067 10.814 -4.012 306 HB VAL 42 HB VAL 42 -7.814 9.515 -3.801 307 HG11 VAL 42 1HG1 VAL 42 -5.035 8.300 -3.488 308 HG12 VAL 42 2HG1 VAL 42 -6.549 7.501 -3.050 309 HG13 VAL 42 3HG1 VAL 42 -6.221 7.889 -4.743 310 HG21 VAL 42 3HG2 VAL 42 -7.323 9.190 -1.496 311 HG22 VAL 42 1HG2 VAL 42 -5.688 9.869 -1.658 312 HG23 VAL 42 2HG2 VAL 42 -7.114 10.909 -1.813 313 H LYS 43 H LYS 43 -4.117 10.732 -5.902 314 HA LYS 43 HA LYS 43 -5.522 10.609 -8.430 315 HB2 LYS 43 1HB LYS 43 -3.283 11.767 -8.027 316 HB3 LYS 43 2HB LYS 43 -2.571 10.180 -7.884 317 HG2 LYS 43 1HG LYS 43 -2.232 10.302 -10.115 318 HG3 LYS 43 2HG LYS 43 -3.935 9.877 -10.245 319 HD2 LYS 43 1HD LYS 43 -4.331 12.498 -10.077 320 HD3 LYS 43 2HD LYS 43 -2.605 12.580 -10.499 321 HE2 LYS 43 1HE LYS 43 -3.149 10.966 -12.428 322 HE3 LYS 43 2HE LYS 43 -4.857 11.228 -12.046 323 HZ1 LYS 43 3HZ LYS 43 -4.393 13.654 -12.454 324 HZ2 LYS 43 1HZ LYS 43 -4.235 12.674 -13.781 325 HZ3 LYS 43 2HZ LYS 43 -2.896 13.212 -12.994 326 H SER 44 H SER 44 -3.129 8.300 -6.898 327 HA SER 44 HA SER 44 -4.751 5.986 -7.772 328 HB2 SER 44 1HB SER 44 -2.486 5.259 -8.977 329 HB3 SER 44 2HB SER 44 -3.733 6.203 -9.787 330 HG SER 44 HG SER 44 -2.286 7.589 -10.153 331 H ILE 45 H ILE 45 -3.500 3.867 -7.219 332 HA ILE 45 HA ILE 45 -1.997 4.087 -4.694 333 HB ILE 45 HB ILE 45 -4.622 2.575 -5.096 334 HG12 ILE 45 1HG1 ILE 45 -4.749 4.114 -2.726 335 HG13 ILE 45 2HG1 ILE 45 -4.000 5.181 -3.867 336 HG21 ILE 45 1HG2 ILE 45 -2.781 2.555 -2.684 337 HG22 ILE 45 2HG2 ILE 45 -4.416 1.849 -2.743 338 HG23 ILE 45 3HG2 ILE 45 -3.144 1.184 -3.758 339 HD11 ILE 45 3HD1 ILE 45 -5.846 4.995 -5.412 340 HD12 ILE 45 1HD1 ILE 45 -6.603 3.700 -4.427 341 HD13 ILE 45 2HD1 ILE 45 -6.516 5.336 -3.805 342 H GLU 46 H GLU 46 -0.672 2.273 -4.355 343 HA GLU 46 HA GLU 46 -0.595 0.187 -6.495 344 HB2 GLU 46 1HB GLU 46 1.033 1.931 -6.995 345 HB3 GLU 46 2HB GLU 46 1.663 1.806 -5.346 346 HG2 GLU 46 1HG GLU 46 3.210 0.721 -6.790 347 HG3 GLU 46 2HG GLU 46 2.427 -0.479 -5.793 348 H ILE 47 H ILE 47 -0.801 -1.779 -5.586 349 HA ILE 47 HA ILE 47 0.196 -2.332 -2.833 350 HB ILE 47 HB ILE 47 -2.302 -3.481 -4.137 351 HG12 ILE 47 1HG1 ILE 47 -2.050 -1.200 -2.156 352 HG13 ILE 47 2HG1 ILE 47 -2.699 -1.139 -3.791 353 HG21 ILE 47 1HG2 ILE 47 -1.340 -3.624 -1.226 354 HG22 ILE 47 2HG2 ILE 47 -2.752 -4.430 -1.927 355 HG23 ILE 47 3HG2 ILE 47 -1.151 -4.929 -2.413 356 HD11 ILE 47 3HD1 ILE 47 -4.520 -1.090 -2.260 357 HD12 ILE 47 1HD1 ILE 47 -4.553 -2.649 -3.121 358 HD13 ILE 47 2HD1 ILE 47 -3.970 -2.557 -1.440 359 HA PRO 48 HA PRO 48 2.365 -5.083 -5.865 360 HB2 PRO 48 1HB PRO 48 4.499 -5.684 -4.170 361 HB3 PRO 48 2HB PRO 48 4.483 -4.349 -5.337 362 HG2 PRO 48 1HG PRO 48 4.041 -4.284 -2.386 363 HG3 PRO 48 2HG PRO 48 4.761 -3.041 -3.393 364 HD2 PRO 48 1HD PRO 48 2.181 -2.943 -2.413 365 HD3 PRO 48 2HD PRO 48 2.694 -2.096 -3.906 366 H ARG 49 H ARG 49 2.432 -7.359 -5.885 367 HA ARG 49 HA ARG 49 1.182 -8.671 -3.516 368 HB2 ARG 49 1HB ARG 49 1.025 -9.145 -6.497 369 HB3 ARG 49 2HB ARG 49 0.443 -10.343 -5.358 370 HG2 ARG 49 1HG ARG 49 -1.409 -9.187 -4.780 371 HG3 ARG 49 2HG ARG 49 -0.633 -7.604 -4.852 372 HD2 ARG 49 1HD ARG 49 -1.050 -7.282 -7.081 373 HD3 ARG 49 2HD ARG 49 -1.008 -9.022 -7.453 374 HE ARG 49 HE ARG 49 -3.247 -8.528 -5.809 375 HH11 ARG 49 1HH1 ARG 49 -2.232 -7.905 -9.151 376 HH12 ARG 49 2HH1 ARG 49 -3.801 -8.196 -9.807 377 HH21 ARG 49 1HH2 ARG 49 -5.230 -8.848 -6.604 378 HH22 ARG 49 2HH2 ARG 49 -5.616 -8.810 -8.312 379 HA PRO 50 HA PRO 50 4.756 -11.388 -3.181 380 HB2 PRO 50 1HB PRO 50 3.613 -13.636 -2.199 381 HB3 PRO 50 2HB PRO 50 3.743 -12.120 -1.262 382 HG2 PRO 50 1HG PRO 50 1.334 -13.129 -2.806 383 HG3 PRO 50 2HG PRO 50 1.397 -12.506 -1.125 384 HD2 PRO 50 1HD PRO 50 0.668 -10.964 -3.224 385 HD3 PRO 50 2HD PRO 50 1.603 -10.278 -1.865 386 H VAL 51 H VAL 51 5.566 -13.473 -3.896 387 HA VAL 51 HA VAL 51 4.230 -14.472 -6.391 388 HB VAL 51 HB VAL 51 7.239 -14.143 -6.158 389 HG11 VAL 51 1HG1 VAL 51 5.367 -14.620 -8.517 390 HG12 VAL 51 2HG1 VAL 51 7.146 -14.484 -8.602 391 HG13 VAL 51 3HG1 VAL 51 6.402 -15.847 -7.748 392 HG21 VAL 51 3HG2 VAL 51 5.286 -12.240 -7.520 393 HG22 VAL 51 1HG2 VAL 51 6.376 -11.859 -6.158 394 HG23 VAL 51 2HG2 VAL 51 7.056 -12.238 -7.742 395 H ASP 52 H ASP 52 3.760 -16.591 -6.106 396 HA ASP 52 HA ASP 52 3.693 -18.641 -5.348 397 HB2 ASP 52 1HB ASP 52 5.743 -18.476 -6.873 398 HB3 ASP 52 2HB ASP 52 6.709 -18.612 -5.405 399 H GLY 53 H GLY 53 3.694 -16.764 -3.237 400 HA2 GLY 53 1HA GLY 53 3.374 -17.071 -0.901 401 HA3 GLY 53 2HA GLY 53 4.390 -18.505 -0.935 402 H VAL 54 H VAL 54 6.223 -16.405 -2.649 403 HA VAL 54 HA VAL 54 7.968 -15.900 -0.366 404 HB VAL 54 HB VAL 54 8.396 -15.567 -3.348 405 HG11 VAL 54 1HG1 VAL 54 10.075 -14.351 -2.120 406 HG12 VAL 54 2HG1 VAL 54 10.396 -15.727 -1.076 407 HG13 VAL 54 3HG1 VAL 54 10.784 -15.782 -2.829 408 HG21 VAL 54 3HG2 VAL 54 7.890 -17.931 -2.958 409 HG22 VAL 54 1HG2 VAL 54 9.629 -17.813 -3.129 410 HG23 VAL 54 2HG2 VAL 54 8.921 -17.967 -1.513 411 H GLU 55 H GLU 55 8.620 -13.941 0.280 412 HA GLU 55 HA GLU 55 7.128 -11.596 -0.097 413 HB2 GLU 55 1HB GLU 55 8.748 -10.652 1.393 414 HB3 GLU 55 2HB GLU 55 8.469 -12.304 1.903 415 HG2 GLU 55 1HG GLU 55 10.520 -12.878 0.340 416 HG3 GLU 55 2HG GLU 55 10.825 -11.145 0.415 417 H VAL 56 H VAL 56 7.515 -9.766 -1.228 418 HA VAL 56 HA VAL 56 9.730 -9.625 -3.127 419 HB VAL 56 HB VAL 56 8.444 -8.794 -4.473 420 HG11 VAL 56 1HG1 VAL 56 6.079 -9.615 -2.931 421 HG12 VAL 56 2HG1 VAL 56 6.236 -9.480 -4.697 422 HG13 VAL 56 3HG1 VAL 56 7.152 -10.718 -3.841 423 HG21 VAL 56 3HG2 VAL 56 8.070 -6.560 -3.453 424 HG22 VAL 56 1HG2 VAL 56 7.083 -7.102 -4.773 425 HG23 VAL 56 2HG2 VAL 56 6.404 -7.137 -3.147 426 HA PRO 57 HA PRO 57 11.403 -6.008 -1.041 427 HB2 PRO 57 1HB PRO 57 12.695 -4.751 -3.056 428 HB3 PRO 57 2HB PRO 57 13.320 -6.265 -2.341 429 HG2 PRO 57 1HG PRO 57 11.676 -5.936 -4.873 430 HG3 PRO 57 2HG PRO 57 13.166 -6.900 -4.615 431 HD2 PRO 57 1HD PRO 57 10.625 -7.978 -4.518 432 HD3 PRO 57 2HD PRO 57 11.977 -8.609 -3.518 433 H GLY 58 H GLY 58 9.559 -5.081 -0.518 434 HA2 GLY 58 1HA GLY 58 8.505 -2.775 -0.863 435 HA3 GLY 58 2HA GLY 58 8.129 -3.297 -2.461 436 H CYS 59 H CYS 59 7.812 -6.141 -0.895 437 HA CYS 59 HA CYS 59 4.944 -5.918 -1.006 438 HB2 CYS 59 1HB CYS 59 6.675 -8.038 -1.376 439 HB3 CYS 59 2HB CYS 59 6.260 -8.281 0.334 440 HG CYS 59 HG CYS 59 4.576 -9.746 -0.627 441 H GLY 60 H GLY 60 3.472 -6.005 0.566 442 HA2 GLY 60 1HA GLY 60 2.655 -6.169 2.799 443 HA3 GLY 60 2HA GLY 60 4.229 -5.597 3.411 444 H LYS 61 H LYS 61 4.503 -3.516 1.292 445 HA LYS 61 HA LYS 61 3.086 -1.481 2.881 446 HB2 LYS 61 1HB LYS 61 5.112 -1.018 0.680 447 HB3 LYS 61 2HB LYS 61 4.561 0.074 1.960 448 HG2 LYS 61 1HG LYS 61 6.552 -0.455 2.809 449 HG3 LYS 61 2HG LYS 61 5.600 -1.696 3.595 450 HD2 LYS 61 1HD LYS 61 6.380 -3.328 1.861 451 HD3 LYS 61 2HD LYS 61 7.269 -2.038 1.044 452 HE2 LYS 61 1HE LYS 61 8.726 -1.671 2.888 453 HE3 LYS 61 2HE LYS 61 7.742 -2.674 3.966 454 HZ1 LYS 61 3HZ LYS 61 9.693 -3.845 3.308 455 HZ2 LYS 61 1HZ LYS 61 9.443 -3.636 1.745 456 HZ3 LYS 61 2HZ LYS 61 8.429 -4.630 2.633 457 H ILE 62 H ILE 62 2.187 0.488 1.628 458 HA ILE 62 HA ILE 62 0.984 -0.142 -0.991 459 HB ILE 62 HB ILE 62 -0.517 0.765 1.503 460 HG12 ILE 62 1HG1 ILE 62 -0.678 -1.629 -0.363 461 HG13 ILE 62 2HG1 ILE 62 -0.330 -1.634 1.364 462 HG21 ILE 62 1HG2 ILE 62 -1.171 2.233 -0.361 463 HG22 ILE 62 2HG2 ILE 62 -1.418 0.829 -1.411 464 HG23 ILE 62 3HG2 ILE 62 -2.473 1.124 -0.004 465 HD11 ILE 62 3HD1 ILE 62 -2.552 -2.475 1.026 466 HD12 ILE 62 1HD1 ILE 62 -2.665 -0.879 1.806 467 HD13 ILE 62 2HD1 ILE 62 -3.019 -1.054 0.086 468 H PHE 63 H PHE 63 1.318 1.626 -2.308 469 HA PHE 63 HA PHE 63 2.364 4.184 -1.143 470 HB2 PHE 63 1HB PHE 63 2.481 3.286 -4.000 471 HB3 PHE 63 2HB PHE 63 3.324 4.626 -3.258 472 HD1 PHE 63 1HD PHE 63 3.243 0.935 -3.714 473 HD2 PHE 63 2HD PHE 63 5.375 4.235 -1.955 474 HE1 PHE 63 1HE PHE 63 5.142 -0.569 -3.208 475 HE2 PHE 63 2HE PHE 63 7.310 2.701 -1.438 476 HZ PHE 63 HZ PHE 63 7.187 0.320 -2.103 477 H VAL 64 H VAL 64 1.346 6.143 -2.044 478 HA VAL 64 HA VAL 64 -1.189 5.848 -3.485 479 HB VAL 64 HB VAL 64 -1.653 5.592 -1.043 480 HG11 VAL 64 1HG1 VAL 64 -1.453 7.568 0.460 481 HG12 VAL 64 2HG1 VAL 64 0.113 6.929 -0.089 482 HG13 VAL 64 3HG1 VAL 64 -0.546 8.408 -0.797 483 HG21 VAL 64 3HG2 VAL 64 -3.468 7.052 -0.747 484 HG22 VAL 64 1HG2 VAL 64 -2.826 8.253 -1.908 485 HG23 VAL 64 2HG2 VAL 64 -3.412 6.669 -2.463 486 H GLU 65 H GLU 65 -1.630 7.800 -4.670 487 HA GLU 65 HA GLU 65 0.571 9.815 -4.692 488 HB2 GLU 65 1HB GLU 65 0.273 8.033 -6.626 489 HB3 GLU 65 2HB GLU 65 -1.073 8.993 -7.104 490 HG2 GLU 65 1HG GLU 65 0.700 11.004 -7.017 491 HG3 GLU 65 2HG GLU 65 1.837 9.746 -6.905 492 H PHE 66 H PHE 66 -0.076 12.007 -4.979 493 HA PHE 66 HA PHE 66 -3.003 12.543 -5.022 494 HB2 PHE 66 1HB PHE 66 -0.872 14.043 -3.450 495 HB3 PHE 66 2HB PHE 66 -2.576 14.471 -3.541 496 HD1 PHE 66 2HD PHE 66 -0.119 12.102 -2.144 497 HD2 PHE 66 1HD PHE 66 -4.300 13.180 -2.324 498 HE1 PHE 66 2HE PHE 66 -0.577 10.677 -0.189 499 HE2 PHE 66 1HE PHE 66 -4.740 11.776 -0.326 500 HZ PHE 66 HZ PHE 66 -2.847 10.511 0.735 501 H THR 67 H THR 67 -3.482 14.834 -5.732 502 HA THR 67 HA THR 67 -2.106 15.388 -8.191 503 HB THR 67 HB THR 67 -3.751 17.353 -8.175 504 HG1 THR 67 1HG THR 67 -4.212 17.683 -6.080 505 HG21 THR 67 3HG2 THR 67 -4.840 14.539 -7.738 506 HG22 THR 67 1HG2 THR 67 -4.383 15.278 -9.290 507 HG23 THR 67 2HG2 THR 67 -5.774 15.900 -8.366 508 H SER 68 H SER 68 -1.450 16.459 -4.897 509 HA SER 68 HA SER 68 0.724 18.052 -5.850 510 HB2 SER 68 1HB SER 68 -1.674 19.413 -4.577 511 HB3 SER 68 2HB SER 68 -0.044 20.112 -4.498 512 HG SER 68 HG SER 68 -1.001 19.275 -6.977 513 H VAL 69 H VAL 69 2.170 18.681 -4.139 514 HA VAL 69 HA VAL 69 2.485 17.018 -1.906 515 HB VAL 69 HB VAL 69 3.322 19.954 -2.083 516 HG11 VAL 69 1HG1 VAL 69 4.612 17.591 -0.645 517 HG12 VAL 69 2HG1 VAL 69 5.177 19.278 -0.608 518 HG13 VAL 69 3HG1 VAL 69 3.615 18.811 0.129 519 HG21 VAL 69 3HG2 VAL 69 5.506 19.193 -2.944 520 HG22 VAL 69 1HG2 VAL 69 4.912 17.532 -3.064 521 HG23 VAL 69 2HG2 VAL 69 4.233 18.804 -4.094 522 H PHE 70 H PHE 70 0.685 20.058 -2.263 523 HA PHE 70 HA PHE 70 0.085 20.699 0.393 524 HB2 PHE 70 1HB PHE 70 -1.348 21.044 -2.254 525 HB3 PHE 70 2HB PHE 70 -2.225 21.415 -0.782 526 HD1 PHE 70 2HD PHE 70 0.709 22.422 -2.854 527 HD2 PHE 70 1HD PHE 70 -1.668 23.248 0.654 528 HE1 PHE 70 2HE PHE 70 1.788 24.615 -2.625 529 HE2 PHE 70 1HE PHE 70 -0.660 25.510 0.799 530 HZ PHE 70 HZ PHE 70 1.034 26.206 -0.826 531 H ASP 71 H ASP 71 -1.786 18.512 -1.759 532 HA ASP 71 HA ASP 71 -3.843 17.998 0.196 533 HB2 ASP 71 1HB ASP 71 -3.057 16.768 -2.463 534 HB3 ASP 71 2HB ASP 71 -4.312 16.067 -1.459 535 H CYS 72 H CYS 72 -0.919 16.286 -0.908 536 HA CYS 72 HA CYS 72 -1.194 14.036 0.744 537 HB2 CYS 72 1HB CYS 72 0.463 14.404 -1.185 538 HB3 CYS 72 2HB CYS 72 1.462 15.339 -0.053 539 HG CYS 72 HG CYS 72 1.621 13.401 1.753 540 H GLN 73 H GLN 73 0.303 17.230 1.429 541 HA GLN 73 HA GLN 73 1.317 16.614 3.991 542 HB2 GLN 73 1HB GLN 73 0.712 19.125 2.434 543 HB3 GLN 73 2HB GLN 73 0.920 19.279 4.155 544 HG2 GLN 73 1HG GLN 73 3.120 18.067 3.965 545 HG3 GLN 73 2HG GLN 73 2.947 18.122 2.211 546 HE21 GLN 73 1HE2 GLN 73 4.156 19.904 1.350 547 HE22 GLN 73 2HE2 GLN 73 4.328 21.434 2.183 548 H LYS 74 H LYS 74 -2.059 17.163 3.070 549 HA LYS 74 HA LYS 74 -2.826 17.577 5.880 550 HB2 LYS 74 1HB LYS 74 -4.830 17.153 3.677 551 HB3 LYS 74 2HB LYS 74 -4.881 18.176 5.107 552 HG2 LYS 74 1HG LYS 74 -2.951 19.507 3.797 553 HG3 LYS 74 2HG LYS 74 -3.694 18.653 2.425 554 HD2 LYS 74 1HD LYS 74 -5.893 19.761 3.120 555 HD3 LYS 74 2HD LYS 74 -4.923 20.754 4.227 556 HE2 LYS 74 1HE LYS 74 -3.433 21.382 2.284 557 HE3 LYS 74 2HE LYS 74 -4.488 20.464 1.209 558 HZ1 LYS 74 3HZ LYS 74 -5.340 22.839 2.761 559 HZ2 LYS 74 1HZ LYS 74 -6.258 22.012 1.666 560 HZ3 LYS 74 2HZ LYS 74 -4.938 22.845 1.178 561 H ALA 75 H ALA 75 -3.118 15.214 3.220 562 HA ALA 75 HA ALA 75 -4.580 13.254 4.691 563 HB1 ALA 75 1HB ALA 75 -4.376 13.495 2.139 564 HB2 ALA 75 2HB ALA 75 -2.743 12.814 2.287 565 HB3 ALA 75 3HB ALA 75 -4.156 11.854 2.764 566 H MET 76 H MET 76 -1.181 14.026 4.697 567 HA MET 76 HA MET 76 -0.109 11.654 5.809 568 HB2 MET 76 1HB MET 76 1.375 13.298 5.025 569 HB3 MET 76 2HB MET 76 0.587 14.603 5.903 570 HG2 MET 76 1HG MET 76 2.792 14.060 6.825 571 HG3 MET 76 2HG MET 76 1.509 13.880 7.998 572 HE1 MET 76 3HE MET 76 4.684 12.195 6.594 573 HE2 MET 76 1HE MET 76 4.082 10.595 6.131 574 HE3 MET 76 2HE MET 76 3.474 12.075 5.325 575 H GLN 77 H GLN 77 -0.699 14.595 7.800 576 HA GLN 77 HA GLN 77 -0.610 12.852 10.067 577 HB2 GLN 77 1HB GLN 77 -1.450 15.764 10.086 578 HB3 GLN 77 2HB GLN 77 -1.053 14.761 11.465 579 HG2 GLN 77 1HG GLN 77 1.258 14.420 10.376 580 HG3 GLN 77 2HG GLN 77 0.820 15.759 9.296 581 HE21 GLN 77 1HE2 GLN 77 2.995 16.418 10.621 582 HE22 GLN 77 2HE2 GLN 77 2.673 17.289 12.113 583 H GLY 78 H GLY 78 -3.348 13.964 8.174 584 HA2 GLY 78 1HA GLY 78 -5.402 13.705 10.098 585 HA3 GLY 78 2HA GLY 78 -5.562 13.538 8.356 586 H LEU 79 H LEU 79 -3.571 11.301 8.295 587 HA LEU 79 HA LEU 79 -5.439 9.136 9.092 588 HB2 LEU 79 1HB LEU 79 -3.513 9.393 6.778 589 HB3 LEU 79 2HB LEU 79 -4.457 7.934 7.125 590 HG LEU 79 HG LEU 79 -5.598 10.683 6.390 591 HD11 LEU 79 1HD1 LEU 79 -5.678 10.101 4.240 592 HD12 LEU 79 2HD1 LEU 79 -6.136 8.422 4.578 593 HD13 LEU 79 3HD1 LEU 79 -4.446 8.855 4.671 594 HD21 LEU 79 3HD2 LEU 79 -7.003 8.034 6.936 595 HD22 LEU 79 1HD2 LEU 79 -7.748 9.365 6.069 596 HD23 LEU 79 2HD2 LEU 79 -7.256 9.617 7.739 597 H THR 80 H THR 80 -2.390 10.425 9.947 598 HA THR 80 HA THR 80 -0.943 8.091 10.563 599 HB THR 80 HB THR 80 -1.127 10.738 12.063 600 HG1 THR 80 1HG THR 80 0.959 10.927 10.809 601 HG21 THR 80 3HG2 THR 80 -0.065 8.899 13.405 602 HG22 THR 80 1HG2 THR 80 1.063 10.158 12.978 603 HG23 THR 80 2HG2 THR 80 1.074 8.634 12.063 604 H GLY 81 H GLY 81 -1.985 6.351 11.489 605 HA2 GLY 81 1HA GLY 81 -2.474 5.245 13.531 606 HA3 GLY 81 2HA GLY 81 -3.137 6.719 14.215 607 H ARG 82 H ARG 82 -4.348 6.490 11.056 608 HA ARG 82 HA ARG 82 -6.961 5.475 11.855 609 HB2 ARG 82 1HB ARG 82 -5.640 6.435 9.321 610 HB3 ARG 82 2HB ARG 82 -7.040 5.446 9.142 611 HG2 ARG 82 1HG ARG 82 -7.121 7.804 11.038 612 HG3 ARG 82 2HG ARG 82 -7.330 8.035 9.311 613 HD2 ARG 82 1HD ARG 82 -9.039 6.042 10.832 614 HD3 ARG 82 2HD ARG 82 -9.456 7.769 10.729 615 HE ARG 82 HE ARG 82 -8.932 6.731 8.109 616 HH11 ARG 82 1HH1 ARG 82 -11.449 6.167 10.603 617 HH12 ARG 82 2HH1 ARG 82 -12.582 5.696 9.353 618 HH21 ARG 82 1HH2 ARG 82 -10.450 6.163 6.709 619 HH22 ARG 82 2HH2 ARG 82 -12.105 5.828 7.170 620 H LYS 83 H LYS 83 -7.780 3.671 10.021 621 HA LYS 83 HA LYS 83 -6.148 1.307 10.624 622 HB2 LYS 83 1HB LYS 83 -9.078 1.758 11.348 623 HB3 LYS 83 2HB LYS 83 -8.247 0.206 11.415 624 HG2 LYS 83 1HG LYS 83 -6.665 1.133 13.084 625 HG3 LYS 83 2HG LYS 83 -7.553 2.672 13.080 626 HD2 LYS 83 1HD LYS 83 -9.595 1.594 13.819 627 HD3 LYS 83 2HD LYS 83 -8.858 -0.005 13.701 628 HE2 LYS 83 1HE LYS 83 -7.146 0.788 15.436 629 HE3 LYS 83 2HE LYS 83 -8.192 2.203 15.674 630 HZ1 LYS 83 3HZ LYS 83 -10.010 0.538 16.087 631 HZ2 LYS 83 1HZ LYS 83 -8.810 0.503 17.248 632 HZ3 LYS 83 2HZ LYS 83 -8.893 -0.645 16.073 633 H PHE 84 H PHE 84 -5.741 1.038 8.346 634 HA PHE 84 HA PHE 84 -7.924 1.442 6.388 635 HB2 PHE 84 1HB PHE 84 -4.948 0.914 6.183 636 HB3 PHE 84 2HB PHE 84 -6.014 0.831 4.797 637 HD1 PHE 84 2HD PHE 84 -6.409 3.598 7.329 638 HD2 PHE 84 1HD PHE 84 -4.823 2.392 3.499 639 HE1 PHE 84 2HE PHE 84 -5.881 5.933 6.794 640 HE2 PHE 84 1HE PHE 84 -4.375 4.764 2.931 641 HZ PHE 84 HZ PHE 84 -4.871 6.534 4.589 642 H ALA 85 H ALA 85 -8.401 -0.517 8.211 643 HA ALA 85 HA ALA 85 -9.594 -2.511 7.048 644 HB1 ALA 85 1HB ALA 85 -7.493 -3.648 6.354 645 HB2 ALA 85 2HB ALA 85 -6.959 -3.734 8.021 646 HB3 ALA 85 3HB ALA 85 -8.427 -4.604 7.507 647 H ASN 86 H ASN 86 -7.276 -2.750 9.649 648 HA ASN 86 HA ASN 86 -9.191 -2.138 11.813 649 HB2 ASN 86 1HB ASN 86 -8.725 -4.862 11.026 650 HB3 ASN 86 2HB ASN 86 -7.872 -4.633 12.545 651 HD21 ASN 86 1HD2 ASN 86 -10.729 -5.658 11.338 652 HD22 ASN 86 2HD2 ASN 86 -11.805 -5.229 12.660 653 H ARG 87 H ARG 87 -5.833 -2.785 10.675 654 HA ARG 87 HA ARG 87 -4.812 -2.534 13.417 655 HB2 ARG 87 1HB ARG 87 -3.169 -2.877 10.886 656 HB3 ARG 87 2HB ARG 87 -2.688 -3.214 12.560 657 HG2 ARG 87 1HG ARG 87 -4.417 -5.019 12.673 658 HG3 ARG 87 2HG ARG 87 -4.845 -4.657 11.012 659 HD2 ARG 87 1HD ARG 87 -3.438 -6.522 10.828 660 HD3 ARG 87 2HD ARG 87 -2.416 -5.159 10.367 661 HE ARG 87 HE ARG 87 -1.068 -5.602 12.156 662 HH11 ARG 87 1HH1 ARG 87 -4.189 -7.296 12.693 663 HH12 ARG 87 2HH1 ARG 87 -3.534 -8.245 13.990 664 HH21 ARG 87 1HH2 ARG 87 -0.424 -6.617 14.139 665 HH22 ARG 87 2HH2 ARG 87 -1.419 -7.814 14.846 666 H VAL 88 H VAL 88 -2.822 -1.186 13.635 667 HA VAL 88 HA VAL 88 -3.667 1.570 13.080 668 HB VAL 88 HB VAL 88 -2.507 0.917 15.190 669 HG11 VAL 88 1HG1 VAL 88 0.006 0.746 13.534 670 HG12 VAL 88 2HG1 VAL 88 -0.121 0.606 15.280 671 HG13 VAL 88 3HG1 VAL 88 -0.843 -0.642 14.248 672 HG21 VAL 88 3HG2 VAL 88 -1.068 3.059 13.584 673 HG22 VAL 88 1HG2 VAL 88 -2.554 3.273 14.555 674 HG23 VAL 88 2HG2 VAL 88 -1.002 2.876 15.325 675 H VAL 89 H VAL 89 -3.001 2.915 11.434 676 HA VAL 89 HA VAL 89 -0.992 1.844 9.556 677 HB VAL 89 HB VAL 89 -3.070 4.054 9.424 678 HG11 VAL 89 1HG1 VAL 89 -0.955 3.289 7.358 679 HG12 VAL 89 2HG1 VAL 89 -2.415 4.246 7.003 680 HG13 VAL 89 3HG1 VAL 89 -1.201 4.875 8.118 681 HG21 VAL 89 3HG2 VAL 89 -4.039 1.880 9.197 682 HG22 VAL 89 1HG2 VAL 89 -3.883 2.500 7.551 683 HG23 VAL 89 2HG2 VAL 89 -2.735 1.288 8.164 684 H VAL 90 H VAL 90 0.963 2.649 9.373 685 HA VAL 90 HA VAL 90 1.664 5.248 10.617 686 HB VAL 90 HB VAL 90 4.095 4.164 10.223 687 HG11 VAL 90 1HG1 VAL 90 3.367 5.215 12.266 688 HG12 VAL 90 2HG1 VAL 90 2.321 3.840 12.676 689 HG13 VAL 90 3HG1 VAL 90 4.089 3.660 12.672 690 HG21 VAL 90 3HG2 VAL 90 4.264 1.882 10.907 691 HG22 VAL 90 1HG2 VAL 90 2.539 1.781 11.308 692 HG23 VAL 90 2HG2 VAL 90 3.035 1.900 9.623 693 H THR 91 H THR 91 2.001 6.781 9.245 694 HA THR 91 HA THR 91 1.903 6.443 6.367 695 HB THR 91 HB THR 91 1.980 9.079 6.876 696 HG1 THR 91 1HG THR 91 1.105 9.478 9.014 697 HG21 THR 91 3HG2 THR 91 -0.434 9.095 7.286 698 HG22 THR 91 1HG2 THR 91 -0.405 7.392 7.756 699 HG23 THR 91 2HG2 THR 91 -0.027 7.900 6.059 700 H LYS 92 H LYS 92 3.625 7.339 5.043 701 HA LYS 92 HA LYS 92 6.040 8.581 6.215 702 HB2 LYS 92 1HB LYS 92 5.945 5.968 4.626 703 HB3 LYS 92 2HB LYS 92 7.295 7.084 4.446 704 HG2 LYS 92 1HG LYS 92 7.763 6.975 6.856 705 HG3 LYS 92 2HG LYS 92 6.478 5.781 7.050 706 HD2 LYS 92 1HD LYS 92 7.607 4.192 5.587 707 HD3 LYS 92 2HD LYS 92 8.743 5.452 5.073 708 HE2 LYS 92 1HE LYS 92 9.490 5.608 7.513 709 HE3 LYS 92 2HE LYS 92 8.641 4.074 7.779 710 HZ1 LYS 92 3HZ LYS 92 10.073 3.050 6.157 711 HZ2 LYS 92 1HZ LYS 92 11.031 3.866 7.202 712 HZ3 LYS 92 2HZ LYS 92 10.717 4.494 5.703 713 H TYR 93 H TYR 93 6.738 10.213 4.756 714 HA TYR 93 HA TYR 93 5.483 10.490 2.106 715 HB2 TYR 93 1HB TYR 93 7.982 11.776 3.309 716 HB3 TYR 93 2HB TYR 93 7.371 12.087 1.694 717 HD1 TYR 93 1HD TYR 93 4.761 12.721 1.546 718 HD2 TYR 93 2HD TYR 93 7.317 13.310 4.987 719 HE1 TYR 93 1HE TYR 93 3.173 14.391 2.444 720 HE2 TYR 93 2HE TYR 93 5.713 14.979 5.881 721 HH TYR 93 HH TYR 93 3.784 16.223 5.456 722 H CYS 94 H CYS 94 6.123 9.490 0.263 723 HA CYS 94 HA CYS 94 8.461 7.662 0.353 724 HB2 CYS 94 1HB CYS 94 5.723 7.274 -0.441 725 HB3 CYS 94 2HB CYS 94 6.626 7.338 -1.940 726 HG CYS 94 HG CYS 94 8.146 5.440 -1.589 727 H ASP 95 H ASP 95 9.488 7.569 -2.056 728 HA ASP 95 HA ASP 95 9.680 10.390 -3.014 729 HB2 ASP 95 1HB ASP 95 11.399 7.959 -3.586 730 HB3 ASP 95 2HB ASP 95 11.404 9.398 -4.595 731 HA PRO 96 HA PRO 96 6.982 8.945 -6.301 732 HB2 PRO 96 1HB PRO 96 7.202 11.002 -8.083 733 HB3 PRO 96 2HB PRO 96 6.316 11.123 -6.545 734 HG2 PRO 96 1HG PRO 96 9.105 12.043 -7.142 735 HG3 PRO 96 2HG PRO 96 7.854 12.905 -6.253 736 HD2 PRO 96 1HD PRO 96 9.858 11.502 -5.042 737 HD3 PRO 96 2HD PRO 96 8.225 11.641 -4.325 738 H ASP 97 H ASP 97 10.384 9.824 -6.920 739 HA ASP 97 HA ASP 97 10.467 9.250 -9.658 740 HB2 ASP 97 1HB ASP 97 12.400 10.028 -7.874 741 HB3 ASP 97 2HB ASP 97 12.929 8.374 -8.217 742 H SER 98 H SER 98 11.540 7.027 -7.047 743 HA SER 98 HA SER 98 11.752 4.823 -8.783 744 HB2 SER 98 1HB SER 98 11.471 5.043 -5.767 745 HB3 SER 98 2HB SER 98 11.686 3.497 -6.565 746 HG SER 98 HG SER 98 13.707 3.948 -7.044 747 H TYR 99 H TYR 99 8.986 6.257 -7.018 748 HA TYR 99 HA TYR 99 7.273 3.974 -7.047 749 HB2 TYR 99 1HB TYR 99 6.944 5.786 -5.471 750 HB3 TYR 99 2HB TYR 99 6.856 6.950 -6.769 751 HD1 TYR 99 1HD TYR 99 5.064 3.710 -6.074 752 HD2 TYR 99 2HD TYR 99 4.715 7.927 -7.120 753 HE1 TYR 99 1HE TYR 99 2.609 3.521 -6.227 754 HE2 TYR 99 2HE TYR 99 2.390 7.733 -7.069 755 HH TYR 99 HH TYR 99 0.505 6.321 -6.950 756 H HIS 100 H HIS 100 7.878 6.566 -9.418 757 HA HIS 100 HA HIS 100 5.744 5.916 -11.216 758 HB2 HIS 100 1HB HIS 100 8.518 7.131 -11.644 759 HB3 HIS 100 2HB HIS 100 7.270 7.048 -12.877 760 HD1 HIS 100 1HD HIS 100 8.537 9.725 -10.993 761 HD2 HIS 100 2HD HIS 100 4.693 7.972 -11.279 762 HE1 HIS 100 1HE HIS 100 6.856 11.542 -10.453 763 H ARG 101 H ARG 101 8.153 3.828 -10.209 764 HA ARG 101 HA ARG 101 8.083 2.207 -12.669 765 HB2 ARG 101 1HB ARG 101 10.618 2.775 -11.032 766 HB3 ARG 101 2HB ARG 101 10.468 1.815 -12.515 767 HG2 ARG 101 1HG ARG 101 9.638 4.016 -13.623 768 HG3 ARG 101 2HG ARG 101 10.320 4.828 -12.195 769 HD2 ARG 101 1HD ARG 101 12.517 3.815 -12.695 770 HD3 ARG 101 2HD ARG 101 11.804 2.925 -14.033 771 HE ARG 101 HE ARG 101 11.730 5.895 -13.943 772 HH11 ARG 101 1HH1 ARG 101 12.904 2.982 -15.523 773 HH12 ARG 101 2HH1 ARG 101 13.498 3.798 -16.959 774 HH21 ARG 101 1HH2 ARG 101 12.492 6.994 -15.757 775 HH22 ARG 101 2HH2 ARG 101 13.069 6.151 -17.160 776 H ARG 102 H ARG 102 9.233 -0.004 -11.966 777 HA ARG 102 HA ARG 102 7.873 -0.946 -9.595 778 HB2 ARG 102 1HB ARG 102 8.152 -2.130 -11.872 779 HB3 ARG 102 2HB ARG 102 9.777 -2.546 -11.321 780 HG2 ARG 102 1HG ARG 102 8.851 -4.374 -10.374 781 HG3 ARG 102 2HG ARG 102 8.236 -3.316 -9.152 782 HD2 ARG 102 1HD ARG 102 6.286 -2.827 -10.796 783 HD3 ARG 102 2HD ARG 102 6.826 -4.288 -11.655 784 HE ARG 102 HE ARG 102 5.358 -4.121 -9.121 785 HH11 ARG 102 1HH1 ARG 102 7.649 -6.212 -10.913 786 HH12 ARG 102 2HH1 ARG 102 7.163 -7.642 -10.075 787 HH21 ARG 102 1HH2 ARG 102 4.688 -5.991 -8.114 788 HH22 ARG 102 2HH2 ARG 102 5.467 -7.510 -8.404 789 H ASP 103 H ASP 103 10.136 1.027 -9.112 790 HA ASP 103 HA ASP 103 12.425 -0.665 -8.342 791 HB2 ASP 103 1HB ASP 103 12.780 1.378 -9.639 792 HB3 ASP 103 2HB ASP 103 12.125 2.345 -8.349 793 H PHE 104 H PHE 104 10.404 -1.440 -6.715 794 HA PHE 104 HA PHE 104 10.264 0.232 -4.307 795 HB2 PHE 104 1HB PHE 104 9.202 -2.574 -4.556 796 HB3 PHE 104 2HB PHE 104 8.646 -1.280 -3.494 797 HD1 PHE 104 1HD PHE 104 7.647 0.820 -4.804 798 HD2 PHE 104 2HD PHE 104 7.921 -3.166 -6.372 799 HE1 PHE 104 1HE PHE 104 6.163 1.485 -6.709 800 HE2 PHE 104 2HE PHE 104 6.417 -2.513 -8.244 801 HZ PHE 104 HZ PHE 104 5.650 -0.211 -8.505 802 H TRP 105 H TRP 105 11.479 -0.103 -2.481 803 HA TRP 105 HA TRP 105 12.571 -2.625 -1.745 804 HB2 TRP 105 1HB TRP 105 14.250 -1.137 -3.436 805 HB3 TRP 105 2HB TRP 105 14.801 -0.676 -1.841 806 HD1 TRP 105 HD TRP 105 14.779 -3.283 -0.244 807 HE1 TRP 105 1HE TRP 105 16.309 -5.245 -0.814 808 HE3 TRP 105 3HE TRP 105 15.612 -2.184 -5.154 809 HZ2 TRP 105 2HZ TRP 105 17.832 -6.158 -3.141 810 HZ3 TRP 105 3HZ TRP 105 17.154 -3.557 -6.516 811 HH2 TRP 105 HH TRP 105 18.280 -5.541 -5.512 Start of MODEL 5 1 H1 GLY 1 H GLY 1 15.980 11.607 6.122 2 HA2 GLY 1 1HA GLY 1 13.327 10.297 5.894 3 HA3 GLY 1 2HA GLY 1 13.522 11.978 6.419 4 H GLY 2 H GLY 2 13.171 13.429 4.824 5 HA2 GLY 2 1HA GLY 2 14.576 13.798 2.528 6 HA3 GLY 2 2HA GLY 2 13.238 12.725 2.045 7 H HIS 3 H HIS 3 13.035 14.925 0.839 8 HA HIS 3 HA HIS 3 11.622 17.109 2.140 9 HB2 HIS 3 1HB HIS 3 11.314 17.869 -0.163 10 HB3 HIS 3 2HB HIS 3 12.983 17.446 0.127 11 HD1 HIS 3 1HD HIS 3 13.777 14.957 -1.070 12 HD2 HIS 3 2HD HIS 3 10.197 16.836 -2.276 13 HE1 HIS 3 1HE HIS 3 13.147 13.936 -3.282 14 HA PRO 4 HA PRO 4 7.550 15.164 1.817 15 HB2 PRO 4 1HB PRO 4 5.903 17.298 1.353 16 HB3 PRO 4 2HB PRO 4 6.675 17.031 2.930 17 HG2 PRO 4 1HG PRO 4 7.630 18.849 0.711 18 HG3 PRO 4 2HG PRO 4 7.436 19.232 2.438 19 HD2 PRO 4 1HD PRO 4 9.834 18.539 1.363 20 HD3 PRO 4 2HD PRO 4 9.382 18.005 3.005 21 H THR 5 H THR 5 6.394 14.271 0.078 22 HA THR 5 HA THR 5 7.004 15.297 -2.632 23 HB THR 5 HB THR 5 7.019 12.884 -3.295 24 HG1 THR 5 1HG THR 5 7.645 11.572 -1.309 25 HG21 THR 5 3HG2 THR 5 9.134 13.599 -1.202 26 HG22 THR 5 1HG2 THR 5 9.141 14.104 -2.904 27 HG23 THR 5 2HG2 THR 5 9.283 12.389 -2.488 28 H GLU 6 H GLU 6 5.421 14.275 -4.280 29 HA GLU 6 HA GLU 6 2.749 15.027 -3.547 30 HB2 GLU 6 1HB GLU 6 3.752 13.466 -5.942 31 HB3 GLU 6 2HB GLU 6 2.190 14.266 -5.824 32 HG2 GLU 6 1HG GLU 6 4.646 15.996 -5.553 33 HG3 GLU 6 2HG GLU 6 4.307 15.299 -7.115 34 H VAL 7 H VAL 7 4.388 12.063 -2.847 35 HA VAL 7 HA VAL 7 1.928 10.490 -3.151 36 HB VAL 7 HB VAL 7 3.256 8.536 -3.218 37 HG11 VAL 7 1HG1 VAL 7 4.917 10.523 -4.803 38 HG12 VAL 7 2HG1 VAL 7 4.490 8.847 -5.221 39 HG13 VAL 7 3HG1 VAL 7 3.263 10.106 -5.272 40 HG21 VAL 7 3HG2 VAL 7 5.565 8.376 -3.126 41 HG22 VAL 7 1HG2 VAL 7 5.717 10.034 -2.463 42 HG23 VAL 7 2HG2 VAL 7 4.825 8.747 -1.569 43 H LEU 8 H LEU 8 1.931 8.525 -1.399 44 HA LEU 8 HA LEU 8 3.062 9.329 1.163 45 HB2 LEU 8 1HB LEU 8 0.466 10.015 0.897 46 HB3 LEU 8 2HB LEU 8 0.216 8.295 1.099 47 HG LEU 8 HG LEU 8 1.319 8.342 3.314 48 HD11 LEU 8 1HD1 LEU 8 1.625 11.347 2.816 49 HD12 LEU 8 2HD1 LEU 8 2.941 10.177 3.071 50 HD13 LEU 8 3HD1 LEU 8 1.835 10.525 4.394 51 HD21 LEU 8 3HD2 LEU 8 -0.387 9.637 4.518 52 HD22 LEU 8 1HD2 LEU 8 -1.109 8.812 3.147 53 HD23 LEU 8 2HD2 LEU 8 -0.777 10.551 3.036 54 H CYS 9 H CYS 9 3.396 7.376 2.578 55 HA CYS 9 HA CYS 9 2.794 4.785 1.289 56 HB2 CYS 9 1HB CYS 9 5.135 5.309 0.758 57 HB3 CYS 9 2HB CYS 9 5.481 5.676 2.470 58 HG CYS 9 HG CYS 9 4.512 2.799 1.120 59 H LEU 10 H LEU 10 2.248 3.190 2.647 60 HA LEU 10 HA LEU 10 1.831 3.842 5.493 61 HB2 LEU 10 1HB LEU 10 0.142 2.176 3.600 62 HB3 LEU 10 2HB LEU 10 -0.283 2.742 5.200 63 HG LEU 10 HG LEU 10 -1.498 3.892 3.608 64 HD11 LEU 10 1HD1 LEU 10 -0.810 5.231 5.533 65 HD12 LEU 10 2HD1 LEU 10 -1.098 6.240 4.093 66 HD13 LEU 10 3HD1 LEU 10 0.560 5.857 4.586 67 HD21 LEU 10 3HD2 LEU 10 0.633 5.259 2.097 68 HD22 LEU 10 1HD2 LEU 10 -1.068 4.999 1.744 69 HD23 LEU 10 2HD2 LEU 10 0.047 3.636 1.643 70 H MET 11 H MET 11 1.872 2.031 6.913 71 HA MET 11 HA MET 11 2.804 -0.605 5.855 72 HB2 MET 11 1HB MET 11 3.832 0.968 8.243 73 HB3 MET 11 2HB MET 11 4.195 -0.732 7.990 74 HG2 MET 11 1HG MET 11 5.484 -0.331 6.065 75 HG3 MET 11 2HG MET 11 4.869 1.305 5.851 76 HE1 MET 11 3HE MET 11 5.017 2.906 8.300 77 HE2 MET 11 1HE MET 11 6.697 3.482 8.380 78 HE3 MET 11 2HE MET 11 5.847 3.423 6.816 79 H ASN 12 H ASN 12 2.427 -2.354 7.377 80 HA ASN 12 HA ASN 12 1.426 -3.671 8.845 81 HB2 ASN 12 1HB ASN 12 -0.060 -1.325 10.037 82 HB3 ASN 12 2HB ASN 12 0.113 -2.931 10.720 83 HD21 ASN 12 1HD2 ASN 12 0.958 -0.054 11.465 84 HD22 ASN 12 2HD2 ASN 12 2.603 -0.279 12.062 85 H MET 13 H MET 13 -0.386 -1.796 6.585 86 HA MET 13 HA MET 13 -2.967 -2.683 7.360 87 HB2 MET 13 1HB MET 13 -2.329 -0.747 5.806 88 HB3 MET 13 2HB MET 13 -2.228 -1.945 4.530 89 HG2 MET 13 1HG MET 13 -4.433 -0.699 4.861 90 HG3 MET 13 2HG MET 13 -4.515 -2.443 4.614 91 HE1 MET 13 3HE MET 13 -3.721 -0.935 8.374 92 HE2 MET 13 1HE MET 13 -4.227 0.253 7.177 93 HE3 MET 13 2HE MET 13 -5.312 -0.156 8.526 94 H VAL 14 H VAL 14 -0.519 -4.211 5.233 95 HA VAL 14 HA VAL 14 -2.351 -6.495 4.794 96 HB VAL 14 HB VAL 14 -1.543 -6.594 2.455 97 HG11 VAL 14 1HG1 VAL 14 -3.063 -4.896 1.613 98 HG12 VAL 14 2HG1 VAL 14 -3.751 -5.639 3.058 99 HG13 VAL 14 3HG1 VAL 14 -3.024 -4.024 3.153 100 HG21 VAL 14 3HG2 VAL 14 -0.512 -3.758 2.922 101 HG22 VAL 14 1HG2 VAL 14 0.502 -5.195 2.650 102 HG23 VAL 14 2HG2 VAL 14 -0.587 -4.633 1.377 103 H LEU 15 H LEU 15 -1.320 -8.462 4.289 104 HA LEU 15 HA LEU 15 1.375 -8.664 5.530 105 HB2 LEU 15 1HB LEU 15 -0.587 -10.939 5.250 106 HB3 LEU 15 2HB LEU 15 0.782 -10.800 6.335 107 HG LEU 15 HG LEU 15 -1.947 -9.507 6.591 108 HD11 LEU 15 1HD1 LEU 15 -0.369 -11.400 8.397 109 HD12 LEU 15 2HD1 LEU 15 -1.664 -11.890 7.311 110 HD13 LEU 15 3HD1 LEU 15 -2.030 -10.823 8.659 111 HD21 LEU 15 3HD2 LEU 15 -1.219 -8.472 8.681 112 HD22 LEU 15 1HD2 LEU 15 -0.255 -7.827 7.356 113 HD23 LEU 15 2HD2 LEU 15 0.439 -9.058 8.421 114 HA PRO 16 HA PRO 16 2.626 -10.441 1.575 115 HB2 PRO 16 1HB PRO 16 4.571 -12.243 2.322 116 HB3 PRO 16 2HB PRO 16 4.807 -10.477 2.397 117 HG2 PRO 16 1HG PRO 16 3.947 -12.335 4.642 118 HG3 PRO 16 2HG PRO 16 5.263 -11.117 4.663 119 HD2 PRO 16 1HD PRO 16 2.823 -10.514 5.656 120 HD3 PRO 16 2HD PRO 16 3.726 -9.314 4.696 121 H GLU 17 H GLU 17 0.770 -12.099 3.839 122 HA GLU 17 HA GLU 17 0.456 -14.506 2.124 123 HB2 GLU 17 1HB GLU 17 -0.185 -15.693 4.162 124 HB3 GLU 17 2HB GLU 17 1.477 -15.101 4.168 125 HG2 GLU 17 1HG GLU 17 0.679 -13.116 5.569 126 HG3 GLU 17 2HG GLU 17 -0.890 -13.919 5.666 127 H GLU 18 H GLU 18 -0.938 -11.601 2.472 128 HA GLU 18 HA GLU 18 -3.726 -12.624 2.291 129 HB2 GLU 18 1HB GLU 18 -2.725 -10.272 3.925 130 HB3 GLU 18 2HB GLU 18 -4.409 -10.705 3.713 131 HG2 GLU 18 1HG GLU 18 -2.335 -12.401 5.138 132 HG3 GLU 18 2HG GLU 18 -3.519 -11.356 5.901 133 H LEU 19 H LEU 19 -1.806 -11.871 0.202 134 HA LEU 19 HA LEU 19 -3.407 -9.746 -1.147 135 HB2 LEU 19 1HB LEU 19 -0.394 -10.060 -1.183 136 HB3 LEU 19 2HB LEU 19 -1.330 -9.000 -2.263 137 HG LEU 19 HG LEU 19 -1.295 -8.667 0.761 138 HD11 LEU 19 1HD1 LEU 19 0.367 -7.262 -1.362 139 HD12 LEU 19 2HD1 LEU 19 0.985 -8.377 -0.123 140 HD13 LEU 19 3HD1 LEU 19 0.293 -6.827 0.361 141 HD21 LEU 19 3HD2 LEU 19 -2.259 -6.926 -1.585 142 HD22 LEU 19 1HD2 LEU 19 -2.181 -6.386 0.104 143 HD23 LEU 19 2HD2 LEU 19 -3.291 -7.677 -0.368 144 H LEU 20 H LEU 20 -4.327 -12.048 -1.474 145 HA LEU 20 HA LEU 20 -3.192 -13.246 -3.968 146 HB2 LEU 20 1HB LEU 20 -4.663 -14.777 -1.800 147 HB3 LEU 20 2HB LEU 20 -4.067 -15.378 -3.318 148 HG LEU 20 HG LEU 20 -2.617 -16.274 -1.833 149 HD11 LEU 20 1HD1 LEU 20 -1.363 -15.110 -3.657 150 HD12 LEU 20 2HD1 LEU 20 -0.433 -15.400 -2.177 151 HD13 LEU 20 3HD1 LEU 20 -1.034 -13.774 -2.526 152 HD21 LEU 20 3HD2 LEU 20 -2.461 -13.649 -0.312 153 HD22 LEU 20 1HD2 LEU 20 -1.619 -15.160 0.101 154 HD23 LEU 20 2HD2 LEU 20 -3.389 -15.057 0.135 155 H ASP 21 H ASP 21 -6.129 -12.616 -1.959 156 HA ASP 21 HA ASP 21 -7.892 -13.550 -4.055 157 HB2 ASP 21 1HB ASP 21 -8.401 -12.181 -1.395 158 HB3 ASP 21 2HB ASP 21 -9.671 -12.649 -2.530 159 H ASP 22 H ASP 22 -7.873 -12.383 -5.817 160 HA ASP 22 HA ASP 22 -7.319 -9.710 -6.200 161 HB2 ASP 22 1HB ASP 22 -9.139 -11.533 -7.844 162 HB3 ASP 22 2HB ASP 22 -8.516 -9.979 -8.389 163 H GLU 23 H GLU 23 -10.391 -11.172 -5.304 164 HA GLU 23 HA GLU 23 -12.080 -8.958 -6.027 165 HB2 GLU 23 1HB GLU 23 -12.466 -11.255 -4.069 166 HB3 GLU 23 2HB GLU 23 -13.705 -10.057 -4.466 167 HG2 GLU 23 1HG GLU 23 -13.556 -10.772 -6.779 168 HG3 GLU 23 2HG GLU 23 -12.353 -12.012 -6.369 169 H GLU 24 H GLU 24 -11.122 -10.125 -2.725 170 HA GLU 24 HA GLU 24 -12.011 -7.962 -1.292 171 HB2 GLU 24 1HB GLU 24 -10.993 -10.277 -0.618 172 HB3 GLU 24 2HB GLU 24 -9.435 -9.445 -0.661 173 HG2 GLU 24 1HG GLU 24 -10.578 -7.719 0.946 174 HG3 GLU 24 2HG GLU 24 -11.845 -8.941 1.094 175 H TYR 25 H TYR 25 -8.860 -8.418 -2.878 176 HA TYR 25 HA TYR 25 -7.482 -6.102 -2.091 177 HB2 TYR 25 1HB TYR 25 -6.474 -7.969 -3.168 178 HB3 TYR 25 2HB TYR 25 -7.502 -7.820 -4.577 179 HD1 TYR 25 1HD TYR 25 -7.224 -5.947 -6.158 180 HD2 TYR 25 2HD TYR 25 -4.404 -6.761 -3.009 181 HE1 TYR 25 1HE TYR 25 -5.486 -4.755 -7.450 182 HE2 TYR 25 2HE TYR 25 -2.647 -5.519 -4.270 183 HH TYR 25 HH TYR 25 -3.201 -4.373 -7.590 184 H GLU 26 H GLU 26 -10.136 -6.454 -4.624 185 HA GLU 26 HA GLU 26 -9.506 -3.828 -5.770 186 HB2 GLU 26 1HB GLU 26 -11.035 -6.319 -6.452 187 HB3 GLU 26 2HB GLU 26 -11.820 -4.832 -6.895 188 HG2 GLU 26 1HG GLU 26 -9.896 -4.116 -8.224 189 HG3 GLU 26 2HG GLU 26 -8.905 -5.429 -7.588 190 H GLU 27 H GLU 27 -11.991 -5.410 -3.781 191 HA GLU 27 HA GLU 27 -13.761 -3.170 -3.579 192 HB2 GLU 27 1HB GLU 27 -13.139 -5.163 -1.361 193 HB3 GLU 27 2HB GLU 27 -14.577 -4.162 -1.517 194 HG2 GLU 27 1HG GLU 27 -13.726 -6.516 -3.211 195 HG3 GLU 27 2HG GLU 27 -15.117 -6.404 -2.146 196 H ILE 28 H ILE 28 -10.987 -4.166 -1.557 197 HA ILE 28 HA ILE 28 -11.091 -2.045 0.322 198 HB ILE 28 HB ILE 28 -8.800 -3.809 -0.692 199 HG12 ILE 28 1HG1 ILE 28 -10.254 -3.731 2.016 200 HG13 ILE 28 2HG1 ILE 28 -10.789 -4.747 0.692 201 HG21 ILE 28 1HG2 ILE 28 -7.574 -2.988 1.360 202 HG22 ILE 28 2HG2 ILE 28 -7.749 -1.760 0.112 203 HG23 ILE 28 3HG2 ILE 28 -8.809 -1.721 1.538 204 HD11 ILE 28 3HD1 ILE 28 -8.111 -4.969 2.127 205 HD12 ILE 28 1HD1 ILE 28 -9.477 -6.073 2.211 206 HD13 ILE 28 2HD1 ILE 28 -8.576 -5.914 0.694 207 H VAL 29 H VAL 29 -9.421 -2.223 -2.850 208 HA VAL 29 HA VAL 29 -8.067 0.257 -2.636 209 HB VAL 29 HB VAL 29 -8.981 -1.557 -4.852 210 HG11 VAL 29 1HG1 VAL 29 -8.846 0.544 -6.031 211 HG12 VAL 29 2HG1 VAL 29 -7.287 0.938 -5.241 212 HG13 VAL 29 3HG1 VAL 29 -7.395 -0.405 -6.405 213 HG21 VAL 29 3HG2 VAL 29 -7.043 -2.090 -3.207 214 HG22 VAL 29 1HG2 VAL 29 -6.653 -2.205 -4.927 215 HG23 VAL 29 2HG2 VAL 29 -6.150 -0.782 -3.977 216 H GLU 30 H GLU 30 -11.468 -0.384 -3.455 217 HA GLU 30 HA GLU 30 -11.768 2.411 -4.360 218 HB2 GLU 30 1HB GLU 30 -13.911 0.266 -3.993 219 HB3 GLU 30 2HB GLU 30 -14.147 1.876 -4.662 220 HG2 GLU 30 1HG GLU 30 -12.182 1.027 -6.339 221 HG3 GLU 30 2HG GLU 30 -12.880 -0.532 -5.924 222 H ASP 31 H ASP 31 -12.265 0.551 -1.468 223 HA ASP 31 HA ASP 31 -13.833 2.684 -0.137 224 HB2 ASP 31 1HB ASP 31 -13.769 0.241 0.639 225 HB3 ASP 31 2HB ASP 31 -12.153 0.544 1.242 226 H VAL 32 H VAL 32 -10.508 1.747 -0.383 227 HA VAL 32 HA VAL 32 -9.471 3.661 1.550 228 HB VAL 32 HB VAL 32 -8.227 1.800 -0.536 229 HG11 VAL 32 1HG1 VAL 32 -6.020 2.270 0.599 230 HG12 VAL 32 2HG1 VAL 32 -6.632 3.576 -0.419 231 HG13 VAL 32 3HG1 VAL 32 -6.821 3.694 1.328 232 HG21 VAL 32 3HG2 VAL 32 -9.241 0.829 1.563 233 HG22 VAL 32 1HG2 VAL 32 -7.508 0.528 1.417 234 HG23 VAL 32 2HG2 VAL 32 -8.114 1.795 2.521 235 H ARG 33 H ARG 33 -10.151 3.608 -1.885 236 HA ARG 33 HA ARG 33 -8.739 5.985 -2.603 237 HB2 ARG 33 1HB ARG 33 -10.074 4.430 -4.222 238 HB3 ARG 33 2HB ARG 33 -11.519 5.247 -3.667 239 HG2 ARG 33 1HG ARG 33 -11.117 6.683 -5.396 240 HG3 ARG 33 2HG ARG 33 -9.933 7.437 -4.317 241 HD2 ARG 33 1HD ARG 33 -8.214 5.788 -5.188 242 HD3 ARG 33 2HD ARG 33 -9.467 5.198 -6.305 243 HE ARG 33 HE ARG 33 -9.226 7.962 -6.767 244 HH11 ARG 33 1HH1 ARG 33 -7.468 4.931 -7.190 245 HH12 ARG 33 2HH1 ARG 33 -6.491 5.455 -8.510 246 HH21 ARG 33 1HH2 ARG 33 -8.003 8.746 -8.399 247 HH22 ARG 33 2HH2 ARG 33 -6.712 7.868 -9.154 248 H ASP 34 H ASP 34 -12.116 5.534 -1.475 249 HA ASP 34 HA ASP 34 -12.697 8.272 -1.558 250 HB2 ASP 34 1HB ASP 34 -14.248 6.099 -1.222 251 HB3 ASP 34 2HB ASP 34 -14.083 6.504 0.461 252 H GLU 35 H GLU 35 -11.538 6.193 1.081 253 HA GLU 35 HA GLU 35 -12.055 8.069 3.054 254 HB2 GLU 35 1HB GLU 35 -11.010 6.687 4.582 255 HB3 GLU 35 2HB GLU 35 -11.565 5.583 3.343 256 HG2 GLU 35 1HG GLU 35 -9.182 5.503 2.495 257 HG3 GLU 35 2HG GLU 35 -8.727 6.531 3.864 258 H CYS 36 H CYS 36 -9.096 7.563 1.172 259 HA CYS 36 HA CYS 36 -7.639 9.652 2.620 260 HB2 CYS 36 1HB CYS 36 -6.735 7.528 1.245 261 HB3 CYS 36 2HB CYS 36 -6.762 8.705 -0.084 262 HG CYS 36 HG CYS 36 -5.120 8.687 2.805 263 H SER 37 H SER 37 -9.829 9.486 -0.146 264 HA SER 37 HA SER 37 -9.078 11.953 -1.392 265 HB2 SER 37 1HB SER 37 -10.359 10.064 -2.421 266 HB3 SER 37 2HB SER 37 -11.729 10.476 -1.386 267 HG SER 37 HG SER 37 -12.267 11.634 -2.952 268 H LYS 38 H LYS 38 -10.965 11.151 1.488 269 HA LYS 38 HA LYS 38 -12.290 13.620 1.877 270 HB2 LYS 38 1HB LYS 38 -10.982 11.931 4.048 271 HB3 LYS 38 2HB LYS 38 -12.283 13.109 4.237 272 HG2 LYS 38 1HG LYS 38 -13.621 11.658 2.566 273 HG3 LYS 38 2HG LYS 38 -12.380 10.440 2.789 274 HD2 LYS 38 1HD LYS 38 -12.830 10.235 5.146 275 HD3 LYS 38 2HD LYS 38 -13.993 11.583 5.075 276 HE2 LYS 38 1HE LYS 38 -15.393 10.299 3.487 277 HE3 LYS 38 2HE LYS 38 -14.240 8.967 3.513 278 HZ1 LYS 38 3HZ LYS 38 -14.757 8.554 5.753 279 HZ2 LYS 38 1HZ LYS 38 -16.152 8.646 4.911 280 HZ3 LYS 38 2HZ LYS 38 -15.741 9.915 5.881 281 H TYR 39 H TYR 39 -8.841 12.987 1.862 282 HA TYR 39 HA TYR 39 -8.252 15.574 3.180 283 HB2 TYR 39 1HB TYR 39 -6.530 13.105 2.748 284 HB3 TYR 39 2HB TYR 39 -6.034 14.585 3.556 285 HD1 TYR 39 2HD TYR 39 -8.484 11.739 3.787 286 HD2 TYR 39 1HD TYR 39 -6.378 14.852 5.905 287 HE1 TYR 39 2HE TYR 39 -9.463 10.956 5.873 288 HE2 TYR 39 1HE TYR 39 -7.333 14.031 8.038 289 HH TYR 39 HH TYR 39 -9.687 11.332 8.151 290 H GLY 40 H GLY 40 -8.691 14.506 -0.007 291 HA2 GLY 40 1HA GLY 40 -7.689 16.656 -1.299 292 HA3 GLY 40 2HA GLY 40 -6.262 15.626 -1.133 293 H LEU 41 H LEU 41 -6.141 15.426 -3.455 294 HA LEU 41 HA LEU 41 -8.244 13.681 -4.622 295 HB2 LEU 41 1HB LEU 41 -7.975 15.967 -5.521 296 HB3 LEU 41 2HB LEU 41 -6.355 15.635 -5.926 297 HG LEU 41 HG LEU 41 -7.751 15.557 -7.870 298 HD11 LEU 41 1HD1 LEU 41 -7.160 12.651 -7.458 299 HD12 LEU 41 2HD1 LEU 41 -5.852 13.838 -7.628 300 HD13 LEU 41 3HD1 LEU 41 -7.035 13.634 -8.927 301 HD21 LEU 41 3HD2 LEU 41 -9.560 14.018 -8.220 302 HD22 LEU 41 1HD2 LEU 41 -9.878 14.939 -6.737 303 HD23 LEU 41 2HD2 LEU 41 -9.310 13.257 -6.638 304 H VAL 42 H VAL 42 -7.637 11.720 -4.670 305 HA VAL 42 HA VAL 42 -4.862 10.791 -4.436 306 HB VAL 42 HB VAL 42 -7.441 9.294 -4.852 307 HG11 VAL 42 1HG1 VAL 42 -4.691 8.253 -4.147 308 HG12 VAL 42 2HG1 VAL 42 -6.177 7.286 -4.069 309 HG13 VAL 42 3HG1 VAL 42 -5.611 7.912 -5.618 310 HG21 VAL 42 3HG2 VAL 42 -7.570 8.749 -2.561 311 HG22 VAL 42 1HG2 VAL 42 -5.967 9.406 -2.239 312 HG23 VAL 42 2HG2 VAL 42 -7.319 10.490 -2.611 313 H LYS 43 H LYS 43 -3.652 10.845 -6.191 314 HA LYS 43 HA LYS 43 -4.515 10.846 -8.939 315 HB2 LYS 43 1HB LYS 43 -2.340 11.754 -7.914 316 HB3 LYS 43 2HB LYS 43 -1.846 10.079 -7.746 317 HG2 LYS 43 1HG LYS 43 -0.763 10.960 -9.622 318 HG3 LYS 43 2HG LYS 43 -1.959 9.833 -10.231 319 HD2 LYS 43 1HD LYS 43 -2.645 12.784 -10.006 320 HD3 LYS 43 2HD LYS 43 -1.549 12.281 -11.280 321 HE2 LYS 43 1HE LYS 43 -4.329 11.077 -10.892 322 HE3 LYS 43 2HE LYS 43 -3.959 12.426 -11.987 323 HZ1 LYS 43 3HZ LYS 43 -2.457 10.994 -13.184 324 HZ2 LYS 43 1HZ LYS 43 -3.941 10.277 -13.112 325 HZ3 LYS 43 2HZ LYS 43 -2.754 9.733 -12.157 326 H SER 44 H SER 44 -2.857 8.298 -6.864 327 HA SER 44 HA SER 44 -4.456 6.165 -7.985 328 HB2 SER 44 1HB SER 44 -2.101 5.143 -8.878 329 HB3 SER 44 2HB SER 44 -3.256 5.981 -9.894 330 HG SER 44 HG SER 44 -1.943 7.479 -10.233 331 H ILE 45 H ILE 45 -3.310 3.916 -7.340 332 HA ILE 45 HA ILE 45 -2.016 4.163 -4.736 333 HB ILE 45 HB ILE 45 -4.503 2.498 -5.234 334 HG12 ILE 45 1HG1 ILE 45 -4.253 4.926 -3.419 335 HG13 ILE 45 2HG1 ILE 45 -4.947 4.896 -5.010 336 HG21 ILE 45 1HG2 ILE 45 -4.298 2.051 -2.724 337 HG22 ILE 45 2HG2 ILE 45 -2.961 1.411 -3.664 338 HG23 ILE 45 3HG2 ILE 45 -2.749 2.924 -2.761 339 HD11 ILE 45 3HD1 ILE 45 -6.012 3.465 -2.565 340 HD12 ILE 45 1HD1 ILE 45 -6.786 4.760 -3.490 341 HD13 ILE 45 2HD1 ILE 45 -6.612 3.144 -4.204 342 H GLU 46 H GLU 46 -0.850 2.496 -4.319 343 HA GLU 46 HA GLU 46 -0.451 0.349 -6.358 344 HB2 GLU 46 1HB GLU 46 1.419 2.399 -5.786 345 HB3 GLU 46 2HB GLU 46 2.042 0.996 -4.979 346 HG2 GLU 46 1HG GLU 46 1.667 1.548 -7.908 347 HG3 GLU 46 2HG GLU 46 3.077 1.016 -7.081 348 H ILE 47 H ILE 47 -0.504 -1.634 -5.572 349 HA ILE 47 HA ILE 47 0.148 -2.272 -2.772 350 HB ILE 47 HB ILE 47 -2.482 -3.150 -4.052 351 HG12 ILE 47 1HG1 ILE 47 -1.976 -0.979 -2.000 352 HG13 ILE 47 2HG1 ILE 47 -2.764 -0.843 -3.581 353 HG21 ILE 47 1HG2 ILE 47 -1.687 -3.430 -1.125 354 HG22 ILE 47 2HG2 ILE 47 -2.986 -4.238 -1.996 355 HG23 ILE 47 3HG2 ILE 47 -1.319 -4.695 -2.327 356 HD11 ILE 47 3HD1 ILE 47 -4.454 -0.713 -1.912 357 HD12 ILE 47 1HD1 ILE 47 -4.616 -2.300 -2.714 358 HD13 ILE 47 2HD1 ILE 47 -3.876 -2.173 -1.101 359 HA PRO 48 HA PRO 48 1.877 -4.892 -6.181 360 HB2 PRO 48 1HB PRO 48 4.316 -5.438 -4.983 361 HB3 PRO 48 2HB PRO 48 3.970 -3.971 -5.939 362 HG2 PRO 48 1HG PRO 48 3.909 -4.284 -2.927 363 HG3 PRO 48 2HG PRO 48 4.623 -2.950 -3.886 364 HD2 PRO 48 1HD PRO 48 2.213 -2.691 -2.752 365 HD3 PRO 48 2HD PRO 48 2.545 -2.009 -4.372 366 H ARG 49 H ARG 49 1.577 -7.186 -6.296 367 HA ARG 49 HA ARG 49 0.929 -8.580 -3.765 368 HB2 ARG 49 1HB ARG 49 0.669 -9.354 -6.700 369 HB3 ARG 49 2HB ARG 49 0.435 -10.486 -5.393 370 HG2 ARG 49 1HG ARG 49 -1.692 -9.915 -5.679 371 HG3 ARG 49 2HG ARG 49 -1.296 -8.733 -4.452 372 HD2 ARG 49 1HD ARG 49 -1.294 -6.953 -6.039 373 HD3 ARG 49 2HD ARG 49 -1.162 -8.060 -7.411 374 HE ARG 49 HE ARG 49 -3.560 -7.610 -5.707 375 HH11 ARG 49 1HH1 ARG 49 -2.197 -9.450 -8.394 376 HH12 ARG 49 2HH1 ARG 49 -3.732 -9.830 -9.102 377 HH21 ARG 49 1HH2 ARG 49 -5.596 -8.181 -6.597 378 HH22 ARG 49 2HH2 ARG 49 -5.634 -9.347 -7.903 379 HA PRO 50 HA PRO 50 4.814 -11.009 -3.515 380 HB2 PRO 50 1HB PRO 50 3.643 -13.435 -2.723 381 HB3 PRO 50 2HB PRO 50 4.247 -12.117 -1.680 382 HG2 PRO 50 1HG PRO 50 1.477 -12.861 -2.390 383 HG3 PRO 50 2HG PRO 50 2.098 -11.914 -1.001 384 HD2 PRO 50 1HD PRO 50 0.767 -10.888 -3.225 385 HD3 PRO 50 2HD PRO 50 1.733 -9.957 -2.061 386 H VAL 51 H VAL 51 5.741 -13.048 -4.223 387 HA VAL 51 HA VAL 51 4.551 -13.970 -6.823 388 HB VAL 51 HB VAL 51 7.493 -13.399 -6.327 389 HG11 VAL 51 1HG1 VAL 51 6.941 -15.248 -7.962 390 HG12 VAL 51 2HG1 VAL 51 6.004 -14.075 -8.906 391 HG13 VAL 51 3HG1 VAL 51 7.757 -13.861 -8.691 392 HG21 VAL 51 3HG2 VAL 51 7.163 -11.580 -8.032 393 HG22 VAL 51 1HG2 VAL 51 5.403 -11.830 -7.906 394 HG23 VAL 51 2HG2 VAL 51 6.343 -11.255 -6.505 395 H ASP 52 H ASP 52 3.740 -15.840 -6.102 396 HA ASP 52 HA ASP 52 3.613 -17.978 -5.440 397 HB2 ASP 52 1HB ASP 52 5.057 -17.879 -7.525 398 HB3 ASP 52 2HB ASP 52 6.436 -18.226 -6.500 399 H GLY 53 H GLY 53 3.883 -16.691 -3.245 400 HA2 GLY 53 1HA GLY 53 4.243 -17.193 -1.040 401 HA3 GLY 53 2HA GLY 53 5.392 -18.458 -1.495 402 H VAL 54 H VAL 54 6.628 -15.957 -3.247 403 HA VAL 54 HA VAL 54 8.575 -15.484 -1.082 404 HB VAL 54 HB VAL 54 8.812 -14.805 -4.025 405 HG11 VAL 54 1HG1 VAL 54 10.901 -15.155 -1.814 406 HG12 VAL 54 2HG1 VAL 54 11.277 -14.969 -3.541 407 HG13 VAL 54 3HG1 VAL 54 10.500 -13.661 -2.670 408 HG21 VAL 54 3HG2 VAL 54 8.478 -17.245 -3.798 409 HG22 VAL 54 1HG2 VAL 54 10.194 -16.949 -4.114 410 HG23 VAL 54 2HG2 VAL 54 9.644 -17.326 -2.472 411 H GLU 55 H GLU 55 9.202 -13.586 -0.391 412 HA GLU 55 HA GLU 55 7.532 -11.301 -0.318 413 HB2 GLU 55 1HB GLU 55 9.293 -10.384 1.008 414 HB3 GLU 55 2HB GLU 55 9.190 -12.109 1.391 415 HG2 GLU 55 1HG GLU 55 11.028 -12.381 -0.479 416 HG3 GLU 55 2HG GLU 55 11.240 -10.639 -0.260 417 H VAL 56 H VAL 56 7.652 -9.409 -1.445 418 HA VAL 56 HA VAL 56 9.626 -9.108 -3.577 419 HB VAL 56 HB VAL 56 8.122 -8.252 -4.725 420 HG11 VAL 56 1HG1 VAL 56 6.046 -9.303 -2.921 421 HG12 VAL 56 2HG1 VAL 56 5.950 -9.055 -4.685 422 HG13 VAL 56 3HG1 VAL 56 7.037 -10.273 -4.033 423 HG21 VAL 56 3HG2 VAL 56 7.912 -6.078 -3.904 424 HG22 VAL 56 1HG2 VAL 56 6.412 -6.687 -4.573 425 HG23 VAL 56 2HG2 VAL 56 6.602 -6.560 -2.836 426 HA PRO 57 HA PRO 57 11.345 -5.432 -1.601 427 HB2 PRO 57 1HB PRO 57 12.236 -3.991 -3.702 428 HB3 PRO 57 2HB PRO 57 13.011 -5.514 -3.151 429 HG2 PRO 57 1HG PRO 57 11.086 -5.155 -5.452 430 HG3 PRO 57 2HG PRO 57 12.619 -6.085 -5.421 431 HD2 PRO 57 1HD PRO 57 10.128 -7.221 -5.049 432 HD3 PRO 57 2HD PRO 57 11.617 -7.879 -4.304 433 H GLY 58 H GLY 58 9.561 -4.682 -0.721 434 HA2 GLY 58 1HA GLY 58 8.246 -2.525 -0.642 435 HA3 GLY 58 2HA GLY 58 7.646 -2.955 -2.242 436 H CYS 59 H CYS 59 7.899 -5.905 -0.703 437 HA CYS 59 HA CYS 59 5.065 -6.074 -0.759 438 HB2 CYS 59 1HB CYS 59 6.723 -7.927 -1.373 439 HB3 CYS 59 2HB CYS 59 6.952 -8.124 0.411 440 HG CYS 59 HG CYS 59 4.171 -8.301 -1.278 441 H GLY 60 H GLY 60 3.584 -5.980 0.802 442 HA2 GLY 60 1HA GLY 60 2.639 -6.029 2.947 443 HA3 GLY 60 2HA GLY 60 4.243 -6.046 3.668 444 H LYS 61 H LYS 61 4.272 -3.562 1.372 445 HA LYS 61 HA LYS 61 3.389 -1.512 3.348 446 HB2 LYS 61 1HB LYS 61 5.378 -1.167 1.072 447 HB3 LYS 61 2HB LYS 61 4.905 0.031 2.278 448 HG2 LYS 61 1HG LYS 61 6.900 -0.630 3.165 449 HG3 LYS 61 2HG LYS 61 5.863 -1.814 3.975 450 HD2 LYS 61 1HD LYS 61 6.411 -3.399 2.006 451 HD3 LYS 61 2HD LYS 61 7.571 -2.186 1.466 452 HE2 LYS 61 1HE LYS 61 8.839 -2.428 3.496 453 HE3 LYS 61 2HE LYS 61 7.563 -3.425 4.230 454 HZ1 LYS 61 3HZ LYS 61 9.296 -4.192 1.957 455 HZ2 LYS 61 1HZ LYS 61 8.006 -5.081 2.503 456 HZ3 LYS 61 2HZ LYS 61 9.309 -4.840 3.440 457 H ILE 62 H ILE 62 2.366 0.392 2.223 458 HA ILE 62 HA ILE 62 1.162 -0.284 -0.423 459 HB ILE 62 HB ILE 62 -0.309 0.625 2.074 460 HG12 ILE 62 1HG1 ILE 62 -0.389 -1.723 0.165 461 HG13 ILE 62 2HG1 ILE 62 -0.157 -1.717 1.933 462 HG21 ILE 62 1HG2 ILE 62 -1.313 0.757 -0.807 463 HG22 ILE 62 2HG2 ILE 62 -2.287 1.045 0.663 464 HG23 ILE 62 3HG2 ILE 62 -0.991 2.140 0.251 465 HD11 ILE 62 3HD1 ILE 62 -2.479 -1.357 2.305 466 HD12 ILE 62 1HD1 ILE 62 -2.791 -1.097 0.572 467 HD13 ILE 62 2HD1 ILE 62 -2.296 -2.676 1.143 468 H PHE 63 H PHE 63 0.961 1.524 -1.742 469 HA PHE 63 HA PHE 63 2.112 4.044 -0.701 470 HB2 PHE 63 1HB PHE 63 2.679 2.971 -3.464 471 HB3 PHE 63 2HB PHE 63 3.483 4.258 -2.593 472 HD1 PHE 63 1HD PHE 63 3.018 0.537 -2.659 473 HD2 PHE 63 2HD PHE 63 5.426 3.828 -1.272 474 HE1 PHE 63 1HE PHE 63 4.644 -1.050 -1.765 475 HE2 PHE 63 2HE PHE 63 7.120 2.226 -0.429 476 HZ PHE 63 HZ PHE 63 6.747 -0.216 -0.660 477 H VAL 64 H VAL 64 1.085 5.897 -1.588 478 HA VAL 64 HA VAL 64 -1.215 5.500 -3.394 479 HB VAL 64 HB VAL 64 -1.217 6.762 -0.645 480 HG11 VAL 64 1HG1 VAL 64 -3.391 6.950 -2.757 481 HG12 VAL 64 2HG1 VAL 64 -3.606 7.410 -1.056 482 HG13 VAL 64 3HG1 VAL 64 -2.453 8.292 -2.068 483 HG21 VAL 64 3HG2 VAL 64 -3.118 4.654 -1.621 484 HG22 VAL 64 1HG2 VAL 64 -1.694 4.320 -0.622 485 HG23 VAL 64 2HG2 VAL 64 -3.021 5.317 -0.011 486 H GLU 65 H GLU 65 -1.494 7.501 -4.638 487 HA GLU 65 HA GLU 65 0.583 9.554 -4.144 488 HB2 GLU 65 1HB GLU 65 1.504 8.253 -5.846 489 HB3 GLU 65 2HB GLU 65 -0.021 8.191 -6.768 490 HG2 GLU 65 1HG GLU 65 0.191 10.442 -7.408 491 HG3 GLU 65 2HG GLU 65 1.344 10.819 -6.141 492 H PHE 66 H PHE 66 -0.018 11.656 -4.523 493 HA PHE 66 HA PHE 66 -2.891 12.166 -5.024 494 HB2 PHE 66 1HB PHE 66 -0.922 13.290 -3.035 495 HB3 PHE 66 2HB PHE 66 -2.151 14.321 -3.695 496 HD1 PHE 66 1HD PHE 66 -2.711 10.639 -2.692 497 HD2 PHE 66 2HD PHE 66 -3.258 14.838 -1.795 498 HE1 PHE 66 1HE PHE 66 -4.341 10.078 -0.988 499 HE2 PHE 66 2HE PHE 66 -4.865 14.228 0.012 500 HZ PHE 66 HZ PHE 66 -5.448 11.845 0.381 501 H THR 67 H THR 67 -3.164 14.435 -5.867 502 HA THR 67 HA THR 67 -1.163 14.941 -8.002 503 HB THR 67 HB THR 67 -3.581 14.382 -8.413 504 HG1 THR 67 1HG THR 67 -2.721 16.827 -9.540 505 HG21 THR 67 3HG2 THR 67 -5.280 16.063 -8.130 506 HG22 THR 67 1HG2 THR 67 -4.086 17.228 -7.509 507 HG23 THR 67 2HG2 THR 67 -4.454 15.750 -6.601 508 H SER 68 H SER 68 -1.361 16.001 -4.836 509 HA SER 68 HA SER 68 0.516 17.910 -5.704 510 HB2 SER 68 1HB SER 68 -0.342 19.804 -4.242 511 HB3 SER 68 2HB SER 68 -1.140 19.561 -5.788 512 HG SER 68 HG SER 68 -2.907 19.114 -4.895 513 H VAL 69 H VAL 69 2.162 18.070 -4.200 514 HA VAL 69 HA VAL 69 2.406 16.724 -1.793 515 HB VAL 69 HB VAL 69 3.344 19.597 -1.839 516 HG11 VAL 69 1HG1 VAL 69 3.912 17.789 -0.044 517 HG12 VAL 69 2HG1 VAL 69 5.000 17.144 -1.260 518 HG13 VAL 69 3HG1 VAL 69 5.226 18.805 -0.695 519 HG21 VAL 69 3HG2 VAL 69 4.534 17.522 -3.696 520 HG22 VAL 69 1HG2 VAL 69 3.886 19.142 -4.085 521 HG23 VAL 69 2HG2 VAL 69 5.361 19.000 -3.162 522 H PHE 70 H PHE 70 0.758 19.780 -2.429 523 HA PHE 70 HA PHE 70 0.393 20.724 0.233 524 HB2 PHE 70 1HB PHE 70 -0.702 21.269 -2.523 525 HB3 PHE 70 2HB PHE 70 -1.747 21.735 -1.215 526 HD1 PHE 70 2HD PHE 70 1.705 22.268 -2.544 527 HD2 PHE 70 1HD PHE 70 -1.456 23.675 0.049 528 HE1 PHE 70 2HE PHE 70 2.844 24.448 -2.333 529 HE2 PHE 70 1HE PHE 70 -0.348 25.887 0.193 530 HZ PHE 70 HZ PHE 70 1.770 26.280 -0.996 531 H ASP 71 H ASP 71 -1.428 18.262 -1.509 532 HA ASP 71 HA ASP 71 -3.572 18.390 0.588 533 HB2 ASP 71 1HB ASP 71 -3.399 17.402 -2.221 534 HB3 ASP 71 2HB ASP 71 -4.468 16.572 -1.125 535 H CYS 72 H CYS 72 -1.036 16.305 -0.813 536 HA CYS 72 HA CYS 72 -1.646 14.076 0.872 537 HB2 CYS 72 1HB CYS 72 0.199 14.594 -1.211 538 HB3 CYS 72 2HB CYS 72 1.208 14.284 0.209 539 HG CYS 72 HG CYS 72 1.013 12.076 -0.909 540 H GLN 73 H GLN 73 0.278 17.002 1.368 541 HA GLN 73 HA GLN 73 1.412 16.476 3.897 542 HB2 GLN 73 1HB GLN 73 0.559 18.913 2.324 543 HB3 GLN 73 2HB GLN 73 0.942 19.149 3.998 544 HG2 GLN 73 1HG GLN 73 3.167 18.149 3.718 545 HG3 GLN 73 2HG GLN 73 2.831 17.815 2.023 546 HE21 GLN 73 1HE2 GLN 73 3.603 19.404 0.624 547 HE22 GLN 73 2HE2 GLN 73 3.822 21.092 1.010 548 H LYS 74 H LYS 74 -2.032 16.877 3.117 549 HA LYS 74 HA LYS 74 -2.713 17.426 5.933 550 HB2 LYS 74 1HB LYS 74 -4.607 16.855 3.625 551 HB3 LYS 74 2HB LYS 74 -4.916 17.616 5.176 552 HG2 LYS 74 1HG LYS 74 -3.265 19.486 4.355 553 HG3 LYS 74 2HG LYS 74 -3.471 18.731 2.761 554 HD2 LYS 74 1HD LYS 74 -6.052 18.942 3.346 555 HD3 LYS 74 2HD LYS 74 -5.497 20.150 4.520 556 HE2 LYS 74 1HE LYS 74 -4.244 21.240 2.504 557 HE3 LYS 74 2HE LYS 74 -5.171 20.109 1.505 558 HZ1 LYS 74 3HZ LYS 74 -6.124 22.422 3.007 559 HZ2 LYS 74 1HZ LYS 74 -7.152 21.127 2.789 560 HZ3 LYS 74 2HZ LYS 74 -6.566 21.889 1.501 561 H ALA 75 H ALA 75 -3.206 14.979 3.356 562 HA ALA 75 HA ALA 75 -4.494 13.004 4.839 563 HB1 ALA 75 1HB ALA 75 -3.673 11.431 3.137 564 HB2 ALA 75 2HB ALA 75 -4.167 12.959 2.372 565 HB3 ALA 75 3HB ALA 75 -2.441 12.595 2.609 566 H MET 76 H MET 76 -0.990 13.517 4.482 567 HA MET 76 HA MET 76 0.141 11.385 5.696 568 HB2 MET 76 1HB MET 76 1.534 12.949 4.683 569 HB3 MET 76 2HB MET 76 0.829 14.318 5.538 570 HG2 MET 76 1HG MET 76 3.157 13.812 6.202 571 HG3 MET 76 2HG MET 76 2.006 13.876 7.514 572 HE1 MET 76 3HE MET 76 4.637 10.398 6.331 573 HE2 MET 76 1HE MET 76 3.804 11.355 5.080 574 HE3 MET 76 2HE MET 76 4.956 12.143 6.173 575 H GLN 77 H GLN 77 -0.366 14.375 7.672 576 HA GLN 77 HA GLN 77 -0.093 12.703 10.035 577 HB2 GLN 77 1HB GLN 77 -0.891 15.621 9.948 578 HB3 GLN 77 2HB GLN 77 -0.276 14.704 11.317 579 HG2 GLN 77 1HG GLN 77 1.874 14.329 10.032 580 HG3 GLN 77 2HG GLN 77 1.266 15.469 8.816 581 HE21 GLN 77 1HE2 GLN 77 1.840 17.607 9.123 582 HE22 GLN 77 2HE2 GLN 77 2.209 18.318 10.669 583 H GLY 78 H GLY 78 -2.820 13.735 8.091 584 HA2 GLY 78 1HA GLY 78 -4.783 13.732 10.172 585 HA3 GLY 78 2HA GLY 78 -5.060 13.659 8.421 586 H LEU 79 H LEU 79 -3.349 11.183 8.189 587 HA LEU 79 HA LEU 79 -5.365 9.246 9.196 588 HB2 LEU 79 1HB LEU 79 -3.687 9.279 6.672 589 HB3 LEU 79 2HB LEU 79 -4.706 7.928 7.161 590 HG LEU 79 HG LEU 79 -5.785 10.756 6.697 591 HD11 LEU 79 1HD1 LEU 79 -4.917 9.824 4.614 592 HD12 LEU 79 2HD1 LEU 79 -6.680 9.955 4.601 593 HD13 LEU 79 3HD1 LEU 79 -5.926 8.370 4.845 594 HD21 LEU 79 3HD2 LEU 79 -7.956 9.294 6.429 595 HD22 LEU 79 1HD2 LEU 79 -7.370 9.698 8.037 596 HD23 LEU 79 2HD2 LEU 79 -7.069 8.075 7.337 597 H THR 80 H THR 80 -2.348 10.203 10.079 598 HA THR 80 HA THR 80 -0.920 7.842 10.558 599 HB THR 80 HB THR 80 -1.217 10.358 12.272 600 HG1 THR 80 1HG THR 80 0.843 10.788 11.076 601 HG21 THR 80 3HG2 THR 80 -0.108 8.491 13.479 602 HG22 THR 80 1HG2 THR 80 1.040 9.774 13.092 603 HG23 THR 80 2HG2 THR 80 1.008 8.290 12.107 604 H GLY 81 H GLY 81 -1.948 6.005 11.359 605 HA2 GLY 81 1HA GLY 81 -2.569 4.702 13.225 606 HA3 GLY 81 2HA GLY 81 -3.019 6.157 14.113 607 H ARG 82 H ARG 82 -4.419 6.244 10.962 608 HA ARG 82 HA ARG 82 -7.056 5.459 11.941 609 HB2 ARG 82 1HB ARG 82 -5.867 6.473 9.335 610 HB3 ARG 82 2HB ARG 82 -7.495 5.877 9.378 611 HG2 ARG 82 1HG ARG 82 -6.509 8.069 11.243 612 HG3 ARG 82 2HG ARG 82 -7.306 8.346 9.703 613 HD2 ARG 82 1HD ARG 82 -9.295 7.067 10.478 614 HD3 ARG 82 2HD ARG 82 -8.564 6.960 12.087 615 HE ARG 82 HE ARG 82 -9.741 9.309 10.787 616 HH11 ARG 82 1HH1 ARG 82 -7.768 8.227 13.581 617 HH12 ARG 82 2HH1 ARG 82 -7.717 9.813 14.255 618 HH21 ARG 82 1HH2 ARG 82 -9.698 11.266 11.683 619 HH22 ARG 82 2HH2 ARG 82 -8.720 11.651 13.078 620 H LYS 83 H LYS 83 -8.183 4.035 9.851 621 HA LYS 83 HA LYS 83 -6.729 1.467 10.016 622 HB2 LYS 83 1HB LYS 83 -9.646 1.712 10.820 623 HB3 LYS 83 2HB LYS 83 -8.634 0.263 10.780 624 HG2 LYS 83 1HG LYS 83 -7.128 1.622 12.499 625 HG3 LYS 83 2HG LYS 83 -8.597 2.589 12.705 626 HD2 LYS 83 1HD LYS 83 -9.719 0.151 13.013 627 HD3 LYS 83 2HD LYS 83 -8.041 -0.298 13.363 628 HE2 LYS 83 1HE LYS 83 -8.557 0.312 15.482 629 HE3 LYS 83 2HE LYS 83 -8.184 1.927 14.883 630 HZ1 LYS 83 3HZ LYS 83 -10.235 2.039 15.966 631 HZ2 LYS 83 1HZ LYS 83 -10.849 0.699 15.223 632 HZ3 LYS 83 2HZ LYS 83 -10.644 2.100 14.390 633 H PHE 84 H PHE 84 -6.391 1.212 7.897 634 HA PHE 84 HA PHE 84 -8.308 1.988 5.833 635 HB2 PHE 84 1HB PHE 84 -5.411 1.447 6.129 636 HB3 PHE 84 2HB PHE 84 -6.026 0.828 4.655 637 HD1 PHE 84 1HD PHE 84 -6.929 3.885 6.671 638 HD2 PHE 84 2HD PHE 84 -5.144 2.396 3.058 639 HE1 PHE 84 1HE PHE 84 -6.805 6.202 5.775 640 HE2 PHE 84 2HE PHE 84 -4.888 4.728 2.220 641 HZ PHE 84 HZ PHE 84 -5.804 6.607 3.521 642 H ALA 85 H ALA 85 -8.884 -0.271 7.625 643 HA ALA 85 HA ALA 85 -10.449 -1.850 6.146 644 HB1 ALA 85 1HB ALA 85 -8.623 -3.055 5.046 645 HB2 ALA 85 2HB ALA 85 -7.797 -3.336 6.583 646 HB3 ALA 85 3HB ALA 85 -9.344 -4.125 6.237 647 H ASN 86 H ASN 86 -8.334 -3.386 8.440 648 HA ASN 86 HA ASN 86 -10.175 -2.685 10.715 649 HB2 ASN 86 1HB ASN 86 -10.409 -4.973 9.671 650 HB3 ASN 86 2HB ASN 86 -8.777 -5.337 10.231 651 HD21 ASN 86 1HD2 ASN 86 -9.777 -3.578 12.853 652 HD22 ASN 86 2HD2 ASN 86 -10.651 -4.862 13.688 653 H ARG 87 H ARG 87 -6.828 -2.902 9.587 654 HA ARG 87 HA ARG 87 -5.848 -3.216 12.343 655 HB2 ARG 87 1HB ARG 87 -4.071 -3.066 9.880 656 HB3 ARG 87 2HB ARG 87 -3.760 -3.822 11.452 657 HG2 ARG 87 1HG ARG 87 -5.822 -5.348 10.824 658 HG3 ARG 87 2HG ARG 87 -5.556 -4.718 9.215 659 HD2 ARG 87 1HD ARG 87 -4.522 -6.845 9.377 660 HD3 ARG 87 2HD ARG 87 -3.273 -5.622 9.191 661 HE ARG 87 HE ARG 87 -2.316 -6.573 10.974 662 HH11 ARG 87 1HH1 ARG 87 -5.760 -6.615 11.987 663 HH12 ARG 87 2HH1 ARG 87 -5.540 -7.892 13.094 664 HH21 ARG 87 1HH2 ARG 87 -2.104 -8.340 12.331 665 HH22 ARG 87 2HH2 ARG 87 -3.372 -8.856 13.338 666 H VAL 88 H VAL 88 -3.664 -1.961 12.642 667 HA VAL 88 HA VAL 88 -4.418 0.906 12.578 668 HB VAL 88 HB VAL 88 -1.824 -0.182 13.792 669 HG11 VAL 88 1HG1 VAL 88 -3.643 2.200 14.399 670 HG12 VAL 88 2HG1 VAL 88 -2.326 1.682 15.469 671 HG13 VAL 88 3HG1 VAL 88 -1.957 2.215 13.845 672 HG21 VAL 88 3HG2 VAL 88 -3.447 -1.660 14.821 673 HG22 VAL 88 1HG2 VAL 88 -3.093 -0.412 16.000 674 HG23 VAL 88 2HG2 VAL 88 -4.605 -0.339 15.070 675 H VAL 89 H VAL 89 -2.624 2.479 11.936 676 HA VAL 89 HA VAL 89 -1.121 1.497 9.559 677 HB VAL 89 HB VAL 89 -3.016 3.884 9.901 678 HG11 VAL 89 1HG1 VAL 89 -1.281 3.170 7.499 679 HG12 VAL 89 2HG1 VAL 89 -2.547 4.407 7.574 680 HG13 VAL 89 3HG1 VAL 89 -1.092 4.635 8.531 681 HG21 VAL 89 3HG2 VAL 89 -2.980 1.596 7.926 682 HG22 VAL 89 1HG2 VAL 89 -4.085 1.687 9.330 683 HG23 VAL 89 2HG2 VAL 89 -4.228 2.865 8.019 684 H VAL 90 H VAL 90 0.791 2.496 9.153 685 HA VAL 90 HA VAL 90 1.605 4.814 10.815 686 HB VAL 90 HB VAL 90 3.376 2.458 10.032 687 HG11 VAL 90 1HG1 VAL 90 4.011 4.996 11.627 688 HG12 VAL 90 2HG1 VAL 90 5.093 3.619 11.352 689 HG13 VAL 90 3HG1 VAL 90 4.605 4.632 9.990 690 HG21 VAL 90 3HG2 VAL 90 3.578 2.154 12.506 691 HG22 VAL 90 1HG2 VAL 90 2.363 3.446 12.716 692 HG23 VAL 90 2HG2 VAL 90 1.908 1.925 11.954 693 H THR 91 H THR 91 1.755 6.514 9.457 694 HA THR 91 HA THR 91 1.993 6.283 6.597 695 HB THR 91 HB THR 91 2.016 8.925 7.222 696 HG1 THR 91 1HG THR 91 0.844 9.238 9.167 697 HG21 THR 91 3HG2 THR 91 0.226 7.797 5.973 698 HG22 THR 91 1HG2 THR 91 -0.456 8.877 7.184 699 HG23 THR 91 2HG2 THR 91 -0.439 7.126 7.482 700 H LYS 92 H LYS 92 3.704 7.185 5.425 701 HA LYS 92 HA LYS 92 6.061 8.430 6.621 702 HB2 LYS 92 1HB LYS 92 5.931 5.652 5.754 703 HB3 LYS 92 2HB LYS 92 6.743 6.519 4.498 704 HG2 LYS 92 1HG LYS 92 7.921 7.352 7.021 705 HG3 LYS 92 2HG LYS 92 7.700 5.611 7.040 706 HD2 LYS 92 1HD LYS 92 9.824 5.813 6.078 707 HD3 LYS 92 2HD LYS 92 8.795 5.640 4.668 708 HE2 LYS 92 1HE LYS 92 8.746 8.325 4.839 709 HE3 LYS 92 2HE LYS 92 10.224 8.072 5.759 710 HZ1 LYS 92 3HZ LYS 92 10.838 6.660 3.661 711 HZ2 LYS 92 1HZ LYS 92 10.921 8.306 3.568 712 HZ3 LYS 92 2HZ LYS 92 9.666 7.504 2.951 713 H TYR 93 H TYR 93 6.997 9.883 4.911 714 HA TYR 93 HA TYR 93 5.466 10.181 2.465 715 HB2 TYR 93 1HB TYR 93 8.209 11.193 3.323 716 HB3 TYR 93 2HB TYR 93 7.498 11.557 1.764 717 HD1 TYR 93 1HD TYR 93 4.661 12.230 2.416 718 HD2 TYR 93 2HD TYR 93 8.336 13.283 4.394 719 HE1 TYR 93 1HE TYR 93 3.610 14.310 3.249 720 HE2 TYR 93 2HE TYR 93 7.305 15.365 5.219 721 HH TYR 93 HH TYR 93 5.409 16.831 5.026 722 H CYS 94 H CYS 94 6.401 9.612 0.264 723 HA CYS 94 HA CYS 94 8.578 7.597 0.348 724 HB2 CYS 94 1HB CYS 94 5.937 6.990 -0.304 725 HB3 CYS 94 2HB CYS 94 6.698 7.246 -1.879 726 HG CYS 94 HG CYS 94 7.830 5.356 0.607 727 H ASP 95 H ASP 95 8.820 7.432 -2.509 728 HA ASP 95 HA ASP 95 9.562 10.229 -3.277 729 HB2 ASP 95 1HB ASP 95 10.822 7.544 -3.949 730 HB3 ASP 95 2HB ASP 95 10.983 8.950 -5.011 731 HA PRO 96 HA PRO 96 6.388 9.250 -6.343 732 HB2 PRO 96 1HB PRO 96 6.605 11.356 -8.039 733 HB3 PRO 96 2HB PRO 96 5.988 11.577 -6.383 734 HG2 PRO 96 1HG PRO 96 8.764 12.106 -7.428 735 HG3 PRO 96 2HG PRO 96 7.783 13.097 -6.318 736 HD2 PRO 96 1HD PRO 96 9.773 11.338 -5.485 737 HD3 PRO 96 2HD PRO 96 8.373 11.771 -4.479 738 H ASP 97 H ASP 97 9.735 10.047 -7.315 739 HA ASP 97 HA ASP 97 9.615 9.238 -10.000 740 HB2 ASP 97 1HB ASP 97 11.563 10.247 -8.414 741 HB3 ASP 97 2HB ASP 97 12.035 8.528 -8.378 742 H SER 98 H SER 98 10.575 7.389 -7.090 743 HA SER 98 HA SER 98 10.870 4.926 -8.360 744 HB2 SER 98 1HB SER 98 10.291 5.602 -5.439 745 HB3 SER 98 2HB SER 98 11.118 4.149 -6.046 746 HG SER 98 HG SER 98 12.833 5.269 -6.593 747 H TYR 99 H TYR 99 8.055 6.588 -7.021 748 HA TYR 99 HA TYR 99 6.193 4.409 -6.822 749 HB2 TYR 99 1HB TYR 99 6.048 6.728 -5.770 750 HB3 TYR 99 2HB TYR 99 5.614 7.351 -7.353 751 HD1 TYR 99 2HD TYR 99 3.481 6.665 -8.474 752 HD2 TYR 99 1HD TYR 99 4.447 5.823 -4.351 753 HE1 TYR 99 2HE TYR 99 1.128 6.118 -8.042 754 HE2 TYR 99 1HE TYR 99 2.090 5.347 -3.912 755 HH TYR 99 HH TYR 99 -0.182 4.832 -6.599 756 H HIS 100 H HIS 100 7.060 6.733 -9.429 757 HA HIS 100 HA HIS 100 5.197 5.689 -11.361 758 HB2 HIS 100 1HB HIS 100 7.838 7.120 -11.803 759 HB3 HIS 100 2HB HIS 100 6.532 6.961 -12.971 760 HD1 HIS 100 1HD HIS 100 7.866 9.767 -11.349 761 HD2 HIS 100 2HD HIS 100 4.027 7.932 -11.254 762 HE1 HIS 100 1HE HIS 100 6.225 11.530 -10.707 763 H ARG 101 H ARG 101 7.986 4.246 -10.035 764 HA ARG 101 HA ARG 101 8.582 2.665 -12.496 765 HB2 ARG 101 1HB ARG 101 10.313 3.140 -10.017 766 HB3 ARG 101 2HB ARG 101 10.740 2.171 -11.419 767 HG2 ARG 101 1HG ARG 101 10.244 4.378 -12.769 768 HG3 ARG 101 2HG ARG 101 10.465 5.152 -11.233 769 HD2 ARG 101 1HD ARG 101 12.551 5.247 -12.375 770 HD3 ARG 101 2HD ARG 101 12.704 4.176 -10.976 771 HE ARG 101 HE ARG 101 13.275 2.492 -12.375 772 HH11 ARG 101 1HH1 ARG 101 11.557 4.866 -14.394 773 HH12 ARG 101 2HH1 ARG 101 11.450 3.854 -15.781 774 HH21 ARG 101 1HH2 ARG 101 12.939 1.079 -14.020 775 HH22 ARG 101 2HH2 ARG 101 12.083 1.521 -15.479 776 H ARG 102 H ARG 102 9.758 0.515 -11.355 777 HA ARG 102 HA ARG 102 7.890 -0.622 -9.354 778 HB2 ARG 102 1HB ARG 102 7.754 -1.903 -11.478 779 HB3 ARG 102 2HB ARG 102 9.491 -2.061 -11.501 780 HG2 ARG 102 1HG ARG 102 9.176 -4.029 -10.495 781 HG3 ARG 102 2HG ARG 102 9.021 -3.085 -9.017 782 HD2 ARG 102 1HD ARG 102 6.581 -2.823 -9.658 783 HD3 ARG 102 2HD ARG 102 6.808 -4.148 -10.795 784 HE ARG 102 HE ARG 102 7.270 -4.303 -7.822 785 HH11 ARG 102 1HH1 ARG 102 6.962 -6.154 -10.827 786 HH12 ARG 102 2HH1 ARG 102 6.578 -7.634 -10.003 787 HH21 ARG 102 1HH2 ARG 102 7.077 -6.198 -6.811 788 HH22 ARG 102 2HH2 ARG 102 6.515 -7.650 -7.634 789 H ASP 103 H ASP 103 9.294 0.925 -8.067 790 HA ASP 103 HA ASP 103 11.717 -0.527 -7.225 791 HB2 ASP 103 1HB ASP 103 12.151 1.502 -8.960 792 HB3 ASP 103 2HB ASP 103 12.038 2.446 -7.495 793 H PHE 104 H PHE 104 10.800 -1.141 -5.270 794 HA PHE 104 HA PHE 104 9.757 1.023 -3.532 795 HB2 PHE 104 1HB PHE 104 8.429 -1.642 -3.653 796 HB3 PHE 104 2HB PHE 104 7.781 -0.118 -3.078 797 HD1 PHE 104 2HD PHE 104 7.846 1.701 -5.361 798 HD2 PHE 104 1HD PHE 104 7.144 -2.550 -5.286 799 HE1 PHE 104 2HE PHE 104 6.637 1.861 -7.511 800 HE2 PHE 104 1HE PHE 104 5.868 -2.373 -7.409 801 HZ PHE 104 HZ PHE 104 5.650 -0.183 -8.548 802 H TRP 105 H TRP 105 9.960 0.506 -1.225 803 HA TRP 105 HA TRP 105 10.941 -2.000 -0.332 804 HB2 TRP 105 1HB TRP 105 12.814 0.241 -0.902 805 HB3 TRP 105 2HB TRP 105 12.813 -0.218 0.783 806 HD1 TRP 105 HD TRP 105 12.555 -3.419 0.209 807 HE1 TRP 105 1HE TRP 105 14.716 -4.655 -0.421 808 HE3 TRP 105 3HE TRP 105 15.236 0.509 -1.706 809 HZ2 TRP 105 2HZ TRP 105 17.360 -3.973 -1.300 810 HZ3 TRP 105 3HZ TRP 105 17.588 0.197 -2.374 811 HH2 TRP 105 HH TRP 105 18.673 -2.075 -2.119 Start of MODEL 6 1 H1 GLY 1 H GLY 1 13.967 12.247 5.840 2 HA2 GLY 1 1HA GLY 1 15.471 11.936 3.971 3 HA3 GLY 1 2HA GLY 1 13.842 12.298 3.362 4 H GLY 2 H GLY 2 14.333 13.414 1.475 5 HA2 GLY 2 1HA GLY 2 16.171 15.731 1.548 6 HA3 GLY 2 2HA GLY 2 15.299 15.053 0.160 7 H HIS 3 H HIS 3 12.912 15.278 0.143 8 HA HIS 3 HA HIS 3 11.912 17.747 1.442 9 HB2 HIS 3 1HB HIS 3 11.219 18.475 -0.835 10 HB3 HIS 3 2HB HIS 3 12.959 18.369 -0.666 11 HD1 HIS 3 1HD HIS 3 14.166 16.220 -2.055 12 HD2 HIS 3 2HD HIS 3 10.064 16.995 -2.679 13 HE1 HIS 3 1HE HIS 3 13.456 14.817 -4.038 14 HA PRO 4 HA PRO 4 8.086 15.322 1.485 15 HB2 PRO 4 1HB PRO 4 6.171 17.300 1.323 16 HB3 PRO 4 2HB PRO 4 7.183 17.060 2.774 17 HG2 PRO 4 1HG PRO 4 7.606 19.013 0.478 18 HG3 PRO 4 2HG PRO 4 7.609 19.361 2.235 19 HD2 PRO 4 1HD PRO 4 9.887 18.955 0.828 20 HD3 PRO 4 2HD PRO 4 9.711 18.345 2.499 21 H THR 5 H THR 5 6.700 14.354 -0.115 22 HA THR 5 HA THR 5 6.583 15.734 -2.776 23 HB THR 5 HB THR 5 7.265 13.858 -3.957 24 HG1 THR 5 1HG THR 5 7.582 11.847 -2.420 25 HG21 THR 5 3HG2 THR 5 9.149 14.766 -2.603 26 HG22 THR 5 1HG2 THR 5 9.369 13.082 -3.073 27 HG23 THR 5 2HG2 THR 5 8.903 13.465 -1.421 28 H GLU 6 H GLU 6 4.783 14.678 -4.178 29 HA GLU 6 HA GLU 6 2.397 14.293 -2.511 30 HB2 GLU 6 1HB GLU 6 1.126 14.205 -4.587 31 HB3 GLU 6 2HB GLU 6 1.978 15.691 -4.303 32 HG2 GLU 6 1HG GLU 6 3.410 13.725 -6.039 33 HG3 GLU 6 2HG GLU 6 1.909 14.402 -6.687 34 H VAL 7 H VAL 7 4.775 12.195 -2.932 35 HA VAL 7 HA VAL 7 2.939 9.879 -3.307 36 HB VAL 7 HB VAL 7 5.973 9.826 -3.123 37 HG11 VAL 7 1HG1 VAL 7 4.755 7.707 -2.545 38 HG12 VAL 7 2HG1 VAL 7 3.957 7.766 -4.128 39 HG13 VAL 7 3HG1 VAL 7 5.724 7.571 -4.016 40 HG21 VAL 7 3HG2 VAL 7 4.096 10.114 -5.498 41 HG22 VAL 7 1HG2 VAL 7 5.597 11.011 -5.153 42 HG23 VAL 7 2HG2 VAL 7 5.683 9.326 -5.665 43 H LEU 8 H LEU 8 2.150 8.976 -1.514 44 HA LEU 8 HA LEU 8 3.429 9.511 1.141 45 HB2 LEU 8 1HB LEU 8 0.727 9.878 0.295 46 HB3 LEU 8 2HB LEU 8 0.716 8.443 1.303 47 HG LEU 8 HG LEU 8 2.033 10.983 2.290 48 HD11 LEU 8 1HD1 LEU 8 -0.284 11.555 1.557 49 HD12 LEU 8 2HD1 LEU 8 -0.056 11.688 3.302 50 HD13 LEU 8 3HD1 LEU 8 -0.913 10.285 2.617 51 HD21 LEU 8 3HD2 LEU 8 0.610 8.730 3.756 52 HD22 LEU 8 1HD2 LEU 8 1.368 10.163 4.495 53 HD23 LEU 8 2HD2 LEU 8 2.366 8.939 3.659 54 H CYS 9 H CYS 9 3.882 7.667 2.382 55 HA CYS 9 HA CYS 9 3.583 5.021 1.065 56 HB2 CYS 9 1HB CYS 9 5.922 6.056 1.671 57 HB3 CYS 9 2HB CYS 9 5.486 5.663 3.336 58 HG CYS 9 HG CYS 9 7.110 3.854 2.031 59 H LEU 10 H LEU 10 2.582 3.458 2.268 60 HA LEU 10 HA LEU 10 1.395 4.177 4.899 61 HB2 LEU 10 1HB LEU 10 0.062 3.005 2.433 62 HB3 LEU 10 2HB LEU 10 -0.695 3.205 4.008 63 HG LEU 10 HG LEU 10 0.286 5.575 2.383 64 HD11 LEU 10 1HD1 LEU 10 -2.364 4.104 2.423 65 HD12 LEU 10 2HD1 LEU 10 -1.328 4.444 1.039 66 HD13 LEU 10 3HD1 LEU 10 -2.188 5.777 1.829 67 HD21 LEU 10 3HD2 LEU 10 -1.183 6.841 3.861 68 HD22 LEU 10 1HD2 LEU 10 -0.046 5.914 4.844 69 HD23 LEU 10 2HD2 LEU 10 -1.726 5.352 4.674 70 H MET 11 H MET 11 1.694 2.519 6.331 71 HA MET 11 HA MET 11 2.195 -0.232 5.263 72 HB2 MET 11 1HB MET 11 3.746 1.163 7.471 73 HB3 MET 11 2HB MET 11 3.951 -0.494 6.962 74 HG2 MET 11 1HG MET 11 5.654 0.538 5.760 75 HG3 MET 11 2HG MET 11 4.374 0.557 4.579 76 HE1 MET 11 3HE MET 11 5.646 4.295 7.031 77 HE2 MET 11 1HE MET 11 5.389 2.678 7.704 78 HE3 MET 11 2HE MET 11 6.835 3.016 6.725 79 H ASN 12 H ASN 12 1.806 -1.912 6.760 80 HA ASN 12 HA ASN 12 0.487 -3.133 8.050 81 HB2 ASN 12 1HB ASN 12 -0.354 -0.752 9.661 82 HB3 ASN 12 2HB ASN 12 -0.596 -2.451 10.045 83 HD21 ASN 12 1HD2 ASN 12 0.868 -0.220 11.451 84 HD22 ASN 12 2HD2 ASN 12 2.556 -0.745 11.576 85 H MET 13 H MET 13 -0.557 -3.289 5.984 86 HA MET 13 HA MET 13 -3.296 -2.180 5.912 87 HB2 MET 13 1HB MET 13 -1.173 -1.266 4.208 88 HB3 MET 13 2HB MET 13 -2.203 -2.255 3.199 89 HG2 MET 13 1HG MET 13 -3.769 -0.685 3.088 90 HG3 MET 13 2HG MET 13 -3.836 -0.508 4.827 91 HE1 MET 13 3HE MET 13 -2.227 0.563 6.160 92 HE2 MET 13 1HE MET 13 -0.626 0.669 5.421 93 HE3 MET 13 2HE MET 13 -1.530 2.153 5.813 94 H VAL 14 H VAL 14 -1.244 -4.122 3.674 95 HA VAL 14 HA VAL 14 -3.293 -6.263 3.731 96 HB VAL 14 HB VAL 14 -2.320 -6.706 1.443 97 HG11 VAL 14 1HG1 VAL 14 -3.644 -5.062 0.266 98 HG12 VAL 14 2HG1 VAL 14 -4.496 -5.607 1.712 99 HG13 VAL 14 3HG1 VAL 14 -3.706 -4.022 1.712 100 HG21 VAL 14 3HG2 VAL 14 -1.211 -3.865 1.602 101 HG22 VAL 14 1HG2 VAL 14 -0.205 -5.323 1.701 102 HG23 VAL 14 2HG2 VAL 14 -1.137 -4.986 0.239 103 H LEU 15 H LEU 15 -2.591 -8.435 3.762 104 HA LEU 15 HA LEU 15 0.210 -8.837 4.694 105 HB2 LEU 15 1HB LEU 15 -2.213 -10.639 5.090 106 HB3 LEU 15 2HB LEU 15 -0.637 -10.800 5.843 107 HG LEU 15 HG LEU 15 -2.650 -8.566 6.349 108 HD11 LEU 15 1HD1 LEU 15 -1.680 -10.908 8.046 109 HD12 LEU 15 2HD1 LEU 15 -3.291 -10.700 7.343 110 HD13 LEU 15 3HD1 LEU 15 -2.761 -9.598 8.611 111 HD21 LEU 15 3HD2 LEU 15 -0.328 -7.710 6.533 112 HD22 LEU 15 1HD2 LEU 15 0.056 -9.022 7.675 113 HD23 LEU 15 2HD2 LEU 15 -1.178 -7.767 8.057 114 HA PRO 16 HA PRO 16 0.934 -11.276 1.036 115 HB2 PRO 16 1HB PRO 16 2.729 -13.174 1.885 116 HB3 PRO 16 2HB PRO 16 3.123 -11.442 1.715 117 HG2 PRO 16 1HG PRO 16 2.275 -12.898 4.241 118 HG3 PRO 16 2HG PRO 16 3.708 -11.844 4.006 119 HD2 PRO 16 1HD PRO 16 1.431 -10.861 5.065 120 HD3 PRO 16 2HD PRO 16 2.362 -9.886 3.895 121 H GLU 17 H GLU 17 -1.071 -12.215 3.340 122 HA GLU 17 HA GLU 17 -1.670 -14.909 2.348 123 HB2 GLU 17 1HB GLU 17 -2.044 -15.626 4.695 124 HB3 GLU 17 2HB GLU 17 -0.373 -15.345 4.198 125 HG2 GLU 17 1HG GLU 17 -0.399 -13.133 5.363 126 HG3 GLU 17 2HG GLU 17 -2.051 -13.471 5.886 127 H GLU 18 H GLU 18 -2.839 -11.829 2.597 128 HA GLU 18 HA GLU 18 -5.606 -12.931 2.432 129 HB2 GLU 18 1HB GLU 18 -6.549 -11.103 3.527 130 HB3 GLU 18 2HB GLU 18 -5.254 -11.692 4.568 131 HG2 GLU 18 1HG GLU 18 -3.796 -9.832 3.698 132 HG3 GLU 18 2HG GLU 18 -5.135 -9.244 2.735 133 H LEU 19 H LEU 19 -3.099 -11.150 0.994 134 HA LEU 19 HA LEU 19 -4.884 -9.306 -0.526 135 HB2 LEU 19 1HB LEU 19 -3.156 -7.885 -0.360 136 HB3 LEU 19 2HB LEU 19 -2.518 -9.046 0.749 137 HG LEU 19 HG LEU 19 -1.397 -9.957 -1.194 138 HD11 LEU 19 1HD1 LEU 19 -1.035 -7.243 -2.362 139 HD12 LEU 19 2HD1 LEU 19 -2.744 -7.700 -2.398 140 HD13 LEU 19 3HD1 LEU 19 -1.576 -8.761 -3.127 141 HD21 LEU 19 3HD2 LEU 19 0.510 -8.188 -0.861 142 HD22 LEU 19 1HD2 LEU 19 -0.128 -8.952 0.611 143 HD23 LEU 19 2HD2 LEU 19 -0.644 -7.326 0.134 144 H LEU 20 H LEU 20 -4.782 -12.271 -1.134 145 HA LEU 20 HA LEU 20 -3.280 -12.385 -3.693 146 HB2 LEU 20 1HB LEU 20 -4.638 -14.613 -2.139 147 HB3 LEU 20 2HB LEU 20 -3.542 -14.750 -3.505 148 HG LEU 20 HG LEU 20 -2.145 -13.147 -1.627 149 HD11 LEU 20 1HD1 LEU 20 -2.082 -14.483 0.365 150 HD12 LEU 20 2HD1 LEU 20 -3.322 -15.587 -0.261 151 HD13 LEU 20 3HD1 LEU 20 -3.733 -13.897 0.119 152 HD21 LEU 20 3HD2 LEU 20 -0.576 -14.976 -1.554 153 HD22 LEU 20 1HD2 LEU 20 -1.179 -14.698 -3.223 154 HD23 LEU 20 2HD2 LEU 20 -1.781 -16.076 -2.271 155 H ASP 21 H ASP 21 -6.634 -12.283 -2.630 156 HA ASP 21 HA ASP 21 -7.607 -13.818 -4.921 157 HB2 ASP 21 1HB ASP 21 -8.874 -12.563 -2.480 158 HB3 ASP 21 2HB ASP 21 -9.851 -13.187 -3.808 159 H ASP 22 H ASP 22 -8.540 -12.958 -6.739 160 HA ASP 22 HA ASP 22 -7.936 -10.248 -7.401 161 HB2 ASP 22 1HB ASP 22 -8.229 -12.421 -8.886 162 HB3 ASP 22 2HB ASP 22 -9.908 -11.901 -8.991 163 H GLU 23 H GLU 23 -10.655 -11.654 -5.880 164 HA GLU 23 HA GLU 23 -12.536 -9.428 -6.233 165 HB2 GLU 23 1HB GLU 23 -12.487 -11.946 -4.558 166 HB3 GLU 23 2HB GLU 23 -13.720 -10.696 -4.351 167 HG2 GLU 23 1HG GLU 23 -13.160 -12.002 -7.049 168 HG3 GLU 23 2HG GLU 23 -14.265 -12.661 -5.869 169 H GLU 24 H GLU 24 -11.028 -10.972 -3.372 170 HA GLU 24 HA GLU 24 -11.667 -9.056 -1.622 171 HB2 GLU 24 1HB GLU 24 -10.751 -11.504 -1.423 172 HB3 GLU 24 2HB GLU 24 -9.175 -10.741 -1.207 173 HG2 GLU 24 1HG GLU 24 -9.710 -9.957 0.904 174 HG3 GLU 24 2HG GLU 24 -11.395 -9.663 0.454 175 H TYR 25 H TYR 25 -8.571 -9.158 -3.450 176 HA TYR 25 HA TYR 25 -7.175 -7.033 -2.340 177 HB2 TYR 25 1HB TYR 25 -6.382 -8.558 -4.090 178 HB3 TYR 25 2HB TYR 25 -7.603 -7.978 -5.206 179 HD1 TYR 25 2HD TYR 25 -4.475 -7.189 -3.517 180 HD2 TYR 25 1HD TYR 25 -7.324 -5.901 -6.437 181 HE1 TYR 25 2HE TYR 25 -2.755 -5.617 -4.514 182 HE2 TYR 25 1HE TYR 25 -5.693 -4.318 -7.413 183 HH TYR 25 HH TYR 25 -3.269 -3.148 -6.536 184 H GLU 26 H GLU 26 -9.939 -6.904 -4.638 185 HA GLU 26 HA GLU 26 -9.423 -4.130 -5.302 186 HB2 GLU 26 1HB GLU 26 -10.897 -6.275 -6.487 187 HB3 GLU 26 2HB GLU 26 -12.111 -5.072 -6.008 188 HG2 GLU 26 1HG GLU 26 -10.533 -3.316 -7.080 189 HG3 GLU 26 2HG GLU 26 -9.640 -4.702 -7.704 190 H GLU 27 H GLU 27 -11.636 -5.901 -3.267 191 HA GLU 27 HA GLU 27 -13.430 -3.889 -2.420 192 HB2 GLU 27 1HB GLU 27 -12.149 -6.071 -0.737 193 HB3 GLU 27 2HB GLU 27 -13.640 -5.217 -0.337 194 HG2 GLU 27 1HG GLU 27 -14.716 -6.222 -2.357 195 HG3 GLU 27 2HG GLU 27 -13.225 -7.097 -2.701 196 H ILE 28 H ILE 28 -10.243 -4.790 -1.175 197 HA ILE 28 HA ILE 28 -10.066 -2.881 0.936 198 HB ILE 28 HB ILE 28 -7.901 -4.361 -0.632 199 HG12 ILE 28 1HG1 ILE 28 -8.913 -5.101 2.140 200 HG13 ILE 28 2HG1 ILE 28 -9.667 -5.741 0.689 201 HG21 ILE 28 1HG2 ILE 28 -6.900 -2.468 0.541 202 HG22 ILE 28 2HG2 ILE 28 -7.838 -2.812 2.001 203 HG23 ILE 28 3HG2 ILE 28 -6.530 -3.913 1.480 204 HD11 ILE 28 3HD1 ILE 28 -6.777 -6.165 1.519 205 HD12 ILE 28 1HD1 ILE 28 -8.085 -7.352 1.495 206 HD13 ILE 28 2HD1 ILE 28 -7.471 -6.690 -0.029 207 H VAL 29 H VAL 29 -8.984 -2.816 -2.499 208 HA VAL 29 HA VAL 29 -7.450 -0.447 -2.252 209 HB VAL 29 HB VAL 29 -8.914 -1.446 -4.730 210 HG11 VAL 29 1HG1 VAL 29 -6.526 0.429 -4.489 211 HG12 VAL 29 2HG1 VAL 29 -7.226 -0.187 -6.005 212 HG13 VAL 29 3HG1 VAL 29 -8.172 0.895 -4.988 213 HG21 VAL 29 3HG2 VAL 29 -6.111 -1.982 -4.932 214 HG22 VAL 29 1HG2 VAL 29 -6.619 -2.577 -3.343 215 HG23 VAL 29 2HG2 VAL 29 -7.436 -3.131 -4.811 216 H GLU 30 H GLU 30 -10.922 -0.922 -3.078 217 HA GLU 30 HA GLU 30 -11.266 1.889 -3.566 218 HB2 GLU 30 1HB GLU 30 -13.348 -0.293 -3.162 219 HB3 GLU 30 2HB GLU 30 -13.658 1.375 -3.675 220 HG2 GLU 30 1HG GLU 30 -11.940 0.810 -5.581 221 HG3 GLU 30 2HG GLU 30 -12.381 -0.864 -5.217 222 H ASP 31 H ASP 31 -11.787 -0.099 -0.695 223 HA ASP 31 HA ASP 31 -13.586 1.692 0.654 224 HB2 ASP 31 1HB ASP 31 -12.860 -0.746 1.309 225 HB3 ASP 31 2HB ASP 31 -11.461 0.002 2.034 226 H VAL 32 H VAL 32 -10.107 1.423 0.462 227 HA VAL 32 HA VAL 32 -9.546 3.685 2.240 228 HB VAL 32 HB VAL 32 -7.930 1.966 0.322 229 HG11 VAL 32 1HG1 VAL 32 -6.962 4.128 2.208 230 HG12 VAL 32 2HG1 VAL 32 -5.902 2.912 1.436 231 HG13 VAL 32 3HG1 VAL 32 -6.773 4.097 0.442 232 HG21 VAL 32 3HG2 VAL 32 -8.037 1.990 3.356 233 HG22 VAL 32 1HG2 VAL 32 -8.703 0.741 2.279 234 HG23 VAL 32 2HG2 VAL 32 -6.962 0.973 2.356 235 H ARG 33 H ARG 33 -10.013 3.141 -1.284 236 HA ARG 33 HA ARG 33 -9.064 5.778 -1.933 237 HB2 ARG 33 1HB ARG 33 -9.220 3.954 -3.638 238 HB3 ARG 33 2HB ARG 33 -10.987 4.052 -3.580 239 HG2 ARG 33 1HG ARG 33 -11.051 6.138 -4.666 240 HG3 ARG 33 2HG ARG 33 -9.430 6.553 -4.139 241 HD2 ARG 33 1HD ARG 33 -9.144 6.279 -6.382 242 HD3 ARG 33 2HD ARG 33 -8.559 4.743 -5.733 243 HE ARG 33 HE ARG 33 -11.284 4.370 -6.398 244 HH11 ARG 33 1HH1 ARG 33 -8.266 5.207 -8.173 245 HH12 ARG 33 2HH1 ARG 33 -8.814 4.422 -9.612 246 HH21 ARG 33 1HH2 ARG 33 -11.993 3.591 -8.406 247 HH22 ARG 33 2HH2 ARG 33 -10.953 3.628 -9.785 248 H ASP 34 H ASP 34 -12.110 4.675 -0.573 249 HA ASP 34 HA ASP 34 -13.484 7.225 -1.020 250 HB2 ASP 34 1HB ASP 34 -14.878 5.370 -0.436 251 HB3 ASP 34 2HB ASP 34 -13.911 4.991 0.992 252 H GLU 35 H GLU 35 -11.803 5.726 1.803 253 HA GLU 35 HA GLU 35 -12.141 8.018 3.330 254 HB2 GLU 35 1HB GLU 35 -11.098 6.947 4.997 255 HB3 GLU 35 2HB GLU 35 -11.415 5.564 3.974 256 HG2 GLU 35 1HG GLU 35 -9.028 5.602 3.198 257 HG3 GLU 35 2HG GLU 35 -8.751 7.074 4.128 258 H CYS 36 H CYS 36 -9.428 7.227 1.243 259 HA CYS 36 HA CYS 36 -7.701 9.307 2.223 260 HB2 CYS 36 1HB CYS 36 -7.165 7.068 1.037 261 HB3 CYS 36 2HB CYS 36 -7.542 7.921 -0.470 262 HG CYS 36 HG CYS 36 -5.036 7.898 -0.406 263 H SER 37 H SER 37 -10.346 9.241 -0.095 264 HA SER 37 HA SER 37 -9.739 11.615 -1.586 265 HB2 SER 37 1HB SER 37 -11.406 9.708 -2.090 266 HB3 SER 37 2HB SER 37 -12.497 10.505 -0.949 267 HG SER 37 HG SER 37 -12.514 12.286 -2.257 268 H LYS 38 H LYS 38 -10.937 11.058 1.698 269 HA LYS 38 HA LYS 38 -12.246 13.564 2.080 270 HB2 LYS 38 1HB LYS 38 -10.770 11.820 4.072 271 HB3 LYS 38 2HB LYS 38 -11.919 13.077 4.503 272 HG2 LYS 38 1HG LYS 38 -13.717 11.855 3.480 273 HG3 LYS 38 2HG LYS 38 -12.641 10.625 2.822 274 HD2 LYS 38 1HD LYS 38 -11.997 9.870 5.044 275 HD3 LYS 38 2HD LYS 38 -12.990 11.135 5.808 276 HE2 LYS 38 1HE LYS 38 -15.015 10.195 4.984 277 HE3 LYS 38 2HE LYS 38 -14.183 9.129 3.852 278 HZ1 LYS 38 3HZ LYS 38 -13.803 8.815 6.758 279 HZ2 LYS 38 1HZ LYS 38 -13.602 7.691 5.548 280 HZ3 LYS 38 2HZ LYS 38 -15.074 8.131 5.981 281 H TYR 39 H TYR 39 -8.965 12.982 1.558 282 HA TYR 39 HA TYR 39 -8.103 15.472 2.980 283 HB2 TYR 39 1HB TYR 39 -6.510 12.931 2.543 284 HB3 TYR 39 2HB TYR 39 -5.971 14.382 3.387 285 HD1 TYR 39 1HD TYR 39 -8.229 11.442 3.561 286 HD2 TYR 39 2HD TYR 39 -6.665 14.855 5.707 287 HE1 TYR 39 1HE TYR 39 -9.395 10.696 5.583 288 HE2 TYR 39 2HE TYR 39 -7.876 14.112 7.741 289 HH TYR 39 HH TYR 39 -9.843 11.107 7.812 290 H GLY 40 H GLY 40 -8.695 14.558 -0.121 291 HA2 GLY 40 1HA GLY 40 -7.537 16.518 -1.573 292 HA3 GLY 40 2HA GLY 40 -6.183 15.382 -1.351 293 H LEU 41 H LEU 41 -6.047 14.311 -3.289 294 HA LEU 41 HA LEU 41 -8.278 12.492 -3.784 295 HB2 LEU 41 1HB LEU 41 -8.772 14.323 -5.242 296 HB3 LEU 41 2HB LEU 41 -7.121 14.411 -5.786 297 HG LEU 41 HG LEU 41 -8.958 13.419 -7.308 298 HD11 LEU 41 1HD1 LEU 41 -6.824 13.197 -8.164 299 HD12 LEU 41 2HD1 LEU 41 -7.504 11.577 -8.251 300 HD13 LEU 41 3HD1 LEU 41 -6.334 11.962 -6.989 301 HD21 LEU 41 3HD2 LEU 41 -9.881 11.934 -5.476 302 HD22 LEU 41 1HD2 LEU 41 -8.479 10.869 -5.723 303 HD23 LEU 41 2HD2 LEU 41 -9.624 11.137 -7.036 304 H VAL 42 H VAL 42 -7.411 10.651 -3.639 305 HA VAL 42 HA VAL 42 -4.609 10.007 -4.010 306 HB VAL 42 HB VAL 42 -5.543 8.755 -2.342 307 HG11 VAL 42 1HG1 VAL 42 -7.638 7.367 -2.577 308 HG12 VAL 42 2HG1 VAL 42 -7.914 9.104 -2.538 309 HG13 VAL 42 3HG1 VAL 42 -7.952 8.257 -4.105 310 HG21 VAL 42 3HG2 VAL 42 -4.323 7.431 -4.141 311 HG22 VAL 42 1HG2 VAL 42 -5.375 6.492 -3.051 312 HG23 VAL 42 2HG2 VAL 42 -5.904 6.876 -4.703 313 H LYS 43 H LYS 43 -3.869 10.133 -5.828 314 HA LYS 43 HA LYS 43 -5.243 10.195 -8.376 315 HB2 LYS 43 1HB LYS 43 -3.226 11.553 -7.766 316 HB3 LYS 43 2HB LYS 43 -2.247 10.090 -7.725 317 HG2 LYS 43 1HG LYS 43 -2.598 9.691 -10.090 318 HG3 LYS 43 2HG LYS 43 -3.789 10.995 -10.167 319 HD2 LYS 43 1HD LYS 43 -2.053 12.673 -9.673 320 HD3 LYS 43 2HD LYS 43 -0.844 11.393 -9.503 321 HE2 LYS 43 1HE LYS 43 -1.412 10.687 -11.901 322 HE3 LYS 43 2HE LYS 43 -2.404 12.156 -12.014 323 HZ1 LYS 43 3HZ LYS 43 -0.299 13.376 -11.412 324 HZ2 LYS 43 1HZ LYS 43 -0.275 12.684 -12.895 325 HZ3 LYS 43 2HZ LYS 43 0.527 12.010 -11.615 326 H SER 44 H SER 44 -2.814 7.960 -6.962 327 HA SER 44 HA SER 44 -4.091 5.659 -8.235 328 HB2 SER 44 1HB SER 44 -1.261 6.583 -8.899 329 HB3 SER 44 2HB SER 44 -1.786 4.898 -9.090 330 HG SER 44 HG SER 44 -3.432 5.559 -10.429 331 H ILE 45 H ILE 45 -3.051 3.595 -7.466 332 HA ILE 45 HA ILE 45 -1.844 3.793 -4.781 333 HB ILE 45 HB ILE 45 -4.340 2.192 -5.499 334 HG12 ILE 45 1HG1 ILE 45 -4.444 4.178 -3.247 335 HG13 ILE 45 2HG1 ILE 45 -4.406 4.852 -4.852 336 HG21 ILE 45 1HG2 ILE 45 -2.864 1.049 -3.869 337 HG22 ILE 45 2HG2 ILE 45 -2.867 2.491 -2.841 338 HG23 ILE 45 3HG2 ILE 45 -4.359 1.569 -3.108 339 HD11 ILE 45 3HD1 ILE 45 -6.425 2.779 -3.926 340 HD12 ILE 45 1HD1 ILE 45 -6.719 4.518 -4.078 341 HD13 ILE 45 2HD1 ILE 45 -6.377 3.547 -5.525 342 H GLU 46 H GLU 46 -0.340 2.274 -4.572 343 HA GLU 46 HA GLU 46 -0.091 0.192 -6.692 344 HB2 GLU 46 1HB GLU 46 1.428 2.425 -6.439 345 HB3 GLU 46 2HB GLU 46 2.359 1.335 -5.438 346 HG2 GLU 46 1HG GLU 46 3.248 0.433 -7.277 347 HG3 GLU 46 2HG GLU 46 1.667 -0.134 -7.812 348 H ILE 47 H ILE 47 -0.491 -1.760 -5.835 349 HA ILE 47 HA ILE 47 0.470 -2.423 -3.119 350 HB ILE 47 HB ILE 47 -2.071 -3.401 -4.416 351 HG12 ILE 47 1HG1 ILE 47 -1.664 -1.104 -2.489 352 HG13 ILE 47 2HG1 ILE 47 -2.308 -1.033 -4.120 353 HG21 ILE 47 1HG2 ILE 47 -0.957 -4.839 -2.645 354 HG22 ILE 47 2HG2 ILE 47 -1.116 -3.465 -1.520 355 HG23 ILE 47 3HG2 ILE 47 -2.553 -4.268 -2.187 356 HD11 ILE 47 3HD1 ILE 47 -4.236 -2.426 -3.438 357 HD12 ILE 47 1HD1 ILE 47 -3.666 -2.334 -1.752 358 HD13 ILE 47 2HD1 ILE 47 -4.140 -0.856 -2.600 359 HA PRO 48 HA PRO 48 2.403 -5.352 -6.140 360 HB2 PRO 48 1HB PRO 48 4.606 -6.006 -4.634 361 HB3 PRO 48 2HB PRO 48 4.510 -4.557 -5.678 362 HG2 PRO 48 1HG PRO 48 4.080 -4.749 -2.705 363 HG3 PRO 48 2HG PRO 48 4.968 -3.487 -3.618 364 HD2 PRO 48 1HD PRO 48 2.413 -3.181 -2.700 365 HD3 PRO 48 2HD PRO 48 3.003 -2.374 -4.180 366 H ARG 49 H ARG 49 1.673 -7.439 -6.172 367 HA ARG 49 HA ARG 49 0.404 -8.440 -3.689 368 HB2 ARG 49 1HB ARG 49 0.183 -9.251 -6.604 369 HB3 ARG 49 2HB ARG 49 -0.602 -10.159 -5.331 370 HG2 ARG 49 1HG ARG 49 -2.292 -8.669 -5.080 371 HG3 ARG 49 2HG ARG 49 -1.228 -7.269 -5.210 372 HD2 ARG 49 1HD ARG 49 -2.854 -7.256 -6.951 373 HD3 ARG 49 2HD ARG 49 -1.240 -7.504 -7.648 374 HE ARG 49 HE ARG 49 -3.007 -9.855 -7.086 375 HH11 ARG 49 1HH1 ARG 49 -2.206 -7.544 -9.515 376 HH12 ARG 49 2HH1 ARG 49 -2.270 -8.627 -10.844 377 HH21 ARG 49 1HH2 ARG 49 -3.537 -11.165 -8.816 378 HH22 ARG 49 2HH2 ARG 49 -3.217 -10.723 -10.442 379 HA PRO 50 HA PRO 50 3.538 -11.416 -2.968 380 HB2 PRO 50 1HB PRO 50 2.229 -13.509 -1.830 381 HB3 PRO 50 2HB PRO 50 2.446 -11.958 -1.003 382 HG2 PRO 50 1HG PRO 50 0.041 -12.890 -2.562 383 HG3 PRO 50 2HG PRO 50 0.062 -12.168 -0.940 384 HD2 PRO 50 1HD PRO 50 -0.532 -10.712 -3.072 385 HD3 PRO 50 2HD PRO 50 0.441 -9.998 -1.850 386 H VAL 51 H VAL 51 4.572 -12.980 -4.118 387 HA VAL 51 HA VAL 51 3.140 -14.276 -6.387 388 HB VAL 51 HB VAL 51 6.077 -14.353 -5.600 389 HG11 VAL 51 1HG1 VAL 51 6.393 -15.358 -7.856 390 HG12 VAL 51 2HG1 VAL 51 5.375 -16.390 -6.842 391 HG13 VAL 51 3HG1 VAL 51 4.635 -15.373 -8.092 392 HG21 VAL 51 3HG2 VAL 51 4.706 -12.893 -7.895 393 HG22 VAL 51 1HG2 VAL 51 5.313 -12.111 -6.433 394 HG23 VAL 51 2HG2 VAL 51 6.446 -12.905 -7.541 395 H ASP 52 H ASP 52 1.849 -15.814 -5.540 396 HA ASP 52 HA ASP 52 1.101 -17.632 -4.449 397 HB2 ASP 52 1HB ASP 52 2.802 -18.557 -6.025 398 HB3 ASP 52 2HB ASP 52 3.945 -18.637 -4.706 399 H GLY 53 H GLY 53 1.653 -15.609 -2.682 400 HA2 GLY 53 1HA GLY 53 1.656 -15.284 -0.410 401 HA3 GLY 53 2HA GLY 53 1.683 -17.030 -0.200 402 H VAL 54 H VAL 54 4.381 -15.982 -2.102 403 HA VAL 54 HA VAL 54 6.197 -16.069 0.243 404 HB VAL 54 HB VAL 54 6.851 -15.833 -2.715 405 HG11 VAL 54 1HG1 VAL 54 8.783 -15.331 -1.278 406 HG12 VAL 54 2HG1 VAL 54 8.504 -16.813 -0.344 407 HG13 VAL 54 3HG1 VAL 54 9.015 -16.900 -2.041 408 HG21 VAL 54 3HG2 VAL 54 7.267 -18.302 -2.696 409 HG22 VAL 54 1HG2 VAL 54 6.572 -18.382 -1.063 410 HG23 VAL 54 2HG2 VAL 54 5.565 -17.924 -2.454 411 H GLU 55 H GLU 55 7.822 -14.274 0.543 412 HA GLU 55 HA GLU 55 6.720 -11.699 0.149 413 HB2 GLU 55 1HB GLU 55 9.269 -12.689 1.318 414 HB3 GLU 55 2HB GLU 55 9.257 -11.067 0.622 415 HG2 GLU 55 1HG GLU 55 7.046 -10.712 1.911 416 HG3 GLU 55 2HG GLU 55 7.507 -12.100 2.874 417 H VAL 56 H VAL 56 7.198 -10.046 -1.109 418 HA VAL 56 HA VAL 56 9.243 -10.267 -3.210 419 HB VAL 56 HB VAL 56 7.300 -8.690 -4.326 420 HG11 VAL 56 1HG1 VAL 56 8.551 -10.633 -5.369 421 HG12 VAL 56 2HG1 VAL 56 7.434 -11.739 -4.564 422 HG13 VAL 56 3HG1 VAL 56 6.817 -10.613 -5.790 423 HG21 VAL 56 3HG2 VAL 56 5.152 -9.673 -4.247 424 HG22 VAL 56 1HG2 VAL 56 5.668 -10.898 -3.072 425 HG23 VAL 56 2HG2 VAL 56 5.600 -9.175 -2.620 426 HA PRO 57 HA PRO 57 10.439 -6.216 -1.830 427 HB2 PRO 57 1HB PRO 57 10.989 -4.872 -4.190 428 HB3 PRO 57 2HB PRO 57 12.062 -6.117 -3.450 429 HG2 PRO 57 1HG PRO 57 10.055 -6.417 -5.686 430 HG3 PRO 57 2HG PRO 57 11.720 -7.074 -5.583 431 HD2 PRO 57 1HD PRO 57 9.549 -8.590 -5.005 432 HD3 PRO 57 2HD PRO 57 11.076 -8.743 -4.082 433 H GLY 58 H GLY 58 9.204 -4.710 -1.064 434 HA2 GLY 58 1HA GLY 58 8.018 -2.710 -1.152 435 HA3 GLY 58 2HA GLY 58 7.337 -3.151 -2.722 436 H CYS 59 H CYS 59 7.063 -5.906 -0.957 437 HA CYS 59 HA CYS 59 4.239 -5.486 -0.547 438 HB2 CYS 59 1HB CYS 59 5.721 -7.645 -1.238 439 HB3 CYS 59 2HB CYS 59 5.729 -7.885 0.513 440 HG CYS 59 HG CYS 59 3.178 -7.947 0.870 441 H GLY 60 H GLY 60 3.135 -5.490 1.400 442 HA2 GLY 60 1HA GLY 60 2.772 -5.196 3.683 443 HA3 GLY 60 2HA GLY 60 4.505 -5.124 3.986 444 H LYS 61 H LYS 61 4.249 -3.160 1.363 445 HA LYS 61 HA LYS 61 3.472 -0.733 2.883 446 HB2 LYS 61 1HB LYS 61 5.297 -0.876 0.437 447 HB3 LYS 61 2HB LYS 61 4.890 0.540 1.406 448 HG2 LYS 61 1HG LYS 61 6.952 0.085 2.275 449 HG3 LYS 61 2HG LYS 61 5.992 -0.929 3.359 450 HD2 LYS 61 1HD LYS 61 6.427 -2.807 1.545 451 HD3 LYS 61 2HD LYS 61 7.694 -1.726 0.955 452 HE2 LYS 61 1HE LYS 61 8.825 -1.774 3.078 453 HE3 LYS 61 2HE LYS 61 7.441 -2.573 3.856 454 HZ1 LYS 61 3HZ LYS 61 7.845 -4.514 2.517 455 HZ2 LYS 61 1HZ LYS 61 9.173 -4.169 3.384 456 HZ3 LYS 61 2HZ LYS 61 9.152 -3.806 1.778 457 H ILE 62 H ILE 62 2.278 0.806 1.599 458 HA ILE 62 HA ILE 62 1.308 -0.021 -1.060 459 HB ILE 62 HB ILE 62 -0.370 1.127 1.207 460 HG12 ILE 62 1HG1 ILE 62 -0.418 -1.375 -0.529 461 HG13 ILE 62 2HG1 ILE 62 -0.311 -1.264 1.227 462 HG21 ILE 62 1HG2 ILE 62 -0.994 1.051 -1.785 463 HG22 ILE 62 2HG2 ILE 62 -2.126 1.530 -0.494 464 HG23 ILE 62 3HG2 ILE 62 -0.722 2.512 -0.813 465 HD11 ILE 62 3HD1 ILE 62 -2.652 -0.369 1.258 466 HD12 ILE 62 1HD1 ILE 62 -2.740 -0.653 -0.479 467 HD13 ILE 62 2HD1 ILE 62 -2.511 -2.025 0.608 468 H PHE 63 H PHE 63 1.862 1.568 -2.431 469 HA PHE 63 HA PHE 63 2.887 4.148 -1.323 470 HB2 PHE 63 1HB PHE 63 3.281 3.013 -4.116 471 HB3 PHE 63 2HB PHE 63 4.060 4.418 -3.391 472 HD1 PHE 63 1HD PHE 63 5.928 4.139 -1.774 473 HD2 PHE 63 2HD PHE 63 3.911 0.711 -3.436 474 HE1 PHE 63 1HE PHE 63 7.725 2.669 -0.931 475 HE2 PHE 63 2HE PHE 63 5.703 -0.762 -2.585 476 HZ PHE 63 HZ PHE 63 7.642 0.221 -1.342 477 H VAL 64 H VAL 64 1.583 5.933 -1.731 478 HA VAL 64 HA VAL 64 -0.658 5.574 -3.629 479 HB VAL 64 HB VAL 64 -1.385 5.216 -1.278 480 HG11 VAL 64 1HG1 VAL 64 -0.510 8.098 -0.864 481 HG12 VAL 64 2HG1 VAL 64 -1.606 7.230 0.212 482 HG13 VAL 64 3HG1 VAL 64 0.049 6.645 0.005 483 HG21 VAL 64 3HG2 VAL 64 -2.536 7.739 -2.501 484 HG22 VAL 64 1HG2 VAL 64 -2.911 6.063 -2.981 485 HG23 VAL 64 2HG2 VAL 64 -3.330 6.626 -1.357 486 H GLU 65 H GLU 65 -1.176 7.445 -4.753 487 HA GLU 65 HA GLU 65 0.963 9.521 -4.781 488 HB2 GLU 65 1HB GLU 65 0.859 7.739 -6.614 489 HB3 GLU 65 2HB GLU 65 -0.719 8.385 -7.062 490 HG2 GLU 65 1HG GLU 65 0.416 10.604 -7.452 491 HG3 GLU 65 2HG GLU 65 1.957 9.851 -7.077 492 H PHE 66 H PHE 66 0.208 11.655 -4.807 493 HA PHE 66 HA PHE 66 -2.751 12.037 -4.605 494 HB2 PHE 66 1HB PHE 66 -0.448 13.147 -3.009 495 HB3 PHE 66 2HB PHE 66 -1.842 14.153 -3.259 496 HD1 PHE 66 2HD PHE 66 -0.693 10.991 -1.717 497 HD2 PHE 66 1HD PHE 66 -3.991 13.724 -2.255 498 HE1 PHE 66 2HE PHE 66 -1.852 10.003 0.257 499 HE2 PHE 66 1HE PHE 66 -5.121 12.756 -0.265 500 HZ PHE 66 HZ PHE 66 -4.025 10.935 1.010 501 H THR 67 H THR 67 -3.484 14.251 -5.100 502 HA THR 67 HA THR 67 -2.666 15.111 -7.629 503 HB THR 67 HB THR 67 -4.241 17.137 -6.689 504 HG1 THR 67 1HG THR 67 -4.670 16.623 -4.626 505 HG21 THR 67 3HG2 THR 67 -4.798 15.579 -8.505 506 HG22 THR 67 1HG2 THR 67 -6.159 15.674 -7.372 507 HG23 THR 67 2HG2 THR 67 -5.066 14.274 -7.326 508 H SER 68 H SER 68 -1.677 16.322 -4.370 509 HA SER 68 HA SER 68 0.451 17.873 -5.584 510 HB2 SER 68 1HB SER 68 -1.905 19.255 -4.213 511 HB3 SER 68 2HB SER 68 -0.355 20.036 -4.547 512 HG SER 68 HG SER 68 -1.465 18.823 -6.751 513 H VAL 69 H VAL 69 1.920 18.727 -4.038 514 HA VAL 69 HA VAL 69 2.354 17.085 -1.830 515 HB VAL 69 HB VAL 69 3.552 19.850 -2.262 516 HG11 VAL 69 1HG1 VAL 69 5.577 18.823 -1.208 517 HG12 VAL 69 2HG1 VAL 69 4.190 18.761 -0.109 518 HG13 VAL 69 3HG1 VAL 69 4.685 17.316 -1.003 519 HG21 VAL 69 3HG2 VAL 69 3.791 18.633 -4.389 520 HG22 VAL 69 1HG2 VAL 69 5.342 18.649 -3.566 521 HG23 VAL 69 2HG2 VAL 69 4.343 17.194 -3.519 522 H PHE 70 H PHE 70 0.567 20.110 -2.093 523 HA PHE 70 HA PHE 70 0.446 20.776 0.719 524 HB2 PHE 70 1HB PHE 70 -1.236 21.445 -1.739 525 HB3 PHE 70 2HB PHE 70 -1.599 22.096 -0.147 526 HD1 PHE 70 1HD PHE 70 0.139 23.478 1.077 527 HD2 PHE 70 2HD PHE 70 0.420 22.580 -3.132 528 HE1 PHE 70 1HE PHE 70 1.811 25.297 0.795 529 HE2 PHE 70 2HE PHE 70 2.034 24.422 -3.415 530 HZ PHE 70 HZ PHE 70 2.781 25.757 -1.467 531 H ASP 71 H ASP 71 -1.237 18.414 -1.254 532 HA ASP 71 HA ASP 71 -3.655 18.333 0.404 533 HB2 ASP 71 1HB ASP 71 -2.750 16.542 -1.911 534 HB3 ASP 71 2HB ASP 71 -4.317 16.522 -1.131 535 H CYS 72 H CYS 72 -0.931 16.214 -0.491 536 HA CYS 72 HA CYS 72 -1.680 14.049 1.203 537 HB2 CYS 72 1HB CYS 72 0.731 13.344 0.823 538 HB3 CYS 72 2HB CYS 72 -0.201 13.653 -0.660 539 HG CYS 72 HG CYS 72 2.043 15.570 0.853 540 H GLN 73 H GLN 73 0.243 16.969 1.765 541 HA GLN 73 HA GLN 73 1.303 16.358 4.296 542 HB2 GLN 73 1HB GLN 73 0.678 18.815 2.734 543 HB3 GLN 73 2HB GLN 73 0.567 19.069 4.462 544 HG2 GLN 73 1HG GLN 73 2.807 17.924 4.708 545 HG3 GLN 73 2HG GLN 73 2.956 17.943 2.942 546 HE21 GLN 73 1HE2 GLN 73 3.937 19.801 2.116 547 HE22 GLN 73 2HE2 GLN 73 4.235 21.237 3.119 548 H LYS 74 H LYS 74 -2.042 17.272 3.451 549 HA LYS 74 HA LYS 74 -2.902 17.520 6.218 550 HB2 LYS 74 1HB LYS 74 -4.726 17.079 3.818 551 HB3 LYS 74 2HB LYS 74 -5.051 17.923 5.334 552 HG2 LYS 74 1HG LYS 74 -3.263 19.630 4.584 553 HG3 LYS 74 2HG LYS 74 -3.311 18.788 3.018 554 HD2 LYS 74 1HD LYS 74 -5.755 19.335 2.853 555 HD3 LYS 74 2HD LYS 74 -5.580 20.313 4.339 556 HE2 LYS 74 1HE LYS 74 -3.627 21.503 3.125 557 HE3 LYS 74 2HE LYS 74 -4.137 20.648 1.670 558 HZ1 LYS 74 3HZ LYS 74 -6.409 21.790 2.299 559 HZ2 LYS 74 1HZ LYS 74 -5.227 22.559 1.439 560 HZ3 LYS 74 2HZ LYS 74 -5.369 22.885 3.023 561 H ALA 75 H ALA 75 -3.163 15.116 3.567 562 HA ALA 75 HA ALA 75 -4.614 13.145 4.952 563 HB1 ALA 75 1HB ALA 75 -4.063 13.092 2.506 564 HB2 ALA 75 2HB ALA 75 -2.395 12.655 2.922 565 HB3 ALA 75 3HB ALA 75 -3.720 11.559 3.343 566 H MET 76 H MET 76 -1.071 13.715 4.983 567 HA MET 76 HA MET 76 -0.143 11.484 6.190 568 HB2 MET 76 1HB MET 76 0.787 14.091 5.578 569 HB3 MET 76 2HB MET 76 1.099 13.939 7.295 570 HG2 MET 76 1HG MET 76 1.972 11.524 6.161 571 HG3 MET 76 2HG MET 76 2.432 12.797 5.029 572 HE1 MET 76 3HE MET 76 4.205 10.696 6.869 573 HE2 MET 76 1HE MET 76 4.753 11.349 8.430 574 HE3 MET 76 2HE MET 76 3.024 10.958 8.187 575 H GLN 77 H GLN 77 -0.863 14.462 7.987 576 HA GLN 77 HA GLN 77 -0.788 13.225 10.566 577 HB2 GLN 77 1HB GLN 77 -2.008 15.462 11.187 578 HB3 GLN 77 2HB GLN 77 -0.298 15.432 10.752 579 HG2 GLN 77 1HG GLN 77 -0.587 16.526 8.759 580 HG3 GLN 77 2HG GLN 77 -2.220 15.899 8.525 581 HE21 GLN 77 1HE2 GLN 77 -3.858 17.189 8.844 582 HE22 GLN 77 2HE2 GLN 77 -3.859 18.707 9.733 583 H GLY 78 H GLY 78 -3.498 13.901 8.268 584 HA2 GLY 78 1HA GLY 78 -5.589 13.524 10.152 585 HA3 GLY 78 2HA GLY 78 -5.699 13.437 8.389 586 H LEU 79 H LEU 79 -3.742 11.271 8.151 587 HA LEU 79 HA LEU 79 -5.472 9.025 9.013 588 HB2 LEU 79 1HB LEU 79 -3.621 9.396 6.660 589 HB3 LEU 79 2HB LEU 79 -4.530 7.913 6.992 590 HG LEU 79 HG LEU 79 -5.760 10.670 6.488 591 HD11 LEU 79 1HD1 LEU 79 -5.989 10.247 4.325 592 HD12 LEU 79 2HD1 LEU 79 -6.391 8.550 4.559 593 HD13 LEU 79 3HD1 LEU 79 -4.684 9.084 4.545 594 HD21 LEU 79 3HD2 LEU 79 -6.995 7.995 7.193 595 HD22 LEU 79 1HD2 LEU 79 -7.887 9.149 6.215 596 HD23 LEU 79 2HD2 LEU 79 -7.351 9.615 7.831 597 H THR 80 H THR 80 -2.653 10.399 10.024 598 HA THR 80 HA THR 80 -1.042 8.124 10.653 599 HB THR 80 HB THR 80 -1.531 10.675 12.256 600 HG1 THR 80 1HG THR 80 -0.584 10.885 10.067 601 HG21 THR 80 3HG2 THR 80 0.989 8.977 12.355 602 HG22 THR 80 1HG2 THR 80 -0.356 8.696 13.471 603 HG23 THR 80 2HG2 THR 80 0.469 10.250 13.452 604 H GLY 81 H GLY 81 -1.694 6.328 11.813 605 HA2 GLY 81 1HA GLY 81 -2.466 5.159 13.609 606 HA3 GLY 81 2HA GLY 81 -2.907 6.678 14.394 607 H ARG 82 H ARG 82 -4.272 6.158 11.160 608 HA ARG 82 HA ARG 82 -6.864 5.330 12.239 609 HB2 ARG 82 1HB ARG 82 -5.816 6.205 9.504 610 HB3 ARG 82 2HB ARG 82 -7.423 5.621 9.764 611 HG2 ARG 82 1HG ARG 82 -6.303 8.096 11.119 612 HG3 ARG 82 2HG ARG 82 -7.350 8.076 9.707 613 HD2 ARG 82 1HD ARG 82 -9.168 8.055 10.933 614 HD3 ARG 82 2HD ARG 82 -8.707 6.537 11.694 615 HE ARG 82 HE ARG 82 -7.281 8.126 13.236 616 HH11 ARG 82 1HH1 ARG 82 -10.584 8.941 12.042 617 HH12 ARG 82 2HH1 ARG 82 -10.777 10.070 13.316 618 HH21 ARG 82 1HH2 ARG 82 -7.823 9.428 15.018 619 HH22 ARG 82 2HH2 ARG 82 -9.429 10.016 15.221 620 H LYS 83 H LYS 83 -7.746 3.659 10.315 621 HA LYS 83 HA LYS 83 -5.812 1.409 10.174 622 HB2 LYS 83 1HB LYS 83 -8.741 1.432 10.982 623 HB3 LYS 83 2HB LYS 83 -7.872 -0.039 10.522 624 HG2 LYS 83 1HG LYS 83 -6.331 0.173 12.352 625 HG3 LYS 83 2HG LYS 83 -6.899 1.795 12.740 626 HD2 LYS 83 1HD LYS 83 -9.082 0.933 13.429 627 HD3 LYS 83 2HD LYS 83 -8.636 -0.705 12.911 628 HE2 LYS 83 1HE LYS 83 -6.712 -0.651 14.519 629 HE3 LYS 83 2HE LYS 83 -7.269 0.942 15.079 630 HZ1 LYS 83 3HZ LYS 83 -9.420 -0.237 15.585 631 HZ2 LYS 83 1HZ LYS 83 -8.120 -0.601 16.544 632 HZ3 LYS 83 2HZ LYS 83 -8.614 -1.657 15.388 633 H PHE 84 H PHE 84 -5.559 0.888 8.080 634 HA PHE 84 HA PHE 84 -7.662 1.591 6.026 635 HB2 PHE 84 1HB PHE 84 -4.649 1.244 5.899 636 HB3 PHE 84 2HB PHE 84 -5.616 1.064 4.468 637 HD1 PHE 84 1HD PHE 84 -6.548 3.786 6.867 638 HD2 PHE 84 2HD PHE 84 -4.472 2.686 3.252 639 HE1 PHE 84 1HE PHE 84 -6.356 6.141 6.243 640 HE2 PHE 84 2HE PHE 84 -4.372 5.061 2.591 641 HZ PHE 84 HZ PHE 84 -5.297 6.791 4.060 642 H ALA 85 H ALA 85 -8.016 -0.568 7.792 643 HA ALA 85 HA ALA 85 -8.622 -2.720 6.278 644 HB1 ALA 85 1HB ALA 85 -6.293 -3.293 5.804 645 HB2 ALA 85 2HB ALA 85 -5.816 -3.089 7.492 646 HB3 ALA 85 3HB ALA 85 -6.855 -4.445 7.004 647 H ASN 86 H ASN 86 -6.843 -2.228 9.240 648 HA ASN 86 HA ASN 86 -8.807 -2.637 11.240 649 HB2 ASN 86 1HB ASN 86 -8.999 -4.945 10.405 650 HB3 ASN 86 2HB ASN 86 -7.253 -5.141 10.447 651 HD21 ASN 86 1HD2 ASN 86 -7.023 -6.764 11.967 652 HD22 ASN 86 2HD2 ASN 86 -7.615 -6.625 13.622 653 H ARG 87 H ARG 87 -5.460 -2.894 10.069 654 HA ARG 87 HA ARG 87 -4.399 -2.628 12.811 655 HB2 ARG 87 1HB ARG 87 -2.960 -3.255 10.220 656 HB3 ARG 87 2HB ARG 87 -2.304 -3.392 11.875 657 HG2 ARG 87 1HG ARG 87 -4.474 -4.971 12.209 658 HG3 ARG 87 2HG ARG 87 -4.318 -5.075 10.463 659 HD2 ARG 87 1HD ARG 87 -3.051 -6.890 11.002 660 HD3 ARG 87 2HD ARG 87 -1.775 -5.680 11.091 661 HE ARG 87 HE ARG 87 -1.698 -5.926 13.414 662 HH11 ARG 87 1HH1 ARG 87 -4.615 -7.629 12.222 663 HH12 ARG 87 2HH1 ARG 87 -4.819 -8.538 13.663 664 HH21 ARG 87 1HH2 ARG 87 -1.978 -7.094 15.260 665 HH22 ARG 87 2HH2 ARG 87 -3.119 -8.424 15.354 666 H VAL 88 H VAL 88 -2.407 -1.435 12.933 667 HA VAL 88 HA VAL 88 -3.373 1.248 12.676 668 HB VAL 88 HB VAL 88 -2.536 0.324 14.728 669 HG11 VAL 88 1HG1 VAL 88 0.299 0.551 13.732 670 HG12 VAL 88 2HG1 VAL 88 -0.279 -0.053 15.294 671 HG13 VAL 88 3HG1 VAL 88 -0.611 -0.975 13.819 672 HG21 VAL 88 3HG2 VAL 88 -1.281 2.251 15.539 673 HG22 VAL 88 1HG2 VAL 88 -0.928 2.758 13.878 674 HG23 VAL 88 2HG2 VAL 88 -2.606 2.762 14.477 675 H VAL 89 H VAL 89 -3.144 2.471 10.914 676 HA VAL 89 HA VAL 89 -1.166 1.972 8.961 677 HB VAL 89 HB VAL 89 -3.153 4.217 9.376 678 HG11 VAL 89 1HG1 VAL 89 -2.797 4.652 6.887 679 HG12 VAL 89 2HG1 VAL 89 -1.566 5.270 7.986 680 HG13 VAL 89 3HG1 VAL 89 -1.240 3.801 7.061 681 HG21 VAL 89 3HG2 VAL 89 -4.076 1.981 9.031 682 HG22 VAL 89 1HG2 VAL 89 -4.344 3.000 7.618 683 HG23 VAL 89 2HG2 VAL 89 -3.083 1.747 7.604 684 H VAL 90 H VAL 90 0.910 2.300 9.232 685 HA VAL 90 HA VAL 90 1.960 4.733 10.524 686 HB VAL 90 HB VAL 90 3.460 2.567 9.054 687 HG11 VAL 90 1HG1 VAL 90 4.620 4.775 9.132 688 HG12 VAL 90 2HG1 VAL 90 4.405 4.818 10.896 689 HG13 VAL 90 3HG1 VAL 90 5.425 3.578 10.147 690 HG21 VAL 90 3HG2 VAL 90 4.175 1.851 11.332 691 HG22 VAL 90 1HG2 VAL 90 3.009 2.995 12.041 692 HG23 VAL 90 2HG2 VAL 90 2.443 1.623 11.073 693 H THR 91 H THR 91 2.134 6.566 9.344 694 HA THR 91 HA THR 91 1.928 6.577 6.391 695 HB THR 91 HB THR 91 1.845 9.158 7.058 696 HG1 THR 91 1HG THR 91 0.934 9.507 9.082 697 HG21 THR 91 3HG2 THR 91 -0.540 7.336 7.591 698 HG22 THR 91 1HG2 THR 91 -0.041 7.984 6.013 699 HG23 THR 91 2HG2 THR 91 -0.604 9.083 7.271 700 H LYS 92 H LYS 92 3.775 7.304 5.225 701 HA LYS 92 HA LYS 92 5.899 8.753 6.634 702 HB2 LYS 92 1HB LYS 92 6.232 5.943 5.560 703 HB3 LYS 92 2HB LYS 92 7.435 7.107 5.072 704 HG2 LYS 92 1HG LYS 92 7.565 7.715 7.641 705 HG3 LYS 92 2HG LYS 92 6.790 6.144 7.847 706 HD2 LYS 92 1HD LYS 92 9.082 5.737 8.058 707 HD3 LYS 92 2HD LYS 92 8.715 5.170 6.434 708 HE2 LYS 92 1HE LYS 92 9.725 8.008 6.973 709 HE3 LYS 92 2HE LYS 92 10.853 6.654 6.922 710 HZ1 LYS 92 3HZ LYS 92 10.226 6.212 4.658 711 HZ2 LYS 92 1HZ LYS 92 10.728 7.771 4.817 712 HZ3 LYS 92 2HZ LYS 92 9.159 7.466 4.636 713 H TYR 93 H TYR 93 7.218 9.972 5.130 714 HA TYR 93 HA TYR 93 5.964 10.380 2.519 715 HB2 TYR 93 1HB TYR 93 8.383 11.547 3.923 716 HB3 TYR 93 2HB TYR 93 8.077 11.894 2.247 717 HD1 TYR 93 2HD TYR 93 5.261 12.365 1.939 718 HD2 TYR 93 1HD TYR 93 7.723 13.294 5.340 719 HE1 TYR 93 2HE TYR 93 3.623 14.020 2.633 720 HE2 TYR 93 1HE TYR 93 6.115 15.058 6.009 721 HH TYR 93 HH TYR 93 3.481 15.631 5.583 722 H CYS 94 H CYS 94 7.126 10.203 0.512 723 HA CYS 94 HA CYS 94 9.172 8.130 0.215 724 HB2 CYS 94 1HB CYS 94 6.274 7.727 -0.248 725 HB3 CYS 94 2HB CYS 94 7.203 7.541 -1.730 726 HG CYS 94 HG CYS 94 8.541 5.612 -1.191 727 H ASP 95 H ASP 95 9.242 7.998 -2.579 728 HA ASP 95 HA ASP 95 9.596 10.886 -3.248 729 HB2 ASP 95 1HB ASP 95 11.645 8.765 -3.886 730 HB3 ASP 95 2HB ASP 95 11.760 10.489 -4.155 731 HA PRO 96 HA PRO 96 7.411 9.592 -6.796 732 HB2 PRO 96 1HB PRO 96 7.916 11.600 -8.593 733 HB3 PRO 96 2HB PRO 96 6.914 11.819 -7.132 734 HG2 PRO 96 1HG PRO 96 9.863 12.394 -7.467 735 HG3 PRO 96 2HG PRO 96 8.637 13.499 -6.827 736 HD2 PRO 96 1HD PRO 96 10.187 12.084 -5.169 737 HD3 PRO 96 2HD PRO 96 8.423 12.202 -4.848 738 H ASP 97 H ASP 97 10.884 10.189 -7.286 739 HA ASP 97 HA ASP 97 11.168 9.069 -9.863 740 HB2 ASP 97 1HB ASP 97 12.922 9.895 -7.812 741 HB3 ASP 97 2HB ASP 97 13.299 8.178 -8.046 742 H SER 98 H SER 98 11.022 7.478 -6.660 743 HA SER 98 HA SER 98 11.492 4.880 -7.612 744 HB2 SER 98 1HB SER 98 9.939 4.682 -5.243 745 HB3 SER 98 2HB SER 98 11.683 4.544 -5.433 746 HG SER 98 HG SER 98 10.171 6.850 -4.743 747 H TYR 99 H TYR 99 8.565 6.802 -7.124 748 HA TYR 99 HA TYR 99 6.646 4.684 -7.479 749 HB2 TYR 99 1HB TYR 99 6.342 6.833 -6.163 750 HB3 TYR 99 2HB TYR 99 6.260 7.704 -7.688 751 HD1 TYR 99 2HD TYR 99 4.569 5.228 -5.512 752 HD2 TYR 99 1HD TYR 99 4.231 7.613 -9.092 753 HE1 TYR 99 2HE TYR 99 2.245 4.433 -5.838 754 HE2 TYR 99 1HE TYR 99 1.949 6.884 -9.391 755 HH TYR 99 HH TYR 99 0.896 4.037 -8.352 756 H HIS 100 H HIS 100 8.063 7.132 -9.690 757 HA HIS 100 HA HIS 100 6.331 6.722 -11.914 758 HB2 HIS 100 1HB HIS 100 9.290 7.445 -11.863 759 HB3 HIS 100 2HB HIS 100 8.212 7.673 -13.226 760 HD1 HIS 100 1HD HIS 100 9.885 9.974 -11.837 761 HD2 HIS 100 2HD HIS 100 5.785 9.065 -11.253 762 HE1 HIS 100 1HE HIS 100 8.756 12.138 -11.051 763 H ARG 101 H ARG 101 8.443 4.478 -10.512 764 HA ARG 101 HA ARG 101 8.670 2.836 -12.949 765 HB2 ARG 101 1HB ARG 101 10.975 3.358 -11.020 766 HB3 ARG 101 2HB ARG 101 10.999 2.348 -12.474 767 HG2 ARG 101 1HG ARG 101 10.514 4.480 -13.826 768 HG3 ARG 101 2HG ARG 101 10.850 5.378 -12.325 769 HD2 ARG 101 1HD ARG 101 13.037 4.090 -12.202 770 HD3 ARG 101 2HD ARG 101 12.707 3.514 -13.851 771 HE ARG 101 HE ARG 101 12.485 6.323 -13.867 772 HH11 ARG 101 1HH1 ARG 101 14.962 3.844 -13.433 773 HH12 ARG 101 2HH1 ARG 101 16.299 4.902 -13.733 774 HH21 ARG 101 1HH2 ARG 101 14.167 7.695 -14.362 775 HH22 ARG 101 2HH2 ARG 101 15.837 7.170 -14.350 776 H ARG 102 H ARG 102 10.042 0.776 -11.675 777 HA ARG 102 HA ARG 102 8.076 -0.106 -9.633 778 HB2 ARG 102 1HB ARG 102 9.218 -1.368 -12.061 779 HB3 ARG 102 2HB ARG 102 9.027 -2.428 -10.660 780 HG2 ARG 102 1HG ARG 102 7.203 -2.474 -12.304 781 HG3 ARG 102 2HG ARG 102 6.741 -2.253 -10.624 782 HD2 ARG 102 1HD ARG 102 6.159 0.018 -10.943 783 HD3 ARG 102 2HD ARG 102 7.066 0.161 -12.394 784 HE ARG 102 HE ARG 102 5.523 -1.204 -13.591 785 HH11 ARG 102 1HH1 ARG 102 4.050 0.360 -10.656 786 HH12 ARG 102 2HH1 ARG 102 2.536 -0.388 -10.975 787 HH21 ARG 102 1HH2 ARG 102 3.429 -1.996 -13.919 788 HH22 ARG 102 2HH2 ARG 102 2.138 -1.575 -12.795 789 H ASP 103 H ASP 103 10.374 1.460 -8.910 790 HA ASP 103 HA ASP 103 12.424 -0.438 -7.970 791 HB2 ASP 103 1HB ASP 103 12.989 1.842 -8.883 792 HB3 ASP 103 2HB ASP 103 12.261 2.561 -7.451 793 H PHE 104 H PHE 104 10.744 -1.582 -6.801 794 HA PHE 104 HA PHE 104 9.535 -0.227 -4.487 795 HB2 PHE 104 1HB PHE 104 9.161 -2.968 -5.753 796 HB3 PHE 104 2HB PHE 104 8.212 -2.314 -4.452 797 HD1 PHE 104 1HD PHE 104 8.297 0.677 -5.961 798 HD2 PHE 104 2HD PHE 104 7.063 -3.342 -6.997 799 HE1 PHE 104 1HE PHE 104 6.838 1.566 -7.715 800 HE2 PHE 104 2HE PHE 104 5.550 -2.365 -8.768 801 HZ PHE 104 HZ PHE 104 5.442 0.070 -9.049 802 H TRP 105 H TRP 105 12.181 -1.886 -4.810 803 HA TRP 105 HA TRP 105 12.230 -3.858 -2.730 804 HB2 TRP 105 1HB TRP 105 13.990 -3.492 -4.592 805 HB3 TRP 105 2HB TRP 105 14.723 -2.333 -3.478 806 HD1 TRP 105 HD TRP 105 14.872 -3.643 -0.823 807 HE1 TRP 105 1HE TRP 105 15.820 -5.957 -0.281 808 HE3 TRP 105 3HE TRP 105 14.741 -5.680 -5.518 809 HZ2 TRP 105 2HZ TRP 105 16.761 -8.266 -1.768 810 HZ3 TRP 105 3HZ TRP 105 15.650 -7.950 -5.928 811 HH2 TRP 105 HH TRP 105 16.688 -9.242 -4.075 Start of MODEL 7 1 H1 GLY 1 H GLY 1 15.064 10.230 2.372 2 HA2 GLY 1 1HA GLY 1 13.553 11.353 3.883 3 HA3 GLY 1 2HA GLY 1 14.888 11.489 5.054 4 H GLY 2 H GLY 2 13.193 13.628 3.510 5 HA2 GLY 2 1HA GLY 2 15.090 15.601 3.041 6 HA3 GLY 2 2HA GLY 2 14.801 14.753 1.494 7 H HIS 3 H HIS 3 13.558 16.405 0.520 8 HA HIS 3 HA HIS 3 11.566 17.924 1.649 9 HB2 HIS 3 1HB HIS 3 10.806 18.370 -0.581 10 HB3 HIS 3 2HB HIS 3 12.556 18.340 -0.531 11 HD1 HIS 3 1HD HIS 3 13.674 15.990 -1.648 12 HD2 HIS 3 2HD HIS 3 9.663 16.957 -2.452 13 HE1 HIS 3 1HE HIS 3 13.002 14.616 -3.681 14 HA PRO 4 HA PRO 4 7.928 15.217 1.961 15 HB2 PRO 4 1HB PRO 4 5.910 17.029 1.557 16 HB3 PRO 4 2HB PRO 4 6.778 16.936 3.093 17 HG2 PRO 4 1HG PRO 4 7.279 18.864 0.817 18 HG3 PRO 4 2HG PRO 4 7.182 19.213 2.556 19 HD2 PRO 4 1HD PRO 4 9.552 18.912 1.254 20 HD3 PRO 4 2HD PRO 4 9.335 18.356 2.933 21 H THR 5 H THR 5 6.938 14.050 0.319 22 HA THR 5 HA THR 5 7.046 15.135 -2.441 23 HB THR 5 HB THR 5 6.994 12.721 -3.132 24 HG1 THR 5 1HG THR 5 7.631 11.292 -1.295 25 HG21 THR 5 3HG2 THR 5 9.300 13.373 -1.234 26 HG22 THR 5 1HG2 THR 5 9.168 13.824 -2.946 27 HG23 THR 5 2HG2 THR 5 9.278 12.123 -2.490 28 H GLU 6 H GLU 6 5.149 14.286 -3.754 29 HA GLU 6 HA GLU 6 2.667 14.549 -2.169 30 HB2 GLU 6 1HB GLU 6 1.525 14.952 -4.233 31 HB3 GLU 6 2HB GLU 6 2.905 16.005 -4.007 32 HG2 GLU 6 1HG GLU 6 4.218 14.412 -5.555 33 HG3 GLU 6 2HG GLU 6 2.643 13.700 -5.961 34 H VAL 7 H VAL 7 4.493 11.932 -2.299 35 HA VAL 7 HA VAL 7 2.145 10.239 -2.602 36 HB VAL 7 HB VAL 7 3.456 8.519 -3.426 37 HG11 VAL 7 1HG1 VAL 7 2.989 10.297 -5.158 38 HG12 VAL 7 2HG1 VAL 7 4.652 10.864 -4.931 39 HG13 VAL 7 3HG1 VAL 7 4.348 9.235 -5.552 40 HG21 VAL 7 3HG2 VAL 7 6.020 9.957 -3.000 41 HG22 VAL 7 1HG2 VAL 7 5.330 8.582 -2.077 42 HG23 VAL 7 2HG2 VAL 7 5.743 8.351 -3.773 43 H LEU 8 H LEU 8 2.051 8.593 -0.990 44 HA LEU 8 HA LEU 8 3.737 9.075 1.428 45 HB2 LEU 8 1HB LEU 8 1.127 9.865 1.302 46 HB3 LEU 8 2HB LEU 8 0.907 8.188 1.793 47 HG LEU 8 HG LEU 8 2.328 8.588 3.791 48 HD11 LEU 8 1HD1 LEU 8 2.186 11.516 2.881 49 HD12 LEU 8 2HD1 LEU 8 3.662 10.559 2.999 50 HD13 LEU 8 3HD1 LEU 8 2.761 10.956 4.456 51 HD21 LEU 8 3HD2 LEU 8 0.655 9.881 5.007 52 HD22 LEU 8 1HD2 LEU 8 -0.147 8.806 3.855 53 HD23 LEU 8 2HD2 LEU 8 0.006 10.534 3.482 54 H CYS 9 H CYS 9 3.823 7.117 2.848 55 HA CYS 9 HA CYS 9 3.422 4.546 1.420 56 HB2 CYS 9 1HB CYS 9 5.789 5.256 1.124 57 HB3 CYS 9 2HB CYS 9 5.950 5.552 2.861 58 HG CYS 9 HG CYS 9 5.266 2.707 1.302 59 H LEU 10 H LEU 10 2.517 3.088 2.599 60 HA LEU 10 HA LEU 10 2.049 3.674 5.423 61 HB2 LEU 10 1HB LEU 10 0.190 2.371 3.438 62 HB3 LEU 10 2HB LEU 10 -0.161 3.000 5.044 63 HG LEU 10 HG LEU 10 -1.085 4.355 3.516 64 HD11 LEU 10 1HD1 LEU 10 1.256 6.012 4.385 65 HD12 LEU 10 2HD1 LEU 10 -0.085 5.521 5.425 66 HD13 LEU 10 3HD1 LEU 10 -0.374 6.551 4.024 67 HD21 LEU 10 3HD2 LEU 10 1.256 5.209 1.939 68 HD22 LEU 10 1HD2 LEU 10 -0.481 5.401 1.643 69 HD23 LEU 10 2HD2 LEU 10 0.257 3.797 1.515 70 H MET 11 H MET 11 2.260 2.068 6.850 71 HA MET 11 HA MET 11 2.980 -0.664 5.870 72 HB2 MET 11 1HB MET 11 4.064 0.919 8.224 73 HB3 MET 11 2HB MET 11 4.416 -0.769 7.872 74 HG2 MET 11 1HG MET 11 6.254 0.453 7.066 75 HG3 MET 11 2HG MET 11 5.378 -0.133 5.662 76 HE1 MET 11 3HE MET 11 6.395 3.041 7.803 77 HE2 MET 11 1HE MET 11 5.496 4.334 6.975 78 HE3 MET 11 2HE MET 11 4.620 3.108 7.915 79 H ASN 12 H ASN 12 2.590 -2.411 7.407 80 HA ASN 12 HA ASN 12 1.462 -3.743 8.801 81 HB2 ASN 12 1HB ASN 12 0.096 -1.384 10.075 82 HB3 ASN 12 2HB ASN 12 0.267 -2.995 10.729 83 HD21 ASN 12 1HD2 ASN 12 1.187 -0.075 11.347 84 HD22 ASN 12 2HD2 ASN 12 2.876 -0.268 11.837 85 H MET 13 H MET 13 0.045 -2.101 6.343 86 HA MET 13 HA MET 13 -2.727 -2.125 7.126 87 HB2 MET 13 1HB MET 13 -1.426 -0.698 5.362 88 HB3 MET 13 2HB MET 13 -1.666 -2.090 4.326 89 HG2 MET 13 1HG MET 13 -4.054 -1.829 4.424 90 HG3 MET 13 2HG MET 13 -3.928 -0.649 5.732 91 HE1 MET 13 3HE MET 13 -2.487 2.540 3.875 92 HE2 MET 13 1HE MET 13 -3.162 1.954 5.403 93 HE3 MET 13 2HE MET 13 -1.588 1.358 4.852 94 H VAL 14 H VAL 14 -0.589 -4.290 5.290 95 HA VAL 14 HA VAL 14 -2.739 -6.276 4.810 96 HB VAL 14 HB VAL 14 -1.556 -6.604 2.597 97 HG11 VAL 14 1HG1 VAL 14 -2.549 -4.560 1.525 98 HG12 VAL 14 2HG1 VAL 14 -3.629 -5.407 2.638 99 HG13 VAL 14 3HG1 VAL 14 -2.855 -3.900 3.141 100 HG21 VAL 14 3HG2 VAL 14 -0.132 -4.819 1.704 101 HG22 VAL 14 1HG2 VAL 14 -0.126 -4.002 3.272 102 HG23 VAL 14 2HG2 VAL 14 0.621 -5.606 3.098 103 H LEU 15 H LEU 15 -1.704 -8.448 4.177 104 HA LEU 15 HA LEU 15 0.730 -8.951 5.854 105 HB2 LEU 15 1HB LEU 15 -1.603 -10.832 5.438 106 HB3 LEU 15 2HB LEU 15 -0.188 -11.140 6.409 107 HG LEU 15 HG LEU 15 -2.447 -9.206 7.009 108 HD11 LEU 15 1HD1 LEU 15 -1.318 -11.637 8.490 109 HD12 LEU 15 2HD1 LEU 15 -2.795 -11.613 7.529 110 HD13 LEU 15 3HD1 LEU 15 -2.707 -10.645 8.987 111 HD21 LEU 15 3HD2 LEU 15 0.186 -9.526 8.499 112 HD22 LEU 15 1HD2 LEU 15 -1.266 -8.786 9.198 113 HD23 LEU 15 2HD2 LEU 15 -0.495 -8.038 7.810 114 HA PRO 16 HA PRO 16 2.363 -10.639 2.163 115 HB2 PRO 16 1HB PRO 16 4.255 -12.445 3.037 116 HB3 PRO 16 2HB PRO 16 4.408 -10.683 3.318 117 HG2 PRO 16 1HG PRO 16 3.311 -12.798 5.207 118 HG3 PRO 16 2HG PRO 16 4.545 -11.541 5.555 119 HD2 PRO 16 1HD PRO 16 1.921 -11.225 6.176 120 HD3 PRO 16 2HD PRO 16 2.910 -9.847 5.631 121 H GLU 17 H GLU 17 0.238 -12.419 3.990 122 HA GLU 17 HA GLU 17 0.209 -14.739 2.127 123 HB2 GLU 17 1HB GLU 17 -0.749 -16.007 4.022 124 HB3 GLU 17 2HB GLU 17 0.943 -15.539 4.192 125 HG2 GLU 17 1HG GLU 17 0.369 -13.759 5.777 126 HG3 GLU 17 2HG GLU 17 -1.345 -14.068 5.551 127 H GLU 18 H GLU 18 -1.258 -11.900 2.358 128 HA GLU 18 HA GLU 18 -4.037 -12.938 2.040 129 HB2 GLU 18 1HB GLU 18 -3.077 -10.630 3.728 130 HB3 GLU 18 2HB GLU 18 -4.774 -11.003 3.431 131 HG2 GLU 18 1HG GLU 18 -2.862 -12.833 4.901 132 HG3 GLU 18 2HG GLU 18 -3.864 -11.621 5.653 133 H LEU 19 H LEU 19 -1.886 -11.913 0.143 134 HA LEU 19 HA LEU 19 -3.600 -9.828 -1.166 135 HB2 LEU 19 1HB LEU 19 -0.589 -9.937 -1.339 136 HB3 LEU 19 2HB LEU 19 -1.643 -8.863 -2.231 137 HG LEU 19 HG LEU 19 -1.408 -8.845 0.808 138 HD11 LEU 19 1HD1 LEU 19 0.700 -8.207 -0.250 139 HD12 LEU 19 2HD1 LEU 19 -0.093 -6.790 0.449 140 HD13 LEU 19 3HD1 LEU 19 -0.139 -7.048 -1.312 141 HD21 LEU 19 3HD2 LEU 19 -3.600 -7.944 -0.106 142 HD22 LEU 19 1HD2 LEU 19 -2.735 -6.975 -1.284 143 HD23 LEU 19 2HD2 LEU 19 -2.609 -6.612 0.442 144 H LEU 20 H LEU 20 -4.012 -12.549 -1.417 145 HA LEU 20 HA LEU 20 -2.824 -13.329 -4.027 146 HB2 LEU 20 1HB LEU 20 -4.511 -14.931 -2.065 147 HB3 LEU 20 2HB LEU 20 -3.874 -15.503 -3.592 148 HG LEU 20 HG LEU 20 -2.517 -16.413 -1.919 149 HD11 LEU 20 1HD1 LEU 20 -0.275 -15.623 -2.437 150 HD12 LEU 20 2HD1 LEU 20 -0.910 -14.083 -3.044 151 HD13 LEU 20 3HD1 LEU 20 -1.273 -15.595 -3.902 152 HD21 LEU 20 3HD2 LEU 20 -3.069 -14.737 -0.092 153 HD22 LEU 20 1HD2 LEU 20 -1.775 -13.710 -0.754 154 HD23 LEU 20 2HD2 LEU 20 -1.405 -15.321 -0.147 155 H ASP 21 H ASP 21 -6.059 -13.182 -2.457 156 HA ASP 21 HA ASP 21 -7.497 -13.672 -4.846 157 HB2 ASP 21 1HB ASP 21 -8.324 -12.454 -2.204 158 HB3 ASP 21 2HB ASP 21 -9.467 -12.928 -3.466 159 H ASP 22 H ASP 22 -7.514 -12.318 -6.542 160 HA ASP 22 HA ASP 22 -7.067 -9.566 -6.596 161 HB2 ASP 22 1HB ASP 22 -8.729 -11.238 -8.530 162 HB3 ASP 22 2HB ASP 22 -8.102 -9.620 -8.850 163 H GLU 23 H GLU 23 -10.086 -11.358 -6.164 164 HA GLU 23 HA GLU 23 -11.974 -9.388 -6.724 165 HB2 GLU 23 1HB GLU 23 -11.946 -11.799 -4.881 166 HB3 GLU 23 2HB GLU 23 -13.408 -10.825 -5.097 167 HG2 GLU 23 1HG GLU 23 -13.634 -11.382 -7.355 168 HG3 GLU 23 2HG GLU 23 -11.947 -11.792 -7.545 169 H GLU 24 H GLU 24 -10.921 -10.358 -3.419 170 HA GLU 24 HA GLU 24 -12.168 -8.158 -2.163 171 HB2 GLU 24 1HB GLU 24 -11.190 -10.492 -1.298 172 HB3 GLU 24 2HB GLU 24 -9.752 -9.520 -0.954 173 HG2 GLU 24 1HG GLU 24 -11.208 -7.994 0.417 174 HG3 GLU 24 2HG GLU 24 -12.597 -9.004 0.017 175 H TYR 25 H TYR 25 -8.856 -8.576 -3.453 176 HA TYR 25 HA TYR 25 -7.630 -6.246 -2.433 177 HB2 TYR 25 1HB TYR 25 -6.444 -7.992 -3.478 178 HB3 TYR 25 2HB TYR 25 -7.342 -7.872 -4.965 179 HD1 TYR 25 1HD TYR 25 -7.052 -5.843 -6.428 180 HD2 TYR 25 2HD TYR 25 -4.326 -6.934 -3.268 181 HE1 TYR 25 1HE TYR 25 -5.253 -4.581 -7.553 182 HE2 TYR 25 2HE TYR 25 -2.552 -5.602 -4.333 183 HH TYR 25 HH TYR 25 -3.018 -4.027 -7.501 184 H GLU 26 H GLU 26 -10.004 -6.638 -5.126 185 HA GLU 26 HA GLU 26 -9.447 -3.977 -6.169 186 HB2 GLU 26 1HB GLU 26 -10.809 -6.406 -7.072 187 HB3 GLU 26 2HB GLU 26 -11.873 -5.032 -7.234 188 HG2 GLU 26 1HG GLU 26 -10.167 -3.813 -8.539 189 HG3 GLU 26 2HG GLU 26 -8.974 -5.053 -8.192 190 H GLU 27 H GLU 27 -11.798 -5.504 -4.098 191 HA GLU 27 HA GLU 27 -13.624 -3.301 -3.786 192 HB2 GLU 27 1HB GLU 27 -12.922 -5.392 -1.661 193 HB3 GLU 27 2HB GLU 27 -14.364 -4.385 -1.726 194 HG2 GLU 27 1HG GLU 27 -15.008 -5.519 -3.847 195 HG3 GLU 27 2HG GLU 27 -13.575 -6.551 -3.678 196 H ILE 28 H ILE 28 -10.862 -4.400 -1.836 197 HA ILE 28 HA ILE 28 -11.061 -2.423 0.139 198 HB ILE 28 HB ILE 28 -8.693 -4.087 -0.838 199 HG12 ILE 28 1HG1 ILE 28 -10.269 -4.395 1.766 200 HG13 ILE 28 2HG1 ILE 28 -10.833 -5.147 0.287 201 HG21 ILE 28 1HG2 ILE 28 -8.985 -2.178 1.542 202 HG22 ILE 28 2HG2 ILE 28 -7.793 -3.475 1.563 203 HG23 ILE 28 3HG2 ILE 28 -7.691 -2.215 0.325 204 HD11 ILE 28 3HD1 ILE 28 -8.701 -6.392 0.054 205 HD12 ILE 28 1HD1 ILE 28 -8.124 -5.687 1.573 206 HD13 ILE 28 2HD1 ILE 28 -9.535 -6.752 1.576 207 H VAL 29 H VAL 29 -9.234 -2.329 -2.938 208 HA VAL 29 HA VAL 29 -7.851 0.129 -2.400 209 HB VAL 29 HB VAL 29 -8.706 -1.294 -4.937 210 HG11 VAL 29 1HG1 VAL 29 -8.489 1.022 -5.639 211 HG12 VAL 29 2HG1 VAL 29 -6.987 1.218 -4.712 212 HG13 VAL 29 3HG1 VAL 29 -7.024 0.171 -6.144 213 HG21 VAL 29 3HG2 VAL 29 -5.926 -0.843 -3.735 214 HG22 VAL 29 1HG2 VAL 29 -6.879 -2.302 -3.451 215 HG23 VAL 29 2HG2 VAL 29 -6.340 -1.918 -5.085 216 H GLU 30 H GLU 30 -11.156 -0.550 -3.670 217 HA GLU 30 HA GLU 30 -11.521 2.233 -4.420 218 HB2 GLU 30 1HB GLU 30 -13.352 -0.200 -4.313 219 HB3 GLU 30 2HB GLU 30 -13.907 1.402 -4.818 220 HG2 GLU 30 1HG GLU 30 -11.577 -0.045 -6.148 221 HG3 GLU 30 2HG GLU 30 -13.259 -0.132 -6.694 222 H ASP 31 H ASP 31 -12.380 0.193 -1.641 223 HA ASP 31 HA ASP 31 -14.098 2.163 -0.371 224 HB2 ASP 31 1HB ASP 31 -13.880 -0.175 0.509 225 HB3 ASP 31 2HB ASP 31 -12.236 0.194 1.009 226 H VAL 32 H VAL 32 -10.620 1.568 -0.354 227 HA VAL 32 HA VAL 32 -10.008 3.695 1.475 228 HB VAL 32 HB VAL 32 -8.372 1.987 -0.444 229 HG11 VAL 32 1HG1 VAL 32 -7.386 4.166 1.411 230 HG12 VAL 32 2HG1 VAL 32 -6.342 2.857 0.790 231 HG13 VAL 32 3HG1 VAL 32 -7.082 3.995 -0.334 232 HG21 VAL 32 3HG2 VAL 32 -8.551 2.131 2.601 233 HG22 VAL 32 1HG2 VAL 32 -9.361 0.930 1.578 234 HG23 VAL 32 2HG2 VAL 32 -7.597 0.959 1.658 235 H ARG 33 H ARG 33 -10.416 3.466 -2.008 236 HA ARG 33 HA ARG 33 -9.260 5.996 -2.614 237 HB2 ARG 33 1HB ARG 33 -9.713 4.322 -4.379 238 HB3 ARG 33 2HB ARG 33 -11.465 4.572 -4.192 239 HG2 ARG 33 1HG ARG 33 -11.333 6.823 -5.016 240 HG3 ARG 33 2HG ARG 33 -9.575 6.864 -4.819 241 HD2 ARG 33 1HD ARG 33 -10.004 6.738 -7.121 242 HD3 ARG 33 2HD ARG 33 -9.343 5.187 -6.621 243 HE ARG 33 HE ARG 33 -11.493 4.170 -6.825 244 HH11 ARG 33 1HH1 ARG 33 -11.006 7.178 -8.646 245 HH12 ARG 33 2HH1 ARG 33 -12.101 6.684 -9.861 246 HH21 ARG 33 1HH2 ARG 33 -13.143 3.771 -8.243 247 HH22 ARG 33 2HH2 ARG 33 -13.564 4.832 -9.537 248 H ASP 34 H ASP 34 -12.571 5.220 -1.473 249 HA ASP 34 HA ASP 34 -13.502 7.966 -1.684 250 HB2 ASP 34 1HB ASP 34 -15.214 6.364 -1.262 251 HB3 ASP 34 2HB ASP 34 -14.335 5.668 0.112 252 H GLU 35 H GLU 35 -12.033 6.035 0.988 253 HA GLU 35 HA GLU 35 -12.453 8.087 2.763 254 HB2 GLU 35 1HB GLU 35 -11.380 6.912 4.373 255 HB3 GLU 35 2HB GLU 35 -11.999 5.684 3.283 256 HG2 GLU 35 1HG GLU 35 -9.621 5.377 2.463 257 HG3 GLU 35 2HG GLU 35 -9.082 6.583 3.558 258 H CYS 36 H CYS 36 -9.356 7.540 0.999 259 HA CYS 36 HA CYS 36 -8.239 9.857 2.378 260 HB2 CYS 36 1HB CYS 36 -7.008 7.784 1.295 261 HB3 CYS 36 2HB CYS 36 -6.988 8.841 -0.134 262 HG CYS 36 HG CYS 36 -5.971 9.455 2.974 263 H SER 37 H SER 37 -10.595 9.687 -0.039 264 HA SER 37 HA SER 37 -9.847 11.941 -1.700 265 HB2 SER 37 1HB SER 37 -11.694 9.935 -1.908 266 HB3 SER 37 2HB SER 37 -12.706 11.198 -1.230 267 HG SER 37 HG SER 37 -12.859 11.453 -3.304 268 H LYS 38 H LYS 38 -11.094 11.409 1.504 269 HA LYS 38 HA LYS 38 -12.487 13.861 1.952 270 HB2 LYS 38 1HB LYS 38 -10.999 12.033 3.868 271 HB3 LYS 38 2HB LYS 38 -12.200 13.227 4.318 272 HG2 LYS 38 1HG LYS 38 -13.949 11.984 3.118 273 HG3 LYS 38 2HG LYS 38 -12.811 10.823 2.523 274 HD2 LYS 38 1HD LYS 38 -12.223 10.109 4.820 275 HD3 LYS 38 2HD LYS 38 -13.381 11.284 5.485 276 HE2 LYS 38 1HE LYS 38 -15.229 10.183 4.409 277 HE3 LYS 38 2HE LYS 38 -14.176 9.102 3.501 278 HZ1 LYS 38 3HZ LYS 38 -14.175 9.081 6.446 279 HZ2 LYS 38 1HZ LYS 38 -13.777 7.845 5.402 280 HZ3 LYS 38 2HZ LYS 38 -15.325 8.316 5.628 281 H TYR 39 H TYR 39 -9.161 13.498 1.269 282 HA TYR 39 HA TYR 39 -8.532 16.041 2.694 283 HB2 TYR 39 1HB TYR 39 -6.659 13.688 2.322 284 HB3 TYR 39 2HB TYR 39 -6.334 15.184 3.202 285 HD1 TYR 39 1HD TYR 39 -8.167 11.978 3.226 286 HD2 TYR 39 2HD TYR 39 -7.232 15.536 5.464 287 HE1 TYR 39 1HE TYR 39 -9.247 10.999 5.187 288 HE2 TYR 39 2HE TYR 39 -8.246 14.531 7.490 289 HH TYR 39 HH TYR 39 -10.024 12.826 8.009 290 H GLY 40 H GLY 40 -8.593 14.434 -0.408 291 HA2 GLY 40 1HA GLY 40 -7.721 16.634 -1.827 292 HA3 GLY 40 2HA GLY 40 -6.269 15.659 -1.534 293 H LEU 41 H LEU 41 -6.262 15.456 -3.851 294 HA LEU 41 HA LEU 41 -8.294 13.664 -5.047 295 HB2 LEU 41 1HB LEU 41 -7.583 15.871 -6.059 296 HB3 LEU 41 2HB LEU 41 -6.032 15.175 -6.376 297 HG LEU 41 HG LEU 41 -7.426 15.186 -8.301 298 HD11 LEU 41 1HD1 LEU 41 -7.104 13.047 -9.167 299 HD12 LEU 41 2HD1 LEU 41 -7.414 12.276 -7.608 300 HD13 LEU 41 3HD1 LEU 41 -5.903 13.159 -7.873 301 HD21 LEU 41 3HD2 LEU 41 -9.446 13.358 -7.004 302 HD22 LEU 41 1HD2 LEU 41 -9.515 14.113 -8.601 303 HD23 LEU 41 2HD2 LEU 41 -9.639 15.115 -7.146 304 H VAL 42 H VAL 42 -7.799 11.747 -4.681 305 HA VAL 42 HA VAL 42 -5.124 10.593 -4.279 306 HB VAL 42 HB VAL 42 -7.809 9.196 -4.690 307 HG11 VAL 42 1HG1 VAL 42 -6.659 7.244 -3.686 308 HG12 VAL 42 2HG1 VAL 42 -5.849 7.760 -5.157 309 HG13 VAL 42 3HG1 VAL 42 -5.150 8.191 -3.589 310 HG21 VAL 42 3HG2 VAL 42 -6.395 9.809 -2.066 311 HG22 VAL 42 1HG2 VAL 42 -7.880 10.596 -2.632 312 HG23 VAL 42 2HG2 VAL 42 -7.903 8.879 -2.254 313 H LYS 43 H LYS 43 -3.843 10.476 -6.018 314 HA LYS 43 HA LYS 43 -4.789 10.366 -8.770 315 HB2 LYS 43 1HB LYS 43 -2.464 11.221 -7.848 316 HB3 LYS 43 2HB LYS 43 -2.041 9.510 -7.795 317 HG2 LYS 43 1HG LYS 43 -1.333 9.926 -9.938 318 HG3 LYS 43 2HG LYS 43 -3.018 9.572 -10.311 319 HD2 LYS 43 1HD LYS 43 -3.382 12.149 -9.987 320 HD3 LYS 43 2HD LYS 43 -1.613 12.255 -9.988 321 HE2 LYS 43 1HE LYS 43 -2.298 12.676 -12.219 322 HE3 LYS 43 2HE LYS 43 -1.616 11.040 -12.220 323 HZ1 LYS 43 3HZ LYS 43 -4.500 11.728 -12.118 324 HZ2 LYS 43 1HZ LYS 43 -3.881 10.187 -12.172 325 HZ3 LYS 43 2HZ LYS 43 -3.706 11.168 -13.444 326 H SER 44 H SER 44 -2.986 8.012 -6.688 327 HA SER 44 HA SER 44 -5.048 6.103 -6.965 328 HB2 SER 44 1HB SER 44 -3.734 5.952 -9.270 329 HB3 SER 44 2HB SER 44 -2.536 5.071 -8.312 330 HG SER 44 HG SER 44 -5.344 4.485 -8.352 331 H ILE 45 H ILE 45 -3.737 3.780 -6.429 332 HA ILE 45 HA ILE 45 -2.198 4.161 -3.944 333 HB ILE 45 HB ILE 45 -4.696 2.434 -4.340 334 HG12 ILE 45 1HG1 ILE 45 -4.692 4.369 -2.073 335 HG13 ILE 45 2HG1 ILE 45 -4.716 5.122 -3.639 336 HG21 ILE 45 1HG2 ILE 45 -3.090 1.306 -2.871 337 HG22 ILE 45 2HG2 ILE 45 -2.966 2.763 -1.868 338 HG23 ILE 45 3HG2 ILE 45 -4.484 1.851 -1.939 339 HD11 ILE 45 3HD1 ILE 45 -7.025 4.708 -2.877 340 HD12 ILE 45 1HD1 ILE 45 -6.684 3.741 -4.312 341 HD13 ILE 45 2HD1 ILE 45 -6.676 2.978 -2.704 342 H GLU 46 H GLU 46 -0.687 2.484 -3.841 343 HA GLU 46 HA GLU 46 -0.723 0.468 -6.027 344 HB2 GLU 46 1HB GLU 46 0.586 2.619 -6.483 345 HB3 GLU 46 2HB GLU 46 1.721 2.066 -5.292 346 HG2 GLU 46 1HG GLU 46 2.317 1.792 -7.694 347 HG3 GLU 46 2HG GLU 46 2.517 0.369 -6.713 348 H ILE 47 H ILE 47 -0.640 -1.520 -5.335 349 HA ILE 47 HA ILE 47 0.349 -2.175 -2.630 350 HB ILE 47 HB ILE 47 -2.176 -3.264 -3.912 351 HG12 ILE 47 1HG1 ILE 47 -1.829 -0.817 -2.179 352 HG13 ILE 47 2HG1 ILE 47 -2.697 -1.002 -3.693 353 HG21 ILE 47 1HG2 ILE 47 -1.162 -3.335 -1.023 354 HG22 ILE 47 2HG2 ILE 47 -2.624 -4.117 -1.656 355 HG23 ILE 47 3HG2 ILE 47 -1.054 -4.682 -2.178 356 HD11 ILE 47 3HD1 ILE 47 -3.566 -2.066 -0.981 357 HD12 ILE 47 1HD1 ILE 47 -4.313 -0.783 -1.939 358 HD13 ILE 47 2HD1 ILE 47 -4.374 -2.461 -2.522 359 HA PRO 48 HA PRO 48 2.297 -5.061 -5.670 360 HB2 PRO 48 1HB PRO 48 4.681 -5.447 -4.375 361 HB3 PRO 48 2HB PRO 48 4.335 -4.015 -5.400 362 HG2 PRO 48 1HG PRO 48 4.216 -4.251 -2.393 363 HG3 PRO 48 2HG PRO 48 4.870 -2.905 -3.376 364 HD2 PRO 48 1HD PRO 48 2.367 -2.927 -2.225 365 HD3 PRO 48 2HD PRO 48 2.739 -2.029 -3.731 366 H ARG 49 H ARG 49 1.369 -7.017 -5.520 367 HA ARG 49 HA ARG 49 1.028 -8.468 -2.999 368 HB2 ARG 49 1HB ARG 49 0.260 -10.276 -4.808 369 HB3 ARG 49 2HB ARG 49 -0.779 -8.987 -4.255 370 HG2 ARG 49 1HG ARG 49 0.837 -8.612 -6.774 371 HG3 ARG 49 2HG ARG 49 -0.624 -9.614 -6.749 372 HD2 ARG 49 1HD ARG 49 -0.949 -6.931 -5.512 373 HD3 ARG 49 2HD ARG 49 -0.737 -6.965 -7.255 374 HE ARG 49 HE ARG 49 -2.993 -8.048 -5.711 375 HH11 ARG 49 1HH1 ARG 49 -1.365 -8.198 -8.884 376 HH12 ARG 49 2HH1 ARG 49 -2.745 -8.875 -9.677 377 HH21 ARG 49 1HH2 ARG 49 -4.640 -9.012 -6.656 378 HH22 ARG 49 2HH2 ARG 49 -4.737 -9.366 -8.364 379 HA PRO 50 HA PRO 50 4.686 -11.239 -3.542 380 HB2 PRO 50 1HB PRO 50 3.652 -13.701 -3.012 381 HB3 PRO 50 2HB PRO 50 3.961 -12.483 -1.748 382 HG2 PRO 50 1HG PRO 50 1.350 -13.078 -3.161 383 HG3 PRO 50 2HG PRO 50 1.645 -12.946 -1.398 384 HD2 PRO 50 1HD PRO 50 0.668 -10.881 -2.808 385 HD3 PRO 50 2HD PRO 50 1.870 -10.587 -1.522 386 H VAL 51 H VAL 51 5.219 -13.268 -4.881 387 HA VAL 51 HA VAL 51 3.409 -13.544 -7.257 388 HB VAL 51 HB VAL 51 6.439 -13.283 -7.411 389 HG11 VAL 51 1HG1 VAL 51 5.501 -14.726 -9.162 390 HG12 VAL 51 2HG1 VAL 51 4.283 -13.500 -9.556 391 HG13 VAL 51 3HG1 VAL 51 6.012 -13.193 -9.866 392 HG21 VAL 51 3HG2 VAL 51 4.306 -11.267 -8.231 393 HG22 VAL 51 1HG2 VAL 51 5.512 -11.055 -6.949 394 HG23 VAL 51 2HG2 VAL 51 6.028 -11.152 -8.630 395 H ASP 52 H ASP 52 2.738 -15.622 -7.245 396 HA ASP 52 HA ASP 52 2.709 -17.871 -7.090 397 HB2 ASP 52 1HB ASP 52 4.344 -17.499 -8.928 398 HB3 ASP 52 2HB ASP 52 5.655 -17.718 -7.769 399 H GLY 53 H GLY 53 3.067 -16.462 -4.710 400 HA2 GLY 53 1HA GLY 53 3.135 -16.982 -2.464 401 HA3 GLY 53 2HA GLY 53 3.820 -18.567 -2.845 402 H VAL 54 H VAL 54 5.730 -16.326 -4.461 403 HA VAL 54 HA VAL 54 7.827 -16.566 -2.445 404 HB VAL 54 HB VAL 54 7.983 -15.326 -5.222 405 HG11 VAL 54 1HG1 VAL 54 10.061 -16.666 -3.451 406 HG12 VAL 54 2HG1 VAL 54 10.352 -15.924 -5.031 407 HG13 VAL 54 3HG1 VAL 54 9.891 -14.924 -3.672 408 HG21 VAL 54 3HG2 VAL 54 8.436 -18.252 -4.499 409 HG22 VAL 54 1HG2 VAL 54 7.116 -17.655 -5.508 410 HG23 VAL 54 2HG2 VAL 54 8.781 -17.506 -6.071 411 H GLU 55 H GLU 55 8.727 -14.809 -1.478 412 HA GLU 55 HA GLU 55 7.450 -12.321 -1.101 413 HB2 GLU 55 1HB GLU 55 9.394 -11.832 0.149 414 HB3 GLU 55 2HB GLU 55 9.137 -13.552 0.361 415 HG2 GLU 55 1HG GLU 55 10.784 -13.876 -1.594 416 HG3 GLU 55 2HG GLU 55 11.102 -12.149 -1.451 417 H VAL 56 H VAL 56 7.963 -10.313 -1.978 418 HA VAL 56 HA VAL 56 10.027 -10.137 -4.083 419 HB VAL 56 HB VAL 56 8.245 -8.073 -4.640 420 HG11 VAL 56 1HG1 VAL 56 7.630 -9.509 -6.712 421 HG12 VAL 56 2HG1 VAL 56 9.311 -9.047 -6.485 422 HG13 VAL 56 3HG1 VAL 56 8.785 -10.673 -6.036 423 HG21 VAL 56 3HG2 VAL 56 6.075 -9.008 -5.046 424 HG22 VAL 56 1HG2 VAL 56 6.573 -10.574 -4.391 425 HG23 VAL 56 2HG2 VAL 56 6.455 -9.140 -3.330 426 HA PRO 57 HA PRO 57 11.313 -6.567 -1.637 427 HB2 PRO 57 1HB PRO 57 12.495 -5.001 -3.556 428 HB3 PRO 57 2HB PRO 57 13.241 -6.510 -2.959 429 HG2 PRO 57 1HG PRO 57 11.541 -6.077 -5.441 430 HG3 PRO 57 2HG PRO 57 13.137 -6.896 -5.322 431 HD2 PRO 57 1HD PRO 57 10.819 -8.287 -5.294 432 HD3 PRO 57 2HD PRO 57 12.198 -8.805 -4.293 433 H GLY 58 H GLY 58 10.036 -4.913 -0.988 434 HA2 GLY 58 1HA GLY 58 8.863 -2.880 -1.332 435 HA3 GLY 58 2HA GLY 58 8.322 -3.450 -2.906 436 H CYS 59 H CYS 59 7.903 -6.154 -1.151 437 HA CYS 59 HA CYS 59 5.051 -5.759 -1.076 438 HB2 CYS 59 1HB CYS 59 6.561 -7.860 -1.606 439 HB3 CYS 59 2HB CYS 59 6.444 -8.140 0.136 440 HG CYS 59 HG CYS 59 3.887 -7.560 -1.935 441 H GLY 60 H GLY 60 3.667 -6.110 0.695 442 HA2 GLY 60 1HA GLY 60 3.049 -6.239 2.959 443 HA3 GLY 60 2HA GLY 60 4.716 -5.847 3.433 444 H LYS 61 H LYS 61 3.838 -3.714 0.957 445 HA LYS 61 HA LYS 61 3.207 -1.589 2.956 446 HB2 LYS 61 1HB LYS 61 5.094 -1.397 0.576 447 HB3 LYS 61 2HB LYS 61 4.594 -0.065 1.611 448 HG2 LYS 61 1HG LYS 61 6.301 -0.523 3.003 449 HG3 LYS 61 2HG LYS 61 5.487 -1.988 3.456 450 HD2 LYS 61 1HD LYS 61 7.542 -2.796 2.864 451 HD3 LYS 61 2HD LYS 61 6.683 -3.029 1.338 452 HE2 LYS 61 1HE LYS 61 7.779 -1.195 0.310 453 HE3 LYS 61 2HE LYS 61 8.223 -0.477 1.875 454 HZ1 LYS 61 3HZ LYS 61 9.842 -2.176 2.214 455 HZ2 LYS 61 1HZ LYS 61 10.113 -1.584 0.719 456 HZ3 LYS 61 2HZ LYS 61 9.388 -3.023 0.903 457 H ILE 62 H ILE 62 2.292 0.347 1.859 458 HA ILE 62 HA ILE 62 1.018 -0.114 -0.721 459 HB ILE 62 HB ILE 62 -0.380 1.056 1.737 460 HG12 ILE 62 1HG1 ILE 62 -2.275 -0.418 0.908 461 HG13 ILE 62 2HG1 ILE 62 -1.115 -1.203 -0.166 462 HG21 ILE 62 1HG2 ILE 62 -0.798 2.611 -0.086 463 HG22 ILE 62 2HG2 ILE 62 -1.193 1.272 -1.177 464 HG23 ILE 62 3HG2 ILE 62 -2.245 1.670 0.199 465 HD11 ILE 62 3HD1 ILE 62 -0.557 -1.041 2.776 466 HD12 ILE 62 1HD1 ILE 62 -1.791 -2.175 2.148 467 HD13 ILE 62 2HD1 ILE 62 -0.133 -2.323 1.616 468 H PHE 63 H PHE 63 1.305 1.741 -1.996 469 HA PHE 63 HA PHE 63 2.350 4.183 -0.653 470 HB2 PHE 63 1HB PHE 63 2.662 3.536 -3.582 471 HB3 PHE 63 2HB PHE 63 3.461 4.805 -2.653 472 HD1 PHE 63 1HD PHE 63 5.065 3.986 -0.717 473 HD2 PHE 63 2HD PHE 63 3.654 1.465 -3.903 474 HE1 PHE 63 1HE PHE 63 6.743 2.219 -0.092 475 HE2 PHE 63 2HE PHE 63 5.217 -0.312 -3.157 476 HZ PHE 63 HZ PHE 63 6.756 0.063 -1.289 477 H VAL 64 H VAL 64 1.357 6.174 -1.544 478 HA VAL 64 HA VAL 64 -1.060 5.848 -3.177 479 HB VAL 64 HB VAL 64 -1.844 5.767 -0.809 480 HG11 VAL 64 1HG1 VAL 64 0.025 7.068 0.185 481 HG12 VAL 64 2HG1 VAL 64 -0.655 8.553 -0.505 482 HG13 VAL 64 3HG1 VAL 64 -1.570 7.637 0.709 483 HG21 VAL 64 3HG2 VAL 64 -3.436 7.665 -0.853 484 HG22 VAL 64 1HG2 VAL 64 -2.576 8.376 -2.206 485 HG23 VAL 64 2HG2 VAL 64 -3.369 6.797 -2.395 486 H GLU 65 H GLU 65 -1.488 7.851 -4.299 487 HA GLU 65 HA GLU 65 0.675 9.904 -4.152 488 HB2 GLU 65 1HB GLU 65 1.314 8.410 -5.845 489 HB3 GLU 65 2HB GLU 65 -0.331 8.288 -6.508 490 HG2 GLU 65 1HG GLU 65 -0.170 10.551 -7.366 491 HG3 GLU 65 2HG GLU 65 1.370 10.800 -6.580 492 H PHE 66 H PHE 66 0.051 11.967 -4.658 493 HA PHE 66 HA PHE 66 -2.872 12.462 -4.986 494 HB2 PHE 66 1HB PHE 66 -0.918 13.973 -3.205 495 HB3 PHE 66 2HB PHE 66 -2.621 14.328 -3.384 496 HD1 PHE 66 1HD PHE 66 -4.361 12.599 -2.618 497 HD2 PHE 66 2HD PHE 66 -0.171 12.369 -1.601 498 HE1 PHE 66 1HE PHE 66 -4.901 11.169 -0.666 499 HE2 PHE 66 2HE PHE 66 -0.715 10.941 0.337 500 HZ PHE 66 HZ PHE 66 -3.075 10.330 0.814 501 H THR 67 H THR 67 -3.123 15.029 -5.426 502 HA THR 67 HA THR 67 -1.499 15.546 -7.839 503 HB THR 67 HB THR 67 -3.170 17.378 -8.219 504 HG1 THR 67 1HG THR 67 -3.928 17.937 -6.332 505 HG21 THR 67 3HG2 THR 67 -4.256 14.590 -7.729 506 HG22 THR 67 1HG2 THR 67 -3.612 15.245 -9.249 507 HG23 THR 67 2HG2 THR 67 -5.137 15.876 -8.573 508 H SER 68 H SER 68 -1.286 16.574 -4.523 509 HA SER 68 HA SER 68 0.822 18.355 -5.331 510 HB2 SER 68 1HB SER 68 0.074 20.346 -4.129 511 HB3 SER 68 2HB SER 68 -0.997 19.967 -5.483 512 HG SER 68 HG SER 68 -2.438 19.022 -3.989 513 H VAL 69 H VAL 69 2.277 18.767 -3.719 514 HA VAL 69 HA VAL 69 2.558 16.927 -1.600 515 HB VAL 69 HB VAL 69 3.867 19.645 -1.916 516 HG11 VAL 69 1HG1 VAL 69 4.942 17.061 -0.732 517 HG12 VAL 69 2HG1 VAL 69 5.826 18.595 -0.905 518 HG13 VAL 69 3HG1 VAL 69 4.448 18.495 0.181 519 HG21 VAL 69 3HG2 VAL 69 4.107 18.446 -4.106 520 HG22 VAL 69 1HG2 VAL 69 5.639 18.591 -3.256 521 HG23 VAL 69 2HG2 VAL 69 4.782 17.051 -3.239 522 H PHE 70 H PHE 70 0.945 20.043 -1.785 523 HA PHE 70 HA PHE 70 0.701 20.694 1.037 524 HB2 PHE 70 1HB PHE 70 -0.971 21.287 -1.432 525 HB3 PHE 70 2HB PHE 70 -1.464 21.788 0.168 526 HD1 PHE 70 2HD PHE 70 1.487 22.129 -2.171 527 HD2 PHE 70 1HD PHE 70 -0.905 23.874 0.945 528 HE1 PHE 70 2HE PHE 70 2.694 24.269 -2.449 529 HE2 PHE 70 1HE PHE 70 0.210 26.066 0.571 530 HZ PHE 70 HZ PHE 70 2.008 26.264 -1.132 531 H ASP 71 H ASP 71 -1.492 19.003 -1.288 532 HA ASP 71 HA ASP 71 -3.460 18.389 0.707 533 HB2 ASP 71 1HB ASP 71 -2.952 17.198 -2.023 534 HB3 ASP 71 2HB ASP 71 -4.372 16.872 -1.025 535 H CYS 72 H CYS 72 -0.656 16.718 -0.518 536 HA CYS 72 HA CYS 72 -1.061 14.234 0.784 537 HB2 CYS 72 1HB CYS 72 0.650 14.707 -1.015 538 HB3 CYS 72 2HB CYS 72 1.596 15.635 0.167 539 HG CYS 72 HG CYS 72 2.889 13.493 -0.018 540 H GLN 73 H GLN 73 0.762 17.158 1.858 541 HA GLN 73 HA GLN 73 1.423 16.356 4.466 542 HB2 GLN 73 1HB GLN 73 0.984 18.974 3.037 543 HB3 GLN 73 2HB GLN 73 1.079 19.025 4.776 544 HG2 GLN 73 1HG GLN 73 3.294 18.120 4.789 545 HG3 GLN 73 2HG GLN 73 3.187 17.649 3.080 546 HE21 GLN 73 1HE2 GLN 73 3.214 19.236 1.496 547 HE22 GLN 73 2HE2 GLN 73 3.819 20.875 1.716 548 H LYS 74 H LYS 74 -1.740 17.600 3.212 549 HA LYS 74 HA LYS 74 -2.848 17.852 5.852 550 HB2 LYS 74 1HB LYS 74 -4.411 17.504 3.258 551 HB3 LYS 74 2HB LYS 74 -4.945 18.178 4.782 552 HG2 LYS 74 1HG LYS 74 -2.758 19.802 4.155 553 HG3 LYS 74 2HG LYS 74 -3.447 19.415 2.579 554 HD2 LYS 74 1HD LYS 74 -5.714 20.176 3.571 555 HD3 LYS 74 2HD LYS 74 -4.784 20.825 4.926 556 HE2 LYS 74 1HE LYS 74 -3.463 22.227 3.398 557 HE3 LYS 74 2HE LYS 74 -4.218 21.454 1.991 558 HZ1 LYS 74 3HZ LYS 74 -6.279 22.439 2.539 559 HZ2 LYS 74 1HZ LYS 74 -5.144 23.618 2.515 560 HZ3 LYS 74 2HZ LYS 74 -5.716 23.096 3.955 561 H ALA 75 H ALA 75 -3.166 15.405 3.257 562 HA ALA 75 HA ALA 75 -4.929 13.636 4.527 563 HB1 ALA 75 1HB ALA 75 -4.101 11.996 2.891 564 HB2 ALA 75 2HB ALA 75 -4.280 13.578 2.110 565 HB3 ALA 75 3HB ALA 75 -2.671 12.993 2.562 566 H MET 76 H MET 76 -1.304 13.531 4.482 567 HA MET 76 HA MET 76 -0.748 11.371 5.994 568 HB2 MET 76 1HB MET 76 0.895 12.760 4.899 569 HB3 MET 76 2HB MET 76 0.462 14.169 5.879 570 HG2 MET 76 1HG MET 76 1.330 13.088 7.905 571 HG3 MET 76 2HG MET 76 1.634 11.612 6.982 572 HE1 MET 76 3HE MET 76 5.125 11.947 6.461 573 HE2 MET 76 1HE MET 76 4.113 11.727 7.931 574 HE3 MET 76 2HE MET 76 3.609 11.012 6.389 575 H GLN 77 H GLN 77 -0.884 14.646 7.506 576 HA GLN 77 HA GLN 77 -0.938 13.475 10.112 577 HB2 GLN 77 1HB GLN 77 -1.831 16.296 9.290 578 HB3 GLN 77 2HB GLN 77 -1.465 15.747 10.924 579 HG2 GLN 77 1HG GLN 77 0.891 15.121 9.926 580 HG3 GLN 77 2HG GLN 77 0.451 16.241 8.629 581 HE21 GLN 77 1HE2 GLN 77 0.478 18.580 9.142 582 HE22 GLN 77 2HE2 GLN 77 0.887 19.138 10.747 583 H GLY 78 H GLY 78 -3.591 14.294 7.893 584 HA2 GLY 78 1HA GLY 78 -5.726 14.245 9.773 585 HA3 GLY 78 2HA GLY 78 -5.816 13.899 8.038 586 H LEU 79 H LEU 79 -3.795 11.649 8.329 587 HA LEU 79 HA LEU 79 -5.685 9.602 9.373 588 HB2 LEU 79 1HB LEU 79 -3.976 9.672 6.855 589 HB3 LEU 79 2HB LEU 79 -4.955 8.295 7.353 590 HG LEU 79 HG LEU 79 -6.096 11.036 6.661 591 HD11 LEU 79 1HD1 LEU 79 -5.223 9.846 4.704 592 HD12 LEU 79 2HD1 LEU 79 -6.996 9.878 4.680 593 HD13 LEU 79 3HD1 LEU 79 -6.155 8.391 5.150 594 HD21 LEU 79 3HD2 LEU 79 -7.479 9.810 8.364 595 HD22 LEU 79 1HD2 LEU 79 -7.544 8.412 7.240 596 HD23 LEU 79 2HD2 LEU 79 -8.268 9.950 6.831 597 H THR 80 H THR 80 -2.691 10.722 10.073 598 HA THR 80 HA THR 80 -1.167 8.340 10.273 599 HB THR 80 HB THR 80 -1.200 10.924 11.893 600 HG1 THR 80 1HG THR 80 -0.671 10.938 9.598 601 HG21 THR 80 3HG2 THR 80 1.105 10.411 12.578 602 HG22 THR 80 1HG2 THR 80 0.995 8.804 11.844 603 HG23 THR 80 2HG2 THR 80 -0.024 9.216 13.245 604 H GLY 81 H GLY 81 -1.550 6.532 11.448 605 HA2 GLY 81 1HA GLY 81 -2.043 5.251 13.338 606 HA3 GLY 81 2HA GLY 81 -2.862 6.623 14.083 607 H ARG 82 H ARG 82 -4.075 6.262 10.878 608 HA ARG 82 HA ARG 82 -6.606 5.264 11.728 609 HB2 ARG 82 1HB ARG 82 -5.175 5.745 9.102 610 HB3 ARG 82 2HB ARG 82 -6.705 4.920 9.056 611 HG2 ARG 82 1HG ARG 82 -6.589 7.448 10.684 612 HG3 ARG 82 2HG ARG 82 -6.536 7.558 8.934 613 HD2 ARG 82 1HD ARG 82 -8.626 6.470 8.643 614 HD3 ARG 82 2HD ARG 82 -8.643 5.886 10.320 615 HE ARG 82 HE ARG 82 -8.596 8.749 10.299 616 HH11 ARG 82 1HH1 ARG 82 -10.824 6.043 9.636 617 HH12 ARG 82 2HH1 ARG 82 -12.211 6.893 10.253 618 HH21 ARG 82 1HH2 ARG 82 -10.348 9.803 11.107 619 HH22 ARG 82 2HH2 ARG 82 -11.929 9.005 11.196 620 H LYS 83 H LYS 83 -7.547 3.388 10.248 621 HA LYS 83 HA LYS 83 -5.724 1.138 9.984 622 HB2 LYS 83 1HB LYS 83 -8.671 0.655 10.524 623 HB3 LYS 83 2HB LYS 83 -7.326 -0.478 10.511 624 HG2 LYS 83 1HG LYS 83 -7.675 -0.334 12.752 625 HG3 LYS 83 2HG LYS 83 -6.481 0.960 12.604 626 HD2 LYS 83 1HD LYS 83 -8.417 2.609 12.491 627 HD3 LYS 83 2HD LYS 83 -9.531 1.245 12.643 628 HE2 LYS 83 1HE LYS 83 -8.404 0.677 14.837 629 HE3 LYS 83 2HE LYS 83 -7.446 2.159 14.665 630 HZ1 LYS 83 3HZ LYS 83 -10.391 2.037 14.802 631 HZ2 LYS 83 1HZ LYS 83 -9.527 3.401 14.614 632 HZ3 LYS 83 2HZ LYS 83 -9.389 2.561 16.019 633 H PHE 84 H PHE 84 -5.879 0.432 7.844 634 HA PHE 84 HA PHE 84 -8.054 1.601 6.135 635 HB2 PHE 84 1HB PHE 84 -5.128 1.216 5.759 636 HB3 PHE 84 2HB PHE 84 -6.113 0.836 4.381 637 HD1 PHE 84 2HD PHE 84 -7.109 3.674 6.641 638 HD2 PHE 84 1HD PHE 84 -5.131 2.490 2.988 639 HE1 PHE 84 2HE PHE 84 -7.118 6.007 5.882 640 HE2 PHE 84 1HE PHE 84 -5.116 4.838 2.249 641 HZ PHE 84 HZ PHE 84 -6.136 6.606 3.660 642 H ALA 85 H ALA 85 -7.732 -0.827 7.863 643 HA ALA 85 HA ALA 85 -9.450 -2.515 6.422 644 HB1 ALA 85 1HB ALA 85 -6.608 -3.557 6.811 645 HB2 ALA 85 2HB ALA 85 -8.013 -4.629 6.702 646 HB3 ALA 85 3HB ALA 85 -7.599 -3.555 5.349 647 H ASN 86 H ASN 86 -7.178 -3.794 8.888 648 HA ASN 86 HA ASN 86 -8.995 -2.951 11.067 649 HB2 ASN 86 1HB ASN 86 -8.917 -5.140 11.863 650 HB3 ASN 86 2HB ASN 86 -9.395 -5.264 10.177 651 HD21 ASN 86 1HD2 ASN 86 -7.704 -6.922 12.412 652 HD22 ASN 86 2HD2 ASN 86 -6.429 -7.556 11.393 653 H ARG 87 H ARG 87 -5.671 -2.953 10.044 654 HA ARG 87 HA ARG 87 -4.743 -3.055 12.881 655 HB2 ARG 87 1HB ARG 87 -3.166 -3.432 10.327 656 HB3 ARG 87 2HB ARG 87 -2.538 -3.663 11.965 657 HG2 ARG 87 1HG ARG 87 -4.071 -5.537 12.340 658 HG3 ARG 87 2HG ARG 87 -4.828 -5.227 10.798 659 HD2 ARG 87 1HD ARG 87 -2.521 -5.688 9.722 660 HD3 ARG 87 2HD ARG 87 -2.129 -6.480 11.249 661 HE ARG 87 HE ARG 87 -3.738 -7.475 9.097 662 HH11 ARG 87 1HH1 ARG 87 -3.851 -7.524 12.671 663 HH12 ARG 87 2HH1 ARG 87 -4.807 -8.944 12.732 664 HH21 ARG 87 1HH2 ARG 87 -4.777 -9.498 9.222 665 HH22 ARG 87 2HH2 ARG 87 -4.975 -10.297 10.730 666 H VAL 88 H VAL 88 -2.874 -1.691 13.375 667 HA VAL 88 HA VAL 88 -3.638 1.019 12.764 668 HB VAL 88 HB VAL 88 -1.099 0.452 14.297 669 HG11 VAL 88 1HG1 VAL 88 -1.874 2.463 15.508 670 HG12 VAL 88 2HG1 VAL 88 -1.723 2.775 13.779 671 HG13 VAL 88 3HG1 VAL 88 -3.325 2.525 14.503 672 HG21 VAL 88 3HG2 VAL 88 -2.511 0.317 16.377 673 HG22 VAL 88 1HG2 VAL 88 -3.930 0.096 15.335 674 HG23 VAL 88 2HG2 VAL 88 -2.627 -1.114 15.353 675 H VAL 89 H VAL 89 -3.135 1.982 10.968 676 HA VAL 89 HA VAL 89 -0.907 1.317 9.274 677 HB VAL 89 HB VAL 89 -2.850 3.706 9.382 678 HG11 VAL 89 1HG1 VAL 89 -2.265 4.082 7.016 679 HG12 VAL 89 2HG1 VAL 89 -1.015 4.533 8.166 680 HG13 VAL 89 3HG1 VAL 89 -0.855 3.014 7.226 681 HG21 VAL 89 3HG2 VAL 89 -2.777 1.253 7.556 682 HG22 VAL 89 1HG2 VAL 89 -3.892 1.462 8.908 683 HG23 VAL 89 2HG2 VAL 89 -3.993 2.561 7.532 684 H VAL 90 H VAL 90 0.986 2.380 9.002 685 HA VAL 90 HA VAL 90 1.632 4.709 10.728 686 HB VAL 90 HB VAL 90 3.436 2.334 10.084 687 HG11 VAL 90 1HG1 VAL 90 4.063 4.977 11.471 688 HG12 VAL 90 2HG1 VAL 90 5.082 3.541 11.564 689 HG13 VAL 90 3HG1 VAL 90 4.825 4.327 10.009 690 HG21 VAL 90 3HG2 VAL 90 3.522 2.045 12.543 691 HG22 VAL 90 1HG2 VAL 90 2.396 3.409 12.744 692 HG23 VAL 90 2HG2 VAL 90 1.850 1.924 11.971 693 H THR 91 H THR 91 2.957 6.271 9.617 694 HA THR 91 HA THR 91 2.568 6.263 6.672 695 HB THR 91 HB THR 91 2.524 8.857 7.381 696 HG1 THR 91 1HG THR 91 2.457 9.086 9.488 697 HG21 THR 91 3HG2 THR 91 0.031 8.703 7.648 698 HG22 THR 91 1HG2 THR 91 0.176 6.943 7.783 699 HG23 THR 91 2HG2 THR 91 0.640 7.760 6.289 700 H LYS 92 H LYS 92 4.310 6.969 5.431 701 HA LYS 92 HA LYS 92 6.345 8.750 6.547 702 HB2 LYS 92 1HB LYS 92 6.888 6.112 5.104 703 HB3 LYS 92 2HB LYS 92 8.006 7.447 4.941 704 HG2 LYS 92 1HG LYS 92 7.322 6.323 7.683 705 HG3 LYS 92 2HG LYS 92 8.526 5.624 6.622 706 HD2 LYS 92 1HD LYS 92 9.797 6.978 7.973 707 HD3 LYS 92 2HD LYS 92 9.647 7.925 6.494 708 HE2 LYS 92 1HE LYS 92 7.795 9.237 7.658 709 HE3 LYS 92 2HE LYS 92 8.132 8.300 9.117 710 HZ1 LYS 92 3HZ LYS 92 9.926 10.198 7.755 711 HZ2 LYS 92 1HZ LYS 92 10.444 9.199 8.955 712 HZ3 LYS 92 2HZ LYS 92 9.258 10.333 9.242 713 H TYR 93 H TYR 93 7.353 9.956 4.613 714 HA TYR 93 HA TYR 93 5.607 10.155 2.257 715 HB2 TYR 93 1HB TYR 93 8.360 11.265 2.925 716 HB3 TYR 93 2HB TYR 93 7.556 11.489 1.381 717 HD1 TYR 93 2HD TYR 93 5.155 12.516 1.372 718 HD2 TYR 93 1HD TYR 93 7.941 12.866 4.667 719 HE1 TYR 93 2HE TYR 93 3.851 14.417 2.278 720 HE2 TYR 93 1HE TYR 93 6.632 14.770 5.567 721 HH TYR 93 HH TYR 93 4.591 15.943 5.419 722 H CYS 94 H CYS 94 6.488 9.524 0.119 723 HA CYS 94 HA CYS 94 8.598 7.453 0.265 724 HB2 CYS 94 1HB CYS 94 5.933 6.798 -0.407 725 HB3 CYS 94 2HB CYS 94 6.741 6.960 -1.961 726 HG CYS 94 HG CYS 94 7.716 4.810 -1.879 727 H ASP 95 H ASP 95 8.783 7.154 -2.634 728 HA ASP 95 HA ASP 95 9.647 9.943 -3.309 729 HB2 ASP 95 1HB ASP 95 10.909 7.349 -4.239 730 HB3 ASP 95 2HB ASP 95 11.380 8.990 -4.678 731 HA PRO 96 HA PRO 96 6.669 9.004 -6.505 732 HB2 PRO 96 1HB PRO 96 6.855 11.213 -8.105 733 HB3 PRO 96 2HB PRO 96 6.123 11.236 -6.482 734 HG2 PRO 96 1HG PRO 96 8.890 12.036 -7.279 735 HG3 PRO 96 2HG PRO 96 7.796 12.855 -6.172 736 HD2 PRO 96 1HD PRO 96 9.854 11.243 -5.338 737 HD3 PRO 96 2HD PRO 96 8.328 11.412 -4.421 738 H ASP 97 H ASP 97 10.054 9.697 -7.339 739 HA ASP 97 HA ASP 97 10.091 8.878 -10.042 740 HB2 ASP 97 1HB ASP 97 12.029 9.308 -7.967 741 HB3 ASP 97 2HB ASP 97 12.322 7.717 -8.621 742 H SER 98 H SER 98 10.536 6.865 -7.068 743 HA SER 98 HA SER 98 10.451 4.437 -8.438 744 HB2 SER 98 1HB SER 98 9.725 4.919 -5.522 745 HB3 SER 98 2HB SER 98 10.410 3.449 -6.236 746 HG SER 98 HG SER 98 12.205 4.855 -6.881 747 H TYR 99 H TYR 99 7.882 6.599 -7.706 748 HA TYR 99 HA TYR 99 5.774 4.615 -7.301 749 HB2 TYR 99 1HB TYR 99 5.949 6.909 -6.176 750 HB3 TYR 99 2HB TYR 99 5.493 7.606 -7.741 751 HD1 TYR 99 1HD TYR 99 3.277 7.008 -8.788 752 HD2 TYR 99 2HD TYR 99 4.299 6.110 -4.692 753 HE1 TYR 99 1HE TYR 99 1.018 6.362 -8.421 754 HE2 TYR 99 2HE TYR 99 1.943 5.636 -4.226 755 HH TYR 99 HH TYR 99 -0.516 5.618 -6.867 756 H HIS 100 H HIS 100 6.926 6.824 -9.810 757 HA HIS 100 HA HIS 100 4.979 6.092 -11.819 758 HB2 HIS 100 1HB HIS 100 7.769 7.296 -12.042 759 HB3 HIS 100 2HB HIS 100 6.537 7.306 -13.299 760 HD1 HIS 100 1HD HIS 100 7.911 9.793 -11.149 761 HD2 HIS 100 2HD HIS 100 3.973 8.325 -11.632 762 HE1 HIS 100 1HE HIS 100 6.360 11.696 -10.617 763 H ARG 101 H ARG 101 7.105 4.066 -10.394 764 HA ARG 101 HA ARG 101 8.062 2.634 -12.802 765 HB2 ARG 101 1HB ARG 101 9.584 3.649 -10.351 766 HB3 ARG 101 2HB ARG 101 10.247 2.442 -11.447 767 HG2 ARG 101 1HG ARG 101 10.002 3.970 -13.342 768 HG3 ARG 101 2HG ARG 101 9.420 5.244 -12.288 769 HD2 ARG 101 1HD ARG 101 11.481 5.805 -11.595 770 HD3 ARG 101 2HD ARG 101 11.915 4.150 -11.205 771 HE ARG 101 HE ARG 101 12.583 5.686 -13.530 772 HH11 ARG 101 1HH1 ARG 101 12.300 2.387 -12.272 773 HH12 ARG 101 2HH1 ARG 101 13.609 1.785 -13.203 774 HH21 ARG 101 1HH2 ARG 101 13.826 4.739 -15.205 775 HH22 ARG 101 2HH2 ARG 101 14.289 3.066 -15.143 776 H ARG 102 H ARG 102 9.436 0.637 -11.466 777 HA ARG 102 HA ARG 102 7.613 -0.560 -9.512 778 HB2 ARG 102 1HB ARG 102 7.567 -1.496 -12.027 779 HB3 ARG 102 2HB ARG 102 9.084 -2.259 -11.543 780 HG2 ARG 102 1HG ARG 102 7.282 -2.717 -9.438 781 HG3 ARG 102 2HG ARG 102 6.334 -2.889 -10.924 782 HD2 ARG 102 1HD ARG 102 8.821 -4.310 -9.963 783 HD3 ARG 102 2HD ARG 102 7.210 -4.958 -10.214 784 HE ARG 102 HE ARG 102 7.742 -4.202 -12.710 785 HH11 ARG 102 1HH1 ARG 102 9.695 -6.185 -10.454 786 HH12 ARG 102 2HH1 ARG 102 10.218 -7.270 -11.675 787 HH21 ARG 102 1HH2 ARG 102 8.583 -5.452 -14.304 788 HH22 ARG 102 2HH2 ARG 102 9.679 -6.790 -13.949 789 H ASP 103 H ASP 103 10.132 1.023 -9.169 790 HA ASP 103 HA ASP 103 12.153 -1.020 -8.502 791 HB2 ASP 103 1HB ASP 103 12.397 1.545 -9.492 792 HB3 ASP 103 2HB ASP 103 12.807 1.790 -7.802 793 H PHE 104 H PHE 104 9.979 -1.585 -7.080 794 HA PHE 104 HA PHE 104 9.831 -0.103 -4.564 795 HB2 PHE 104 1HB PHE 104 8.515 -2.758 -5.111 796 HB3 PHE 104 2HB PHE 104 8.004 -1.484 -4.023 797 HD1 PHE 104 1HD PHE 104 7.706 0.923 -5.639 798 HD2 PHE 104 2HD PHE 104 6.902 -3.184 -6.690 799 HE1 PHE 104 1HE PHE 104 6.037 1.663 -7.368 800 HE2 PHE 104 2HE PHE 104 5.301 -2.444 -8.402 801 HZ PHE 104 HZ PHE 104 4.883 0.003 -8.765 802 H TRP 105 H TRP 105 10.965 -0.656 -2.786 803 HA TRP 105 HA TRP 105 12.159 -3.323 -2.516 804 HB2 TRP 105 1HB TRP 105 13.713 -1.180 -3.359 805 HB3 TRP 105 2HB TRP 105 13.911 -1.110 -1.609 806 HD1 TRP 105 HD TRP 105 14.504 -3.712 -0.546 807 HE1 TRP 105 1HE TRP 105 16.303 -5.332 -1.356 808 HE3 TRP 105 3HE TRP 105 15.062 -1.925 -5.307 809 HZ2 TRP 105 2HZ TRP 105 17.816 -5.794 -3.808 810 HZ3 TRP 105 3HZ TRP 105 16.718 -2.934 -6.843 811 HH2 TRP 105 HH TRP 105 18.119 -4.867 -6.097 Start of MODEL 8 1 H1 GLY 1 H GLY 1 14.758 14.508 6.343 2 HA2 GLY 1 1HA GLY 1 17.481 14.598 5.175 3 HA3 GLY 1 2HA GLY 1 16.405 13.194 5.091 4 H GLY 2 H GLY 2 14.937 13.083 3.449 5 HA2 GLY 2 1HA GLY 2 15.182 14.962 1.249 6 HA3 GLY 2 2HA GLY 2 14.193 13.489 1.300 7 H HIS 3 H HIS 3 12.961 15.438 0.084 8 HA HIS 3 HA HIS 3 11.519 17.301 1.876 9 HB2 HIS 3 1HB HIS 3 10.767 18.207 -0.347 10 HB3 HIS 3 2HB HIS 3 12.499 18.259 -0.084 11 HD1 HIS 3 1HD HIS 3 14.003 16.383 -1.587 12 HD2 HIS 3 2HD HIS 3 9.904 16.914 -2.509 13 HE1 HIS 3 1HE HIS 3 13.645 15.390 -3.849 14 HA PRO 4 HA PRO 4 7.646 14.995 1.498 15 HB2 PRO 4 1HB PRO 4 5.822 17.051 1.305 16 HB3 PRO 4 2HB PRO 4 6.618 16.604 2.848 17 HG2 PRO 4 1HG PRO 4 7.389 18.813 0.932 18 HG3 PRO 4 2HG PRO 4 7.275 18.871 2.721 19 HD2 PRO 4 1HD PRO 4 9.640 18.572 1.496 20 HD3 PRO 4 2HD PRO 4 9.271 17.742 3.034 21 H THR 5 H THR 5 6.229 14.410 -0.222 22 HA THR 5 HA THR 5 6.673 15.596 -2.894 23 HB THR 5 HB THR 5 7.050 13.170 -3.620 24 HG1 THR 5 1HG THR 5 7.848 11.939 -1.581 25 HG21 THR 5 3HG2 THR 5 9.105 14.277 -1.651 26 HG22 THR 5 1HG2 THR 5 9.019 14.576 -3.400 27 HG23 THR 5 2HG2 THR 5 9.388 12.958 -2.768 28 H GLU 6 H GLU 6 4.998 14.424 -4.413 29 HA GLU 6 HA GLU 6 2.345 14.393 -3.169 30 HB2 GLU 6 1HB GLU 6 3.080 13.450 -5.971 31 HB3 GLU 6 2HB GLU 6 1.480 13.940 -5.361 32 HG2 GLU 6 1HG GLU 6 2.237 16.235 -5.087 33 HG3 GLU 6 2HG GLU 6 3.833 15.801 -5.725 34 H VAL 7 H VAL 7 4.654 12.212 -2.589 35 HA VAL 7 HA VAL 7 3.094 9.768 -3.227 36 HB VAL 7 HB VAL 7 6.050 10.388 -3.604 37 HG11 VAL 7 1HG1 VAL 7 4.700 7.833 -4.468 38 HG12 VAL 7 2HG1 VAL 7 6.430 8.203 -4.274 39 HG13 VAL 7 3HG1 VAL 7 5.396 7.947 -2.853 40 HG21 VAL 7 3HG2 VAL 7 3.728 9.886 -5.531 41 HG22 VAL 7 1HG2 VAL 7 4.779 11.319 -5.449 42 HG23 VAL 7 2HG2 VAL 7 5.402 9.781 -6.036 43 H LEU 8 H LEU 8 2.480 8.875 -1.379 44 HA LEU 8 HA LEU 8 4.159 9.151 1.054 45 HB2 LEU 8 1HB LEU 8 2.046 10.612 0.855 46 HB3 LEU 8 2HB LEU 8 1.134 9.111 0.838 47 HG LEU 8 HG LEU 8 2.384 8.608 3.108 48 HD11 LEU 8 1HD1 LEU 8 3.956 10.602 2.841 49 HD12 LEU 8 2HD1 LEU 8 3.053 10.588 4.367 50 HD13 LEU 8 3HD1 LEU 8 2.566 11.661 3.036 51 HD21 LEU 8 3HD2 LEU 8 0.617 9.807 4.341 52 HD22 LEU 8 1HD2 LEU 8 -0.036 9.062 2.878 53 HD23 LEU 8 2HD2 LEU 8 0.273 10.804 2.910 54 H CYS 9 H CYS 9 4.548 7.234 2.047 55 HA CYS 9 HA CYS 9 3.277 4.758 0.905 56 HB2 CYS 9 1HB CYS 9 5.603 4.794 0.524 57 HB3 CYS 9 2HB CYS 9 5.980 5.214 2.191 58 HG CYS 9 HG CYS 9 6.653 2.741 1.420 59 H LEU 10 H LEU 10 2.522 3.200 2.264 60 HA LEU 10 HA LEU 10 1.520 4.196 4.872 61 HB2 LEU 10 1HB LEU 10 -0.012 2.687 2.731 62 HB3 LEU 10 2HB LEU 10 -0.618 3.417 4.216 63 HG LEU 10 HG LEU 10 0.414 5.017 1.857 64 HD11 LEU 10 1HD1 LEU 10 -1.576 3.787 1.244 65 HD12 LEU 10 2HD1 LEU 10 -2.048 5.465 1.545 66 HD13 LEU 10 3HD1 LEU 10 -2.384 4.220 2.762 67 HD21 LEU 10 3HD2 LEU 10 -0.765 6.872 3.047 68 HD22 LEU 10 1HD2 LEU 10 0.605 6.241 3.971 69 HD23 LEU 10 2HD2 LEU 10 -1.058 5.790 4.426 70 H MET 11 H MET 11 2.381 2.843 6.348 71 HA MET 11 HA MET 11 2.876 0.005 5.605 72 HB2 MET 11 1HB MET 11 3.990 1.693 7.868 73 HB3 MET 11 2HB MET 11 4.279 -0.022 7.676 74 HG2 MET 11 1HG MET 11 6.163 0.965 6.732 75 HG3 MET 11 2HG MET 11 5.198 0.406 5.373 76 HE1 MET 11 3HE MET 11 6.401 3.422 7.495 77 HE2 MET 11 1HE MET 11 5.739 4.838 6.639 78 HE3 MET 11 2HE MET 11 4.654 3.750 7.514 79 H ASN 12 H ASN 12 2.536 -1.624 7.163 80 HA ASN 12 HA ASN 12 1.419 -2.971 8.507 81 HB2 ASN 12 1HB ASN 12 0.079 -0.721 9.946 82 HB3 ASN 12 2HB ASN 12 0.474 -2.321 10.551 83 HD21 ASN 12 1HD2 ASN 12 1.141 0.619 11.233 84 HD22 ASN 12 2HD2 ASN 12 2.857 0.613 11.575 85 H MET 13 H MET 13 0.403 -1.987 5.984 86 HA MET 13 HA MET 13 -2.417 -1.360 6.400 87 HB2 MET 13 1HB MET 13 -0.865 -0.298 4.726 88 HB3 MET 13 2HB MET 13 -0.953 -1.754 3.756 89 HG2 MET 13 1HG MET 13 -3.085 -1.257 3.068 90 HG3 MET 13 2HG MET 13 -3.593 -0.726 4.664 91 HE1 MET 13 3HE MET 13 -2.864 1.158 5.804 92 HE2 MET 13 1HE MET 13 -1.297 1.737 5.285 93 HE3 MET 13 2HE MET 13 -2.718 2.808 5.129 94 H VAL 14 H VAL 14 -0.648 -3.943 4.606 95 HA VAL 14 HA VAL 14 -2.911 -5.811 4.903 96 HB VAL 14 HB VAL 14 -2.366 -6.331 2.397 97 HG11 VAL 14 1HG1 VAL 14 -4.014 -4.719 1.602 98 HG12 VAL 14 2HG1 VAL 14 -4.499 -5.353 3.180 99 HG13 VAL 14 3HG1 VAL 14 -3.807 -3.727 3.058 100 HG21 VAL 14 3HG2 VAL 14 -1.409 -3.443 2.371 101 HG22 VAL 14 1HG2 VAL 14 -0.336 -4.858 2.228 102 HG23 VAL 14 2HG2 VAL 14 -1.576 -4.528 1.006 103 H LEU 15 H LEU 15 -2.182 -8.039 4.664 104 HA LEU 15 HA LEU 15 0.654 -8.404 5.436 105 HB2 LEU 15 1HB LEU 15 -1.705 -10.331 5.419 106 HB3 LEU 15 2HB LEU 15 -0.087 -10.726 5.970 107 HG LEU 15 HG LEU 15 -1.917 -8.666 7.266 108 HD11 LEU 15 1HD1 LEU 15 -1.980 -10.337 9.113 109 HD12 LEU 15 2HD1 LEU 15 -1.058 -11.473 8.106 110 HD13 LEU 15 3HD1 LEU 15 -2.681 -10.954 7.617 111 HD21 LEU 15 3HD2 LEU 15 0.368 -7.956 7.597 112 HD22 LEU 15 1HD2 LEU 15 0.874 -9.605 8.037 113 HD23 LEU 15 2HD2 LEU 15 -0.216 -8.678 9.089 114 HA PRO 16 HA PRO 16 1.748 -10.145 1.444 115 HB2 PRO 16 1HB PRO 16 3.830 -11.794 2.077 116 HB3 PRO 16 2HB PRO 16 3.953 -10.011 2.179 117 HG2 PRO 16 1HG PRO 16 3.306 -11.956 4.427 118 HG3 PRO 16 2HG PRO 16 4.565 -10.680 4.408 119 HD2 PRO 16 1HD PRO 16 2.136 -10.235 5.521 120 HD3 PRO 16 2HD PRO 16 2.940 -8.953 4.569 121 H GLU 17 H GLU 17 0.040 -11.778 3.774 122 HA GLU 17 HA GLU 17 -0.197 -14.271 2.193 123 HB2 GLU 17 1HB GLU 17 -0.343 -15.536 4.235 124 HB3 GLU 17 2HB GLU 17 1.203 -14.699 4.115 125 HG2 GLU 17 1HG GLU 17 0.324 -12.918 5.656 126 HG3 GLU 17 2HG GLU 17 -1.148 -13.876 5.872 127 H GLU 18 H GLU 18 -1.775 -11.518 2.709 128 HA GLU 18 HA GLU 18 -4.343 -12.985 2.442 129 HB2 GLU 18 1HB GLU 18 -5.583 -11.376 3.595 130 HB3 GLU 18 2HB GLU 18 -4.224 -11.792 4.636 131 HG2 GLU 18 1HG GLU 18 -3.078 -9.681 3.634 132 HG3 GLU 18 2HG GLU 18 -4.672 -9.244 3.033 133 H LEU 19 H LEU 19 -2.032 -10.836 1.101 134 HA LEU 19 HA LEU 19 -3.780 -9.592 -0.868 135 HB2 LEU 19 1HB LEU 19 -0.761 -9.893 -0.534 136 HB3 LEU 19 2HB LEU 19 -1.487 -9.054 -1.904 137 HG LEU 19 HG LEU 19 -2.040 -8.165 0.927 138 HD11 LEU 19 1HD1 LEU 19 0.142 -7.302 -1.025 139 HD12 LEU 19 2HD1 LEU 19 0.380 -8.097 0.550 140 HD13 LEU 19 3HD1 LEU 19 -0.274 -6.457 0.475 141 HD21 LEU 19 3HD2 LEU 19 -2.650 -6.063 -0.281 142 HD22 LEU 19 1HD2 LEU 19 -3.622 -7.409 -0.859 143 HD23 LEU 19 2HD2 LEU 19 -2.253 -6.844 -1.829 144 H LEU 20 H LEU 20 -4.718 -11.857 -1.325 145 HA LEU 20 HA LEU 20 -3.206 -13.077 -3.615 146 HB2 LEU 20 1HB LEU 20 -4.647 -14.526 -1.368 147 HB3 LEU 20 2HB LEU 20 -4.265 -15.260 -2.910 148 HG LEU 20 HG LEU 20 -2.693 -16.061 -1.431 149 HD11 LEU 20 1HD1 LEU 20 -1.170 -13.856 -2.869 150 HD12 LEU 20 2HD1 LEU 20 -1.728 -15.368 -3.614 151 HD13 LEU 20 3HD1 LEU 20 -0.542 -15.412 -2.297 152 HD21 LEU 20 3HD2 LEU 20 -2.967 -14.370 0.371 153 HD22 LEU 20 1HD2 LEU 20 -1.839 -13.308 -0.505 154 HD23 LEU 20 2HD2 LEU 20 -1.296 -14.881 0.080 155 H ASP 21 H ASP 21 -6.441 -13.005 -2.009 156 HA ASP 21 HA ASP 21 -7.873 -13.967 -4.205 157 HB2 ASP 21 1HB ASP 21 -8.554 -12.565 -1.648 158 HB3 ASP 21 2HB ASP 21 -9.784 -12.554 -2.921 159 H ASP 22 H ASP 22 -8.027 -13.134 -6.146 160 HA ASP 22 HA ASP 22 -7.453 -10.475 -6.928 161 HB2 ASP 22 1HB ASP 22 -9.149 -12.552 -8.380 162 HB3 ASP 22 2HB ASP 22 -8.408 -11.130 -9.110 163 H GLU 23 H GLU 23 -10.355 -11.801 -5.672 164 HA GLU 23 HA GLU 23 -12.106 -9.703 -6.716 165 HB2 GLU 23 1HB GLU 23 -13.877 -10.844 -5.648 166 HB3 GLU 23 2HB GLU 23 -12.915 -11.924 -6.670 167 HG2 GLU 23 1HG GLU 23 -11.689 -12.666 -4.568 168 HG3 GLU 23 2HG GLU 23 -12.894 -11.694 -3.704 169 H GLU 24 H GLU 24 -10.810 -10.668 -3.478 170 HA GLU 24 HA GLU 24 -12.147 -8.643 -2.066 171 HB2 GLU 24 1HB GLU 24 -11.531 -10.866 -1.297 172 HB3 GLU 24 2HB GLU 24 -9.821 -10.557 -1.631 173 HG2 GLU 24 1HG GLU 24 -9.757 -8.864 0.027 174 HG3 GLU 24 2HG GLU 24 -11.463 -9.132 0.480 175 H TYR 25 H TYR 25 -8.877 -9.003 -3.426 176 HA TYR 25 HA TYR 25 -7.539 -6.867 -2.374 177 HB2 TYR 25 1HB TYR 25 -6.437 -8.495 -3.682 178 HB3 TYR 25 2HB TYR 25 -7.519 -8.272 -5.046 179 HD1 TYR 25 2HD TYR 25 -7.380 -6.304 -6.503 180 HD2 TYR 25 1HD TYR 25 -4.414 -7.127 -3.496 181 HE1 TYR 25 2HE TYR 25 -5.799 -4.881 -7.732 182 HE2 TYR 25 1HE TYR 25 -2.760 -5.758 -4.768 183 HH TYR 25 HH TYR 25 -3.691 -4.015 -7.785 184 H GLU 26 H GLU 26 -9.956 -6.664 -5.118 185 HA GLU 26 HA GLU 26 -9.173 -3.974 -5.860 186 HB2 GLU 26 1HB GLU 26 -11.096 -6.155 -6.638 187 HB3 GLU 26 2HB GLU 26 -11.571 -4.535 -6.999 188 HG2 GLU 26 1HG GLU 26 -8.963 -5.818 -7.919 189 HG3 GLU 26 2HG GLU 26 -10.429 -5.749 -8.867 190 H GLU 27 H GLU 27 -11.809 -5.558 -4.022 191 HA GLU 27 HA GLU 27 -13.367 -3.192 -3.693 192 HB2 GLU 27 1HB GLU 27 -13.287 -5.521 -1.752 193 HB3 GLU 27 2HB GLU 27 -14.619 -4.410 -2.065 194 HG2 GLU 27 1HG GLU 27 -13.564 -6.621 -3.847 195 HG3 GLU 27 2HG GLU 27 -15.143 -6.493 -3.102 196 H ILE 28 H ILE 28 -10.559 -4.402 -1.969 197 HA ILE 28 HA ILE 28 -10.780 -2.574 0.285 198 HB ILE 28 HB ILE 28 -8.569 -4.400 -0.731 199 HG12 ILE 28 1HG1 ILE 28 -10.307 -4.640 1.781 200 HG13 ILE 28 2HG1 ILE 28 -10.795 -5.349 0.259 201 HG21 ILE 28 1HG2 ILE 28 -7.444 -2.659 0.516 202 HG22 ILE 28 2HG2 ILE 28 -8.675 -2.695 1.801 203 HG23 ILE 28 3HG2 ILE 28 -7.539 -4.043 1.585 204 HD11 ILE 28 3HD1 ILE 28 -8.259 -6.102 1.756 205 HD12 ILE 28 1HD1 ILE 28 -9.757 -7.035 1.635 206 HD13 ILE 28 2HD1 ILE 28 -8.780 -6.739 0.183 207 H VAL 29 H VAL 29 -9.482 -2.289 -3.001 208 HA VAL 29 HA VAL 29 -7.800 0.026 -2.435 209 HB VAL 29 HB VAL 29 -9.214 -0.828 -5.007 210 HG11 VAL 29 1HG1 VAL 29 -8.657 1.529 -5.149 211 HG12 VAL 29 2HG1 VAL 29 -7.003 1.208 -4.588 212 HG13 VAL 29 3HG1 VAL 29 -7.553 0.597 -6.166 213 HG21 VAL 29 3HG2 VAL 29 -6.246 -1.123 -4.536 214 HG22 VAL 29 1HG2 VAL 29 -7.358 -2.397 -4.010 215 HG23 VAL 29 2HG2 VAL 29 -7.319 -1.943 -5.701 216 H GLU 30 H GLU 30 -11.132 -0.610 -3.461 217 HA GLU 30 HA GLU 30 -11.790 2.054 -4.064 218 HB2 GLU 30 1HB GLU 30 -13.392 -0.481 -3.571 219 HB3 GLU 30 2HB GLU 30 -14.140 1.006 -4.161 220 HG2 GLU 30 1HG GLU 30 -11.703 -0.210 -5.558 221 HG3 GLU 30 2HG GLU 30 -13.331 -0.732 -5.879 222 H ASP 31 H ASP 31 -12.441 0.108 -1.257 223 HA ASP 31 HA ASP 31 -13.989 1.934 0.303 224 HB2 ASP 31 1HB ASP 31 -13.508 -0.512 0.771 225 HB3 ASP 31 2HB ASP 31 -11.902 -0.042 1.307 226 H VAL 32 H VAL 32 -10.487 1.639 -0.088 227 HA VAL 32 HA VAL 32 -9.848 3.647 1.951 228 HB VAL 32 HB VAL 32 -8.271 1.923 -0.010 229 HG11 VAL 32 1HG1 VAL 32 -6.228 2.595 1.242 230 HG12 VAL 32 2HG1 VAL 32 -6.900 3.871 0.242 231 HG13 VAL 32 3HG1 VAL 32 -7.184 3.908 2.002 232 HG21 VAL 32 3HG2 VAL 32 -9.293 0.751 1.897 233 HG22 VAL 32 1HG2 VAL 32 -7.538 0.805 2.086 234 HG23 VAL 32 2HG2 VAL 32 -8.561 1.913 3.029 235 H ARG 33 H ARG 33 -10.221 3.512 -1.552 236 HA ARG 33 HA ARG 33 -8.949 5.976 -2.143 237 HB2 ARG 33 1HB ARG 33 -9.856 4.151 -3.745 238 HB3 ARG 33 2HB ARG 33 -11.414 4.983 -3.643 239 HG2 ARG 33 1HG ARG 33 -10.354 7.053 -4.534 240 HG3 ARG 33 2HG ARG 33 -8.768 6.255 -4.495 241 HD2 ARG 33 1HD ARG 33 -9.823 4.464 -6.024 242 HD3 ARG 33 2HD ARG 33 -11.138 5.611 -6.268 243 HE ARG 33 HE ARG 33 -9.661 7.133 -7.339 244 HH11 ARG 33 1HH1 ARG 33 -8.274 3.903 -7.052 245 HH12 ARG 33 2HH1 ARG 33 -6.757 4.277 -7.783 246 HH21 ARG 33 1HH2 ARG 33 -7.973 7.582 -8.630 247 HH22 ARG 33 2HH2 ARG 33 -6.658 6.486 -8.903 248 H ASP 34 H ASP 34 -12.315 5.323 -1.141 249 HA ASP 34 HA ASP 34 -13.273 8.015 -1.196 250 HB2 ASP 34 1HB ASP 34 -14.928 6.373 -0.944 251 HB3 ASP 34 2HB ASP 34 -14.054 5.527 0.337 252 H GLU 35 H GLU 35 -11.799 6.110 1.507 253 HA GLU 35 HA GLU 35 -12.249 8.121 3.404 254 HB2 GLU 35 1HB GLU 35 -11.227 6.794 4.901 255 HB3 GLU 35 2HB GLU 35 -11.454 5.597 3.645 256 HG2 GLU 35 1HG GLU 35 -9.057 5.871 2.952 257 HG3 GLU 35 2HG GLU 35 -8.865 7.102 4.200 258 H CYS 36 H CYS 36 -9.599 7.663 1.214 259 HA CYS 36 HA CYS 36 -7.862 9.662 2.377 260 HB2 CYS 36 1HB CYS 36 -7.469 7.483 0.924 261 HB3 CYS 36 2HB CYS 36 -7.610 8.615 -0.442 262 HG CYS 36 HG CYS 36 -5.725 10.074 0.115 263 H SER 37 H SER 37 -10.227 9.551 -0.319 264 HA SER 37 HA SER 37 -9.815 12.014 -1.555 265 HB2 SER 37 1HB SER 37 -11.375 10.046 -2.137 266 HB3 SER 37 2HB SER 37 -12.557 10.813 -1.073 267 HG SER 37 HG SER 37 -12.535 12.612 -2.427 268 H LYS 38 H LYS 38 -11.177 11.379 1.628 269 HA LYS 38 HA LYS 38 -12.611 13.805 2.034 270 HB2 LYS 38 1HB LYS 38 -11.084 12.156 4.093 271 HB3 LYS 38 2HB LYS 38 -12.398 13.291 4.395 272 HG2 LYS 38 1HG LYS 38 -13.874 11.823 2.933 273 HG3 LYS 38 2HG LYS 38 -12.584 10.635 2.910 274 HD2 LYS 38 1HD LYS 38 -12.660 10.326 5.297 275 HD3 LYS 38 2HD LYS 38 -13.806 11.673 5.495 276 HE2 LYS 38 1HE LYS 38 -15.470 10.455 4.102 277 HE3 LYS 38 2HE LYS 38 -14.346 9.104 3.937 278 HZ1 LYS 38 3HZ LYS 38 -14.437 8.803 6.310 279 HZ2 LYS 38 1HZ LYS 38 -15.946 8.714 5.675 280 HZ3 LYS 38 2HZ LYS 38 -15.481 10.060 6.511 281 H TYR 39 H TYR 39 -9.132 13.150 2.145 282 HA TYR 39 HA TYR 39 -8.575 15.687 3.560 283 HB2 TYR 39 1HB TYR 39 -6.841 13.301 2.806 284 HB3 TYR 39 2HB TYR 39 -6.275 14.717 3.690 285 HD1 TYR 39 1HD TYR 39 -8.565 11.773 3.849 286 HD2 TYR 39 2HD TYR 39 -6.832 15.082 6.023 287 HE1 TYR 39 1HE TYR 39 -9.591 10.942 5.905 288 HE2 TYR 39 2HE TYR 39 -7.826 14.229 8.110 289 HH TYR 39 HH TYR 39 -9.481 12.789 8.944 290 H GLY 40 H GLY 40 -8.722 14.587 0.346 291 HA2 GLY 40 1HA GLY 40 -8.086 16.570 -1.294 292 HA3 GLY 40 2HA GLY 40 -6.476 16.134 -0.722 293 H LEU 41 H LEU 41 -6.496 15.639 -3.129 294 HA LEU 41 HA LEU 41 -8.101 13.269 -3.756 295 HB2 LEU 41 1HB LEU 41 -8.414 15.207 -5.015 296 HB3 LEU 41 2HB LEU 41 -6.714 15.299 -5.382 297 HG LEU 41 HG LEU 41 -6.867 13.198 -6.722 298 HD11 LEU 41 1HD1 LEU 41 -8.597 11.956 -5.454 299 HD12 LEU 41 2HD1 LEU 41 -9.139 12.178 -7.110 300 HD13 LEU 41 3HD1 LEU 41 -9.784 13.217 -5.817 301 HD21 LEU 41 3HD2 LEU 41 -7.480 15.404 -7.665 302 HD22 LEU 41 1HD2 LEU 41 -9.174 15.056 -7.257 303 HD23 LEU 41 2HD2 LEU 41 -8.328 14.037 -8.455 304 H VAL 42 H VAL 42 -7.399 11.424 -4.042 305 HA VAL 42 HA VAL 42 -4.573 10.634 -4.154 306 HB VAL 42 HB VAL 42 -5.523 9.355 -2.542 307 HG11 VAL 42 1HG1 VAL 42 -7.941 9.738 -2.785 308 HG12 VAL 42 2HG1 VAL 42 -7.976 8.684 -4.222 309 HG13 VAL 42 3HG1 VAL 42 -7.588 8.038 -2.595 310 HG21 VAL 42 3HG2 VAL 42 -4.284 8.020 -4.228 311 HG22 VAL 42 1HG2 VAL 42 -5.474 7.093 -3.314 312 HG23 VAL 42 2HG2 VAL 42 -5.833 7.571 -4.981 313 H LYS 43 H LYS 43 -3.680 9.766 -5.903 314 HA LYS 43 HA LYS 43 -5.055 10.015 -8.523 315 HB2 LYS 43 1HB LYS 43 -2.973 11.300 -8.053 316 HB3 LYS 43 2HB LYS 43 -2.103 9.808 -7.733 317 HG2 LYS 43 1HG LYS 43 -2.374 9.041 -9.995 318 HG3 LYS 43 2HG LYS 43 -3.484 10.379 -10.369 319 HD2 LYS 43 1HD LYS 43 -1.737 12.011 -10.248 320 HD3 LYS 43 2HD LYS 43 -0.630 10.889 -9.469 321 HE2 LYS 43 1HE LYS 43 0.034 11.106 -11.777 322 HE3 LYS 43 2HE LYS 43 -0.548 9.466 -11.466 323 HZ1 LYS 43 3HZ LYS 43 -2.089 11.632 -12.758 324 HZ2 LYS 43 1HZ LYS 43 -2.665 10.110 -12.479 325 HZ3 LYS 43 2HZ LYS 43 -1.407 10.330 -13.516 326 H SER 44 H SER 44 -2.829 7.848 -6.688 327 HA SER 44 HA SER 44 -4.200 5.502 -7.805 328 HB2 SER 44 1HB SER 44 -1.420 6.389 -8.617 329 HB3 SER 44 2HB SER 44 -1.818 4.670 -8.557 330 HG SER 44 HG SER 44 -3.496 6.535 -9.869 331 H ILE 45 H ILE 45 -3.403 3.494 -6.880 332 HA ILE 45 HA ILE 45 -2.443 3.722 -4.096 333 HB ILE 45 HB ILE 45 -5.053 2.505 -5.063 334 HG12 ILE 45 1HG1 ILE 45 -4.664 4.612 -2.891 335 HG13 ILE 45 2HG1 ILE 45 -4.916 5.034 -4.574 336 HG21 ILE 45 1HG2 ILE 45 -3.870 2.465 -2.252 337 HG22 ILE 45 2HG2 ILE 45 -5.400 1.723 -2.748 338 HG23 ILE 45 3HG2 ILE 45 -3.879 1.073 -3.354 339 HD11 ILE 45 3HD1 ILE 45 -7.095 3.838 -4.577 340 HD12 ILE 45 1HD1 ILE 45 -6.880 3.471 -2.848 341 HD13 ILE 45 2HD1 ILE 45 -7.027 5.149 -3.386 342 H GLU 46 H GLU 46 -0.678 2.735 -4.656 343 HA GLU 46 HA GLU 46 -0.673 0.470 -6.516 344 HB2 GLU 46 1HB GLU 46 1.097 2.522 -6.078 345 HB3 GLU 46 2HB GLU 46 1.893 1.222 -5.224 346 HG2 GLU 46 1HG GLU 46 2.788 1.079 -7.341 347 HG3 GLU 46 2HG GLU 46 1.563 -0.186 -7.364 348 H ILE 47 H ILE 47 -1.200 -1.491 -5.726 349 HA ILE 47 HA ILE 47 -0.099 -2.366 -3.097 350 HB ILE 47 HB ILE 47 -2.632 -3.428 -4.379 351 HG12 ILE 47 1HG1 ILE 47 -2.384 -1.069 -2.510 352 HG13 ILE 47 2HG1 ILE 47 -3.074 -1.098 -4.134 353 HG21 ILE 47 1HG2 ILE 47 -1.383 -4.763 -2.602 354 HG22 ILE 47 2HG2 ILE 47 -1.676 -3.433 -1.467 355 HG23 ILE 47 3HG2 ILE 47 -3.028 -4.336 -2.158 356 HD11 ILE 47 3HD1 ILE 47 -4.251 -2.462 -1.703 357 HD12 ILE 47 1HD1 ILE 47 -4.883 -1.059 -2.570 358 HD13 ILE 47 2HD1 ILE 47 -4.848 -2.654 -3.367 359 HA PRO 48 HA PRO 48 1.633 -5.223 -6.280 360 HB2 PRO 48 1HB PRO 48 4.133 -5.528 -5.277 361 HB3 PRO 48 2HB PRO 48 3.670 -4.073 -6.213 362 HG2 PRO 48 1HG PRO 48 3.793 -4.432 -3.243 363 HG3 PRO 48 2HG PRO 48 4.390 -3.031 -4.182 364 HD2 PRO 48 1HD PRO 48 1.975 -3.010 -2.895 365 HD3 PRO 48 2HD PRO 48 2.298 -2.080 -4.384 366 H ARG 49 H ARG 49 1.629 -7.584 -5.940 367 HA ARG 49 HA ARG 49 1.505 -8.504 -3.109 368 HB2 ARG 49 1HB ARG 49 -0.429 -9.751 -3.709 369 HB3 ARG 49 2HB ARG 49 -0.710 -8.083 -4.182 370 HG2 ARG 49 1HG ARG 49 -0.227 -8.702 -6.554 371 HG3 ARG 49 2HG ARG 49 0.147 -10.358 -6.035 372 HD2 ARG 49 1HD ARG 49 -2.248 -10.038 -4.856 373 HD3 ARG 49 2HD ARG 49 -2.489 -8.959 -6.219 374 HE ARG 49 HE ARG 49 -2.231 -11.881 -6.217 375 HH11 ARG 49 1HH1 ARG 49 -2.305 -8.965 -8.212 376 HH12 ARG 49 2HH1 ARG 49 -2.625 -9.808 -9.683 377 HH21 ARG 49 1HH2 ARG 49 -2.726 -12.951 -7.984 378 HH22 ARG 49 2HH2 ARG 49 -3.017 -12.218 -9.536 379 HA PRO 50 HA PRO 50 4.307 -11.676 -4.388 380 HB2 PRO 50 1HB PRO 50 3.500 -13.977 -3.167 381 HB3 PRO 50 2HB PRO 50 4.164 -12.585 -2.257 382 HG2 PRO 50 1HG PRO 50 1.249 -13.282 -2.721 383 HG3 PRO 50 2HG PRO 50 2.058 -12.860 -1.181 384 HD2 PRO 50 1HD PRO 50 0.676 -11.048 -2.606 385 HD3 PRO 50 2HD PRO 50 2.156 -10.576 -1.742 386 H VAL 51 H VAL 51 4.638 -13.387 -5.729 387 HA VAL 51 HA VAL 51 2.362 -14.278 -7.442 388 HB VAL 51 HB VAL 51 5.205 -14.319 -8.344 389 HG11 VAL 51 1HG1 VAL 51 3.598 -15.320 -9.854 390 HG12 VAL 51 2HG1 VAL 51 2.593 -13.860 -9.816 391 HG13 VAL 51 3HG1 VAL 51 4.201 -13.833 -10.572 392 HG21 VAL 51 3HG2 VAL 51 3.506 -11.807 -8.334 393 HG22 VAL 51 1HG2 VAL 51 5.099 -12.012 -7.577 394 HG23 VAL 51 2HG2 VAL 51 4.980 -12.023 -9.324 395 H ASP 52 H ASP 52 2.847 -16.387 -8.451 396 HA ASP 52 HA ASP 52 3.074 -18.544 -6.667 397 HB2 ASP 52 1HB ASP 52 2.948 -18.047 -9.637 398 HB3 ASP 52 2HB ASP 52 3.248 -19.692 -9.041 399 H GLY 53 H GLY 53 5.056 -18.007 -5.787 400 HA2 GLY 53 1HA GLY 53 7.322 -18.662 -5.425 401 HA3 GLY 53 2HA GLY 53 7.283 -19.446 -7.021 402 H VAL 54 H VAL 54 6.336 -15.971 -6.674 403 HA VAL 54 HA VAL 54 9.143 -15.253 -7.067 404 HB VAL 54 HB VAL 54 7.153 -13.655 -8.652 405 HG11 VAL 54 1HG1 VAL 54 9.419 -12.912 -8.280 406 HG12 VAL 54 2HG1 VAL 54 10.037 -14.382 -9.063 407 HG13 VAL 54 3HG1 VAL 54 9.089 -13.199 -10.002 408 HG21 VAL 54 3HG2 VAL 54 8.387 -16.142 -9.864 409 HG22 VAL 54 1HG2 VAL 54 6.651 -15.948 -9.496 410 HG23 VAL 54 2HG2 VAL 54 7.403 -14.896 -10.673 411 H GLU 55 H GLU 55 9.612 -13.781 -5.547 412 HA GLU 55 HA GLU 55 7.613 -12.382 -4.010 413 HB2 GLU 55 1HB GLU 55 10.494 -11.492 -4.281 414 HB3 GLU 55 2HB GLU 55 9.378 -11.272 -2.943 415 HG2 GLU 55 1HG GLU 55 10.721 -12.907 -2.112 416 HG3 GLU 55 2HG GLU 55 9.433 -13.910 -2.772 417 H VAL 56 H VAL 56 7.705 -9.933 -3.928 418 HA VAL 56 HA VAL 56 8.428 -8.573 -6.422 419 HB VAL 56 HB VAL 56 6.485 -7.015 -5.443 420 HG11 VAL 56 1HG1 VAL 56 6.661 -7.743 -7.794 421 HG12 VAL 56 2HG1 VAL 56 6.035 -9.346 -7.356 422 HG13 VAL 56 3HG1 VAL 56 4.990 -7.909 -7.220 423 HG21 VAL 56 3HG2 VAL 56 5.883 -8.755 -3.704 424 HG22 VAL 56 1HG2 VAL 56 4.557 -8.146 -4.699 425 HG23 VAL 56 2HG2 VAL 56 5.270 -9.755 -5.025 426 HA PRO 57 HA PRO 57 10.779 -6.266 -3.474 427 HB2 PRO 57 1HB PRO 57 11.323 -3.948 -4.779 428 HB3 PRO 57 2HB PRO 57 12.031 -5.508 -5.283 429 HG2 PRO 57 1HG PRO 57 9.588 -4.137 -6.454 430 HG3 PRO 57 2HG PRO 57 10.983 -4.842 -7.328 431 HD2 PRO 57 1HD PRO 57 8.632 -6.211 -6.940 432 HD3 PRO 57 2HD PRO 57 10.211 -7.048 -6.958 433 H GLY 58 H GLY 58 10.183 -5.071 -1.792 434 HA2 GLY 58 1HA GLY 58 9.188 -3.500 -0.463 435 HA3 GLY 58 2HA GLY 58 8.682 -2.663 -1.937 436 H CYS 59 H CYS 59 7.775 -5.978 -1.250 437 HA CYS 59 HA CYS 59 4.965 -5.528 -1.530 438 HB2 CYS 59 1HB CYS 59 6.407 -7.569 -2.128 439 HB3 CYS 59 2HB CYS 59 6.409 -7.958 -0.402 440 HG CYS 59 HG CYS 59 4.718 -9.508 -1.379 441 H GLY 60 H GLY 60 3.308 -5.864 0.121 442 HA2 GLY 60 1HA GLY 60 2.685 -6.465 2.362 443 HA3 GLY 60 2HA GLY 60 4.201 -5.748 2.946 444 H LYS 61 H LYS 61 3.507 -3.452 0.862 445 HA LYS 61 HA LYS 61 1.912 -1.852 2.831 446 HB2 LYS 61 1HB LYS 61 3.759 -0.050 2.477 447 HB3 LYS 61 2HB LYS 61 4.104 -1.350 3.628 448 HG2 LYS 61 1HG LYS 61 4.958 -1.563 0.736 449 HG3 LYS 61 2HG LYS 61 5.829 -0.529 1.832 450 HD2 LYS 61 1HD LYS 61 5.426 -3.393 2.685 451 HD3 LYS 61 2HD LYS 61 6.571 -3.017 1.408 452 HE2 LYS 61 1HE LYS 61 7.305 -1.113 3.188 453 HE3 LYS 61 2HE LYS 61 6.675 -2.324 4.318 454 HZ1 LYS 61 3HZ LYS 61 8.194 -3.914 3.326 455 HZ2 LYS 61 1HZ LYS 61 9.050 -2.603 3.838 456 HZ3 LYS 61 2HZ LYS 61 8.767 -2.773 2.261 457 H ILE 62 H ILE 62 1.035 0.149 2.024 458 HA ILE 62 HA ILE 62 0.604 -0.108 -0.922 459 HB ILE 62 HB ILE 62 -1.087 1.135 1.248 460 HG12 ILE 62 1HG1 ILE 62 -1.139 -1.412 -0.421 461 HG13 ILE 62 2HG1 ILE 62 -1.189 -1.261 1.331 462 HG21 ILE 62 1HG2 ILE 62 -1.275 2.472 -0.826 463 HG22 ILE 62 2HG2 ILE 62 -1.608 0.991 -1.753 464 HG23 ILE 62 3HG2 ILE 62 -2.740 1.570 -0.505 465 HD11 ILE 62 3HD1 ILE 62 -3.521 -0.347 1.132 466 HD12 ILE 62 1HD1 ILE 62 -3.417 -0.618 -0.604 467 HD13 ILE 62 2HD1 ILE 62 -3.312 -2.001 0.496 468 H PHE 63 H PHE 63 1.018 1.608 -2.215 469 HA PHE 63 HA PHE 63 2.384 3.982 -1.007 470 HB2 PHE 63 1HB PHE 63 2.698 2.861 -3.805 471 HB3 PHE 63 2HB PHE 63 3.684 4.088 -3.016 472 HD1 PHE 63 1HD PHE 63 5.337 3.426 -1.259 473 HD2 PHE 63 2HD PHE 63 2.979 0.498 -3.364 474 HE1 PHE 63 1HE PHE 63 6.805 1.612 -0.409 475 HE2 PHE 63 2HE PHE 63 4.477 -1.281 -2.578 476 HZ PHE 63 HZ PHE 63 6.437 -0.732 -1.152 477 H VAL 64 H VAL 64 1.249 5.910 -1.314 478 HA VAL 64 HA VAL 64 -1.083 5.775 -3.149 479 HB VAL 64 HB VAL 64 -1.821 5.649 -0.831 480 HG11 VAL 64 1HG1 VAL 64 -0.191 7.008 0.382 481 HG12 VAL 64 2HG1 VAL 64 -0.715 8.468 -0.495 482 HG13 VAL 64 3HG1 VAL 64 -1.817 7.646 0.618 483 HG21 VAL 64 3HG2 VAL 64 -2.598 8.200 -2.290 484 HG22 VAL 64 1HG2 VAL 64 -3.222 6.567 -2.594 485 HG23 VAL 64 2HG2 VAL 64 -3.558 7.357 -1.053 486 H GLU 65 H GLU 65 -0.957 7.116 -4.740 487 HA GLU 65 HA GLU 65 1.028 9.341 -4.735 488 HB2 GLU 65 1HB GLU 65 1.166 7.558 -6.450 489 HB3 GLU 65 2HB GLU 65 -0.477 7.935 -6.989 490 HG2 GLU 65 1HG GLU 65 0.311 10.201 -7.608 491 HG3 GLU 65 2HG GLU 65 1.927 9.811 -7.040 492 H PHE 66 H PHE 66 0.214 11.420 -5.002 493 HA PHE 66 HA PHE 66 -2.738 11.809 -4.861 494 HB2 PHE 66 1HB PHE 66 -0.482 12.887 -3.224 495 HB3 PHE 66 2HB PHE 66 -1.689 14.042 -3.667 496 HD1 PHE 66 2HD PHE 66 -1.585 10.527 -2.272 497 HD2 PHE 66 1HD PHE 66 -3.501 14.371 -2.296 498 HE1 PHE 66 2HE PHE 66 -2.847 9.911 -0.232 499 HE2 PHE 66 1HE PHE 66 -4.738 13.777 -0.216 500 HZ PHE 66 HZ PHE 66 -4.387 11.545 0.820 501 H THR 67 H THR 67 -2.785 14.510 -5.240 502 HA THR 67 HA THR 67 -1.719 14.850 -8.015 503 HB THR 67 HB THR 67 -3.830 16.127 -8.404 504 HG1 THR 67 1HG THR 67 -4.660 14.969 -5.953 505 HG21 THR 67 3HG2 THR 67 -3.712 13.714 -9.029 506 HG22 THR 67 1HG2 THR 67 -5.350 14.228 -8.573 507 HG23 THR 67 2HG2 THR 67 -4.375 13.286 -7.431 508 H SER 68 H SER 68 -1.192 15.943 -4.959 509 HA SER 68 HA SER 68 0.013 18.371 -5.792 510 HB2 SER 68 1HB SER 68 -2.463 18.366 -4.000 511 HB3 SER 68 2HB SER 68 -1.335 19.733 -4.026 512 HG SER 68 HG SER 68 -1.992 20.288 -5.969 513 H VAL 69 H VAL 69 1.565 18.988 -4.246 514 HA VAL 69 HA VAL 69 2.349 16.965 -2.350 515 HB VAL 69 HB VAL 69 3.460 19.770 -2.816 516 HG11 VAL 69 1HG1 VAL 69 5.627 18.701 -1.958 517 HG12 VAL 69 2HG1 VAL 69 4.400 18.981 -0.731 518 HG13 VAL 69 3HG1 VAL 69 4.633 17.345 -1.376 519 HG21 VAL 69 3HG2 VAL 69 3.524 18.369 -4.877 520 HG22 VAL 69 1HG2 VAL 69 5.137 18.647 -4.231 521 HG23 VAL 69 2HG2 VAL 69 4.353 17.093 -3.944 522 H PHE 70 H PHE 70 0.146 19.592 -2.057 523 HA PHE 70 HA PHE 70 0.572 19.835 0.877 524 HB2 PHE 70 1HB PHE 70 -1.092 21.273 -1.169 525 HB3 PHE 70 2HB PHE 70 -1.617 21.270 0.519 526 HD1 PHE 70 2HD PHE 70 1.223 22.199 -1.729 527 HD2 PHE 70 1HD PHE 70 -0.387 22.398 2.267 528 HE1 PHE 70 2HE PHE 70 2.951 23.854 -1.106 529 HE2 PHE 70 1HE PHE 70 1.337 24.050 2.877 530 HZ PHE 70 HZ PHE 70 3.019 24.787 1.212 531 H ASP 71 H ASP 71 -1.803 18.464 -1.422 532 HA ASP 71 HA ASP 71 -3.762 17.789 0.463 533 HB2 ASP 71 1HB ASP 71 -3.034 16.692 -2.278 534 HB3 ASP 71 2HB ASP 71 -4.443 16.142 -1.369 535 H CYS 72 H CYS 72 -0.872 15.994 -0.561 536 HA CYS 72 HA CYS 72 -1.561 13.561 0.841 537 HB2 CYS 72 1HB CYS 72 0.880 13.058 0.465 538 HB3 CYS 72 2HB CYS 72 0.011 13.463 -1.017 539 HG CYS 72 HG CYS 72 2.551 14.452 -0.816 540 H GLN 73 H GLN 73 0.225 16.575 1.672 541 HA GLN 73 HA GLN 73 1.208 15.662 4.191 542 HB2 GLN 73 1HB GLN 73 0.803 18.400 2.903 543 HB3 GLN 73 2HB GLN 73 1.373 18.198 4.540 544 HG2 GLN 73 1HG GLN 73 3.220 16.773 3.723 545 HG3 GLN 73 2HG GLN 73 2.720 17.043 2.070 546 HE21 GLN 73 1HE2 GLN 73 3.267 18.967 1.106 547 HE22 GLN 73 2HE2 GLN 73 4.246 20.251 1.796 548 H LYS 74 H LYS 74 -1.926 17.099 3.152 549 HA LYS 74 HA LYS 74 -2.945 17.493 5.809 550 HB2 LYS 74 1HB LYS 74 -4.506 16.693 3.301 551 HB3 LYS 74 2HB LYS 74 -5.139 17.367 4.789 552 HG2 LYS 74 1HG LYS 74 -3.720 19.448 4.319 553 HG3 LYS 74 2HG LYS 74 -3.419 18.735 2.709 554 HD2 LYS 74 1HD LYS 74 -5.776 18.708 2.197 555 HD3 LYS 74 2HD LYS 74 -6.203 19.267 3.832 556 HE2 LYS 74 1HE LYS 74 -5.028 21.393 3.400 557 HE3 LYS 74 2HE LYS 74 -4.520 20.795 1.810 558 HZ1 LYS 74 3HZ LYS 74 -7.308 21.307 2.653 559 HZ2 LYS 74 1HZ LYS 74 -6.881 20.641 1.207 560 HZ3 LYS 74 2HZ LYS 74 -6.404 22.178 1.574 561 H ALA 75 H ALA 75 -3.283 14.803 3.470 562 HA ALA 75 HA ALA 75 -4.743 13.080 5.114 563 HB1 ALA 75 1HB ALA 75 -2.748 12.349 2.915 564 HB2 ALA 75 2HB ALA 75 -4.071 11.332 3.518 565 HB3 ALA 75 3HB ALA 75 -4.438 12.846 2.667 566 H MET 76 H MET 76 -1.134 13.111 4.659 567 HA MET 76 HA MET 76 -0.331 11.036 6.091 568 HB2 MET 76 1HB MET 76 1.284 12.343 5.027 569 HB3 MET 76 2HB MET 76 0.745 13.853 5.767 570 HG2 MET 76 1HG MET 76 1.785 13.418 7.814 571 HG3 MET 76 2HG MET 76 1.876 11.687 7.505 572 HE1 MET 76 3HE MET 76 4.102 11.276 8.203 573 HE2 MET 76 1HE MET 76 3.667 10.505 6.664 574 HE3 MET 76 2HE MET 76 5.314 11.171 6.891 575 H GLN 77 H GLN 77 -0.803 14.213 7.599 576 HA GLN 77 HA GLN 77 -0.556 13.146 10.277 577 HB2 GLN 77 1HB GLN 77 -0.782 15.411 11.031 578 HB3 GLN 77 2HB GLN 77 0.397 15.240 9.731 579 HG2 GLN 77 1HG GLN 77 -1.462 15.972 8.132 580 HG3 GLN 77 2HG GLN 77 -2.369 16.433 9.563 581 HE21 GLN 77 1HE2 GLN 77 0.026 17.397 7.315 582 HE22 GLN 77 2HE2 GLN 77 0.743 18.723 8.214 583 H GLY 78 H GLY 78 -3.298 14.083 8.195 584 HA2 GLY 78 1HA GLY 78 -5.358 14.158 10.137 585 HA3 GLY 78 2HA GLY 78 -5.516 13.827 8.413 586 H LEU 79 H LEU 79 -3.837 11.493 8.384 587 HA LEU 79 HA LEU 79 -5.724 9.525 9.528 588 HB2 LEU 79 1HB LEU 79 -4.109 9.554 6.969 589 HB3 LEU 79 2HB LEU 79 -5.017 8.155 7.525 590 HG LEU 79 HG LEU 79 -6.331 10.856 7.017 591 HD11 LEU 79 1HD1 LEU 79 -7.073 9.950 4.879 592 HD12 LEU 79 2HD1 LEU 79 -6.203 8.453 5.178 593 HD13 LEU 79 3HD1 LEU 79 -5.303 9.968 4.950 594 HD21 LEU 79 3HD2 LEU 79 -7.371 8.032 7.573 595 HD22 LEU 79 1HD2 LEU 79 -8.371 9.268 6.821 596 HD23 LEU 79 2HD2 LEU 79 -7.736 9.551 8.436 597 H THR 80 H THR 80 -2.931 10.638 10.516 598 HA THR 80 HA THR 80 -1.165 8.377 10.699 599 HB THR 80 HB THR 80 -1.706 10.719 12.574 600 HG1 THR 80 1HG THR 80 -0.638 10.823 10.252 601 HG21 THR 80 3HG2 THR 80 0.510 8.629 12.525 602 HG22 THR 80 1HG2 THR 80 -0.550 9.053 13.882 603 HG23 THR 80 2HG2 THR 80 0.700 10.184 13.335 604 H GLY 81 H GLY 81 -1.612 6.423 11.698 605 HA2 GLY 81 1HA GLY 81 -2.111 5.071 13.407 606 HA3 GLY 81 2HA GLY 81 -2.767 6.419 14.343 607 H ARG 82 H ARG 82 -4.366 6.613 11.357 608 HA ARG 82 HA ARG 82 -6.734 5.311 12.332 609 HB2 ARG 82 1HB ARG 82 -6.008 6.582 9.659 610 HB3 ARG 82 2HB ARG 82 -7.598 6.081 10.160 611 HG2 ARG 82 1HG ARG 82 -6.005 8.327 11.403 612 HG3 ARG 82 2HG ARG 82 -7.448 8.455 10.406 613 HD2 ARG 82 1HD ARG 82 -8.727 8.460 12.220 614 HD3 ARG 82 2HD ARG 82 -8.239 6.820 12.573 615 HE ARG 82 HE ARG 82 -6.972 7.552 14.282 616 HH11 ARG 82 1HH1 ARG 82 -7.767 10.390 12.284 617 HH12 ARG 82 2HH1 ARG 82 -6.980 11.528 13.302 618 HH21 ARG 82 1HH2 ARG 82 -6.003 9.087 15.725 619 HH22 ARG 82 2HH2 ARG 82 -5.990 10.767 15.377 620 H LYS 83 H LYS 83 -7.747 3.883 10.230 621 HA LYS 83 HA LYS 83 -5.909 1.579 10.094 622 HB2 LYS 83 1HB LYS 83 -8.698 1.818 11.261 623 HB3 LYS 83 2HB LYS 83 -7.991 0.268 10.808 624 HG2 LYS 83 1HG LYS 83 -6.623 0.191 12.543 625 HG3 LYS 83 2HG LYS 83 -6.104 1.843 12.465 626 HD2 LYS 83 1HD LYS 83 -8.811 1.064 13.568 627 HD3 LYS 83 2HD LYS 83 -7.351 1.157 14.579 628 HE2 LYS 83 1HE LYS 83 -6.986 3.503 13.940 629 HE3 LYS 83 2HE LYS 83 -8.364 3.439 12.830 630 HZ1 LYS 83 3HZ LYS 83 -9.807 3.098 14.723 631 HZ2 LYS 83 1HZ LYS 83 -8.937 4.498 14.894 632 HZ3 LYS 83 2HZ LYS 83 -8.542 3.184 15.769 633 H PHE 84 H PHE 84 -5.640 1.374 7.932 634 HA PHE 84 HA PHE 84 -7.800 2.102 6.028 635 HB2 PHE 84 1HB PHE 84 -4.863 1.527 5.993 636 HB3 PHE 84 2HB PHE 84 -5.667 1.217 4.515 637 HD1 PHE 84 1HD PHE 84 -6.438 4.112 6.869 638 HD2 PHE 84 2HD PHE 84 -4.821 2.818 3.077 639 HE1 PHE 84 1HE PHE 84 -6.323 6.431 6.112 640 HE2 PHE 84 2HE PHE 84 -4.684 5.158 2.332 641 HZ PHE 84 HZ PHE 84 -5.451 6.979 3.802 642 H ALA 85 H ALA 85 -7.720 -0.320 7.798 643 HA ALA 85 HA ALA 85 -9.277 -2.010 6.315 644 HB1 ALA 85 1HB ALA 85 -6.494 -3.221 6.712 645 HB2 ALA 85 2HB ALA 85 -7.960 -4.139 6.353 646 HB3 ALA 85 3HB ALA 85 -7.337 -2.972 5.181 647 H ASN 86 H ASN 86 -6.762 -2.736 8.693 648 HA ASN 86 HA ASN 86 -8.810 -2.760 10.885 649 HB2 ASN 86 1HB ASN 86 -8.143 -5.055 9.431 650 HB3 ASN 86 2HB ASN 86 -7.018 -5.142 10.769 651 HD21 ASN 86 1HD2 ASN 86 -10.362 -5.425 9.758 652 HD22 ASN 86 2HD2 ASN 86 -10.967 -5.958 11.308 653 H ARG 87 H ARG 87 -5.439 -2.618 9.875 654 HA ARG 87 HA ARG 87 -4.511 -2.555 12.700 655 HB2 ARG 87 1HB ARG 87 -3.118 -2.837 10.035 656 HB3 ARG 87 2HB ARG 87 -2.244 -2.760 11.572 657 HG2 ARG 87 1HG ARG 87 -3.480 -4.760 12.355 658 HG3 ARG 87 2HG ARG 87 -4.240 -4.920 10.769 659 HD2 ARG 87 1HD ARG 87 -2.236 -5.528 9.697 660 HD3 ARG 87 2HD ARG 87 -1.232 -4.721 10.903 661 HE ARG 87 HE ARG 87 -1.354 -6.516 12.347 662 HH11 ARG 87 1HH1 ARG 87 -3.327 -7.295 9.434 663 HH12 ARG 87 2HH1 ARG 87 -3.810 -8.819 10.083 664 HH21 ARG 87 1HH2 ARG 87 -1.808 -8.575 13.004 665 HH22 ARG 87 2HH2 ARG 87 -2.771 -9.656 12.026 666 H VAL 88 H VAL 88 -2.651 -1.073 13.112 667 HA VAL 88 HA VAL 88 -3.588 1.640 12.698 668 HB VAL 88 HB VAL 88 -1.122 0.539 14.150 669 HG11 VAL 88 1HG1 VAL 88 -2.507 3.226 14.485 670 HG12 VAL 88 2HG1 VAL 88 -1.070 2.642 15.337 671 HG13 VAL 88 3HG1 VAL 88 -0.963 2.989 13.621 672 HG21 VAL 88 3HG2 VAL 88 -3.110 -0.374 15.209 673 HG22 VAL 88 1HG2 VAL 88 -2.574 0.983 16.216 674 HG23 VAL 88 2HG2 VAL 88 -3.940 1.198 15.123 675 H VAL 89 H VAL 89 -3.147 2.717 10.903 676 HA VAL 89 HA VAL 89 -1.012 2.069 9.103 677 HB VAL 89 HB VAL 89 -3.014 4.380 9.268 678 HG11 VAL 89 1HG1 VAL 89 -1.194 3.593 6.972 679 HG12 VAL 89 2HG1 VAL 89 -2.619 4.662 6.848 680 HG13 VAL 89 3HG1 VAL 89 -1.244 5.142 7.848 681 HG21 VAL 89 3HG2 VAL 89 -4.151 3.053 7.473 682 HG22 VAL 89 1HG2 VAL 89 -2.973 1.732 7.764 683 HG23 VAL 89 2HG2 VAL 89 -4.104 2.197 9.011 684 H VAL 90 H VAL 90 0.916 2.974 8.870 685 HA VAL 90 HA VAL 90 1.603 5.465 10.355 686 HB VAL 90 HB VAL 90 3.401 3.128 9.572 687 HG11 VAL 90 1HG1 VAL 90 4.663 5.189 9.246 688 HG12 VAL 90 2HG1 VAL 90 4.089 5.845 10.770 689 HG13 VAL 90 3HG1 VAL 90 5.205 4.447 10.745 690 HG21 VAL 90 3HG2 VAL 90 2.707 4.225 12.330 691 HG22 VAL 90 1HG2 VAL 90 2.052 2.751 11.647 692 HG23 VAL 90 2HG2 VAL 90 3.790 2.861 11.961 693 H THR 91 H THR 91 2.512 7.062 9.054 694 HA THR 91 HA THR 91 2.322 6.651 6.117 695 HB THR 91 HB THR 91 1.854 9.178 6.225 696 HG1 THR 91 1HG THR 91 0.895 9.810 8.264 697 HG21 THR 91 3HG2 THR 91 0.053 7.522 5.849 698 HG22 THR 91 1HG2 THR 91 -0.527 8.870 6.826 699 HG23 THR 91 2HG2 THR 91 -0.150 7.321 7.599 700 H LYS 92 H LYS 92 4.104 7.442 4.820 701 HA LYS 92 HA LYS 92 6.089 9.129 6.150 702 HB2 LYS 92 1HB LYS 92 8.002 7.865 5.668 703 HB3 LYS 92 2HB LYS 92 6.913 6.833 6.563 704 HG2 LYS 92 1HG LYS 92 7.595 5.321 5.105 705 HG3 LYS 92 2HG LYS 92 6.246 5.931 4.175 706 HD2 LYS 92 1HD LYS 92 8.238 5.564 2.778 707 HD3 LYS 92 2HD LYS 92 7.846 7.274 2.819 708 HE2 LYS 92 1HE LYS 92 9.641 7.502 4.663 709 HE3 LYS 92 2HE LYS 92 10.060 5.810 4.339 710 HZ1 LYS 92 3HZ LYS 92 10.202 8.038 2.396 711 HZ2 LYS 92 1HZ LYS 92 10.636 6.481 2.065 712 HZ3 LYS 92 2HZ LYS 92 11.473 7.389 3.138 713 H TYR 93 H TYR 93 7.384 10.294 4.666 714 HA TYR 93 HA TYR 93 6.154 10.761 2.018 715 HB2 TYR 93 1HB TYR 93 8.710 11.871 3.258 716 HB3 TYR 93 2HB TYR 93 7.998 12.389 1.737 717 HD1 TYR 93 1HD TYR 93 5.252 12.903 2.113 718 HD2 TYR 93 2HD TYR 93 8.476 13.435 4.929 719 HE1 TYR 93 1HE TYR 93 3.981 14.692 3.227 720 HE2 TYR 93 2HE TYR 93 7.206 15.187 6.092 721 HH TYR 93 HH TYR 93 5.078 16.051 6.354 722 H CYS 94 H CYS 94 6.725 9.562 0.279 723 HA CYS 94 HA CYS 94 9.244 7.985 0.311 724 HB2 CYS 94 1HB CYS 94 6.553 7.714 -0.925 725 HB3 CYS 94 2HB CYS 94 7.889 7.455 -2.045 726 HG CYS 94 HG CYS 94 9.056 5.572 -0.902 727 H ASP 95 H ASP 95 9.966 7.954 -2.237 728 HA ASP 95 HA ASP 95 10.181 10.788 -3.119 729 HB2 ASP 95 1HB ASP 95 11.895 8.424 -3.945 730 HB3 ASP 95 2HB ASP 95 11.937 10.043 -4.646 731 HA PRO 96 HA PRO 96 7.395 9.254 -6.330 732 HB2 PRO 96 1HB PRO 96 7.829 11.186 -8.276 733 HB3 PRO 96 2HB PRO 96 6.816 11.454 -6.840 734 HG2 PRO 96 1HG PRO 96 9.689 12.230 -7.277 735 HG3 PRO 96 2HG PRO 96 8.394 13.193 -6.530 736 HD2 PRO 96 1HD PRO 96 10.258 11.846 -5.072 737 HD3 PRO 96 2HD PRO 96 8.567 11.988 -4.518 738 H ASP 97 H ASP 97 10.785 9.972 -6.967 739 HA ASP 97 HA ASP 97 11.330 8.765 -9.393 740 HB2 ASP 97 1HB ASP 97 12.950 9.638 -7.393 741 HB3 ASP 97 2HB ASP 97 13.020 7.865 -7.095 742 H SER 98 H SER 98 10.850 7.170 -6.217 743 HA SER 98 HA SER 98 11.119 4.602 -7.492 744 HB2 SER 98 1HB SER 98 11.088 3.912 -4.909 745 HB3 SER 98 2HB SER 98 12.488 4.384 -5.849 746 HG SER 98 HG SER 98 12.804 5.821 -4.482 747 H TYR 99 H TYR 99 8.596 6.490 -7.423 748 HA TYR 99 HA TYR 99 6.616 4.337 -6.797 749 HB2 TYR 99 1HB TYR 99 6.154 6.528 -5.739 750 HB3 TYR 99 2HB TYR 99 6.105 7.294 -7.321 751 HD1 TYR 99 1HD TYR 99 4.410 4.951 -5.014 752 HD2 TYR 99 2HD TYR 99 4.130 7.019 -8.784 753 HE1 TYR 99 1HE TYR 99 2.006 4.310 -5.222 754 HE2 TYR 99 2HE TYR 99 1.807 6.255 -9.038 755 HH TYR 99 HH TYR 99 0.394 3.856 -7.751 756 H HIS 100 H HIS 100 7.824 6.676 -9.209 757 HA HIS 100 HA HIS 100 6.078 6.224 -11.316 758 HB2 HIS 100 1HB HIS 100 9.056 6.866 -11.351 759 HB3 HIS 100 2HB HIS 100 7.970 7.052 -12.719 760 HD1 HIS 100 1HD HIS 100 9.537 9.516 -11.649 761 HD2 HIS 100 2HD HIS 100 5.611 8.423 -10.576 762 HE1 HIS 100 1HE HIS 100 8.383 11.646 -10.895 763 H ARG 101 H ARG 101 8.288 3.910 -10.117 764 HA ARG 101 HA ARG 101 8.442 2.410 -12.668 765 HB2 ARG 101 1HB ARG 101 10.679 3.105 -10.701 766 HB3 ARG 101 2HB ARG 101 10.836 1.883 -11.947 767 HG2 ARG 101 1HG ARG 101 10.027 3.843 -13.575 768 HG3 ARG 101 2HG ARG 101 10.641 4.861 -12.251 769 HD2 ARG 101 1HD ARG 101 12.771 3.438 -12.362 770 HD3 ARG 101 2HD ARG 101 12.133 2.751 -13.872 771 HE ARG 101 HE ARG 101 11.985 5.545 -14.093 772 HH11 ARG 101 1HH1 ARG 101 14.567 3.053 -13.945 773 HH12 ARG 101 2HH1 ARG 101 15.824 4.242 -13.871 774 HH21 ARG 101 1HH2 ARG 101 13.736 7.035 -14.297 775 HH22 ARG 101 2HH2 ARG 101 15.375 6.440 -14.242 776 H ARG 102 H ARG 102 9.789 0.226 -11.696 777 HA ARG 102 HA ARG 102 8.002 -0.871 -9.622 778 HB2 ARG 102 1HB ARG 102 8.391 -1.768 -12.077 779 HB3 ARG 102 2HB ARG 102 9.818 -2.492 -11.401 780 HG2 ARG 102 1HG ARG 102 8.348 -4.213 -11.045 781 HG3 ARG 102 2HG ARG 102 8.026 -3.337 -9.536 782 HD2 ARG 102 1HD ARG 102 6.341 -1.976 -11.074 783 HD3 ARG 102 2HD ARG 102 6.499 -3.345 -12.164 784 HE ARG 102 HE ARG 102 5.210 -3.241 -9.490 785 HH11 ARG 102 1HH1 ARG 102 5.848 -5.354 -12.356 786 HH12 ARG 102 2HH1 ARG 102 4.352 -6.208 -12.054 787 HH21 ARG 102 1HH2 ARG 102 3.414 -4.450 -9.201 788 HH22 ARG 102 2HH2 ARG 102 3.046 -5.758 -10.308 789 H ASP 103 H ASP 103 10.016 0.891 -8.666 790 HA ASP 103 HA ASP 103 12.281 -0.756 -7.763 791 HB2 ASP 103 1HB ASP 103 12.497 1.544 -9.047 792 HB3 ASP 103 2HB ASP 103 12.043 2.271 -7.521 793 H PHE 104 H PHE 104 9.639 -0.801 -6.431 794 HA PHE 104 HA PHE 104 9.590 0.898 -4.154 795 HB2 PHE 104 1HB PHE 104 8.286 -1.807 -4.048 796 HB3 PHE 104 2HB PHE 104 7.744 -0.277 -3.381 797 HD1 PHE 104 2HD PHE 104 7.025 1.588 -5.105 798 HD2 PHE 104 1HD PHE 104 7.605 -2.564 -6.139 799 HE1 PHE 104 2HE PHE 104 5.837 1.953 -7.270 800 HE2 PHE 104 1HE PHE 104 6.431 -2.189 -8.276 801 HZ PHE 104 HZ PHE 104 5.570 0.063 -8.869 802 H TRP 105 H TRP 105 11.067 0.999 -2.550 803 HA TRP 105 HA TRP 105 12.269 -1.529 -1.546 804 HB2 TRP 105 1HB TRP 105 13.236 1.330 -1.615 805 HB3 TRP 105 2HB TRP 105 13.654 0.342 -0.225 806 HD1 TRP 105 HD TRP 105 13.541 -1.010 -3.828 807 HE1 TRP 105 1HE TRP 105 15.803 -2.033 -4.397 808 HE3 TRP 105 3HE TRP 105 16.196 0.604 0.246 809 HZ2 TRP 105 2HZ TRP 105 18.417 -2.269 -3.154 810 HZ3 TRP 105 3HZ TRP 105 18.594 0.058 0.472 811 HH2 TRP 105 HH TRP 105 19.725 -1.395 -1.219 Start of MODEL 9 1 H1 GLY 1 H GLY 1 17.970 11.719 5.619 2 HA2 GLY 1 1HA GLY 1 16.224 14.104 5.660 3 HA3 GLY 1 2HA GLY 1 17.857 14.063 4.990 4 H GLY 2 H GLY 2 15.252 14.757 3.825 5 HA2 GLY 2 1HA GLY 2 15.111 13.678 1.272 6 HA3 GLY 2 2HA GLY 2 14.017 12.742 2.332 7 H HIS 3 H HIS 3 12.321 13.982 0.825 8 HA HIS 3 HA HIS 3 11.736 16.655 1.979 9 HB2 HIS 3 1HB HIS 3 11.244 17.382 -0.377 10 HB3 HIS 3 2HB HIS 3 12.939 17.162 0.024 11 HD1 HIS 3 1HD HIS 3 14.010 14.719 -0.972 12 HD2 HIS 3 2HD HIS 3 10.553 16.405 -2.665 13 HE1 HIS 3 1HE HIS 3 13.666 13.541 -3.223 14 HA PRO 4 HA PRO 4 7.517 15.116 1.675 15 HB2 PRO 4 1HB PRO 4 6.134 17.473 1.249 16 HB3 PRO 4 2HB PRO 4 6.708 16.928 2.837 17 HG2 PRO 4 1HG PRO 4 7.933 18.958 0.975 18 HG3 PRO 4 2HG PRO 4 7.861 18.993 2.765 19 HD2 PRO 4 1HD PRO 4 10.089 18.259 1.348 20 HD3 PRO 4 2HD PRO 4 9.724 17.668 2.988 21 H THR 5 H THR 5 6.563 14.244 -0.097 22 HA THR 5 HA THR 5 6.730 15.615 -2.712 23 HB THR 5 HB THR 5 7.025 13.506 -3.817 24 HG1 THR 5 1HG THR 5 7.716 11.811 -1.957 25 HG21 THR 5 3HG2 THR 5 9.152 14.508 -3.182 26 HG22 THR 5 1HG2 THR 5 9.265 12.743 -3.089 27 HG23 THR 5 2HG2 THR 5 9.126 13.672 -1.605 28 H GLU 6 H GLU 6 4.916 14.269 -4.152 29 HA GLU 6 HA GLU 6 2.455 14.599 -2.585 30 HB2 GLU 6 1HB GLU 6 1.347 14.674 -4.681 31 HB3 GLU 6 2HB GLU 6 2.802 15.682 -4.722 32 HG2 GLU 6 1HG GLU 6 3.983 13.753 -5.890 33 HG3 GLU 6 2HG GLU 6 2.384 12.997 -6.070 34 H VAL 7 H VAL 7 4.506 11.908 -3.091 35 HA VAL 7 HA VAL 7 2.194 10.100 -3.065 36 HB VAL 7 HB VAL 7 3.695 8.281 -3.207 37 HG11 VAL 7 1HG1 VAL 7 3.277 9.620 -5.348 38 HG12 VAL 7 2HG1 VAL 7 4.821 10.444 -5.055 39 HG13 VAL 7 3HG1 VAL 7 4.779 8.706 -5.357 40 HG21 VAL 7 3HG2 VAL 7 5.939 8.266 -3.301 41 HG22 VAL 7 1HG2 VAL 7 6.039 9.995 -2.806 42 HG23 VAL 7 2HG2 VAL 7 5.302 8.744 -1.728 43 H LEU 8 H LEU 8 2.528 8.312 -1.258 44 HA LEU 8 HA LEU 8 3.848 9.220 1.145 45 HB2 LEU 8 1HB LEU 8 1.300 10.133 0.927 46 HB3 LEU 8 2HB LEU 8 0.934 8.522 1.498 47 HG LEU 8 HG LEU 8 2.016 8.909 3.593 48 HD11 LEU 8 1HD1 LEU 8 3.928 10.362 2.995 49 HD12 LEU 8 2HD1 LEU 8 2.931 11.154 4.207 50 HD13 LEU 8 3HD1 LEU 8 2.835 11.643 2.509 51 HD21 LEU 8 3HD2 LEU 8 0.396 11.382 2.778 52 HD22 LEU 8 1HD2 LEU 8 0.517 10.640 4.388 53 HD23 LEU 8 2HD2 LEU 8 -0.304 9.779 3.076 54 H CYS 9 H CYS 9 3.864 7.261 2.706 55 HA CYS 9 HA CYS 9 3.212 4.695 1.354 56 HB2 CYS 9 1HB CYS 9 5.617 5.336 0.929 57 HB3 CYS 9 2HB CYS 9 5.875 5.402 2.685 58 HG CYS 9 HG CYS 9 4.918 2.838 0.777 59 H LEU 10 H LEU 10 2.293 3.284 2.587 60 HA LEU 10 HA LEU 10 1.920 3.906 5.434 61 HB2 LEU 10 1HB LEU 10 -0.064 2.569 3.600 62 HB3 LEU 10 2HB LEU 10 -0.327 3.380 5.130 63 HG LEU 10 HG LEU 10 -1.279 4.641 3.476 64 HD11 LEU 10 1HD1 LEU 10 1.235 6.062 4.364 65 HD12 LEU 10 2HD1 LEU 10 -0.359 6.029 5.134 66 HD13 LEU 10 3HD1 LEU 10 -0.126 6.841 3.569 67 HD21 LEU 10 3HD2 LEU 10 0.238 3.695 1.593 68 HD22 LEU 10 1HD2 LEU 10 1.038 5.275 1.777 69 HD23 LEU 10 2HD2 LEU 10 -0.691 5.178 1.442 70 H MET 11 H MET 11 2.692 2.314 6.719 71 HA MET 11 HA MET 11 3.099 -0.452 5.636 72 HB2 MET 11 1HB MET 11 3.841 0.828 8.297 73 HB3 MET 11 2HB MET 11 4.155 -0.851 7.862 74 HG2 MET 11 1HG MET 11 5.848 -0.363 6.400 75 HG3 MET 11 2HG MET 11 5.246 1.249 6.029 76 HE1 MET 11 3HE MET 11 6.326 3.550 7.314 77 HE2 MET 11 1HE MET 11 4.817 2.934 8.003 78 HE3 MET 11 2HE MET 11 6.167 3.399 9.066 79 H ASN 12 H ASN 12 2.206 -2.248 6.897 80 HA ASN 12 HA ASN 12 0.911 -3.401 8.285 81 HB2 ASN 12 1HB ASN 12 0.003 -0.854 9.628 82 HB3 ASN 12 2HB ASN 12 -0.075 -2.475 10.275 83 HD21 ASN 12 1HD2 ASN 12 0.952 -0.497 11.821 84 HD22 ASN 12 2HD2 ASN 12 2.647 -0.913 12.153 85 H MET 13 H MET 13 -0.231 -2.208 5.734 86 HA MET 13 HA MET 13 -3.114 -2.036 6.385 87 HB2 MET 13 1HB MET 13 -1.453 -1.332 4.094 88 HB3 MET 13 2HB MET 13 -2.812 -2.329 3.599 89 HG2 MET 13 1HG MET 13 -3.972 -0.476 3.484 90 HG3 MET 13 2HG MET 13 -4.041 -0.529 5.229 91 HE1 MET 13 3HE MET 13 -1.919 0.250 6.539 92 HE2 MET 13 1HE MET 13 -0.513 0.373 5.452 93 HE3 MET 13 2HE MET 13 -1.164 1.817 6.260 94 H VAL 14 H VAL 14 -1.482 -4.033 3.976 95 HA VAL 14 HA VAL 14 -3.360 -6.206 4.356 96 HB VAL 14 HB VAL 14 -2.331 -6.949 2.218 97 HG11 VAL 14 1HG1 VAL 14 -4.092 -5.308 1.986 98 HG12 VAL 14 2HG1 VAL 14 -2.968 -3.962 2.202 99 HG13 VAL 14 3HG1 VAL 14 -2.859 -4.979 0.780 100 HG21 VAL 14 3HG2 VAL 14 -0.228 -4.877 2.894 101 HG22 VAL 14 1HG2 VAL 14 -0.060 -6.531 2.312 102 HG23 VAL 14 2HG2 VAL 14 -0.587 -5.257 1.198 103 H LEU 15 H LEU 15 -2.615 -8.439 4.596 104 HA LEU 15 HA LEU 15 0.113 -8.860 5.670 105 HB2 LEU 15 1HB LEU 15 -2.244 -10.719 5.039 106 HB3 LEU 15 2HB LEU 15 -0.665 -11.238 5.587 107 HG LEU 15 HG LEU 15 -1.914 -11.355 7.477 108 HD11 LEU 15 1HD1 LEU 15 -0.664 -8.597 7.763 109 HD12 LEU 15 2HD1 LEU 15 0.247 -10.133 7.777 110 HD13 LEU 15 3HD1 LEU 15 -0.945 -9.811 9.040 111 HD21 LEU 15 3HD2 LEU 15 -3.063 -8.574 7.079 112 HD22 LEU 15 1HD2 LEU 15 -3.432 -9.732 8.380 113 HD23 LEU 15 2HD2 LEU 15 -3.877 -10.105 6.709 114 HA PRO 16 HA PRO 16 1.545 -10.042 1.583 115 HB2 PRO 16 1HB PRO 16 3.264 -12.109 2.064 116 HB3 PRO 16 2HB PRO 16 3.619 -10.416 2.542 117 HG2 PRO 16 1HG PRO 16 2.472 -12.625 4.278 118 HG3 PRO 16 2HG PRO 16 3.870 -11.552 4.614 119 HD2 PRO 16 1HD PRO 16 1.419 -10.976 5.575 120 HD3 PRO 16 2HD PRO 16 2.480 -9.681 4.975 121 H GLU 17 H GLU 17 -0.342 -12.237 3.579 122 HA GLU 17 HA GLU 17 -0.168 -14.464 1.667 123 HB2 GLU 17 1HB GLU 17 -1.163 -15.760 3.478 124 HB3 GLU 17 2HB GLU 17 0.312 -14.928 3.975 125 HG2 GLU 17 1HG GLU 17 -1.028 -13.192 5.072 126 HG3 GLU 17 2HG GLU 17 -2.509 -14.005 4.624 127 H GLU 18 H GLU 18 -2.160 -11.762 2.217 128 HA GLU 18 HA GLU 18 -4.586 -13.189 1.465 129 HB2 GLU 18 1HB GLU 18 -5.675 -11.029 1.562 130 HB3 GLU 18 2HB GLU 18 -4.868 -11.511 3.060 131 HG2 GLU 18 1HG GLU 18 -2.928 -10.024 2.342 132 HG3 GLU 18 2HG GLU 18 -3.983 -9.363 1.096 133 H LEU 19 H LEU 19 -2.188 -11.165 0.038 134 HA LEU 19 HA LEU 19 -3.720 -9.988 -1.979 135 HB2 LEU 19 1HB LEU 19 -0.716 -10.274 -1.637 136 HB3 LEU 19 2HB LEU 19 -1.443 -9.199 -2.832 137 HG LEU 19 HG LEU 19 -1.813 -8.888 0.151 138 HD11 LEU 19 1HD1 LEU 19 -0.248 -6.986 -0.172 139 HD12 LEU 19 2HD1 LEU 19 -0.021 -7.448 -1.866 140 HD13 LEU 19 3HD1 LEU 19 0.515 -8.529 -0.556 141 HD21 LEU 19 3HD2 LEU 19 -3.699 -7.951 -1.133 142 HD22 LEU 19 1HD2 LEU 19 -2.570 -7.141 -2.248 143 HD23 LEU 19 2HD2 LEU 19 -2.677 -6.651 -0.546 144 H LEU 20 H LEU 20 -4.217 -12.590 -2.585 145 HA LEU 20 HA LEU 20 -2.812 -13.181 -5.136 146 HB2 LEU 20 1HB LEU 20 -3.970 -15.023 -3.038 147 HB3 LEU 20 2HB LEU 20 -3.063 -15.507 -4.463 148 HG LEU 20 HG LEU 20 -1.467 -13.579 -2.904 149 HD11 LEU 20 1HD1 LEU 20 -1.128 -14.751 -0.866 150 HD12 LEU 20 2HD1 LEU 20 -2.291 -16.012 -1.332 151 HD13 LEU 20 3HD1 LEU 20 -2.841 -14.353 -1.001 152 HD21 LEU 20 3HD2 LEU 20 -0.630 -15.020 -4.574 153 HD22 LEU 20 1HD2 LEU 20 -1.000 -16.451 -3.570 154 HD23 LEU 20 2HD2 LEU 20 0.193 -15.230 -3.014 155 H ASP 21 H ASP 21 -5.850 -12.320 -3.757 156 HA ASP 21 HA ASP 21 -7.289 -13.845 -5.859 157 HB2 ASP 21 1HB ASP 21 -7.448 -14.221 -3.091 158 HB3 ASP 21 2HB ASP 21 -8.915 -13.327 -3.510 159 H ASP 22 H ASP 22 -8.023 -12.666 -7.275 160 HA ASP 22 HA ASP 22 -7.821 -9.970 -7.567 161 HB2 ASP 22 1HB ASP 22 -9.720 -11.849 -9.050 162 HB3 ASP 22 2HB ASP 22 -9.130 -10.306 -9.646 163 H GLU 23 H GLU 23 -10.365 -11.566 -5.952 164 HA GLU 23 HA GLU 23 -12.479 -9.645 -6.587 165 HB2 GLU 23 1HB GLU 23 -13.920 -11.072 -5.270 166 HB3 GLU 23 2HB GLU 23 -13.069 -11.958 -6.542 167 HG2 GLU 23 1HG GLU 23 -11.363 -12.671 -4.818 168 HG3 GLU 23 2HG GLU 23 -12.381 -11.851 -3.627 169 H GLU 24 H GLU 24 -10.592 -10.624 -3.743 170 HA GLU 24 HA GLU 24 -11.703 -8.735 -1.898 171 HB2 GLU 24 1HB GLU 24 -10.836 -10.815 -1.104 172 HB3 GLU 24 2HB GLU 24 -9.398 -10.704 -2.113 173 HG2 GLU 24 1HG GLU 24 -8.512 -8.894 -0.710 174 HG3 GLU 24 2HG GLU 24 -9.917 -9.036 0.370 175 H TYR 25 H TYR 25 -8.766 -8.967 -3.935 176 HA TYR 25 HA TYR 25 -7.360 -6.804 -2.824 177 HB2 TYR 25 1HB TYR 25 -6.329 -8.443 -4.258 178 HB3 TYR 25 2HB TYR 25 -7.412 -8.069 -5.591 179 HD1 TYR 25 2HD TYR 25 -4.440 -6.925 -3.711 180 HD2 TYR 25 1HD TYR 25 -7.076 -6.161 -7.031 181 HE1 TYR 25 2HE TYR 25 -2.774 -5.371 -4.661 182 HE2 TYR 25 1HE TYR 25 -5.459 -4.616 -8.002 183 HH TYR 25 HH TYR 25 -2.415 -3.740 -6.345 184 H GLU 26 H GLU 26 -10.024 -6.734 -5.140 185 HA GLU 26 HA GLU 26 -9.409 -4.073 -6.141 186 HB2 GLU 26 1HB GLU 26 -11.075 -6.351 -6.883 187 HB3 GLU 26 2HB GLU 26 -12.073 -4.900 -6.829 188 HG2 GLU 26 1HG GLU 26 -10.587 -3.724 -8.339 189 HG3 GLU 26 2HG GLU 26 -9.378 -5.006 -8.212 190 H GLU 27 H GLU 27 -11.656 -5.496 -3.794 191 HA GLU 27 HA GLU 27 -13.347 -3.218 -3.472 192 HB2 GLU 27 1HB GLU 27 -12.597 -5.333 -1.400 193 HB3 GLU 27 2HB GLU 27 -13.999 -4.263 -1.345 194 HG2 GLU 27 1HG GLU 27 -14.856 -5.333 -3.443 195 HG3 GLU 27 2HG GLU 27 -13.459 -6.422 -3.416 196 H ILE 28 H ILE 28 -10.456 -4.306 -1.789 197 HA ILE 28 HA ILE 28 -10.324 -2.316 0.204 198 HB ILE 28 HB ILE 28 -8.195 -4.011 -1.157 199 HG12 ILE 28 1HG1 ILE 28 -9.499 -4.464 1.566 200 HG13 ILE 28 2HG1 ILE 28 -10.114 -5.197 0.094 201 HG21 ILE 28 1HG2 ILE 28 -6.850 -3.574 0.948 202 HG22 ILE 28 2HG2 ILE 28 -7.103 -2.131 -0.038 203 HG23 ILE 28 3HG2 ILE 28 -8.098 -2.375 1.416 204 HD11 ILE 28 3HD1 ILE 28 -7.359 -5.695 1.277 205 HD12 ILE 28 1HD1 ILE 28 -8.730 -6.807 1.198 206 HD13 ILE 28 2HD1 ILE 28 -7.921 -6.307 -0.297 207 H VAL 29 H VAL 29 -9.111 -2.280 -3.171 208 HA VAL 29 HA VAL 29 -7.564 0.150 -2.847 209 HB VAL 29 HB VAL 29 -8.678 -1.385 -5.209 210 HG11 VAL 29 1HG1 VAL 29 -7.107 -0.123 -6.672 211 HG12 VAL 29 2HG1 VAL 29 -8.399 0.894 -6.021 212 HG13 VAL 29 3HG1 VAL 29 -6.763 0.984 -5.319 213 HG21 VAL 29 3HG2 VAL 29 -6.803 -2.438 -3.844 214 HG22 VAL 29 1HG2 VAL 29 -6.368 -2.147 -5.528 215 HG23 VAL 29 2HG2 VAL 29 -5.788 -1.052 -4.248 216 H GLU 30 H GLU 30 -10.969 -0.571 -3.633 217 HA GLU 30 HA GLU 30 -11.536 2.167 -4.458 218 HB2 GLU 30 1HB GLU 30 -13.295 -0.237 -3.848 219 HB3 GLU 30 2HB GLU 30 -13.931 1.321 -4.378 220 HG2 GLU 30 1HG GLU 30 -11.888 -0.258 -6.009 221 HG3 GLU 30 2HG GLU 30 -13.623 -0.466 -6.144 222 H ASP 31 H ASP 31 -12.057 0.161 -1.629 223 HA ASP 31 HA ASP 31 -13.733 1.910 -0.155 224 HB2 ASP 31 1HB ASP 31 -13.166 -0.537 0.429 225 HB3 ASP 31 2HB ASP 31 -11.616 0.030 0.989 226 H VAL 32 H VAL 32 -10.284 1.723 -0.444 227 HA VAL 32 HA VAL 32 -9.849 3.610 1.812 228 HB VAL 32 HB VAL 32 -7.910 2.033 0.030 229 HG11 VAL 32 1HG1 VAL 32 -7.479 3.716 2.516 230 HG12 VAL 32 2HG1 VAL 32 -6.301 2.512 1.942 231 HG13 VAL 32 3HG1 VAL 32 -6.717 3.881 0.916 232 HG21 VAL 32 3HG2 VAL 32 -9.374 0.643 1.597 233 HG22 VAL 32 1HG2 VAL 32 -7.643 0.526 1.907 234 HG23 VAL 32 2HG2 VAL 32 -8.660 1.549 2.943 235 H ARG 33 H ARG 33 -10.198 3.677 -1.571 236 HA ARG 33 HA ARG 33 -8.788 6.206 -1.994 237 HB2 ARG 33 1HB ARG 33 -8.964 4.759 -3.833 238 HB3 ARG 33 2HB ARG 33 -10.694 4.564 -3.687 239 HG2 ARG 33 1HG ARG 33 -11.167 6.679 -4.637 240 HG3 ARG 33 2HG ARG 33 -9.593 7.333 -4.198 241 HD2 ARG 33 1HD ARG 33 -8.532 5.695 -5.731 242 HD3 ARG 33 2HD ARG 33 -10.148 5.240 -6.325 243 HE ARG 33 HE ARG 33 -10.134 7.895 -6.723 244 HH11 ARG 33 1HH1 ARG 33 -7.554 5.479 -7.416 245 HH12 ARG 33 2HH1 ARG 33 -6.885 6.448 -8.723 246 HH21 ARG 33 1HH2 ARG 33 -9.229 9.025 -8.551 247 HH22 ARG 33 2HH2 ARG 33 -7.787 8.437 -9.318 248 H ASP 34 H ASP 34 -12.159 5.227 -1.237 249 HA ASP 34 HA ASP 34 -13.250 7.881 -1.337 250 HB2 ASP 34 1HB ASP 34 -14.781 6.030 -1.196 251 HB3 ASP 34 2HB ASP 34 -14.061 5.459 0.315 252 H GLU 35 H GLU 35 -11.909 5.971 1.409 253 HA GLU 35 HA GLU 35 -12.325 8.045 3.303 254 HB2 GLU 35 1HB GLU 35 -11.298 6.723 4.809 255 HB3 GLU 35 2HB GLU 35 -11.961 5.565 3.672 256 HG2 GLU 35 1HG GLU 35 -9.540 5.395 2.781 257 HG3 GLU 35 2HG GLU 35 -9.078 6.424 4.129 258 H CYS 36 H CYS 36 -9.881 7.703 1.021 259 HA CYS 36 HA CYS 36 -7.954 9.489 2.279 260 HB2 CYS 36 1HB CYS 36 -7.306 7.524 0.946 261 HB3 CYS 36 2HB CYS 36 -8.115 8.201 -0.477 262 HG CYS 36 HG CYS 36 -5.510 8.336 -0.706 263 H SER 37 H SER 37 -10.513 9.598 -0.182 264 HA SER 37 HA SER 37 -9.985 12.028 -1.447 265 HB2 SER 37 1HB SER 37 -11.813 9.999 -1.663 266 HB3 SER 37 2HB SER 37 -12.836 11.240 -0.983 267 HG SER 37 HG SER 37 -12.440 12.493 -2.732 268 H LYS 38 H LYS 38 -11.129 11.498 1.771 269 HA LYS 38 HA LYS 38 -12.496 13.926 2.308 270 HB2 LYS 38 1HB LYS 38 -10.810 12.019 3.963 271 HB3 LYS 38 2HB LYS 38 -11.527 13.471 4.686 272 HG2 LYS 38 1HG LYS 38 -13.741 12.790 4.121 273 HG3 LYS 38 2HG LYS 38 -13.163 11.450 3.113 274 HD2 LYS 38 1HD LYS 38 -12.408 10.191 4.979 275 HD3 LYS 38 2HD LYS 38 -12.462 11.604 6.053 276 HE2 LYS 38 1HE LYS 38 -14.937 11.728 5.733 277 HE3 LYS 38 2HE LYS 38 -14.863 10.250 4.758 278 HZ1 LYS 38 3HZ LYS 38 -15.455 9.784 6.979 279 HZ2 LYS 38 1HZ LYS 38 -14.086 10.467 7.602 280 HZ3 LYS 38 2HZ LYS 38 -14.036 9.073 6.670 281 H TYR 39 H TYR 39 -8.995 13.305 2.011 282 HA TYR 39 HA TYR 39 -8.468 15.956 3.249 283 HB2 TYR 39 1HB TYR 39 -6.593 13.660 2.649 284 HB3 TYR 39 2HB TYR 39 -6.217 15.107 3.571 285 HD1 TYR 39 2HD TYR 39 -8.195 11.929 3.595 286 HD2 TYR 39 1HD TYR 39 -6.902 15.358 5.891 287 HE1 TYR 39 2HE TYR 39 -9.149 10.912 5.597 288 HE2 TYR 39 1HE TYR 39 -7.832 14.295 7.933 289 HH TYR 39 HH TYR 39 -8.832 12.435 8.810 290 H GLY 40 H GLY 40 -8.739 14.707 0.094 291 HA2 GLY 40 1HA GLY 40 -7.608 16.804 -1.372 292 HA3 GLY 40 2HA GLY 40 -6.346 15.576 -1.093 293 H LEU 41 H LEU 41 -6.185 14.570 -3.014 294 HA LEU 41 HA LEU 41 -8.420 12.819 -3.747 295 HB2 LEU 41 1HB LEU 41 -8.713 14.943 -5.030 296 HB3 LEU 41 2HB LEU 41 -7.075 14.810 -5.616 297 HG LEU 41 HG LEU 41 -9.089 14.178 -7.126 298 HD11 LEU 41 1HD1 LEU 41 -6.993 13.658 -8.043 299 HD12 LEU 41 2HD1 LEU 41 -8.032 12.259 -8.243 300 HD13 LEU 41 3HD1 LEU 41 -6.772 12.244 -6.992 301 HD21 LEU 41 3HD2 LEU 41 -8.912 11.520 -5.695 302 HD22 LEU 41 1HD2 LEU 41 -10.071 12.021 -6.938 303 HD23 LEU 41 2HD2 LEU 41 -10.145 12.745 -5.317 304 H VAL 42 H VAL 42 -7.552 10.923 -3.747 305 HA VAL 42 HA VAL 42 -4.678 10.563 -4.144 306 HB VAL 42 HB VAL 42 -5.347 9.220 -2.515 307 HG11 VAL 42 1HG1 VAL 42 -7.751 8.339 -4.099 308 HG12 VAL 42 2HG1 VAL 42 -7.206 7.520 -2.600 309 HG13 VAL 42 3HG1 VAL 42 -7.728 9.191 -2.529 310 HG21 VAL 42 3HG2 VAL 42 -5.468 7.387 -4.931 311 HG22 VAL 42 1HG2 VAL 42 -4.002 8.001 -4.129 312 HG23 VAL 42 2HG2 VAL 42 -5.097 6.919 -3.266 313 H LYS 43 H LYS 43 -3.791 10.343 -5.902 314 HA LYS 43 HA LYS 43 -4.979 10.252 -8.523 315 HB2 LYS 43 1HB LYS 43 -2.736 11.311 -7.794 316 HB3 LYS 43 2HB LYS 43 -2.119 9.673 -7.657 317 HG2 LYS 43 1HG LYS 43 -1.441 10.652 -9.751 318 HG3 LYS 43 2HG LYS 43 -2.513 9.302 -10.054 319 HD2 LYS 43 1HD LYS 43 -3.943 11.915 -9.832 320 HD3 LYS 43 2HD LYS 43 -2.730 11.893 -11.113 321 HE2 LYS 43 1HE LYS 43 -3.717 9.696 -11.916 322 HE3 LYS 43 2HE LYS 43 -4.961 9.830 -10.675 323 HZ1 LYS 43 3HZ LYS 43 -5.740 10.531 -12.776 324 HZ2 LYS 43 1HZ LYS 43 -4.578 11.703 -12.936 325 HZ3 LYS 43 2HZ LYS 43 -5.753 11.816 -11.763 326 H SER 44 H SER 44 -2.970 7.898 -6.609 327 HA SER 44 HA SER 44 -4.876 5.847 -7.120 328 HB2 SER 44 1HB SER 44 -3.564 5.953 -9.362 329 HB3 SER 44 2HB SER 44 -2.220 5.249 -8.456 330 HG SER 44 HG SER 44 -3.275 3.509 -9.144 331 H ILE 45 H ILE 45 -3.574 3.575 -6.567 332 HA ILE 45 HA ILE 45 -2.106 3.975 -4.029 333 HB ILE 45 HB ILE 45 -4.582 2.238 -4.435 334 HG12 ILE 45 1HG1 ILE 45 -4.198 4.416 -2.338 335 HG13 ILE 45 2HG1 ILE 45 -4.827 4.766 -3.936 336 HG21 ILE 45 1HG2 ILE 45 -4.276 1.584 -2.041 337 HG22 ILE 45 2HG2 ILE 45 -2.931 1.057 -3.034 338 HG23 ILE 45 3HG2 ILE 45 -2.740 2.483 -2.009 339 HD11 ILE 45 3HD1 ILE 45 -6.685 3.142 -3.569 340 HD12 ILE 45 1HD1 ILE 45 -6.112 2.904 -1.903 341 HD13 ILE 45 2HD1 ILE 45 -6.689 4.494 -2.420 342 H GLU 46 H GLU 46 -0.563 2.522 -3.788 343 HA GLU 46 HA GLU 46 -0.178 0.554 -5.959 344 HB2 GLU 46 1HB GLU 46 1.492 2.673 -5.219 345 HB3 GLU 46 2HB GLU 46 2.257 1.271 -4.480 346 HG2 GLU 46 1HG GLU 46 1.751 1.828 -7.407 347 HG3 GLU 46 2HG GLU 46 3.263 1.520 -6.584 348 H ILE 47 H ILE 47 -0.336 -1.555 -5.407 349 HA ILE 47 HA ILE 47 0.415 -2.483 -2.715 350 HB ILE 47 HB ILE 47 -2.130 -3.300 -4.145 351 HG12 ILE 47 1HG1 ILE 47 -1.716 -1.237 -1.966 352 HG13 ILE 47 2HG1 ILE 47 -2.464 -1.036 -3.551 353 HG21 ILE 47 1HG2 ILE 47 -1.172 -3.787 -1.276 354 HG22 ILE 47 2HG2 ILE 47 -2.622 -4.458 -2.045 355 HG23 ILE 47 3HG2 ILE 47 -1.038 -4.981 -2.593 356 HD11 ILE 47 3HD1 ILE 47 -4.177 -1.020 -1.875 357 HD12 ILE 47 1HD1 ILE 47 -4.331 -2.500 -2.845 358 HD13 ILE 47 2HD1 ILE 47 -3.629 -2.562 -1.208 359 HA PRO 48 HA PRO 48 2.388 -4.883 -6.126 360 HB2 PRO 48 1HB PRO 48 4.811 -5.328 -4.951 361 HB3 PRO 48 2HB PRO 48 4.371 -3.777 -5.727 362 HG2 PRO 48 1HG PRO 48 4.277 -4.471 -2.777 363 HG3 PRO 48 2HG PRO 48 4.952 -3.005 -3.540 364 HD2 PRO 48 1HD PRO 48 2.446 -3.057 -2.473 365 HD3 PRO 48 2HD PRO 48 2.807 -2.098 -3.917 366 H ARG 49 H ARG 49 1.568 -6.913 -6.271 367 HA ARG 49 HA ARG 49 0.934 -8.507 -3.932 368 HB2 ARG 49 1HB ARG 49 0.716 -8.883 -6.944 369 HB3 ARG 49 2HB ARG 49 0.334 -10.173 -5.865 370 HG2 ARG 49 1HG ARG 49 -1.736 -9.392 -5.647 371 HG3 ARG 49 2HG ARG 49 -1.103 -8.008 -4.769 372 HD2 ARG 49 1HD ARG 49 -2.546 -7.261 -6.496 373 HD3 ARG 49 2HD ARG 49 -0.893 -6.788 -6.954 374 HE ARG 49 HE ARG 49 -1.803 -9.355 -8.020 375 HH11 ARG 49 1HH1 ARG 49 -2.553 -5.969 -8.417 376 HH12 ARG 49 2HH1 ARG 49 -2.761 -6.008 -10.122 377 HH21 ARG 49 1HH2 ARG 49 -2.191 -9.587 -10.127 378 HH22 ARG 49 2HH2 ARG 49 -2.685 -8.324 -11.194 379 HA PRO 50 HA PRO 50 4.503 -11.172 -3.560 380 HB2 PRO 50 1HB PRO 50 3.450 -13.601 -3.011 381 HB3 PRO 50 2HB PRO 50 3.333 -12.213 -1.894 382 HG2 PRO 50 1HG PRO 50 1.264 -13.124 -3.921 383 HG3 PRO 50 2HG PRO 50 1.029 -12.828 -2.161 384 HD2 PRO 50 1HD PRO 50 0.455 -10.920 -3.943 385 HD3 PRO 50 2HD PRO 50 1.292 -10.484 -2.445 386 H VAL 51 H VAL 51 5.447 -13.264 -4.336 387 HA VAL 51 HA VAL 51 4.414 -14.076 -7.034 388 HB VAL 51 HB VAL 51 7.360 -14.037 -6.276 389 HG11 VAL 51 1HG1 VAL 51 6.632 -15.659 -8.023 390 HG12 VAL 51 2HG1 VAL 51 5.954 -14.312 -8.968 391 HG13 VAL 51 3HG1 VAL 51 7.705 -14.410 -8.655 392 HG21 VAL 51 3HG2 VAL 51 7.529 -12.100 -7.890 393 HG22 VAL 51 1HG2 VAL 51 5.756 -11.954 -7.778 394 HG23 VAL 51 2HG2 VAL 51 6.767 -11.707 -6.345 395 H ASP 52 H ASP 52 3.472 -16.014 -6.593 396 HA ASP 52 HA ASP 52 3.081 -18.054 -5.708 397 HB2 ASP 52 1HB ASP 52 5.014 -18.259 -7.376 398 HB3 ASP 52 2HB ASP 52 6.076 -18.464 -5.977 399 H GLY 53 H GLY 53 3.522 -16.113 -3.718 400 HA2 GLY 53 1HA GLY 53 3.354 -16.120 -1.406 401 HA3 GLY 53 2HA GLY 53 3.878 -17.796 -1.344 402 H VAL 54 H VAL 54 6.126 -16.166 -3.159 403 HA VAL 54 HA VAL 54 8.117 -16.054 -1.049 404 HB VAL 54 HB VAL 54 8.235 -15.229 -3.987 405 HG11 VAL 54 1HG1 VAL 54 10.108 -14.365 -2.743 406 HG12 VAL 54 2HG1 VAL 54 10.383 -15.965 -2.022 407 HG13 VAL 54 3HG1 VAL 54 10.645 -15.696 -3.768 408 HG21 VAL 54 3HG2 VAL 54 7.504 -17.646 -3.761 409 HG22 VAL 54 1HG2 VAL 54 9.117 -17.508 -4.441 410 HG23 VAL 54 2HG2 VAL 54 8.904 -17.949 -2.727 411 H GLU 55 H GLU 55 8.956 -14.166 -0.207 412 HA GLU 55 HA GLU 55 7.269 -11.880 -0.242 413 HB2 GLU 55 1HB GLU 55 8.722 -10.935 1.359 414 HB3 GLU 55 2HB GLU 55 8.610 -12.662 1.707 415 HG2 GLU 55 1HG GLU 55 10.766 -12.857 0.241 416 HG3 GLU 55 2HG GLU 55 10.881 -11.108 0.445 417 H VAL 56 H VAL 56 7.455 -9.972 -1.205 418 HA VAL 56 HA VAL 56 9.509 -9.605 -3.248 419 HB VAL 56 HB VAL 56 8.004 -8.807 -4.456 420 HG11 VAL 56 1HG1 VAL 56 6.697 -10.580 -3.763 421 HG12 VAL 56 2HG1 VAL 56 5.903 -9.622 -2.514 422 HG13 VAL 56 3HG1 VAL 56 5.686 -9.231 -4.220 423 HG21 VAL 56 3HG2 VAL 56 6.268 -7.040 -4.086 424 HG22 VAL 56 1HG2 VAL 56 7.218 -6.663 -2.652 425 HG23 VAL 56 2HG2 VAL 56 7.982 -6.655 -4.222 426 HA PRO 57 HA PRO 57 11.284 -5.992 -1.168 427 HB2 PRO 57 1HB PRO 57 12.410 -4.727 -3.312 428 HB3 PRO 57 2HB PRO 57 13.123 -6.177 -2.546 429 HG2 PRO 57 1HG PRO 57 11.388 -6.034 -5.026 430 HG3 PRO 57 2HG PRO 57 12.909 -6.922 -4.793 431 HD2 PRO 57 1HD PRO 57 10.452 -8.097 -4.554 432 HD3 PRO 57 2HD PRO 57 11.822 -8.618 -3.535 433 H GLY 58 H GLY 58 9.465 -5.115 -0.551 434 HA2 GLY 58 1HA GLY 58 8.351 -2.821 -0.831 435 HA3 GLY 58 2HA GLY 58 7.776 -3.434 -2.391 436 H CYS 59 H CYS 59 7.638 -6.181 -0.510 437 HA CYS 59 HA CYS 59 4.788 -5.832 -0.704 438 HB2 CYS 59 1HB CYS 59 6.282 -7.926 -1.363 439 HB3 CYS 59 2HB CYS 59 6.107 -8.347 0.372 440 HG CYS 59 HG CYS 59 3.643 -7.562 -1.785 441 H GLY 60 H GLY 60 3.233 -5.893 0.822 442 HA2 GLY 60 1HA GLY 60 2.219 -5.751 2.893 443 HA3 GLY 60 2HA GLY 60 3.770 -5.936 3.702 444 H LYS 61 H LYS 61 4.568 -3.655 1.500 445 HA LYS 61 HA LYS 61 3.708 -1.368 3.186 446 HB2 LYS 61 1HB LYS 61 5.612 -1.345 0.803 447 HB3 LYS 61 2HB LYS 61 5.216 -0.017 1.871 448 HG2 LYS 61 1HG LYS 61 7.188 -0.583 2.829 449 HG3 LYS 61 2HG LYS 61 6.180 -1.714 3.740 450 HD2 LYS 61 1HD LYS 61 6.762 -3.505 2.041 451 HD3 LYS 61 2HD LYS 61 7.767 -2.303 1.197 452 HE2 LYS 61 1HE LYS 61 9.124 -1.987 3.218 453 HE3 LYS 61 2HE LYS 61 8.165 -3.199 4.081 454 HZ1 LYS 61 3HZ LYS 61 9.922 -3.660 1.732 455 HZ2 LYS 61 1HZ LYS 61 9.011 -4.858 2.495 456 HZ3 LYS 61 2HZ LYS 61 10.195 -4.097 3.280 457 H ILE 62 H ILE 62 2.391 0.217 2.225 458 HA ILE 62 HA ILE 62 1.321 -0.324 -0.488 459 HB ILE 62 HB ILE 62 -0.121 0.606 2.031 460 HG12 ILE 62 1HG1 ILE 62 -1.803 -1.094 1.302 461 HG13 ILE 62 2HG1 ILE 62 -0.735 -1.594 -0.004 462 HG21 ILE 62 1HG2 ILE 62 -2.098 1.054 0.603 463 HG22 ILE 62 2HG2 ILE 62 -0.787 2.161 0.242 464 HG23 ILE 62 3HG2 ILE 62 -1.109 0.806 -0.843 465 HD11 ILE 62 3HD1 ILE 62 0.629 -2.797 1.418 466 HD12 ILE 62 1HD1 ILE 62 0.333 -1.720 2.811 467 HD13 ILE 62 2HD1 ILE 62 -0.897 -2.883 2.287 468 H PHE 63 H PHE 63 1.295 1.557 -1.716 469 HA PHE 63 HA PHE 63 2.430 4.096 -0.538 470 HB2 PHE 63 1HB PHE 63 2.895 3.143 -3.348 471 HB3 PHE 63 2HB PHE 63 3.649 4.467 -2.463 472 HD1 PHE 63 1HD PHE 63 3.380 0.707 -2.524 473 HD2 PHE 63 2HD PHE 63 5.707 4.141 -1.342 474 HE1 PHE 63 1HE PHE 63 5.131 -0.774 -1.769 475 HE2 PHE 63 2HE PHE 63 7.560 2.626 -0.666 476 HZ PHE 63 HZ PHE 63 7.282 0.158 -0.835 477 H VAL 64 H VAL 64 1.502 6.023 -1.610 478 HA VAL 64 HA VAL 64 -0.954 5.637 -3.146 479 HB VAL 64 HB VAL 64 -1.553 5.504 -0.716 480 HG11 VAL 64 1HG1 VAL 64 0.201 6.949 0.196 481 HG12 VAL 64 2HG1 VAL 64 -0.547 8.367 -0.559 482 HG13 VAL 64 3HG1 VAL 64 -1.405 7.480 0.724 483 HG21 VAL 64 3HG2 VAL 64 -3.355 7.039 -0.633 484 HG22 VAL 64 1HG2 VAL 64 -2.639 8.060 -1.916 485 HG23 VAL 64 2HG2 VAL 64 -3.188 6.408 -2.286 486 H GLU 65 H GLU 65 -1.430 7.645 -4.314 487 HA GLU 65 HA GLU 65 0.696 9.724 -4.190 488 HB2 GLU 65 1HB GLU 65 1.307 8.250 -5.910 489 HB3 GLU 65 2HB GLU 65 -0.328 8.203 -6.600 490 HG2 GLU 65 1HG GLU 65 -0.100 10.462 -7.377 491 HG3 GLU 65 2HG GLU 65 1.344 10.727 -6.417 492 H PHE 66 H PHE 66 0.001 11.780 -4.384 493 HA PHE 66 HA PHE 66 -2.954 12.198 -4.554 494 HB2 PHE 66 1HB PHE 66 -0.780 13.673 -3.014 495 HB3 PHE 66 2HB PHE 66 -2.397 14.278 -3.205 496 HD1 PHE 66 2HD PHE 66 -0.441 11.523 -1.645 497 HD2 PHE 66 1HD PHE 66 -4.240 13.552 -1.902 498 HE1 PHE 66 2HE PHE 66 -1.211 10.331 0.380 499 HE2 PHE 66 1HE PHE 66 -5.020 12.344 0.100 500 HZ PHE 66 HZ PHE 66 -3.506 10.689 1.236 501 H THR 67 H THR 67 -3.390 14.670 -5.101 502 HA THR 67 HA THR 67 -2.328 15.023 -7.806 503 HB THR 67 HB THR 67 -3.777 17.011 -7.872 504 HG1 THR 67 1HG THR 67 -3.926 16.634 -5.108 505 HG21 THR 67 3HG2 THR 67 -5.142 14.519 -6.795 506 HG22 THR 67 1HG2 THR 67 -4.716 14.850 -8.486 507 HG23 THR 67 2HG2 THR 67 -5.937 15.849 -7.673 508 H SER 68 H SER 68 -1.603 16.423 -4.588 509 HA SER 68 HA SER 68 0.801 17.653 -5.793 510 HB2 SER 68 1HB SER 68 -1.138 19.322 -5.721 511 HB3 SER 68 2HB SER 68 -1.158 19.096 -3.960 512 HG SER 68 HG SER 68 0.426 20.624 -5.517 513 H VAL 69 H VAL 69 2.276 18.258 -4.195 514 HA VAL 69 HA VAL 69 2.780 16.683 -1.874 515 HB VAL 69 HB VAL 69 3.626 19.585 -2.346 516 HG11 VAL 69 1HG1 VAL 69 5.068 17.277 -0.982 517 HG12 VAL 69 2HG1 VAL 69 5.657 18.942 -1.129 518 HG13 VAL 69 3HG1 VAL 69 4.225 18.591 -0.144 519 HG21 VAL 69 3HG2 VAL 69 5.659 18.610 -3.499 520 HG22 VAL 69 1HG2 VAL 69 4.831 17.052 -3.555 521 HG23 VAL 69 2HG2 VAL 69 4.180 18.446 -4.435 522 H PHE 70 H PHE 70 0.966 19.669 -2.466 523 HA PHE 70 HA PHE 70 0.602 20.332 0.287 524 HB2 PHE 70 1HB PHE 70 -0.174 21.367 -2.372 525 HB3 PHE 70 2HB PHE 70 -1.438 21.589 -1.202 526 HD1 PHE 70 1HD PHE 70 -1.121 23.020 0.803 527 HD2 PHE 70 2HD PHE 70 2.045 22.421 -2.068 528 HE1 PHE 70 1HE PHE 70 0.089 24.967 1.730 529 HE2 PHE 70 2HE PHE 70 3.266 24.334 -1.112 530 HZ PHE 70 HZ PHE 70 2.262 25.642 0.776 531 H ASP 71 H ASP 71 -1.448 18.253 -1.886 532 HA ASP 71 HA ASP 71 -3.508 18.280 0.236 533 HB2 ASP 71 1HB ASP 71 -4.981 17.250 -1.148 534 HB3 ASP 71 2HB ASP 71 -4.197 18.434 -2.141 535 H CYS 72 H CYS 72 -0.824 16.562 -0.695 536 HA CYS 72 HA CYS 72 -1.344 14.037 0.664 537 HB2 CYS 72 1HB CYS 72 0.287 14.018 -1.092 538 HB3 CYS 72 2HB CYS 72 1.167 15.394 -0.417 539 HG CYS 72 HG CYS 72 2.411 12.935 -0.191 540 H GLN 73 H GLN 73 0.545 17.005 1.450 541 HA GLN 73 HA GLN 73 1.440 16.277 3.978 542 HB2 GLN 73 1HB GLN 73 1.069 18.787 2.457 543 HB3 GLN 73 2HB GLN 73 0.859 19.043 4.174 544 HG2 GLN 73 1HG GLN 73 3.043 17.943 4.627 545 HG3 GLN 73 2HG GLN 73 3.261 17.716 2.881 546 HE21 GLN 73 1HE2 GLN 73 4.055 19.373 1.702 547 HE22 GLN 73 2HE2 GLN 73 4.313 21.024 2.219 548 H LYS 74 H LYS 74 -1.784 17.538 3.131 549 HA LYS 74 HA LYS 74 -2.621 17.938 5.874 550 HB2 LYS 74 1HB LYS 74 -4.409 17.466 3.442 551 HB3 LYS 74 2HB LYS 74 -4.812 18.265 4.952 552 HG2 LYS 74 1HG LYS 74 -2.586 19.720 3.970 553 HG3 LYS 74 2HG LYS 74 -3.489 19.278 2.516 554 HD2 LYS 74 1HD LYS 74 -5.517 20.393 3.546 555 HD3 LYS 74 2HD LYS 74 -4.579 20.691 5.022 556 HE2 LYS 74 1HE LYS 74 -2.944 21.733 3.012 557 HE3 LYS 74 2HE LYS 74 -4.558 22.129 2.423 558 HZ1 LYS 74 3HZ LYS 74 -4.958 23.278 4.526 559 HZ2 LYS 74 1HZ LYS 74 -3.635 23.860 3.777 560 HZ3 LYS 74 2HZ LYS 74 -3.423 22.850 5.048 561 H ALA 75 H ALA 75 -3.011 15.426 3.392 562 HA ALA 75 HA ALA 75 -4.734 13.705 4.773 563 HB1 ALA 75 1HB ALA 75 -2.608 13.054 2.674 564 HB2 ALA 75 2HB ALA 75 -4.042 12.113 3.077 565 HB3 ALA 75 3HB ALA 75 -4.221 13.701 2.322 566 H MET 76 H MET 76 -1.096 13.767 4.763 567 HA MET 76 HA MET 76 -0.633 11.389 6.134 568 HB2 MET 76 1HB MET 76 1.193 12.640 5.202 569 HB3 MET 76 2HB MET 76 0.802 14.083 6.147 570 HG2 MET 76 1HG MET 76 1.435 12.989 8.217 571 HG3 MET 76 2HG MET 76 1.618 11.442 7.391 572 HE1 MET 76 3HE MET 76 3.516 10.662 6.275 573 HE2 MET 76 1HE MET 76 5.150 11.243 6.709 574 HE3 MET 76 2HE MET 76 3.974 10.813 7.988 575 H GLN 77 H GLN 77 -0.566 14.564 7.670 576 HA GLN 77 HA GLN 77 -0.728 13.707 10.318 577 HB2 GLN 77 1HB GLN 77 -1.829 16.249 9.037 578 HB3 GLN 77 2HB GLN 77 -1.583 16.063 10.775 579 HG2 GLN 77 1HG GLN 77 0.741 16.145 10.625 580 HG3 GLN 77 2HG GLN 77 0.785 15.622 8.943 581 HE21 GLN 77 1HE2 GLN 77 2.379 17.508 8.976 582 HE22 GLN 77 2HE2 GLN 77 1.718 19.087 8.571 583 H GLY 78 H GLY 78 -3.419 14.245 8.030 584 HA2 GLY 78 1HA GLY 78 -5.501 14.149 9.963 585 HA3 GLY 78 2HA GLY 78 -5.647 13.919 8.215 586 H LEU 79 H LEU 79 -3.669 11.561 8.471 587 HA LEU 79 HA LEU 79 -5.619 9.537 9.457 588 HB2 LEU 79 1HB LEU 79 -3.816 9.603 7.017 589 HB3 LEU 79 2HB LEU 79 -4.604 8.147 7.576 590 HG LEU 79 HG LEU 79 -6.093 10.662 6.709 591 HD11 LEU 79 1HD1 LEU 79 -6.823 9.019 4.810 592 HD12 LEU 79 2HD1 LEU 79 -5.350 8.122 5.265 593 HD13 LEU 79 3HD1 LEU 79 -5.246 9.802 4.709 594 HD21 LEU 79 3HD2 LEU 79 -7.069 7.891 7.514 595 HD22 LEU 79 1HD2 LEU 79 -8.075 9.081 6.662 596 HD23 LEU 79 2HD2 LEU 79 -7.470 9.468 8.258 597 H THR 80 H THR 80 -2.800 10.849 10.397 598 HA THR 80 HA THR 80 -1.056 8.604 10.784 599 HB THR 80 HB THR 80 -1.328 11.238 12.268 600 HG1 THR 80 1HG THR 80 -0.768 11.117 9.896 601 HG21 THR 80 3HG2 THR 80 0.829 10.892 13.190 602 HG22 THR 80 1HG2 THR 80 1.166 9.516 12.131 603 HG23 THR 80 2HG2 THR 80 0.001 9.338 13.446 604 H GLY 81 H GLY 81 -2.003 6.813 11.727 605 HA2 GLY 81 1HA GLY 81 -2.060 5.707 13.894 606 HA3 GLY 81 2HA GLY 81 -2.978 7.056 14.545 607 H ARG 82 H ARG 82 -4.174 6.567 11.417 608 HA ARG 82 HA ARG 82 -6.567 5.265 12.389 609 HB2 ARG 82 1HB ARG 82 -5.592 6.137 9.650 610 HB3 ARG 82 2HB ARG 82 -7.150 5.505 9.931 611 HG2 ARG 82 1HG ARG 82 -6.094 8.030 11.255 612 HG3 ARG 82 2HG ARG 82 -7.182 7.959 9.886 613 HD2 ARG 82 1HD ARG 82 -7.732 6.974 12.691 614 HD3 ARG 82 2HD ARG 82 -8.450 8.384 11.926 615 HE ARG 82 HE ARG 82 -9.376 5.699 11.797 616 HH11 ARG 82 1HH1 ARG 82 -9.283 8.624 9.779 617 HH12 ARG 82 2HH1 ARG 82 -10.213 7.922 8.486 618 HH21 ARG 82 1HH2 ARG 82 -10.710 4.821 10.180 619 HH22 ARG 82 2HH2 ARG 82 -11.079 5.725 8.760 620 H LYS 83 H LYS 83 -7.405 3.653 10.440 621 HA LYS 83 HA LYS 83 -5.595 1.331 10.471 622 HB2 LYS 83 1HB LYS 83 -8.440 1.255 11.568 623 HB3 LYS 83 2HB LYS 83 -7.327 -0.101 11.415 624 HG2 LYS 83 1HG LYS 83 -5.786 0.916 13.053 625 HG3 LYS 83 2HG LYS 83 -6.823 2.346 13.181 626 HD2 LYS 83 1HD LYS 83 -8.679 0.957 14.017 627 HD3 LYS 83 2HD LYS 83 -7.614 -0.466 13.976 628 HE2 LYS 83 1HE LYS 83 -6.084 0.572 15.569 629 HE3 LYS 83 2HE LYS 83 -6.970 2.105 15.509 630 HZ1 LYS 83 3HZ LYS 83 -8.833 1.025 16.517 631 HZ2 LYS 83 1HZ LYS 83 -7.504 0.710 17.452 632 HZ3 LYS 83 2HZ LYS 83 -8.132 -0.439 16.432 633 H PHE 84 H PHE 84 -5.553 0.747 8.445 634 HA PHE 84 HA PHE 84 -7.848 1.285 6.574 635 HB2 PHE 84 1HB PHE 84 -4.839 1.244 6.268 636 HB3 PHE 84 2HB PHE 84 -5.855 0.934 4.880 637 HD1 PHE 84 1HD PHE 84 -7.289 3.470 7.120 638 HD2 PHE 84 2HD PHE 84 -4.624 2.719 3.798 639 HE1 PHE 84 1HE PHE 84 -7.533 5.792 6.395 640 HE2 PHE 84 2HE PHE 84 -4.971 5.049 2.987 641 HZ PHE 84 HZ PHE 84 -6.472 6.564 4.250 642 H ALA 85 H ALA 85 -7.683 -1.042 8.347 643 HA ALA 85 HA ALA 85 -8.683 -3.022 6.817 644 HB1 ALA 85 1HB ALA 85 -6.901 -3.825 5.650 645 HB2 ALA 85 2HB ALA 85 -5.701 -3.289 6.825 646 HB3 ALA 85 3HB ALA 85 -6.655 -4.767 7.117 647 H ASN 86 H ASN 86 -6.164 -3.220 9.362 648 HA ASN 86 HA ASN 86 -8.295 -3.286 11.397 649 HB2 ASN 86 1HB ASN 86 -7.256 -5.773 10.361 650 HB3 ASN 86 2HB ASN 86 -6.654 -5.590 12.014 651 HD21 ASN 86 1HD2 ASN 86 -9.569 -5.802 9.997 652 HD22 ASN 86 2HD2 ASN 86 -10.693 -5.794 11.325 653 H ARG 87 H ARG 87 -4.968 -2.867 10.541 654 HA ARG 87 HA ARG 87 -4.118 -2.647 13.389 655 HB2 ARG 87 1HB ARG 87 -2.605 -3.040 10.794 656 HB3 ARG 87 2HB ARG 87 -1.851 -3.028 12.399 657 HG2 ARG 87 1HG ARG 87 -3.112 -5.013 13.094 658 HG3 ARG 87 2HG ARG 87 -4.017 -5.006 11.597 659 HD2 ARG 87 1HD ARG 87 -2.479 -6.711 11.349 660 HD3 ARG 87 2HD ARG 87 -1.888 -5.402 10.321 661 HE ARG 87 HE ARG 87 -0.479 -4.898 12.533 662 HH11 ARG 87 1HH1 ARG 87 -1.032 -8.197 11.158 663 HH12 ARG 87 2HH1 ARG 87 0.632 -8.629 11.444 664 HH21 ARG 87 1HH2 ARG 87 1.404 -5.718 13.257 665 HH22 ARG 87 2HH2 ARG 87 1.946 -7.325 12.897 666 H VAL 88 H VAL 88 -2.301 -1.079 13.737 667 HA VAL 88 HA VAL 88 -3.231 1.531 13.002 668 HB VAL 88 HB VAL 88 -2.133 0.977 15.113 669 HG11 VAL 88 1HG1 VAL 88 0.223 0.901 15.406 670 HG12 VAL 88 2HG1 VAL 88 -0.189 -0.319 14.182 671 HG13 VAL 88 3HG1 VAL 88 0.523 1.235 13.697 672 HG21 VAL 88 3HG2 VAL 88 -1.014 3.133 15.374 673 HG22 VAL 88 1HG2 VAL 88 -0.889 3.295 13.617 674 HG23 VAL 88 2HG2 VAL 88 -2.485 3.294 14.406 675 H VAL 89 H VAL 89 -2.937 2.546 11.149 676 HA VAL 89 HA VAL 89 -0.924 1.809 9.192 677 HB VAL 89 HB VAL 89 -2.835 4.180 9.502 678 HG11 VAL 89 1HG1 VAL 89 -0.729 3.608 7.404 679 HG12 VAL 89 2HG1 VAL 89 -2.221 4.468 6.995 680 HG13 VAL 89 3HG1 VAL 89 -1.149 5.130 8.222 681 HG21 VAL 89 3HG2 VAL 89 -4.006 2.130 9.069 682 HG22 VAL 89 1HG2 VAL 89 -3.940 3.010 7.542 683 HG23 VAL 89 2HG2 VAL 89 -2.853 1.635 7.826 684 H VAL 90 H VAL 90 1.044 2.733 8.952 685 HA VAL 90 HA VAL 90 1.801 5.002 10.714 686 HB VAL 90 HB VAL 90 3.601 2.663 9.926 687 HG11 VAL 90 1HG1 VAL 90 4.696 4.893 10.342 688 HG12 VAL 90 2HG1 VAL 90 4.019 4.881 11.978 689 HG13 VAL 90 3HG1 VAL 90 5.180 3.635 11.465 690 HG21 VAL 90 3HG2 VAL 90 2.017 1.745 11.507 691 HG22 VAL 90 1HG2 VAL 90 3.546 2.022 12.352 692 HG23 VAL 90 2HG2 VAL 90 2.186 3.152 12.571 693 H THR 91 H THR 91 2.656 6.624 9.569 694 HA THR 91 HA THR 91 2.411 6.465 6.625 695 HB THR 91 HB THR 91 2.015 8.934 7.028 696 HG1 THR 91 1HG THR 91 3.131 9.108 9.047 697 HG21 THR 91 3HG2 THR 91 -0.187 8.693 8.000 698 HG22 THR 91 1HG2 THR 91 0.228 7.142 8.765 699 HG23 THR 91 2HG2 THR 91 0.143 7.244 7.022 700 H LYS 92 H LYS 92 4.104 7.288 5.287 701 HA LYS 92 HA LYS 92 6.452 8.637 6.438 702 HB2 LYS 92 1HB LYS 92 6.242 5.819 5.665 703 HB3 LYS 92 2HB LYS 92 7.278 6.615 4.517 704 HG2 LYS 92 1HG LYS 92 7.792 7.198 7.420 705 HG3 LYS 92 2HG LYS 92 8.050 5.546 6.870 706 HD2 LYS 92 1HD LYS 92 9.521 6.519 4.993 707 HD3 LYS 92 2HD LYS 92 9.365 8.078 5.804 708 HE2 LYS 92 1HE LYS 92 11.429 7.074 6.545 709 HE3 LYS 92 2HE LYS 92 10.279 7.042 7.897 710 HZ1 LYS 92 3HZ LYS 92 10.934 4.778 6.107 711 HZ2 LYS 92 1HZ LYS 92 9.829 4.705 7.338 712 HZ3 LYS 92 2HZ LYS 92 11.388 4.925 7.699 713 H TYR 93 H TYR 93 7.633 9.805 4.693 714 HA TYR 93 HA TYR 93 6.027 10.183 2.260 715 HB2 TYR 93 1HB TYR 93 8.657 11.403 3.178 716 HB3 TYR 93 2HB TYR 93 7.861 11.763 1.664 717 HD1 TYR 93 2HD TYR 93 5.276 12.512 1.859 718 HD2 TYR 93 1HD TYR 93 8.188 12.862 5.030 719 HE1 TYR 93 2HE TYR 93 3.907 14.247 2.908 720 HE2 TYR 93 1HE TYR 93 6.812 14.629 6.081 721 HH TYR 93 HH TYR 93 4.793 15.865 5.975 722 H CYS 94 H CYS 94 6.859 9.625 0.170 723 HA CYS 94 HA CYS 94 9.187 7.809 0.071 724 HB2 CYS 94 1HB CYS 94 6.409 7.249 -0.573 725 HB3 CYS 94 2HB CYS 94 7.323 7.302 -2.073 726 HG CYS 94 HG CYS 94 8.846 5.328 -1.610 727 H ASP 95 H ASP 95 9.469 7.777 -2.691 728 HA ASP 95 HA ASP 95 9.539 10.657 -3.431 729 HB2 ASP 95 1HB ASP 95 11.449 8.517 -4.400 730 HB3 ASP 95 2HB ASP 95 11.405 10.214 -4.857 731 HA PRO 96 HA PRO 96 6.688 9.112 -6.511 732 HB2 PRO 96 1HB PRO 96 6.695 11.141 -8.342 733 HB3 PRO 96 2HB PRO 96 5.935 11.297 -6.743 734 HG2 PRO 96 1HG PRO 96 8.700 12.183 -7.585 735 HG3 PRO 96 2HG PRO 96 7.482 13.118 -6.647 736 HD2 PRO 96 1HD PRO 96 9.536 11.829 -5.434 737 HD3 PRO 96 2HD PRO 96 7.901 11.851 -4.704 738 H ASP 97 H ASP 97 9.971 10.033 -7.299 739 HA ASP 97 HA ASP 97 10.311 9.043 -9.910 740 HB2 ASP 97 1HB ASP 97 12.019 10.106 -8.148 741 HB3 ASP 97 2HB ASP 97 12.269 8.403 -7.677 742 H SER 98 H SER 98 10.586 7.318 -6.775 743 HA SER 98 HA SER 98 11.019 4.833 -7.915 744 HB2 SER 98 1HB SER 98 9.914 4.345 -5.382 745 HB3 SER 98 2HB SER 98 11.627 4.555 -5.776 746 HG SER 98 HG SER 98 9.804 6.608 -4.967 747 H TYR 99 H TYR 99 8.124 6.605 -7.124 748 HA TYR 99 HA TYR 99 6.253 4.505 -6.767 749 HB2 TYR 99 1HB TYR 99 6.204 6.913 -5.934 750 HB3 TYR 99 2HB TYR 99 5.739 7.406 -7.569 751 HD1 TYR 99 2HD TYR 99 3.456 6.958 -8.457 752 HD2 TYR 99 1HD TYR 99 4.686 5.807 -4.474 753 HE1 TYR 99 2HE TYR 99 1.200 6.262 -8.000 754 HE2 TYR 99 1HE TYR 99 2.342 5.354 -3.929 755 HH TYR 99 HH TYR 99 -0.053 4.786 -6.371 756 H HIS 100 H HIS 100 7.031 6.604 -9.550 757 HA HIS 100 HA HIS 100 4.973 5.652 -11.286 758 HB2 HIS 100 1HB HIS 100 7.748 6.777 -11.879 759 HB3 HIS 100 2HB HIS 100 6.466 6.556 -13.080 760 HD1 HIS 100 1HD HIS 100 7.886 9.316 -11.434 761 HD2 HIS 100 2HD HIS 100 3.943 7.822 -11.585 762 HE1 HIS 100 1HE HIS 100 6.344 11.278 -10.971 763 H ARG 101 H ARG 101 8.207 4.434 -10.551 764 HA ARG 101 HA ARG 101 7.941 2.252 -12.558 765 HB2 ARG 101 1HB ARG 101 10.367 1.961 -12.249 766 HB3 ARG 101 2HB ARG 101 9.906 3.559 -12.811 767 HG2 ARG 101 1HG ARG 101 10.085 4.113 -10.195 768 HG3 ARG 101 2HG ARG 101 11.104 2.677 -10.208 769 HD2 ARG 101 1HD ARG 101 12.547 3.703 -11.943 770 HD3 ARG 101 2HD ARG 101 11.430 5.054 -12.093 771 HE ARG 101 HE ARG 101 12.071 5.974 -10.130 772 HH11 ARG 101 1HH1 ARG 101 14.061 3.145 -10.854 773 HH12 ARG 101 2HH1 ARG 101 15.293 3.544 -9.714 774 HH21 ARG 101 1HH2 ARG 101 13.523 6.345 -8.388 775 HH22 ARG 101 2HH2 ARG 101 14.809 5.248 -8.083 776 H ARG 102 H ARG 102 9.566 0.308 -11.340 777 HA ARG 102 HA ARG 102 7.793 -0.514 -9.102 778 HB2 ARG 102 1HB ARG 102 8.045 -1.979 -11.244 779 HB3 ARG 102 2HB ARG 102 9.638 -2.393 -10.594 780 HG2 ARG 102 1HG ARG 102 7.941 -2.691 -8.411 781 HG3 ARG 102 2HG ARG 102 6.952 -3.241 -9.769 782 HD2 ARG 102 1HD ARG 102 9.647 -4.196 -8.810 783 HD3 ARG 102 2HD ARG 102 8.110 -5.049 -8.810 784 HE ARG 102 HE ARG 102 8.535 -4.510 -11.470 785 HH11 ARG 102 1HH1 ARG 102 10.272 -6.329 -8.972 786 HH12 ARG 102 2HH1 ARG 102 11.111 -7.361 -10.068 787 HH21 ARG 102 1HH2 ARG 102 9.670 -5.699 -12.911 788 HH22 ARG 102 2HH2 ARG 102 10.605 -7.109 -12.423 789 H ASP 103 H ASP 103 9.657 1.423 -8.313 790 HA ASP 103 HA ASP 103 12.042 -0.118 -7.378 791 HB2 ASP 103 1HB ASP 103 12.664 1.663 -8.810 792 HB3 ASP 103 2HB ASP 103 11.755 2.835 -7.871 793 H PHE 104 H PHE 104 11.242 -1.078 -5.617 794 HA PHE 104 HA PHE 104 10.476 0.551 -3.308 795 HB2 PHE 104 1HB PHE 104 9.030 -2.030 -3.606 796 HB3 PHE 104 2HB PHE 104 8.505 -0.547 -2.852 797 HD1 PHE 104 1HD PHE 104 8.186 1.446 -4.882 798 HD2 PHE 104 2HD PHE 104 7.673 -2.819 -5.257 799 HE1 PHE 104 1HE PHE 104 6.651 1.792 -6.802 800 HE2 PHE 104 2HE PHE 104 6.113 -2.472 -7.131 801 HZ PHE 104 HZ PHE 104 5.540 -0.156 -7.873 802 H TRP 105 H TRP 105 10.628 -0.979 -1.291 803 HA TRP 105 HA TRP 105 12.445 -3.226 -1.574 804 HB2 TRP 105 1HB TRP 105 13.814 -1.076 -1.299 805 HB3 TRP 105 2HB TRP 105 13.035 -0.879 0.277 806 HD1 TRP 105 HD TRP 105 14.595 -4.084 -1.240 807 HE1 TRP 105 1HE TRP 105 16.542 -4.843 0.156 808 HE3 TRP 105 3HE TRP 105 14.634 -0.247 2.162 809 HZ2 TRP 105 2HZ TRP 105 18.109 -3.803 2.388 810 HZ3 TRP 105 3HZ TRP 105 16.438 -0.112 3.865 811 HH2 TRP 105 HH TRP 105 18.233 -1.835 3.927 Start of MODEL 10 1 H1 GLY 1 H GLY 1 14.683 12.773 7.240 2 HA2 GLY 1 1HA GLY 1 15.854 15.318 6.260 3 HA3 GLY 1 2HA GLY 1 16.694 13.753 6.158 4 H GLY 2 H GLY 2 15.553 15.723 4.046 5 HA2 GLY 2 1HA GLY 2 14.881 15.051 1.867 6 HA3 GLY 2 2HA GLY 2 13.895 13.750 2.547 7 H HIS 3 H HIS 3 12.502 15.226 0.931 8 HA HIS 3 HA HIS 3 11.209 17.470 2.406 9 HB2 HIS 3 1HB HIS 3 11.007 18.570 0.287 10 HB3 HIS 3 2HB HIS 3 12.675 18.117 0.501 11 HD1 HIS 3 1HD HIS 3 13.333 15.652 -1.044 12 HD2 HIS 3 2HD HIS 3 10.122 18.206 -2.052 13 HE1 HIS 3 1HE HIS 3 12.760 15.156 -3.422 14 HA PRO 4 HA PRO 4 7.395 15.277 1.762 15 HB2 PRO 4 1HB PRO 4 5.592 17.305 1.419 16 HB3 PRO 4 2HB PRO 4 6.320 16.943 3.006 17 HG2 PRO 4 1HG PRO 4 7.103 19.076 1.018 18 HG3 PRO 4 2HG PRO 4 6.975 19.211 2.806 19 HD2 PRO 4 1HD PRO 4 9.335 18.869 1.501 20 HD3 PRO 4 2HD PRO 4 9.035 18.235 3.141 21 H THR 5 H THR 5 6.100 14.588 -0.037 22 HA THR 5 HA THR 5 6.392 16.038 -2.572 23 HB THR 5 HB THR 5 7.049 14.102 -3.811 24 HG1 THR 5 1HG THR 5 7.675 12.475 -1.703 25 HG21 THR 5 3HG2 THR 5 8.953 14.221 -1.425 26 HG22 THR 5 1HG2 THR 5 8.893 15.420 -2.742 27 HG23 THR 5 2HG2 THR 5 9.330 13.768 -3.098 28 H GLU 6 H GLU 6 4.900 14.610 -4.211 29 HA GLU 6 HA GLU 6 2.264 14.563 -2.948 30 HB2 GLU 6 1HB GLU 6 1.430 14.230 -5.201 31 HB3 GLU 6 2HB GLU 6 2.476 15.616 -5.061 32 HG2 GLU 6 1HG GLU 6 4.350 14.265 -6.038 33 HG3 GLU 6 2HG GLU 6 3.160 12.994 -6.405 34 H VAL 7 H VAL 7 4.668 12.359 -2.615 35 HA VAL 7 HA VAL 7 2.828 10.055 -2.837 36 HB VAL 7 HB VAL 7 5.815 10.136 -3.424 37 HG11 VAL 7 1HG1 VAL 7 5.542 7.829 -4.188 38 HG12 VAL 7 2HG1 VAL 7 5.115 7.934 -2.490 39 HG13 VAL 7 3HG1 VAL 7 3.825 7.827 -3.711 40 HG21 VAL 7 3HG2 VAL 7 4.592 11.169 -5.255 41 HG22 VAL 7 1HG2 VAL 7 5.036 9.544 -5.773 42 HG23 VAL 7 2HG2 VAL 7 3.383 9.870 -5.254 43 H LEU 8 H LEU 8 2.864 8.594 -1.258 44 HA LEU 8 HA LEU 8 4.438 9.066 1.231 45 HB2 LEU 8 1HB LEU 8 1.504 8.720 0.679 46 HB3 LEU 8 2HB LEU 8 2.114 8.050 2.162 47 HG LEU 8 HG LEU 8 2.407 10.928 1.419 48 HD11 LEU 8 1HD1 LEU 8 -0.014 10.105 1.587 49 HD12 LEU 8 2HD1 LEU 8 0.400 11.414 2.658 50 HD13 LEU 8 3HD1 LEU 8 0.317 9.744 3.296 51 HD21 LEU 8 3HD2 LEU 8 3.993 10.386 3.024 52 HD22 LEU 8 1HD2 LEU 8 2.759 9.686 4.105 53 HD23 LEU 8 2HD2 LEU 8 2.798 11.437 3.699 54 H CYS 9 H CYS 9 4.607 7.304 2.452 55 HA CYS 9 HA CYS 9 4.115 4.557 1.257 56 HB2 CYS 9 1HB CYS 9 6.472 4.729 1.372 57 HB3 CYS 9 2HB CYS 9 6.436 5.569 2.934 58 HG CYS 9 HG CYS 9 5.385 3.479 4.219 59 H LEU 10 H LEU 10 2.352 3.726 2.259 60 HA LEU 10 HA LEU 10 1.905 4.166 5.169 61 HB2 LEU 10 1HB LEU 10 0.206 2.685 3.132 62 HB3 LEU 10 2HB LEU 10 -0.206 3.051 4.793 63 HG LEU 10 HG LEU 10 0.295 5.386 2.953 64 HD11 LEU 10 1HD1 LEU 10 -2.124 5.287 2.260 65 HD12 LEU 10 2HD1 LEU 10 -2.187 3.630 2.878 66 HD13 LEU 10 3HD1 LEU 10 -1.087 4.049 1.543 67 HD21 LEU 10 3HD2 LEU 10 -0.245 5.562 5.448 68 HD22 LEU 10 1HD2 LEU 10 -1.866 4.966 5.035 69 HD23 LEU 10 2HD2 LEU 10 -1.294 6.485 4.343 70 H MET 11 H MET 11 1.840 2.161 6.463 71 HA MET 11 HA MET 11 2.947 -0.294 5.164 72 HB2 MET 11 1HB MET 11 3.884 1.040 7.731 73 HB3 MET 11 2HB MET 11 4.373 -0.577 7.233 74 HG2 MET 11 1HG MET 11 5.796 0.129 5.632 75 HG3 MET 11 2HG MET 11 4.841 1.522 5.175 76 HE1 MET 11 3HE MET 11 5.075 3.954 6.122 77 HE2 MET 11 1HE MET 11 4.283 3.234 7.534 78 HE3 MET 11 2HE MET 11 5.709 4.263 7.750 79 H ASN 12 H ASN 12 2.819 -2.145 6.863 80 HA ASN 12 HA ASN 12 1.689 -3.513 8.237 81 HB2 ASN 12 1HB ASN 12 0.644 -0.995 9.513 82 HB3 ASN 12 2HB ASN 12 0.662 -2.595 10.248 83 HD21 ASN 12 1HD2 ASN 12 1.651 -0.374 11.474 84 HD22 ASN 12 2HD2 ASN 12 3.308 -0.818 11.912 85 H MET 13 H MET 13 0.152 -2.104 5.865 86 HA MET 13 HA MET 13 -2.534 -1.823 6.706 87 HB2 MET 13 1HB MET 13 -1.221 -0.952 4.628 88 HB3 MET 13 2HB MET 13 -1.714 -2.420 3.845 89 HG2 MET 13 1HG MET 13 -3.865 -1.712 3.586 90 HG3 MET 13 2HG MET 13 -3.932 -1.005 5.203 91 HE1 MET 13 3HE MET 13 -2.782 1.095 5.934 92 HE2 MET 13 1HE MET 13 -1.287 1.207 5.020 93 HE3 MET 13 2HE MET 13 -2.500 2.506 4.903 94 H VAL 14 H VAL 14 -1.039 -4.390 4.687 95 HA VAL 14 HA VAL 14 -3.011 -6.396 5.602 96 HB VAL 14 HB VAL 14 -2.636 -7.132 3.022 97 HG11 VAL 14 1HG1 VAL 14 -4.791 -6.571 4.141 98 HG12 VAL 14 2HG1 VAL 14 -4.459 -4.850 3.873 99 HG13 VAL 14 3HG1 VAL 14 -4.703 -5.943 2.495 100 HG21 VAL 14 3HG2 VAL 14 -2.454 -5.375 1.463 101 HG22 VAL 14 1HG2 VAL 14 -2.375 -4.152 2.697 102 HG23 VAL 14 2HG2 VAL 14 -1.025 -5.309 2.517 103 H LEU 15 H LEU 15 -2.223 -8.536 5.516 104 HA LEU 15 HA LEU 15 0.663 -8.889 5.936 105 HB2 LEU 15 1HB LEU 15 -1.711 -10.825 5.951 106 HB3 LEU 15 2HB LEU 15 -0.075 -11.301 6.283 107 HG LEU 15 HG LEU 15 -1.750 -9.431 7.973 108 HD11 LEU 15 1HD1 LEU 15 -2.327 -11.840 8.079 109 HD12 LEU 15 2HD1 LEU 15 -1.597 -11.303 9.592 110 HD13 LEU 15 3HD1 LEU 15 -0.636 -12.245 8.436 111 HD21 LEU 15 3HD2 LEU 15 0.563 -8.681 8.161 112 HD22 LEU 15 1HD2 LEU 15 1.128 -10.349 8.405 113 HD23 LEU 15 2HD2 LEU 15 0.103 -9.539 9.622 114 HA PRO 16 HA PRO 16 1.416 -10.571 1.838 115 HB2 PRO 16 1HB PRO 16 3.258 -12.591 2.303 116 HB3 PRO 16 2HB PRO 16 3.668 -10.879 2.474 117 HG2 PRO 16 1HG PRO 16 2.768 -12.808 4.634 118 HG3 PRO 16 2HG PRO 16 4.192 -11.737 4.662 119 HD2 PRO 16 1HD PRO 16 1.952 -10.973 5.875 120 HD3 PRO 16 2HD PRO 16 2.854 -9.798 4.911 121 H GLU 17 H GLU 17 -0.565 -12.110 3.960 122 HA GLU 17 HA GLU 17 -1.039 -14.433 2.194 123 HB2 GLU 17 1HB GLU 17 -1.290 -15.896 4.113 124 HB3 GLU 17 2HB GLU 17 0.318 -15.235 3.959 125 HG2 GLU 17 1HG GLU 17 -0.599 -13.447 5.741 126 HG3 GLU 17 2HG GLU 17 -1.748 -14.749 6.072 127 H GLU 18 H GLU 18 -2.262 -11.730 2.380 128 HA GLU 18 HA GLU 18 -5.016 -12.702 2.256 129 HB2 GLU 18 1HB GLU 18 -5.941 -10.750 3.408 130 HB3 GLU 18 2HB GLU 18 -5.060 -11.822 4.468 131 HG2 GLU 18 1HG GLU 18 -3.111 -10.297 4.329 132 HG3 GLU 18 2HG GLU 18 -4.046 -9.180 3.345 133 H LEU 19 H LEU 19 -2.842 -11.965 0.392 134 HA LEU 19 HA LEU 19 -4.247 -9.981 -1.323 135 HB2 LEU 19 1HB LEU 19 -1.243 -10.245 -0.788 136 HB3 LEU 19 2HB LEU 19 -1.954 -9.292 -2.102 137 HG LEU 19 HG LEU 19 -2.464 -8.773 0.851 138 HD11 LEU 19 1HD1 LEU 19 -0.904 -6.918 0.620 139 HD12 LEU 19 2HD1 LEU 19 -0.572 -7.410 -1.060 140 HD13 LEU 19 3HD1 LEU 19 -0.102 -8.461 0.294 141 HD21 LEU 19 3HD2 LEU 19 -3.373 -6.606 -0.038 142 HD22 LEU 19 1HD2 LEU 19 -4.256 -7.941 -0.733 143 HD23 LEU 19 2HD2 LEU 19 -3.012 -7.134 -1.696 144 H LEU 20 H LEU 20 -5.201 -11.987 -2.122 145 HA LEU 20 HA LEU 20 -3.438 -13.575 -3.927 146 HB2 LEU 20 1HB LEU 20 -5.547 -14.758 -2.044 147 HB3 LEU 20 2HB LEU 20 -4.756 -15.568 -3.364 148 HG LEU 20 HG LEU 20 -3.783 -16.463 -1.532 149 HD11 LEU 20 1HD1 LEU 20 -2.127 -15.664 -3.253 150 HD12 LEU 20 2HD1 LEU 20 -1.482 -16.051 -1.668 151 HD13 LEU 20 3HD1 LEU 20 -1.680 -14.352 -2.149 152 HD21 LEU 20 3HD2 LEU 20 -2.862 -15.227 0.425 153 HD22 LEU 20 1HD2 LEU 20 -4.607 -15.074 0.224 154 HD23 LEU 20 2HD2 LEU 20 -3.568 -13.738 -0.214 155 H ASP 21 H ASP 21 -6.746 -12.958 -2.737 156 HA ASP 21 HA ASP 21 -8.168 -13.675 -5.050 157 HB2 ASP 21 1HB ASP 21 -8.929 -11.945 -2.647 158 HB3 ASP 21 2HB ASP 21 -10.065 -12.616 -3.843 159 H ASP 22 H ASP 22 -7.720 -12.568 -6.928 160 HA ASP 22 HA ASP 22 -7.085 -9.866 -7.311 161 HB2 ASP 22 1HB ASP 22 -8.660 -11.767 -9.088 162 HB3 ASP 22 2HB ASP 22 -8.028 -10.215 -9.619 163 H GLU 23 H GLU 23 -10.076 -11.193 -6.356 164 HA GLU 23 HA GLU 23 -11.785 -9.284 -7.753 165 HB2 GLU 23 1HB GLU 23 -12.706 -11.361 -5.722 166 HB3 GLU 23 2HB GLU 23 -13.589 -10.641 -7.086 167 HG2 GLU 23 1HG GLU 23 -11.579 -11.770 -8.488 168 HG3 GLU 23 2HG GLU 23 -11.455 -12.794 -7.061 169 H GLU 24 H GLU 24 -11.498 -10.222 -4.287 170 HA GLU 24 HA GLU 24 -12.598 -7.875 -3.220 171 HB2 GLU 24 1HB GLU 24 -12.615 -9.814 -1.973 172 HB3 GLU 24 2HB GLU 24 -10.935 -10.230 -2.334 173 HG2 GLU 24 1HG GLU 24 -10.053 -8.767 -0.782 174 HG3 GLU 24 2HG GLU 24 -11.556 -7.812 -0.669 175 H TYR 25 H TYR 25 -9.263 -8.601 -4.291 176 HA TYR 25 HA TYR 25 -7.924 -6.487 -3.090 177 HB2 TYR 25 1HB TYR 25 -6.806 -8.175 -4.418 178 HB3 TYR 25 2HB TYR 25 -7.604 -7.615 -5.889 179 HD1 TYR 25 1HD TYR 25 -7.098 -5.211 -6.731 180 HD2 TYR 25 2HD TYR 25 -4.779 -7.230 -3.692 181 HE1 TYR 25 1HE TYR 25 -5.261 -3.611 -7.094 182 HE2 TYR 25 2HE TYR 25 -2.886 -5.699 -4.104 183 HH TYR 25 HH TYR 25 -2.155 -3.941 -5.327 184 H GLU 26 H GLU 26 -10.179 -6.317 -5.971 185 HA GLU 26 HA GLU 26 -9.357 -3.629 -6.684 186 HB2 GLU 26 1HB GLU 26 -11.193 -5.842 -7.593 187 HB3 GLU 26 2HB GLU 26 -11.635 -4.222 -8.013 188 HG2 GLU 26 1HG GLU 26 -8.995 -5.555 -8.697 189 HG3 GLU 26 2HG GLU 26 -10.353 -5.399 -9.782 190 H GLU 27 H GLU 27 -12.099 -5.313 -5.082 191 HA GLU 27 HA GLU 27 -13.819 -3.136 -4.681 192 HB2 GLU 27 1HB GLU 27 -13.343 -5.408 -2.686 193 HB3 GLU 27 2HB GLU 27 -14.778 -4.401 -2.836 194 HG2 GLU 27 1HG GLU 27 -15.201 -5.409 -5.095 195 HG3 GLU 27 2HG GLU 27 -13.835 -6.501 -4.799 196 H ILE 28 H ILE 28 -11.160 -4.293 -2.639 197 HA ILE 28 HA ILE 28 -11.582 -2.423 -0.507 198 HB ILE 28 HB ILE 28 -9.302 -4.235 -1.342 199 HG12 ILE 28 1HG1 ILE 28 -11.173 -4.261 1.083 200 HG13 ILE 28 2HG1 ILE 28 -11.459 -5.176 -0.393 201 HG21 ILE 28 1HG2 ILE 28 -9.415 -2.425 1.113 202 HG22 ILE 28 2HG2 ILE 28 -8.237 -3.739 0.871 203 HG23 ILE 28 3HG2 ILE 28 -8.227 -2.344 -0.214 204 HD11 ILE 28 3HD1 ILE 28 -10.523 -6.664 1.234 205 HD12 ILE 28 1HD1 ILE 28 -9.298 -6.405 -0.032 206 HD13 ILE 28 2HD1 ILE 28 -9.158 -5.600 1.552 207 H VAL 29 H VAL 29 -9.496 -2.262 -3.464 208 HA VAL 29 HA VAL 29 -8.074 0.073 -2.608 209 HB VAL 29 HB VAL 29 -8.688 -1.060 -5.351 210 HG11 VAL 29 1HG1 VAL 29 -8.346 1.312 -5.767 211 HG12 VAL 29 2HG1 VAL 29 -6.945 1.351 -4.680 212 HG13 VAL 29 3HG1 VAL 29 -6.865 0.465 -6.216 213 HG21 VAL 29 3HG2 VAL 29 -6.063 -0.844 -3.791 214 HG22 VAL 29 1HG2 VAL 29 -7.084 -2.282 -3.799 215 HG23 VAL 29 2HG2 VAL 29 -6.342 -1.740 -5.306 216 H GLU 30 H GLU 30 -11.254 -0.327 -4.272 217 HA GLU 30 HA GLU 30 -11.544 2.512 -4.711 218 HB2 GLU 30 1HB GLU 30 -13.686 0.331 -4.612 219 HB3 GLU 30 2HB GLU 30 -13.886 1.975 -5.232 220 HG2 GLU 30 1HG GLU 30 -11.746 1.070 -6.750 221 HG3 GLU 30 2HG GLU 30 -12.669 -0.410 -6.512 222 H ASP 31 H ASP 31 -12.410 0.364 -2.089 223 HA ASP 31 HA ASP 31 -14.167 2.213 -0.722 224 HB2 ASP 31 1HB ASP 31 -14.163 -0.180 -0.177 225 HB3 ASP 31 2HB ASP 31 -12.493 -0.066 0.384 226 H VAL 32 H VAL 32 -10.685 1.631 -0.673 227 HA VAL 32 HA VAL 32 -10.298 3.473 1.609 228 HB VAL 32 HB VAL 32 -8.252 2.094 -0.213 229 HG11 VAL 32 1HG1 VAL 32 -7.254 4.088 0.856 230 HG12 VAL 32 2HG1 VAL 32 -7.900 3.596 2.432 231 HG13 VAL 32 3HG1 VAL 32 -6.651 2.631 1.632 232 HG21 VAL 32 3HG2 VAL 32 -9.507 1.425 2.474 233 HG22 VAL 32 1HG2 VAL 32 -9.460 0.416 1.049 234 HG23 VAL 32 2HG2 VAL 32 -7.962 0.686 1.942 235 H ARG 33 H ARG 33 -9.848 3.591 -1.970 236 HA ARG 33 HA ARG 33 -8.720 6.181 -2.105 237 HB2 ARG 33 1HB ARG 33 -8.909 4.772 -4.057 238 HB3 ARG 33 2HB ARG 33 -10.663 4.697 -3.898 239 HG2 ARG 33 1HG ARG 33 -10.819 7.134 -4.444 240 HG3 ARG 33 2HG ARG 33 -9.045 7.190 -4.626 241 HD2 ARG 33 1HD ARG 33 -9.136 5.575 -6.421 242 HD3 ARG 33 2HD ARG 33 -10.863 5.293 -6.192 243 HE ARG 33 HE ARG 33 -9.606 7.301 -7.767 244 HH11 ARG 33 1HH1 ARG 33 -12.590 6.654 -5.904 245 HH12 ARG 33 2HH1 ARG 33 -13.548 7.763 -6.822 246 HH21 ARG 33 1HH2 ARG 33 -10.921 8.630 -9.061 247 HH22 ARG 33 2HH2 ARG 33 -12.631 8.647 -8.778 248 H ASP 34 H ASP 34 -12.095 5.197 -1.477 249 HA ASP 34 HA ASP 34 -13.242 7.783 -1.648 250 HB2 ASP 34 1HB ASP 34 -14.158 5.215 -1.009 251 HB3 ASP 34 2HB ASP 34 -14.400 6.092 0.477 252 H GLU 35 H GLU 35 -11.533 6.107 1.009 253 HA GLU 35 HA GLU 35 -12.355 8.064 2.932 254 HB2 GLU 35 1HB GLU 35 -11.513 6.760 4.513 255 HB3 GLU 35 2HB GLU 35 -11.714 5.548 3.279 256 HG2 GLU 35 1HG GLU 35 -9.299 5.479 2.930 257 HG3 GLU 35 2HG GLU 35 -9.048 6.890 3.929 258 H CYS 36 H CYS 36 -9.254 7.401 1.192 259 HA CYS 36 HA CYS 36 -7.921 9.642 2.377 260 HB2 CYS 36 1HB CYS 36 -6.500 9.265 0.175 261 HB3 CYS 36 2HB CYS 36 -6.291 8.287 1.615 262 HG CYS 36 HG CYS 36 -7.882 6.356 0.698 263 H SER 37 H SER 37 -10.126 9.333 -0.352 264 HA SER 37 HA SER 37 -9.798 11.933 -1.397 265 HB2 SER 37 1HB SER 37 -10.844 10.273 -2.676 266 HB3 SER 37 2HB SER 37 -12.016 9.899 -1.436 267 HG SER 37 HG SER 37 -13.266 11.231 -2.310 268 H LYS 38 H LYS 38 -10.978 11.152 1.792 269 HA LYS 38 HA LYS 38 -12.830 13.320 2.137 270 HB2 LYS 38 1HB LYS 38 -10.925 11.901 4.022 271 HB3 LYS 38 2HB LYS 38 -11.938 13.219 4.564 272 HG2 LYS 38 1HG LYS 38 -13.926 12.035 4.300 273 HG3 LYS 38 2HG LYS 38 -13.209 10.848 3.192 274 HD2 LYS 38 1HD LYS 38 -12.194 9.631 4.874 275 HD3 LYS 38 2HD LYS 38 -12.081 10.999 5.990 276 HE2 LYS 38 1HE LYS 38 -14.282 10.808 6.701 277 HE3 LYS 38 2HE LYS 38 -14.810 9.969 5.234 278 HZ1 LYS 38 3HZ LYS 38 -14.604 8.585 7.314 279 HZ2 LYS 38 1HZ LYS 38 -12.966 8.603 7.077 280 HZ3 LYS 38 2HZ LYS 38 -13.961 8.001 5.930 281 H TYR 39 H TYR 39 -9.276 13.148 2.232 282 HA TYR 39 HA TYR 39 -9.023 15.695 3.619 283 HB2 TYR 39 1HB TYR 39 -7.060 13.565 2.676 284 HB3 TYR 39 2HB TYR 39 -6.572 15.013 3.549 285 HD1 TYR 39 2HD TYR 39 -8.651 11.900 3.832 286 HD2 TYR 39 1HD TYR 39 -6.788 15.182 5.925 287 HE1 TYR 39 2HE TYR 39 -9.509 11.019 5.944 288 HE2 TYR 39 1HE TYR 39 -7.590 14.267 8.072 289 HH TYR 39 HH TYR 39 -8.782 12.632 9.098 290 H GLY 40 H GLY 40 -9.168 14.890 0.343 291 HA2 GLY 40 1HA GLY 40 -8.417 17.023 -1.156 292 HA3 GLY 40 2HA GLY 40 -6.890 16.241 -0.674 293 H LEU 41 H LEU 41 -6.675 15.559 -2.987 294 HA LEU 41 HA LEU 41 -8.395 13.187 -3.473 295 HB2 LEU 41 1HB LEU 41 -8.723 15.161 -4.906 296 HB3 LEU 41 2HB LEU 41 -7.087 15.013 -5.453 297 HG LEU 41 HG LEU 41 -7.446 12.932 -6.580 298 HD11 LEU 41 1HD1 LEU 41 -9.524 11.646 -6.609 299 HD12 LEU 41 2HD1 LEU 41 -10.260 12.708 -5.403 300 HD13 LEU 41 3HD1 LEU 41 -8.902 11.654 -4.976 301 HD21 LEU 41 3HD2 LEU 41 -9.956 14.612 -6.833 302 HD22 LEU 41 1HD2 LEU 41 -9.307 13.484 -8.052 303 HD23 LEU 41 2HD2 LEU 41 -8.418 14.964 -7.626 304 H VAL 42 H VAL 42 -7.565 11.410 -3.611 305 HA VAL 42 HA VAL 42 -4.654 10.845 -3.665 306 HB VAL 42 HB VAL 42 -5.620 9.597 -1.989 307 HG11 VAL 42 1HG1 VAL 42 -8.051 9.366 -3.695 308 HG12 VAL 42 2HG1 VAL 42 -7.652 7.977 -2.675 309 HG13 VAL 42 3HG1 VAL 42 -7.850 9.532 -1.918 310 HG21 VAL 42 3HG2 VAL 42 -5.397 7.284 -2.623 311 HG22 VAL 42 1HG2 VAL 42 -5.627 7.681 -4.330 312 HG23 VAL 42 2HG2 VAL 42 -4.180 8.243 -3.464 313 H LYS 43 H LYS 43 -3.763 9.866 -5.330 314 HA LYS 43 HA LYS 43 -5.114 10.124 -7.947 315 HB2 LYS 43 1HB LYS 43 -2.980 11.383 -7.418 316 HB3 LYS 43 2HB LYS 43 -2.172 9.830 -7.227 317 HG2 LYS 43 1HG LYS 43 -1.733 10.755 -9.423 318 HG3 LYS 43 2HG LYS 43 -2.635 9.253 -9.570 319 HD2 LYS 43 1HD LYS 43 -4.289 11.759 -9.458 320 HD3 LYS 43 2HD LYS 43 -3.216 11.587 -10.845 321 HE2 LYS 43 1HE LYS 43 -4.187 9.364 -11.364 322 HE3 LYS 43 2HE LYS 43 -5.197 9.431 -9.927 323 HZ1 LYS 43 3HZ LYS 43 -6.397 11.256 -10.864 324 HZ2 LYS 43 1HZ LYS 43 -6.389 9.986 -11.926 325 HZ3 LYS 43 2HZ LYS 43 -5.444 11.274 -12.211 326 H SER 44 H SER 44 -2.864 7.883 -6.200 327 HA SER 44 HA SER 44 -4.447 5.595 -7.074 328 HB2 SER 44 1HB SER 44 -1.749 6.177 -8.354 329 HB3 SER 44 2HB SER 44 -2.356 4.522 -8.188 330 HG SER 44 HG SER 44 -4.039 6.505 -9.204 331 H ILE 45 H ILE 45 -3.768 3.638 -6.155 332 HA ILE 45 HA ILE 45 -2.006 3.844 -3.765 333 HB ILE 45 HB ILE 45 -4.708 2.462 -4.089 334 HG12 ILE 45 1HG1 ILE 45 -4.044 4.419 -1.881 335 HG13 ILE 45 2HG1 ILE 45 -4.392 5.043 -3.475 336 HG21 ILE 45 1HG2 ILE 45 -3.210 1.031 -2.748 337 HG22 ILE 45 2HG2 ILE 45 -2.789 2.402 -1.704 338 HG23 ILE 45 3HG2 ILE 45 -4.442 1.744 -1.715 339 HD11 ILE 45 3HD1 ILE 45 -6.591 3.868 -3.487 340 HD12 ILE 45 1HD1 ILE 45 -6.249 3.254 -1.849 341 HD13 ILE 45 2HD1 ILE 45 -6.436 4.994 -2.121 342 H GLU 46 H GLU 46 -0.414 2.435 -3.975 343 HA GLU 46 HA GLU 46 -0.697 0.145 -5.855 344 HB2 GLU 46 1HB GLU 46 1.425 1.853 -5.720 345 HB3 GLU 46 2HB GLU 46 1.962 0.607 -4.606 346 HG2 GLU 46 1HG GLU 46 1.523 0.470 -7.571 347 HG3 GLU 46 2HG GLU 46 2.895 0.025 -6.678 348 H ILE 47 H ILE 47 -0.730 -1.899 -5.032 349 HA ILE 47 HA ILE 47 0.073 -2.479 -2.263 350 HB ILE 47 HB ILE 47 -2.587 -3.536 -3.265 351 HG12 ILE 47 1HG1 ILE 47 -2.076 -1.137 -1.509 352 HG13 ILE 47 2HG1 ILE 47 -2.913 -1.205 -3.066 353 HG21 ILE 47 1HG2 ILE 47 -1.313 -3.627 -0.489 354 HG22 ILE 47 2HG2 ILE 47 -2.861 -4.327 -0.944 355 HG23 ILE 47 3HG2 ILE 47 -1.388 -4.975 -1.635 356 HD11 ILE 47 3HD1 ILE 47 -4.672 -2.647 -1.966 357 HD12 ILE 47 1HD1 ILE 47 -3.885 -2.232 -0.409 358 HD13 ILE 47 2HD1 ILE 47 -4.584 -0.960 -1.437 359 HA PRO 48 HA PRO 48 1.938 -5.251 -5.483 360 HB2 PRO 48 1HB PRO 48 3.875 -6.056 -3.498 361 HB3 PRO 48 2HB PRO 48 4.132 -5.066 -4.942 362 HG2 PRO 48 1HG PRO 48 3.818 -4.237 -2.115 363 HG3 PRO 48 2HG PRO 48 4.496 -3.295 -3.455 364 HD2 PRO 48 1HD PRO 48 2.067 -2.855 -2.239 365 HD3 PRO 48 2HD PRO 48 2.474 -2.312 -3.895 366 H ARG 49 H ARG 49 1.698 -7.589 -5.551 367 HA ARG 49 HA ARG 49 0.711 -8.877 -3.065 368 HB2 ARG 49 1HB ARG 49 -0.891 -10.214 -4.428 369 HB3 ARG 49 2HB ARG 49 -1.333 -8.527 -4.217 370 HG2 ARG 49 1HG ARG 49 0.197 -9.296 -6.701 371 HG3 ARG 49 2HG ARG 49 -1.474 -9.812 -6.571 372 HD2 ARG 49 1HD ARG 49 -1.083 -6.962 -5.829 373 HD3 ARG 49 2HD ARG 49 -0.617 -7.330 -7.483 374 HE ARG 49 HE ARG 49 -3.191 -8.461 -6.696 375 HH11 ARG 49 1HH1 ARG 49 -1.715 -5.479 -7.952 376 HH12 ARG 49 2HH1 ARG 49 -3.105 -5.027 -8.860 377 HH21 ARG 49 1HH2 ARG 49 -4.939 -7.924 -7.775 378 HH22 ARG 49 2HH2 ARG 49 -5.082 -6.472 -8.735 379 HA PRO 50 HA PRO 50 3.820 -11.859 -4.022 380 HB2 PRO 50 1HB PRO 50 2.740 -14.215 -3.078 381 HB3 PRO 50 2HB PRO 50 3.405 -12.922 -2.031 382 HG2 PRO 50 1HG PRO 50 0.517 -13.430 -2.802 383 HG3 PRO 50 2HG PRO 50 1.217 -13.061 -1.181 384 HD2 PRO 50 1HD PRO 50 0.059 -11.128 -2.680 385 HD3 PRO 50 2HD PRO 50 1.470 -10.825 -1.657 386 H VAL 51 H VAL 51 4.276 -13.707 -5.307 387 HA VAL 51 HA VAL 51 2.234 -14.264 -7.451 388 HB VAL 51 HB VAL 51 5.272 -14.262 -7.620 389 HG11 VAL 51 1HG1 VAL 51 3.157 -14.990 -9.691 390 HG12 VAL 51 2HG1 VAL 51 4.883 -14.698 -10.062 391 HG13 VAL 51 3HG1 VAL 51 4.415 -16.047 -9.024 392 HG21 VAL 51 3HG2 VAL 51 4.366 -11.981 -7.666 393 HG22 VAL 51 1HG2 VAL 51 4.887 -12.438 -9.293 394 HG23 VAL 51 2HG2 VAL 51 3.163 -12.453 -8.885 395 H ASP 52 H ASP 52 1.240 -16.058 -6.750 396 HA ASP 52 HA ASP 52 0.856 -18.186 -6.255 397 HB2 ASP 52 1HB ASP 52 2.210 -18.170 -8.433 398 HB3 ASP 52 2HB ASP 52 3.579 -18.729 -7.484 399 H GLY 53 H GLY 53 2.162 -16.720 -4.236 400 HA2 GLY 53 1HA GLY 53 2.390 -17.365 -1.917 401 HA3 GLY 53 2HA GLY 53 3.097 -18.904 -2.421 402 H VAL 54 H VAL 54 4.597 -16.747 -4.436 403 HA VAL 54 HA VAL 54 6.984 -16.646 -2.747 404 HB VAL 54 HB VAL 54 6.611 -15.938 -5.685 405 HG11 VAL 54 1HG1 VAL 54 8.623 -14.986 -4.760 406 HG12 VAL 54 2HG1 VAL 54 9.080 -16.543 -4.040 407 HG13 VAL 54 3HG1 VAL 54 9.021 -16.331 -5.813 408 HG21 VAL 54 3HG2 VAL 54 6.020 -18.360 -5.271 409 HG22 VAL 54 1HG2 VAL 54 7.477 -18.163 -6.224 410 HG23 VAL 54 2HG2 VAL 54 7.605 -18.577 -4.500 411 H GLU 55 H GLU 55 7.980 -14.818 -2.120 412 HA GLU 55 HA GLU 55 6.571 -12.394 -1.794 413 HB2 GLU 55 1HB GLU 55 8.608 -11.593 -0.780 414 HB3 GLU 55 2HB GLU 55 8.341 -13.275 -0.286 415 HG2 GLU 55 1HG GLU 55 9.890 -13.873 -2.278 416 HG3 GLU 55 2HG GLU 55 10.294 -12.162 -2.309 417 H VAL 56 H VAL 56 6.866 -10.413 -2.650 418 HA VAL 56 HA VAL 56 8.599 -10.030 -5.021 419 HB VAL 56 HB VAL 56 6.857 -7.888 -5.045 420 HG11 VAL 56 1HG1 VAL 56 7.628 -9.169 -7.035 421 HG12 VAL 56 2HG1 VAL 56 6.582 -10.530 -6.571 422 HG13 VAL 56 3HG1 VAL 56 5.868 -8.982 -7.070 423 HG21 VAL 56 3HG2 VAL 56 5.044 -10.245 -4.613 424 HG22 VAL 56 1HG2 VAL 56 5.304 -8.948 -3.427 425 HG23 VAL 56 2HG2 VAL 56 4.605 -8.573 -5.003 426 HA PRO 57 HA PRO 57 10.685 -7.100 -2.396 427 HB2 PRO 57 1HB PRO 57 11.879 -5.475 -4.291 428 HB3 PRO 57 2HB PRO 57 12.485 -7.076 -3.779 429 HG2 PRO 57 1HG PRO 57 10.923 -6.320 -6.234 430 HG3 PRO 57 2HG PRO 57 12.205 -7.540 -6.066 431 HD2 PRO 57 1HD PRO 57 9.488 -8.098 -6.135 432 HD3 PRO 57 2HD PRO 57 10.680 -9.149 -5.341 433 H GLY 58 H GLY 58 9.442 -5.765 -1.316 434 HA2 GLY 58 1HA GLY 58 8.668 -3.405 -1.128 435 HA3 GLY 58 2HA GLY 58 7.908 -3.599 -2.704 436 H CYS 59 H CYS 59 7.370 -6.547 -1.229 437 HA CYS 59 HA CYS 59 4.624 -5.939 -1.109 438 HB2 CYS 59 1HB CYS 59 5.844 -8.161 -1.578 439 HB3 CYS 59 2HB CYS 59 5.877 -8.367 0.184 440 HG CYS 59 HG CYS 59 3.973 -9.803 -0.753 441 H GLY 60 H GLY 60 3.181 -5.497 0.468 442 HA2 GLY 60 1HA GLY 60 2.296 -5.275 2.568 443 HA3 GLY 60 2HA GLY 60 3.858 -5.604 3.307 444 H LYS 61 H LYS 61 4.345 -3.231 0.908 445 HA LYS 61 HA LYS 61 3.959 -0.984 2.812 446 HB2 LYS 61 1HB LYS 61 5.944 -1.192 0.508 447 HB3 LYS 61 2HB LYS 61 5.733 0.159 1.634 448 HG2 LYS 61 1HG LYS 61 7.519 -0.843 2.611 449 HG3 LYS 61 2HG LYS 61 6.271 -1.785 3.440 450 HD2 LYS 61 1HD LYS 61 6.513 -3.512 1.567 451 HD3 LYS 61 2HD LYS 61 7.866 -2.567 0.950 452 HE2 LYS 61 1HE LYS 61 9.125 -2.942 2.976 453 HE3 LYS 61 2HE LYS 61 7.749 -3.700 3.762 454 HZ1 LYS 61 3HZ LYS 61 7.941 -5.430 1.953 455 HZ2 LYS 61 1HZ LYS 61 9.213 -5.384 2.983 456 HZ3 LYS 61 2HZ LYS 61 9.371 -4.678 1.520 457 H ILE 62 H ILE 62 2.441 0.445 2.110 458 HA ILE 62 HA ILE 62 1.151 -0.164 -0.520 459 HB ILE 62 HB ILE 62 -0.063 0.546 2.182 460 HG12 ILE 62 1HG1 ILE 62 -1.536 -1.410 1.618 461 HG13 ILE 62 2HG1 ILE 62 -0.557 -1.698 0.182 462 HG21 ILE 62 1HG2 ILE 62 -1.192 1.986 0.617 463 HG22 ILE 62 2HG2 ILE 62 -1.245 0.736 -0.621 464 HG23 ILE 62 3HG2 ILE 62 -2.246 0.580 0.826 465 HD11 ILE 62 3HD1 ILE 62 0.660 -1.760 2.958 466 HD12 ILE 62 1HD1 ILE 62 -0.134 -3.169 2.233 467 HD13 ILE 62 2HD1 ILE 62 1.272 -2.488 1.443 468 H PHE 63 H PHE 63 1.750 1.435 -1.861 469 HA PHE 63 HA PHE 63 2.692 4.000 -0.676 470 HB2 PHE 63 1HB PHE 63 2.979 2.895 -3.473 471 HB3 PHE 63 2HB PHE 63 3.664 4.408 -2.876 472 HD1 PHE 63 2HD PHE 63 3.779 0.690 -2.544 473 HD2 PHE 63 1HD PHE 63 5.725 4.415 -1.555 474 HE1 PHE 63 2HE PHE 63 5.706 -0.559 -1.708 475 HE2 PHE 63 1HE PHE 63 7.706 3.151 -0.761 476 HZ PHE 63 HZ PHE 63 7.716 0.672 -0.824 477 H VAL 64 H VAL 64 1.687 5.990 -1.264 478 HA VAL 64 HA VAL 64 -0.774 5.769 -2.875 479 HB VAL 64 HB VAL 64 -1.394 5.349 -0.538 480 HG11 VAL 64 1HG1 VAL 64 -0.483 8.178 0.046 481 HG12 VAL 64 2HG1 VAL 64 -1.331 7.105 1.159 482 HG13 VAL 64 3HG1 VAL 64 0.310 6.688 0.640 483 HG21 VAL 64 3HG2 VAL 64 -3.015 6.406 -2.026 484 HG22 VAL 64 1HG2 VAL 64 -3.222 6.931 -0.348 485 HG23 VAL 64 2HG2 VAL 64 -2.452 8.007 -1.547 486 H GLU 65 H GLU 65 -1.101 7.502 -4.115 487 HA GLU 65 HA GLU 65 0.863 9.750 -4.026 488 HB2 GLU 65 1HB GLU 65 1.245 8.181 -5.850 489 HB3 GLU 65 2HB GLU 65 -0.458 8.257 -6.329 490 HG2 GLU 65 1HG GLU 65 -0.103 10.682 -6.930 491 HG3 GLU 65 2HG GLU 65 1.583 10.504 -6.513 492 H PHE 66 H PHE 66 -0.083 11.846 -4.481 493 HA PHE 66 HA PHE 66 -3.058 12.022 -4.531 494 HB2 PHE 66 1HB PHE 66 -1.086 13.340 -2.669 495 HB3 PHE 66 2HB PHE 66 -2.587 14.147 -3.060 496 HD1 PHE 66 2HD PHE 66 -1.326 10.857 -1.698 497 HD2 PHE 66 1HD PHE 66 -4.509 13.762 -1.790 498 HE1 PHE 66 2HE PHE 66 -2.524 9.617 0.072 499 HE2 PHE 66 1HE PHE 66 -5.727 12.488 -0.058 500 HZ PHE 66 HZ PHE 66 -4.729 10.414 0.885 501 H THR 67 H THR 67 -3.755 14.338 -5.133 502 HA THR 67 HA THR 67 -2.721 14.885 -7.726 503 HB THR 67 HB THR 67 -4.396 16.783 -7.549 504 HG1 THR 67 1HG THR 67 -5.551 16.970 -5.705 505 HG21 THR 67 3HG2 THR 67 -5.416 14.046 -6.717 506 HG22 THR 67 1HG2 THR 67 -5.013 14.524 -8.378 507 HG23 THR 67 2HG2 THR 67 -6.334 15.346 -7.493 508 H SER 68 H SER 68 -1.345 15.863 -4.786 509 HA SER 68 HA SER 68 0.540 17.560 -5.976 510 HB2 SER 68 1HB SER 68 -1.104 19.263 -6.007 511 HB3 SER 68 2HB SER 68 -1.654 18.912 -4.351 512 HG SER 68 HG SER 68 0.261 20.510 -5.396 513 H VAL 69 H VAL 69 1.929 18.342 -4.385 514 HA VAL 69 HA VAL 69 2.685 16.600 -2.230 515 HB VAL 69 HB VAL 69 3.324 19.580 -2.463 516 HG11 VAL 69 1HG1 VAL 69 4.723 17.289 -1.043 517 HG12 VAL 69 2HG1 VAL 69 5.405 18.905 -1.235 518 HG13 VAL 69 3HG1 VAL 69 3.924 18.684 -0.301 519 HG21 VAL 69 3HG2 VAL 69 4.011 18.674 -4.526 520 HG22 VAL 69 1HG2 VAL 69 5.459 18.746 -3.544 521 HG23 VAL 69 2HG2 VAL 69 4.655 17.195 -3.796 522 H PHE 70 H PHE 70 0.767 19.610 -2.297 523 HA PHE 70 HA PHE 70 0.592 19.941 0.534 524 HB2 PHE 70 1HB PHE 70 -1.165 20.823 -1.811 525 HB3 PHE 70 2HB PHE 70 -1.520 21.302 -0.161 526 HD1 PHE 70 2HD PHE 70 0.904 21.782 -2.979 527 HD2 PHE 70 1HD PHE 70 -0.309 23.041 0.967 528 HE1 PHE 70 2HE PHE 70 2.166 23.874 -3.252 529 HE2 PHE 70 1HE PHE 70 0.963 25.156 0.650 530 HZ PHE 70 HZ PHE 70 2.179 25.591 -1.459 531 H ASP 71 H ASP 71 -1.690 18.428 -1.803 532 HA ASP 71 HA ASP 71 -3.738 17.797 0.062 533 HB2 ASP 71 1HB ASP 71 -2.947 16.742 -2.684 534 HB3 ASP 71 2HB ASP 71 -4.275 16.018 -1.758 535 H CYS 72 H CYS 72 -0.886 16.100 -0.967 536 HA CYS 72 HA CYS 72 -1.417 13.615 0.349 537 HB2 CYS 72 1HB CYS 72 0.401 14.371 -1.508 538 HB3 CYS 72 2HB CYS 72 1.429 14.567 -0.086 539 HG CYS 72 HG CYS 72 1.444 12.176 -1.625 540 H GLN 73 H GLN 73 0.357 16.557 1.250 541 HA GLN 73 HA GLN 73 1.340 15.855 3.773 542 HB2 GLN 73 1HB GLN 73 1.022 18.245 2.191 543 HB3 GLN 73 2HB GLN 73 0.420 18.616 3.800 544 HG2 GLN 73 1HG GLN 73 2.522 18.016 4.801 545 HG3 GLN 73 2HG GLN 73 3.059 17.261 3.280 546 HE21 GLN 73 1HE2 GLN 73 4.094 18.416 1.800 547 HE22 GLN 73 2HE2 GLN 73 4.419 20.142 1.870 548 H LYS 74 H LYS 74 -1.850 17.319 2.978 549 HA LYS 74 HA LYS 74 -2.749 17.451 5.668 550 HB2 LYS 74 1HB LYS 74 -4.606 17.020 3.285 551 HB3 LYS 74 2HB LYS 74 -4.921 17.849 4.806 552 HG2 LYS 74 1HG LYS 74 -2.921 19.441 3.922 553 HG3 LYS 74 2HG LYS 74 -3.454 18.761 2.356 554 HD2 LYS 74 1HD LYS 74 -5.776 19.494 2.898 555 HD3 LYS 74 2HD LYS 74 -5.169 20.263 4.384 556 HE2 LYS 74 1HE LYS 74 -3.719 21.755 3.049 557 HE3 LYS 74 2HE LYS 74 -4.214 20.925 1.563 558 HZ1 LYS 74 3HZ LYS 74 -6.498 21.661 2.050 559 HZ2 LYS 74 1HZ LYS 74 -5.472 22.901 1.740 560 HZ3 LYS 74 2HZ LYS 74 -5.972 22.554 3.299 561 H ALA 75 H ALA 75 -3.189 14.928 3.163 562 HA ALA 75 HA ALA 75 -4.821 13.238 4.785 563 HB1 ALA 75 1HB ALA 75 -4.687 13.164 2.293 564 HB2 ALA 75 2HB ALA 75 -3.043 12.505 2.419 565 HB3 ALA 75 3HB ALA 75 -4.425 11.583 3.047 566 H MET 76 H MET 76 -1.252 13.454 4.418 567 HA MET 76 HA MET 76 -0.706 10.958 5.541 568 HB2 MET 76 1HB MET 76 1.423 11.389 5.424 569 HB3 MET 76 2HB MET 76 0.846 12.633 4.338 570 HG2 MET 76 1HG MET 76 2.476 13.714 5.383 571 HG3 MET 76 2HG MET 76 1.126 14.247 6.345 572 HE1 MET 76 3HE MET 76 4.538 11.349 7.571 573 HE2 MET 76 1HE MET 76 3.446 10.982 6.225 574 HE3 MET 76 2HE MET 76 4.512 12.391 6.130 575 H GLN 77 H GLN 77 -0.429 14.073 7.264 576 HA GLN 77 HA GLN 77 -0.297 12.772 9.824 577 HB2 GLN 77 1HB GLN 77 -0.382 15.049 10.725 578 HB3 GLN 77 2HB GLN 77 0.823 14.857 9.427 579 HG2 GLN 77 1HG GLN 77 -0.836 15.852 7.816 580 HG3 GLN 77 2HG GLN 77 -1.959 15.987 9.165 581 HE21 GLN 77 1HE2 GLN 77 1.606 16.836 8.725 582 HE22 GLN 77 2HE2 GLN 77 1.377 18.429 9.425 583 H GLY 78 H GLY 78 -2.969 13.863 7.858 584 HA2 GLY 78 1HA GLY 78 -4.949 13.982 9.900 585 HA3 GLY 78 2HA GLY 78 -5.230 13.726 8.170 586 H LEU 79 H LEU 79 -3.442 11.254 8.256 587 HA LEU 79 HA LEU 79 -5.423 9.384 9.472 588 HB2 LEU 79 1HB LEU 79 -4.049 9.335 6.791 589 HB3 LEU 79 2HB LEU 79 -4.992 7.989 7.412 590 HG LEU 79 HG LEU 79 -6.139 10.785 6.948 591 HD11 LEU 79 1HD1 LEU 79 -6.500 8.366 5.158 592 HD12 LEU 79 2HD1 LEU 79 -5.387 9.713 4.802 593 HD13 LEU 79 3HD1 LEU 79 -7.136 9.978 4.910 594 HD21 LEU 79 3HD2 LEU 79 -7.441 9.502 8.545 595 HD22 LEU 79 1HD2 LEU 79 -7.423 8.064 7.475 596 HD23 LEU 79 2HD2 LEU 79 -8.317 9.505 7.025 597 H THR 80 H THR 80 -2.083 10.239 9.538 598 HA THR 80 HA THR 80 -0.977 7.685 9.943 599 HB THR 80 HB THR 80 0.199 9.957 9.714 600 HG1 THR 80 1HG THR 80 1.971 9.163 10.568 601 HG21 THR 80 3HG2 THR 80 -0.854 11.020 11.729 602 HG22 THR 80 1HG2 THR 80 0.928 11.038 11.753 603 HG23 THR 80 2HG2 THR 80 0.041 9.853 12.739 604 H GLY 81 H GLY 81 -0.866 6.379 11.726 605 HA2 GLY 81 1HA GLY 81 -1.237 5.554 13.887 606 HA3 GLY 81 2HA GLY 81 -1.999 7.076 14.354 607 H ARG 82 H ARG 82 -3.603 6.168 11.442 608 HA ARG 82 HA ARG 82 -5.838 5.089 12.944 609 HB2 ARG 82 1HB ARG 82 -5.338 5.730 9.997 610 HB3 ARG 82 2HB ARG 82 -6.803 5.057 10.617 611 HG2 ARG 82 1HG ARG 82 -6.726 7.045 12.372 612 HG3 ARG 82 2HG ARG 82 -5.772 7.828 11.095 613 HD2 ARG 82 1HD ARG 82 -7.576 7.286 9.471 614 HD3 ARG 82 2HD ARG 82 -8.485 6.502 10.784 615 HE ARG 82 HE ARG 82 -7.964 9.178 11.531 616 HH11 ARG 82 1HH1 ARG 82 -9.786 7.281 9.136 617 HH12 ARG 82 2HH1 ARG 82 -11.053 8.412 8.948 618 HH21 ARG 82 1HH2 ARG 82 -9.858 10.555 11.562 619 HH22 ARG 82 2HH2 ARG 82 -11.046 10.375 10.274 620 H LYS 83 H LYS 83 -6.985 3.301 11.429 621 HA LYS 83 HA LYS 83 -5.106 1.055 10.955 622 HB2 LYS 83 1HB LYS 83 -7.964 1.028 12.045 623 HB3 LYS 83 2HB LYS 83 -7.038 -0.411 11.601 624 HG2 LYS 83 1HG LYS 83 -5.404 0.022 13.354 625 HG3 LYS 83 2HG LYS 83 -6.148 1.571 13.761 626 HD2 LYS 83 1HD LYS 83 -8.161 0.523 14.572 627 HD3 LYS 83 2HD LYS 83 -7.650 -1.056 13.974 628 HE2 LYS 83 1HE LYS 83 -5.506 -0.162 15.604 629 HE3 LYS 83 2HE LYS 83 -6.958 0.322 16.485 630 HZ1 LYS 83 3HZ LYS 83 -7.718 -1.999 16.277 631 HZ2 LYS 83 1HZ LYS 83 -6.252 -1.911 17.066 632 HZ3 LYS 83 2HZ LYS 83 -6.294 -2.390 15.513 633 H PHE 84 H PHE 84 -5.296 0.359 8.752 634 HA PHE 84 HA PHE 84 -7.672 1.349 7.209 635 HB2 PHE 84 1HB PHE 84 -4.777 0.979 6.460 636 HB3 PHE 84 2HB PHE 84 -5.949 0.680 5.241 637 HD1 PHE 84 1HD PHE 84 -6.577 3.481 7.647 638 HD2 PHE 84 2HD PHE 84 -5.139 2.358 3.728 639 HE1 PHE 84 1HE PHE 84 -6.683 5.828 6.902 640 HE2 PHE 84 2HE PHE 84 -5.120 4.768 3.045 641 HZ PHE 84 HZ PHE 84 -5.888 6.450 4.613 642 H ALA 85 H ALA 85 -6.952 -1.037 8.894 643 HA ALA 85 HA ALA 85 -8.708 -2.903 7.607 644 HB1 ALA 85 1HB ALA 85 -5.778 -3.489 7.466 645 HB2 ALA 85 2HB ALA 85 -6.881 -4.824 7.855 646 HB3 ALA 85 3HB ALA 85 -7.073 -3.916 6.353 647 H ASN 86 H ASN 86 -5.965 -3.500 9.850 648 HA ASN 86 HA ASN 86 -7.792 -2.903 12.103 649 HB2 ASN 86 1HB ASN 86 -7.359 -5.579 11.227 650 HB3 ASN 86 2HB ASN 86 -6.403 -5.398 12.699 651 HD21 ASN 86 1HD2 ASN 86 -9.637 -4.557 11.333 652 HD22 ASN 86 2HD2 ASN 86 -10.525 -4.796 12.798 653 H ARG 87 H ARG 87 -4.600 -2.878 10.886 654 HA ARG 87 HA ARG 87 -3.431 -2.543 13.612 655 HB2 ARG 87 1HB ARG 87 -2.305 -3.475 10.954 656 HB3 ARG 87 2HB ARG 87 -1.376 -3.406 12.474 657 HG2 ARG 87 1HG ARG 87 -2.865 -5.033 13.526 658 HG3 ARG 87 2HG ARG 87 -3.957 -5.001 12.170 659 HD2 ARG 87 1HD ARG 87 -2.856 -6.986 11.813 660 HD3 ARG 87 2HD ARG 87 -2.085 -5.859 10.708 661 HE ARG 87 HE ARG 87 -0.997 -6.522 13.402 662 HH11 ARG 87 1HH1 ARG 87 -0.440 -6.416 9.827 663 HH12 ARG 87 2HH1 ARG 87 1.237 -6.778 10.006 664 HH21 ARG 87 1HH2 ARG 87 1.208 -7.268 13.483 665 HH22 ARG 87 2HH2 ARG 87 2.048 -7.565 12.003 666 H VAL 88 H VAL 88 -1.526 -1.193 13.773 667 HA VAL 88 HA VAL 88 -2.403 1.378 13.125 668 HB VAL 88 HB VAL 88 -1.049 0.784 15.099 669 HG11 VAL 88 1HG1 VAL 88 0.778 -0.440 13.933 670 HG12 VAL 88 2HG1 VAL 88 1.391 1.131 13.351 671 HG13 VAL 88 3HG1 VAL 88 1.337 0.787 15.086 672 HG21 VAL 88 3HG2 VAL 88 -1.589 3.107 14.459 673 HG22 VAL 88 1HG2 VAL 88 -0.071 2.960 15.339 674 HG23 VAL 88 2HG2 VAL 88 -0.036 3.205 13.581 675 H VAL 89 H VAL 89 -2.178 2.752 11.514 676 HA VAL 89 HA VAL 89 -0.317 2.164 9.291 677 HB VAL 89 HB VAL 89 -2.815 3.899 9.504 678 HG11 VAL 89 1HG1 VAL 89 -1.290 4.822 7.805 679 HG12 VAL 89 2HG1 VAL 89 -1.080 3.208 7.086 680 HG13 VAL 89 3HG1 VAL 89 -2.669 4.035 7.044 681 HG21 VAL 89 3HG2 VAL 89 -2.253 1.196 8.215 682 HG22 VAL 89 1HG2 VAL 89 -3.332 1.524 9.580 683 HG23 VAL 89 2HG2 VAL 89 -3.747 2.164 7.994 684 H VAL 90 H VAL 90 1.515 2.884 10.235 685 HA VAL 90 HA VAL 90 1.829 5.765 10.914 686 HB VAL 90 HB VAL 90 4.341 5.059 10.519 687 HG11 VAL 90 1HG1 VAL 90 2.708 4.153 12.912 688 HG12 VAL 90 2HG1 VAL 90 4.473 4.371 12.899 689 HG13 VAL 90 3HG1 VAL 90 3.412 5.766 12.658 690 HG21 VAL 90 3HG2 VAL 90 4.894 2.771 11.005 691 HG22 VAL 90 1HG2 VAL 90 3.208 2.317 11.262 692 HG23 VAL 90 2HG2 VAL 90 3.785 2.739 9.631 693 H THR 91 H THR 91 2.542 7.322 9.441 694 HA THR 91 HA THR 91 2.673 6.478 6.610 695 HB THR 91 HB THR 91 2.401 8.975 6.185 696 HG1 THR 91 1HG THR 91 3.198 9.559 8.420 697 HG21 THR 91 3HG2 THR 91 0.256 7.822 8.052 698 HG22 THR 91 1HG2 THR 91 0.352 7.525 6.320 699 HG23 THR 91 2HG2 THR 91 0.071 9.157 6.907 700 H LYS 92 H LYS 92 4.395 7.491 5.279 701 HA LYS 92 HA LYS 92 6.375 9.144 6.597 702 HB2 LYS 92 1HB LYS 92 7.181 6.640 5.026 703 HB3 LYS 92 2HB LYS 92 8.184 8.076 5.144 704 HG2 LYS 92 1HG LYS 92 7.785 7.691 7.781 705 HG3 LYS 92 2HG LYS 92 7.602 6.032 7.212 706 HD2 LYS 92 1HD LYS 92 9.817 6.643 5.814 707 HD3 LYS 92 2HD LYS 92 9.944 7.947 6.997 708 HE2 LYS 92 1HE LYS 92 9.791 6.128 8.797 709 HE3 LYS 92 2HE LYS 92 9.926 4.939 7.489 710 HZ1 LYS 92 3HZ LYS 92 12.027 5.350 8.415 711 HZ2 LYS 92 1HZ LYS 92 11.872 6.994 8.246 712 HZ3 LYS 92 2HZ LYS 92 12.043 6.048 6.897 713 H TYR 93 H TYR 93 7.305 10.516 5.048 714 HA TYR 93 HA TYR 93 5.958 10.849 2.447 715 HB2 TYR 93 1HB TYR 93 8.409 12.147 3.678 716 HB3 TYR 93 2HB TYR 93 7.730 12.584 2.116 717 HD1 TYR 93 1HD TYR 93 5.069 13.044 2.194 718 HD2 TYR 93 2HD TYR 93 7.750 13.446 5.554 719 HE1 TYR 93 1HE TYR 93 3.554 14.715 3.195 720 HE2 TYR 93 2HE TYR 93 6.176 15.040 6.629 721 HH TYR 93 HH TYR 93 4.001 16.012 6.524 722 H CYS 94 H CYS 94 7.068 10.605 0.452 723 HA CYS 94 HA CYS 94 9.494 8.894 0.461 724 HB2 CYS 94 1HB CYS 94 7.057 8.737 -1.371 725 HB3 CYS 94 2HB CYS 94 8.519 7.795 -1.575 726 HG CYS 94 HG CYS 94 8.504 6.594 0.699 727 H ASP 95 H ASP 95 9.986 8.929 -2.100 728 HA ASP 95 HA ASP 95 9.811 11.683 -3.174 729 HB2 ASP 95 1HB ASP 95 11.980 9.598 -3.580 730 HB3 ASP 95 2HB ASP 95 11.689 10.915 -4.724 731 HA PRO 96 HA PRO 96 7.149 9.470 -5.935 732 HB2 PRO 96 1HB PRO 96 7.022 11.153 -8.086 733 HB3 PRO 96 2HB PRO 96 6.315 11.582 -6.529 734 HG2 PRO 96 1HG PRO 96 9.030 12.386 -7.586 735 HG3 PRO 96 2HG PRO 96 7.776 13.421 -6.854 736 HD2 PRO 96 1HD PRO 96 9.822 12.496 -5.364 737 HD3 PRO 96 2HD PRO 96 8.151 12.526 -4.705 738 H ASP 97 H ASP 97 10.332 10.297 -6.958 739 HA ASP 97 HA ASP 97 10.731 9.483 -9.474 740 HB2 ASP 97 1HB ASP 97 12.394 10.060 -7.357 741 HB3 ASP 97 2HB ASP 97 12.704 8.322 -7.550 742 H SER 98 H SER 98 10.529 7.271 -6.709 743 HA SER 98 HA SER 98 11.140 4.956 -8.307 744 HB2 SER 98 1HB SER 98 10.833 3.926 -5.926 745 HB3 SER 98 2HB SER 98 12.210 4.961 -6.291 746 HG SER 98 HG SER 98 11.377 5.650 -4.415 747 H TYR 99 H TYR 99 8.270 6.525 -7.056 748 HA TYR 99 HA TYR 99 6.351 4.245 -7.132 749 HB2 TYR 99 1HB TYR 99 6.151 6.194 -5.578 750 HB3 TYR 99 2HB TYR 99 6.002 7.295 -6.949 751 HD1 TYR 99 2HD TYR 99 4.388 4.538 -5.084 752 HD2 TYR 99 1HD TYR 99 3.790 7.618 -8.091 753 HE1 TYR 99 2HE TYR 99 1.947 4.056 -5.148 754 HE2 TYR 99 1HE TYR 99 1.542 6.927 -8.375 755 HH TYR 99 HH TYR 99 -0.231 5.633 -6.046 756 H HIS 100 H HIS 100 7.555 6.872 -9.273 757 HA HIS 100 HA HIS 100 5.707 6.373 -11.418 758 HB2 HIS 100 1HB HIS 100 8.650 7.138 -11.626 759 HB3 HIS 100 2HB HIS 100 7.383 7.390 -12.822 760 HD1 HIS 100 1HD HIS 100 9.344 9.672 -11.298 761 HD2 HIS 100 2HD HIS 100 5.189 8.850 -10.817 762 HE1 HIS 100 1HE HIS 100 8.288 11.764 -10.408 763 H ARG 101 H ARG 101 7.979 4.252 -9.996 764 HA ARG 101 HA ARG 101 8.281 2.599 -12.408 765 HB2 ARG 101 1HB ARG 101 10.510 3.456 -10.490 766 HB3 ARG 101 2HB ARG 101 10.646 2.167 -11.692 767 HG2 ARG 101 1HG ARG 101 10.054 3.903 -13.478 768 HG3 ARG 101 2HG ARG 101 10.313 5.143 -12.228 769 HD2 ARG 101 1HD ARG 101 12.578 4.294 -11.821 770 HD3 ARG 101 2HD ARG 101 12.306 2.964 -12.976 771 HE ARG 101 HE ARG 101 11.997 5.630 -14.093 772 HH11 ARG 101 1HH1 ARG 101 14.228 2.925 -13.523 773 HH12 ARG 101 2HH1 ARG 101 15.536 3.697 -14.406 774 HH21 ARG 101 1HH2 ARG 101 13.761 6.535 -15.334 775 HH22 ARG 101 2HH2 ARG 101 15.054 5.465 -15.821 776 H ARG 102 H ARG 102 9.739 0.599 -11.103 777 HA ARG 102 HA ARG 102 7.800 -0.330 -9.065 778 HB2 ARG 102 1HB ARG 102 7.845 -1.521 -11.234 779 HB3 ARG 102 2HB ARG 102 9.499 -2.005 -10.936 780 HG2 ARG 102 1HG ARG 102 8.865 -3.730 -9.679 781 HG3 ARG 102 2HG ARG 102 7.942 -2.718 -8.615 782 HD2 ARG 102 1HD ARG 102 6.089 -2.694 -10.262 783 HD3 ARG 102 2HD ARG 102 6.962 -3.887 -11.235 784 HE ARG 102 HE ARG 102 7.051 -5.174 -8.943 785 HH11 ARG 102 1HH1 ARG 102 4.202 -3.383 -9.970 786 HH12 ARG 102 2HH1 ARG 102 3.063 -4.573 -9.497 787 HH21 ARG 102 1HH2 ARG 102 5.656 -6.607 -8.057 788 HH22 ARG 102 2HH2 ARG 102 3.921 -6.419 -8.159 789 H ASP 103 H ASP 103 10.123 1.443 -8.489 790 HA ASP 103 HA ASP 103 12.175 -0.305 -7.295 791 HB2 ASP 103 1HB ASP 103 12.938 1.727 -8.385 792 HB3 ASP 103 2HB ASP 103 11.898 2.714 -7.382 793 H PHE 104 H PHE 104 11.333 -1.379 -5.529 794 HA PHE 104 HA PHE 104 10.427 0.228 -3.240 795 HB2 PHE 104 1HB PHE 104 9.016 -2.320 -3.952 796 HB3 PHE 104 2HB PHE 104 8.478 -1.075 -2.832 797 HD1 PHE 104 2HD PHE 104 8.202 1.366 -4.318 798 HD2 PHE 104 1HD PHE 104 7.644 -2.668 -5.735 799 HE1 PHE 104 2HE PHE 104 6.927 2.219 -6.252 800 HE2 PHE 104 1HE PHE 104 6.295 -1.812 -7.597 801 HZ PHE 104 HZ PHE 104 5.827 0.579 -7.856 802 H TRP 105 H TRP 105 10.508 -1.256 -1.182 803 HA TRP 105 HA TRP 105 12.005 -3.711 -1.442 804 HB2 TRP 105 1HB TRP 105 13.757 -1.901 -1.285 805 HB3 TRP 105 2HB TRP 105 13.072 -1.428 0.286 806 HD1 TRP 105 HD TRP 105 14.029 -4.934 -1.121 807 HE1 TRP 105 1HE TRP 105 15.907 -5.916 0.214 808 HE3 TRP 105 3HE TRP 105 14.560 -1.184 2.368 809 HZ2 TRP 105 2HZ TRP 105 17.614 -5.138 2.437 810 HZ3 TRP 105 3HZ TRP 105 16.405 -1.298 4.024 811 HH2 TRP 105 HH TRP 105 17.973 -3.238 4.033 Start of MODEL 11 1 H1 GLY 1 H GLY 1 12.208 11.964 6.026 2 HA2 GLY 1 1HA GLY 1 14.551 12.744 6.328 3 HA3 GLY 1 2HA GLY 1 15.044 11.153 5.735 4 H GLY 2 H GLY 2 14.120 14.389 4.774 5 HA2 GLY 2 1HA GLY 2 15.019 14.879 2.521 6 HA3 GLY 2 2HA GLY 2 14.022 13.545 1.925 7 H HIS 3 H HIS 3 13.184 15.399 0.571 8 HA HIS 3 HA HIS 3 11.563 17.480 1.813 9 HB2 HIS 3 1HB HIS 3 10.918 17.991 -0.492 10 HB3 HIS 3 2HB HIS 3 12.646 17.969 -0.239 11 HD1 HIS 3 1HD HIS 3 14.086 16.230 -1.841 12 HD2 HIS 3 2HD HIS 3 9.878 16.331 -2.258 13 HE1 HIS 3 1HE HIS 3 13.547 15.107 -3.995 14 HA PRO 4 HA PRO 4 7.714 15.089 1.919 15 HB2 PRO 4 1HB PRO 4 5.818 16.980 1.421 16 HB3 PRO 4 2HB PRO 4 6.715 16.929 2.961 17 HG2 PRO 4 1HG PRO 4 7.303 18.652 0.551 18 HG3 PRO 4 2HG PRO 4 7.177 19.156 2.267 19 HD2 PRO 4 1HD PRO 4 9.528 18.637 0.999 20 HD3 PRO 4 2HD PRO 4 9.320 18.269 2.731 21 H THR 5 H THR 5 6.332 14.106 0.295 22 HA THR 5 HA THR 5 6.722 15.069 -2.483 23 HB THR 5 HB THR 5 6.910 12.668 -3.145 24 HG1 THR 5 1HG THR 5 7.590 11.331 -1.200 25 HG21 THR 5 3HG2 THR 5 9.058 13.423 -1.110 26 HG22 THR 5 1HG2 THR 5 8.969 14.005 -2.790 27 HG23 THR 5 2HG2 THR 5 9.188 12.280 -2.459 28 H GLU 6 H GLU 6 5.068 13.905 -3.902 29 HA GLU 6 HA GLU 6 2.398 14.359 -2.869 30 HB2 GLU 6 1HB GLU 6 1.846 13.499 -5.257 31 HB3 GLU 6 2HB GLU 6 2.609 15.067 -5.043 32 HG2 GLU 6 1HG GLU 6 4.807 14.119 -5.595 33 HG3 GLU 6 2HG GLU 6 4.069 12.521 -5.852 34 H VAL 7 H VAL 7 4.518 11.644 -2.575 35 HA VAL 7 HA VAL 7 2.210 9.814 -2.569 36 HB VAL 7 HB VAL 7 3.578 8.095 -3.225 37 HG11 VAL 7 1HG1 VAL 7 4.382 8.715 -5.396 38 HG12 VAL 7 2HG1 VAL 7 3.013 9.765 -5.047 39 HG13 VAL 7 3HG1 VAL 7 4.657 10.390 -4.878 40 HG21 VAL 7 3HG2 VAL 7 5.944 8.170 -3.540 41 HG22 VAL 7 1HG2 VAL 7 5.957 9.732 -2.637 42 HG23 VAL 7 2HG2 VAL 7 5.301 8.225 -1.884 43 H LEU 8 H LEU 8 2.124 8.245 -0.913 44 HA LEU 8 HA LEU 8 3.781 8.786 1.488 45 HB2 LEU 8 1HB LEU 8 1.293 9.843 1.235 46 HB3 LEU 8 2HB LEU 8 0.859 8.253 1.841 47 HG LEU 8 HG LEU 8 2.429 8.690 3.802 48 HD11 LEU 8 1HD1 LEU 8 3.779 10.521 2.737 49 HD12 LEU 8 2HD1 LEU 8 3.093 10.967 4.299 50 HD13 LEU 8 3HD1 LEU 8 2.358 11.549 2.786 51 HD21 LEU 8 3HD2 LEU 8 0.157 10.695 3.375 52 HD22 LEU 8 1HD2 LEU 8 0.829 10.176 4.942 53 HD23 LEU 8 2HD2 LEU 8 -0.034 9.015 3.930 54 H CYS 9 H CYS 9 4.529 6.992 2.398 55 HA CYS 9 HA CYS 9 3.733 4.303 1.377 56 HB2 CYS 9 1HB CYS 9 6.141 4.739 1.686 57 HB3 CYS 9 2HB CYS 9 5.858 5.156 3.389 58 HG CYS 9 HG CYS 9 6.970 2.762 3.214 59 H LEU 10 H LEU 10 2.208 3.133 2.483 60 HA LEU 10 HA LEU 10 1.683 3.754 5.343 61 HB2 LEU 10 1HB LEU 10 -0.382 2.300 3.812 62 HB3 LEU 10 2HB LEU 10 -0.498 3.475 5.098 63 HG LEU 10 HG LEU 10 0.311 5.047 2.895 64 HD11 LEU 10 1HD1 LEU 10 -1.582 2.863 1.941 65 HD12 LEU 10 2HD1 LEU 10 0.051 3.232 1.333 66 HD13 LEU 10 3HD1 LEU 10 -1.273 4.373 1.092 67 HD21 LEU 10 3HD2 LEU 10 -1.354 5.582 4.575 68 HD22 LEU 10 1HD2 LEU 10 -2.477 4.411 3.840 69 HD23 LEU 10 2HD2 LEU 10 -1.957 5.852 2.925 70 H MET 11 H MET 11 2.184 2.108 6.666 71 HA MET 11 HA MET 11 2.465 -0.668 5.558 72 HB2 MET 11 1HB MET 11 3.444 0.341 8.249 73 HB3 MET 11 2HB MET 11 3.725 -1.217 7.527 74 HG2 MET 11 1HG MET 11 5.601 -0.495 6.623 75 HG3 MET 11 2HG MET 11 4.745 0.669 5.642 76 HE1 MET 11 3HE MET 11 5.430 4.072 7.367 77 HE2 MET 11 1HE MET 11 4.873 3.194 5.924 78 HE3 MET 11 2HE MET 11 3.889 3.177 7.402 79 H ASN 12 H ASN 12 1.413 -2.355 6.926 80 HA ASN 12 HA ASN 12 0.012 -3.293 8.334 81 HB2 ASN 12 1HB ASN 12 -0.660 -0.664 9.591 82 HB3 ASN 12 2HB ASN 12 -0.865 -2.266 10.279 83 HD21 ASN 12 1HD2 ASN 12 0.388 -0.105 11.546 84 HD22 ASN 12 2HD2 ASN 12 2.091 -0.504 11.835 85 H MET 13 H MET 13 -0.907 -1.930 5.763 86 HA MET 13 HA MET 13 -3.841 -1.764 6.197 87 HB2 MET 13 1HB MET 13 -1.970 -0.940 4.122 88 HB3 MET 13 2HB MET 13 -3.178 -2.020 3.430 89 HG2 MET 13 1HG MET 13 -4.525 -0.297 3.230 90 HG3 MET 13 2HG MET 13 -4.642 -0.205 4.978 91 HE1 MET 13 3HE MET 13 -2.906 0.780 6.395 92 HE2 MET 13 1HE MET 13 -1.316 0.879 5.617 93 HE3 MET 13 2HE MET 13 -2.174 2.370 6.088 94 H VAL 14 H VAL 14 -1.701 -3.615 4.009 95 HA VAL 14 HA VAL 14 -3.446 -5.986 4.303 96 HB VAL 14 HB VAL 14 -2.517 -6.546 2.034 97 HG11 VAL 14 1HG1 VAL 14 -3.889 -4.932 0.825 98 HG12 VAL 14 2HG1 VAL 14 -4.685 -5.432 2.316 99 HG13 VAL 14 3HG1 VAL 14 -3.912 -3.841 2.230 100 HG21 VAL 14 3HG2 VAL 14 -0.405 -5.367 2.053 101 HG22 VAL 14 1HG2 VAL 14 -1.412 -4.800 0.714 102 HG23 VAL 14 2HG2 VAL 14 -1.237 -3.800 2.164 103 H LEU 15 H LEU 15 -2.222 -8.116 3.767 104 HA LEU 15 HA LEU 15 0.431 -8.162 5.090 105 HB2 LEU 15 1HB LEU 15 -1.688 -10.334 4.725 106 HB3 LEU 15 2HB LEU 15 -0.117 -10.567 5.455 107 HG LEU 15 HG LEU 15 -1.649 -10.459 7.175 108 HD11 LEU 15 1HD1 LEU 15 -0.348 -7.708 7.158 109 HD12 LEU 15 2HD1 LEU 15 0.472 -9.233 7.613 110 HD13 LEU 15 3HD1 LEU 15 -0.873 -8.605 8.572 111 HD21 LEU 15 3HD2 LEU 15 -2.699 -7.733 6.439 112 HD22 LEU 15 1HD2 LEU 15 -3.283 -8.861 7.664 113 HD23 LEU 15 2HD2 LEU 15 -3.459 -9.261 5.944 114 HA PRO 16 HA PRO 16 2.224 -8.978 1.128 115 HB2 PRO 16 1HB PRO 16 4.388 -10.573 1.786 116 HB3 PRO 16 2HB PRO 16 4.250 -8.858 2.276 117 HG2 PRO 16 1HG PRO 16 3.459 -11.321 3.877 118 HG3 PRO 16 2HG PRO 16 4.542 -9.969 4.376 119 HD2 PRO 16 1HD PRO 16 1.946 -9.939 5.084 120 HD3 PRO 16 2HD PRO 16 2.738 -8.444 4.511 121 H GLU 17 H GLU 17 0.091 -11.024 1.945 122 HA GLU 17 HA GLU 17 1.034 -13.463 0.582 123 HB2 GLU 17 1HB GLU 17 0.713 -14.899 2.514 124 HB3 GLU 17 2HB GLU 17 2.007 -13.739 2.709 125 HG2 GLU 17 1HG GLU 17 0.445 -12.333 4.140 126 HG3 GLU 17 2HG GLU 17 -0.690 -13.674 4.093 127 H GLU 18 H GLU 18 -1.452 -11.270 1.111 128 HA GLU 18 HA GLU 18 -3.593 -13.322 0.561 129 HB2 GLU 18 1HB GLU 18 -3.488 -10.653 1.972 130 HB3 GLU 18 2HB GLU 18 -5.016 -11.417 1.508 131 HG2 GLU 18 1HG GLU 18 -2.963 -12.855 3.222 132 HG3 GLU 18 2HG GLU 18 -4.173 -11.772 3.910 133 H LEU 19 H LEU 19 -1.733 -11.081 -0.938 134 HA LEU 19 HA LEU 19 -3.612 -9.450 -2.274 135 HB2 LEU 19 1HB LEU 19 -0.759 -10.213 -3.073 136 HB3 LEU 19 2HB LEU 19 -1.663 -8.848 -3.733 137 HG LEU 19 HG LEU 19 -0.079 -8.074 -2.205 138 HD11 LEU 19 1HD1 LEU 19 -2.716 -7.986 -0.709 139 HD12 LEU 19 2HD1 LEU 19 -2.365 -7.010 -2.135 140 HD13 LEU 19 3HD1 LEU 19 -1.416 -6.783 -0.651 141 HD21 LEU 19 3HD2 LEU 19 -0.984 -9.752 -0.020 142 HD22 LEU 19 1HD2 LEU 19 0.348 -8.590 -0.081 143 HD23 LEU 19 2HD2 LEU 19 0.420 -10.066 -1.069 144 H LEU 20 H LEU 20 -3.082 -12.550 -2.738 145 HA LEU 20 HA LEU 20 -2.799 -12.923 -5.558 146 HB2 LEU 20 1HB LEU 20 -3.705 -14.898 -3.457 147 HB3 LEU 20 2HB LEU 20 -3.194 -15.258 -5.101 148 HG LEU 20 HG LEU 20 -1.432 -15.824 -3.683 149 HD11 LEU 20 1HD1 LEU 20 -0.548 -13.237 -5.006 150 HD12 LEU 20 2HD1 LEU 20 -0.909 -14.736 -5.883 151 HD13 LEU 20 3HD1 LEU 20 0.404 -14.717 -4.709 152 HD21 LEU 20 3HD2 LEU 20 -2.005 -14.240 -1.753 153 HD22 LEU 20 1HD2 LEU 20 -1.025 -13.024 -2.609 154 HD23 LEU 20 2HD2 LEU 20 -0.298 -14.548 -2.080 155 H ASP 21 H ASP 21 -5.663 -12.550 -3.522 156 HA ASP 21 HA ASP 21 -7.446 -13.532 -5.648 157 HB2 ASP 21 1HB ASP 21 -7.813 -12.620 -2.814 158 HB3 ASP 21 2HB ASP 21 -9.145 -12.312 -3.939 159 H ASP 22 H ASP 22 -8.356 -12.340 -7.156 160 HA ASP 22 HA ASP 22 -7.310 -9.679 -7.632 161 HB2 ASP 22 1HB ASP 22 -8.978 -11.590 -9.277 162 HB3 ASP 22 2HB ASP 22 -8.598 -9.952 -9.816 163 H GLU 23 H GLU 23 -10.240 -10.880 -6.289 164 HA GLU 23 HA GLU 23 -11.794 -8.431 -6.892 165 HB2 GLU 23 1HB GLU 23 -12.448 -10.970 -5.340 166 HB3 GLU 23 2HB GLU 23 -13.543 -9.585 -5.528 167 HG2 GLU 23 1HG GLU 23 -13.412 -9.831 -8.003 168 HG3 GLU 23 2HG GLU 23 -12.407 -11.270 -7.807 169 H GLU 24 H GLU 24 -10.859 -10.231 -3.874 170 HA GLU 24 HA GLU 24 -11.563 -8.212 -2.151 171 HB2 GLU 24 1HB GLU 24 -10.908 -10.710 -1.802 172 HB3 GLU 24 2HB GLU 24 -9.268 -10.101 -1.545 173 HG2 GLU 24 1HG GLU 24 -10.060 -8.722 0.339 174 HG3 GLU 24 2HG GLU 24 -11.739 -9.089 -0.078 175 H TYR 25 H TYR 25 -8.371 -8.626 -3.754 176 HA TYR 25 HA TYR 25 -6.902 -6.593 -2.539 177 HB2 TYR 25 1HB TYR 25 -5.998 -8.168 -4.122 178 HB3 TYR 25 2HB TYR 25 -7.130 -7.669 -5.363 179 HD1 TYR 25 2HD TYR 25 -6.856 -5.490 -6.530 180 HD2 TYR 25 1HD TYR 25 -3.887 -7.089 -3.869 181 HE1 TYR 25 2HE TYR 25 -5.145 -4.144 -7.684 182 HE2 TYR 25 1HE TYR 25 -2.124 -5.763 -5.034 183 HH TYR 25 HH TYR 25 -2.890 -3.867 -7.970 184 H GLU 26 H GLU 26 -9.586 -6.273 -4.947 185 HA GLU 26 HA GLU 26 -8.767 -3.533 -5.567 186 HB2 GLU 26 1HB GLU 26 -10.340 -5.693 -6.848 187 HB3 GLU 26 2HB GLU 26 -11.212 -4.166 -6.811 188 HG2 GLU 26 1HG GLU 26 -9.004 -3.087 -7.662 189 HG3 GLU 26 2HG GLU 26 -8.425 -4.725 -7.920 190 H GLU 27 H GLU 27 -11.280 -5.278 -3.838 191 HA GLU 27 HA GLU 27 -12.929 -3.073 -3.094 192 HB2 GLU 27 1HB GLU 27 -12.096 -5.304 -1.195 193 HB3 GLU 27 2HB GLU 27 -13.524 -4.278 -1.095 194 HG2 GLU 27 1HG GLU 27 -12.944 -6.477 -3.109 195 HG3 GLU 27 2HG GLU 27 -14.199 -6.428 -1.875 196 H ILE 28 H ILE 28 -9.864 -4.241 -1.652 197 HA ILE 28 HA ILE 28 -9.687 -2.200 0.326 198 HB ILE 28 HB ILE 28 -7.497 -3.909 -0.913 199 HG12 ILE 28 1HG1 ILE 28 -8.859 -4.427 1.764 200 HG13 ILE 28 2HG1 ILE 28 -9.560 -5.073 0.299 201 HG21 ILE 28 1HG2 ILE 28 -6.414 -2.156 0.289 202 HG22 ILE 28 2HG2 ILE 28 -7.636 -2.196 1.587 203 HG23 ILE 28 3HG2 ILE 28 -6.433 -3.509 1.420 204 HD11 ILE 28 3HD1 ILE 28 -6.795 -5.724 1.359 205 HD12 ILE 28 1HD1 ILE 28 -8.210 -6.783 1.279 206 HD13 ILE 28 2HD1 ILE 28 -7.422 -6.256 -0.217 207 H VAL 29 H VAL 29 -9.262 -1.900 -3.076 208 HA VAL 29 HA VAL 29 -7.510 0.493 -2.830 209 HB VAL 29 HB VAL 29 -8.740 -0.945 -5.200 210 HG11 VAL 29 1HG1 VAL 29 -8.544 1.453 -5.760 211 HG12 VAL 29 2HG1 VAL 29 -6.826 1.414 -5.290 212 HG13 VAL 29 3HG1 VAL 29 -7.401 0.469 -6.674 213 HG21 VAL 29 3HG2 VAL 29 -6.764 -2.065 -4.069 214 HG22 VAL 29 1HG2 VAL 29 -6.448 -1.606 -5.732 215 HG23 VAL 29 2HG2 VAL 29 -5.809 -0.617 -4.389 216 H GLU 30 H GLU 30 -10.903 -0.485 -3.647 217 HA GLU 30 HA GLU 30 -11.708 2.205 -4.227 218 HB2 GLU 30 1HB GLU 30 -13.304 -0.319 -3.688 219 HB3 GLU 30 2HB GLU 30 -14.014 1.199 -4.230 220 HG2 GLU 30 1HG GLU 30 -11.788 0.266 -5.961 221 HG3 GLU 30 2HG GLU 30 -13.122 -0.858 -5.854 222 H ASP 31 H ASP 31 -12.037 0.133 -1.383 223 HA ASP 31 HA ASP 31 -13.715 1.815 0.164 224 HB2 ASP 31 1HB ASP 31 -12.737 -0.617 0.674 225 HB3 ASP 31 2HB ASP 31 -11.426 0.242 1.387 226 H VAL 32 H VAL 32 -10.261 1.770 -0.289 227 HA VAL 32 HA VAL 32 -9.770 3.685 1.914 228 HB VAL 32 HB VAL 32 -7.848 2.186 0.086 229 HG11 VAL 32 1HG1 VAL 32 -6.736 4.106 1.089 230 HG12 VAL 32 2HG1 VAL 32 -7.380 3.686 2.683 231 HG13 VAL 32 3HG1 VAL 32 -6.195 2.624 1.889 232 HG21 VAL 32 3HG2 VAL 32 -9.145 0.595 1.477 233 HG22 VAL 32 1HG2 VAL 32 -7.484 0.681 2.046 234 HG23 VAL 32 2HG2 VAL 32 -8.763 1.538 2.929 235 H ARG 33 H ARG 33 -10.001 3.658 -1.597 236 HA ARG 33 HA ARG 33 -8.861 6.276 -1.996 237 HB2 ARG 33 1HB ARG 33 -9.387 4.718 -3.871 238 HB3 ARG 33 2HB ARG 33 -11.120 4.892 -3.538 239 HG2 ARG 33 1HG ARG 33 -11.037 7.265 -4.138 240 HG3 ARG 33 2HG ARG 33 -9.270 7.215 -4.204 241 HD2 ARG 33 1HD ARG 33 -9.892 7.212 -6.433 242 HD3 ARG 33 2HD ARG 33 -9.504 5.526 -6.114 243 HE ARG 33 HE ARG 33 -12.091 6.757 -6.738 244 HH11 ARG 33 1HH1 ARG 33 -10.407 3.698 -5.895 245 HH12 ARG 33 2HH1 ARG 33 -11.712 2.763 -6.578 246 HH21 ARG 33 1HH2 ARG 33 -13.886 5.312 -7.375 247 HH22 ARG 33 2HH2 ARG 33 -13.557 3.616 -7.312 248 H ASP 34 H ASP 34 -12.157 5.096 -1.023 249 HA ASP 34 HA ASP 34 -13.247 7.715 -0.985 250 HB2 ASP 34 1HB ASP 34 -14.770 5.844 -1.016 251 HB3 ASP 34 2HB ASP 34 -14.153 5.248 0.534 252 H GLU 35 H GLU 35 -11.687 5.816 1.643 253 HA GLU 35 HA GLU 35 -12.307 7.795 3.622 254 HB2 GLU 35 1HB GLU 35 -11.134 6.600 5.122 255 HB3 GLU 35 2HB GLU 35 -11.579 5.358 3.970 256 HG2 GLU 35 1HG GLU 35 -9.201 5.508 3.071 257 HG3 GLU 35 2HG GLU 35 -8.853 6.647 4.367 258 H CYS 36 H CYS 36 -9.401 7.321 1.617 259 HA CYS 36 HA CYS 36 -7.927 9.461 2.806 260 HB2 CYS 36 1HB CYS 36 -7.111 7.377 1.641 261 HB3 CYS 36 2HB CYS 36 -7.558 8.118 0.108 262 HG CYS 36 HG CYS 36 -5.027 8.241 0.377 263 H SER 37 H SER 37 -10.229 9.335 0.120 264 HA SER 37 HA SER 37 -9.856 11.807 -1.133 265 HB2 SER 37 1HB SER 37 -11.303 10.090 -1.986 266 HB3 SER 37 2HB SER 37 -12.300 10.116 -0.541 267 HG SER 37 HG SER 37 -12.117 12.083 -2.552 268 H LYS 38 H LYS 38 -10.866 11.314 2.183 269 HA LYS 38 HA LYS 38 -12.488 13.668 2.485 270 HB2 LYS 38 1HB LYS 38 -10.873 11.930 4.390 271 HB3 LYS 38 2HB LYS 38 -11.789 13.335 4.958 272 HG2 LYS 38 1HG LYS 38 -13.828 12.484 4.089 273 HG3 LYS 38 2HG LYS 38 -13.054 11.113 3.292 274 HD2 LYS 38 1HD LYS 38 -12.621 9.954 5.247 275 HD3 LYS 38 2HD LYS 38 -12.690 11.386 6.281 276 HE2 LYS 38 1HE LYS 38 -15.133 10.258 4.839 277 HE3 LYS 38 2HE LYS 38 -14.645 9.751 6.454 278 HZ1 LYS 38 3HZ LYS 38 -14.722 12.199 7.020 279 HZ2 LYS 38 1HZ LYS 38 -16.166 11.429 6.782 280 HZ3 LYS 38 2HZ LYS 38 -15.550 12.411 5.611 281 H TYR 39 H TYR 39 -9.159 13.455 1.894 282 HA TYR 39 HA TYR 39 -8.611 16.051 3.273 283 HB2 TYR 39 1HB TYR 39 -6.745 13.783 2.511 284 HB3 TYR 39 2HB TYR 39 -6.241 15.294 3.265 285 HD1 TYR 39 1HD TYR 39 -8.185 12.169 3.751 286 HD2 TYR 39 2HD TYR 39 -6.807 15.823 5.597 287 HE1 TYR 39 1HE TYR 39 -9.137 11.438 5.899 288 HE2 TYR 39 2HE TYR 39 -7.698 15.054 7.773 289 HH TYR 39 HH TYR 39 -9.488 13.591 8.517 290 H GLY 40 H GLY 40 -8.804 14.688 0.100 291 HA2 GLY 40 1HA GLY 40 -8.548 16.708 -1.600 292 HA3 GLY 40 2HA GLY 40 -6.848 16.415 -1.175 293 H LEU 41 H LEU 41 -6.692 15.738 -3.461 294 HA LEU 41 HA LEU 41 -8.390 13.417 -4.081 295 HB2 LEU 41 1HB LEU 41 -8.498 15.336 -5.476 296 HB3 LEU 41 2HB LEU 41 -6.833 15.134 -5.928 297 HG LEU 41 HG LEU 41 -7.235 12.895 -6.875 298 HD11 LEU 41 1HD1 LEU 41 -9.518 11.993 -7.141 299 HD12 LEU 41 2HD1 LEU 41 -10.179 13.331 -6.191 300 HD13 LEU 41 3HD1 LEU 41 -9.138 12.082 -5.460 301 HD21 LEU 41 3HD2 LEU 41 -8.637 13.568 -8.747 302 HD22 LEU 41 1HD2 LEU 41 -7.450 14.793 -8.261 303 HD23 LEU 41 2HD2 LEU 41 -9.174 14.986 -7.798 304 H VAL 42 H VAL 42 -7.720 11.500 -4.124 305 HA VAL 42 HA VAL 42 -4.927 10.611 -4.095 306 HB VAL 42 HB VAL 42 -7.548 9.067 -4.312 307 HG11 VAL 42 1HG1 VAL 42 -6.084 7.127 -3.584 308 HG12 VAL 42 2HG1 VAL 42 -5.751 7.715 -5.214 309 HG13 VAL 42 3HG1 VAL 42 -4.670 8.153 -3.869 310 HG21 VAL 42 3HG2 VAL 42 -7.408 10.172 -2.107 311 HG22 VAL 42 1HG2 VAL 42 -7.155 8.431 -1.960 312 HG23 VAL 42 2HG2 VAL 42 -5.763 9.528 -1.883 313 H LYS 43 H LYS 43 -3.843 10.688 -5.962 314 HA LYS 43 HA LYS 43 -5.022 10.409 -8.622 315 HB2 LYS 43 1HB LYS 43 -2.717 11.483 -8.028 316 HB3 LYS 43 2HB LYS 43 -2.163 9.873 -7.685 317 HG2 LYS 43 1HG LYS 43 -1.665 9.470 -9.775 318 HG3 LYS 43 2HG LYS 43 -3.323 9.691 -10.303 319 HD2 LYS 43 1HD LYS 43 -1.516 12.095 -9.806 320 HD3 LYS 43 2HD LYS 43 -1.340 11.152 -11.253 321 HE2 LYS 43 1HE LYS 43 -2.811 13.268 -11.299 322 HE3 LYS 43 2HE LYS 43 -3.284 11.837 -12.212 323 HZ1 LYS 43 3HZ LYS 43 -4.372 12.291 -9.536 324 HZ2 LYS 43 1HZ LYS 43 -5.025 11.432 -10.796 325 HZ3 LYS 43 2HZ LYS 43 -5.007 13.047 -10.844 326 H SER 44 H SER 44 -3.107 8.240 -6.400 327 HA SER 44 HA SER 44 -4.510 5.898 -7.474 328 HB2 SER 44 1HB SER 44 -2.092 5.055 -8.158 329 HB3 SER 44 2HB SER 44 -3.068 6.041 -9.250 330 HG SER 44 HG SER 44 -0.783 6.827 -7.822 331 H ILE 45 H ILE 45 -3.410 3.856 -6.701 332 HA ILE 45 HA ILE 45 -2.038 4.043 -4.128 333 HB ILE 45 HB ILE 45 -4.425 2.251 -4.771 334 HG12 ILE 45 1HG1 ILE 45 -4.890 3.514 -2.320 335 HG13 ILE 45 2HG1 ILE 45 -4.156 4.796 -3.243 336 HG21 ILE 45 1HG2 ILE 45 -2.711 2.328 -2.271 337 HG22 ILE 45 2HG2 ILE 45 -4.169 1.342 -2.518 338 HG23 ILE 45 3HG2 ILE 45 -2.733 1.015 -3.476 339 HD11 ILE 45 3HD1 ILE 45 -6.578 4.878 -3.467 340 HD12 ILE 45 1HD1 ILE 45 -5.892 4.412 -5.037 341 HD13 ILE 45 2HD1 ILE 45 -6.638 3.195 -3.972 342 H GLU 46 H GLU 46 -0.565 2.171 -3.951 343 HA GLU 46 HA GLU 46 -0.417 0.406 -6.304 344 HB2 GLU 46 1HB GLU 46 1.481 2.329 -6.087 345 HB3 GLU 46 2HB GLU 46 2.168 1.155 -4.984 346 HG2 GLU 46 1HG GLU 46 1.784 1.024 -7.951 347 HG3 GLU 46 2HG GLU 46 3.190 0.681 -6.993 348 H ILE 47 H ILE 47 -0.183 -1.656 -5.710 349 HA ILE 47 HA ILE 47 0.460 -2.444 -2.932 350 HB ILE 47 HB ILE 47 -1.990 -3.479 -4.395 351 HG12 ILE 47 1HG1 ILE 47 -1.834 -1.371 -2.240 352 HG13 ILE 47 2HG1 ILE 47 -2.483 -1.206 -3.867 353 HG21 ILE 47 1HG2 ILE 47 -1.057 -3.807 -1.498 354 HG22 ILE 47 2HG2 ILE 47 -2.444 -4.605 -2.269 355 HG23 ILE 47 3HG2 ILE 47 -0.815 -5.020 -2.779 356 HD11 ILE 47 3HD1 ILE 47 -4.287 -2.835 -3.311 357 HD12 ILE 47 1HD1 ILE 47 -3.704 -2.822 -1.624 358 HD13 ILE 47 2HD1 ILE 47 -4.315 -1.333 -2.353 359 HA PRO 48 HA PRO 48 2.560 -4.805 -6.306 360 HB2 PRO 48 1HB PRO 48 4.877 -5.367 -4.927 361 HB3 PRO 48 2HB PRO 48 4.600 -3.868 -5.868 362 HG2 PRO 48 1HG PRO 48 4.290 -4.293 -2.892 363 HG3 PRO 48 2HG PRO 48 5.031 -2.900 -3.737 364 HD2 PRO 48 1HD PRO 48 2.523 -2.773 -2.788 365 HD3 PRO 48 2HD PRO 48 2.987 -1.974 -4.323 366 H ARG 49 H ARG 49 2.732 -7.074 -6.477 367 HA ARG 49 HA ARG 49 1.400 -8.567 -4.262 368 HB2 ARG 49 1HB ARG 49 1.365 -8.891 -7.296 369 HB3 ARG 49 2HB ARG 49 0.459 -9.910 -6.192 370 HG2 ARG 49 1HG ARG 49 -1.138 -8.281 -5.740 371 HG3 ARG 49 2HG ARG 49 -0.029 -6.958 -5.978 372 HD2 ARG 49 1HD ARG 49 -1.515 -6.727 -7.698 373 HD3 ARG 49 2HD ARG 49 -0.116 -7.459 -8.493 374 HE ARG 49 HE ARG 49 -1.644 -9.633 -7.854 375 HH11 ARG 49 1HH1 ARG 49 -2.449 -6.667 -9.624 376 HH12 ARG 49 2HH1 ARG 49 -3.972 -7.287 -10.205 377 HH21 ARG 49 1HH2 ARG 49 -3.518 -10.493 -8.741 378 HH22 ARG 49 2HH2 ARG 49 -4.579 -9.575 -9.699 379 HA PRO 50 HA PRO 50 4.947 -11.449 -4.458 380 HB2 PRO 50 1HB PRO 50 3.831 -13.741 -3.555 381 HB3 PRO 50 2HB PRO 50 4.238 -12.354 -2.506 382 HG2 PRO 50 1HG PRO 50 1.555 -13.150 -3.632 383 HG3 PRO 50 2HG PRO 50 1.916 -12.554 -1.993 384 HD2 PRO 50 1HD PRO 50 0.926 -11.011 -4.084 385 HD3 PRO 50 2HD PRO 50 1.890 -10.320 -2.739 386 H VAL 51 H VAL 51 5.735 -12.265 -6.132 387 HA VAL 51 HA VAL 51 4.064 -12.928 -8.469 388 HB VAL 51 HB VAL 51 7.092 -13.161 -8.275 389 HG11 VAL 51 1HG1 VAL 51 5.171 -12.737 -10.593 390 HG12 VAL 51 2HG1 VAL 51 6.942 -12.773 -10.722 391 HG13 VAL 51 3HG1 VAL 51 6.067 -14.222 -10.221 392 HG21 VAL 51 3HG2 VAL 51 5.464 -10.680 -8.971 393 HG22 VAL 51 1HG2 VAL 51 6.582 -10.865 -7.606 394 HG23 VAL 51 2HG2 VAL 51 7.207 -10.875 -9.245 395 H ASP 52 H ASP 52 3.078 -14.901 -8.340 396 HA ASP 52 HA ASP 52 2.712 -17.071 -7.952 397 HB2 ASP 52 1HB ASP 52 4.407 -16.946 -9.845 398 HB3 ASP 52 2HB ASP 52 5.609 -17.488 -8.683 399 H GLY 53 H GLY 53 3.604 -15.585 -5.728 400 HA2 GLY 53 1HA GLY 53 3.608 -15.991 -3.441 401 HA3 GLY 53 2HA GLY 53 4.008 -17.709 -3.706 402 H VAL 54 H VAL 54 6.192 -15.692 -5.419 403 HA VAL 54 HA VAL 54 8.363 -16.180 -3.666 404 HB VAL 54 HB VAL 54 8.223 -15.569 -6.184 405 HG11 VAL 54 1HG1 VAL 54 8.684 -12.806 -5.089 406 HG12 VAL 54 2HG1 VAL 54 8.640 -13.316 -6.790 407 HG13 VAL 54 3HG1 VAL 54 7.165 -13.420 -5.754 408 HG21 VAL 54 3HG2 VAL 54 10.517 -14.527 -4.493 409 HG22 VAL 54 1HG2 VAL 54 10.291 -16.196 -5.070 410 HG23 VAL 54 2HG2 VAL 54 10.558 -14.876 -6.226 411 H GLU 55 H GLU 55 9.680 -14.682 -2.557 412 HA GLU 55 HA GLU 55 8.329 -12.438 -1.215 413 HB2 GLU 55 1HB GLU 55 10.263 -12.112 0.060 414 HB3 GLU 55 2HB GLU 55 10.031 -13.868 -0.021 415 HG2 GLU 55 1HG GLU 55 11.607 -13.650 -2.135 416 HG3 GLU 55 2HG GLU 55 12.065 -12.117 -1.407 417 H VAL 56 H VAL 56 8.174 -10.556 -2.162 418 HA VAL 56 HA VAL 56 10.286 -9.613 -4.007 419 HB VAL 56 HB VAL 56 8.291 -7.834 -4.337 420 HG11 VAL 56 1HG1 VAL 56 8.634 -10.455 -5.869 421 HG12 VAL 56 2HG1 VAL 56 7.826 -9.000 -6.490 422 HG13 VAL 56 3HG1 VAL 56 9.556 -8.967 -6.137 423 HG21 VAL 56 3HG2 VAL 56 6.166 -8.904 -4.674 424 HG22 VAL 56 1HG2 VAL 56 6.807 -10.466 -4.118 425 HG23 VAL 56 2HG2 VAL 56 6.651 -9.102 -2.991 426 HA PRO 57 HA PRO 57 11.513 -6.756 -0.896 427 HB2 PRO 57 1HB PRO 57 12.754 -4.804 -2.356 428 HB3 PRO 57 2HB PRO 57 13.430 -6.460 -2.218 429 HG2 PRO 57 1HG PRO 57 11.678 -5.368 -4.427 430 HG3 PRO 57 2HG PRO 57 13.253 -6.186 -4.597 431 HD2 PRO 57 1HD PRO 57 10.923 -7.536 -4.859 432 HD3 PRO 57 2HD PRO 57 12.282 -8.290 -3.973 433 H GLY 58 H GLY 58 10.119 -5.465 0.194 434 HA2 GLY 58 1HA GLY 58 8.930 -3.467 0.517 435 HA3 GLY 58 2HA GLY 58 8.781 -3.224 -1.214 436 H CYS 59 H CYS 59 8.029 -6.503 -0.196 437 HA CYS 59 HA CYS 59 5.245 -6.104 -0.899 438 HB2 CYS 59 1HB CYS 59 6.816 -8.248 -1.057 439 HB3 CYS 59 2HB CYS 59 6.270 -8.528 0.606 440 HG CYS 59 HG CYS 59 4.753 -10.023 -0.846 441 H GLY 60 H GLY 60 3.450 -6.310 0.460 442 HA2 GLY 60 1HA GLY 60 2.259 -6.554 2.465 443 HA3 GLY 60 2HA GLY 60 3.743 -6.355 3.402 444 H LYS 61 H LYS 61 4.550 -3.886 1.868 445 HA LYS 61 HA LYS 61 2.947 -1.945 3.375 446 HB2 LYS 61 1HB LYS 61 4.944 -1.197 1.209 447 HB3 LYS 61 2HB LYS 61 4.331 -0.229 2.533 448 HG2 LYS 61 1HG LYS 61 6.384 -0.687 3.325 449 HG3 LYS 61 2HG LYS 61 5.591 -2.120 3.981 450 HD2 LYS 61 1HD LYS 61 6.386 -3.487 2.100 451 HD3 LYS 61 2HD LYS 61 6.950 -2.067 1.224 452 HE2 LYS 61 1HE LYS 61 7.976 -2.751 3.951 453 HE3 LYS 61 2HE LYS 61 8.662 -3.461 2.468 454 HZ1 LYS 61 3HZ LYS 61 9.842 -1.429 3.271 455 HZ2 LYS 61 1HZ LYS 61 8.520 -0.551 2.919 456 HZ3 LYS 61 2HZ LYS 61 9.343 -1.338 1.736 457 H ILE 62 H ILE 62 2.126 0.060 2.051 458 HA ILE 62 HA ILE 62 1.185 -0.545 -0.683 459 HB ILE 62 HB ILE 62 -0.488 0.551 1.618 460 HG12 ILE 62 1HG1 ILE 62 -0.589 -1.862 -0.222 461 HG13 ILE 62 2HG1 ILE 62 -0.574 -1.807 1.538 462 HG21 ILE 62 1HG2 ILE 62 -0.800 2.011 -0.404 463 HG22 ILE 62 2HG2 ILE 62 -1.225 0.582 -1.335 464 HG23 ILE 62 3HG2 ILE 62 -2.236 1.127 0.021 465 HD11 ILE 62 3HD1 ILE 62 -2.754 -2.480 0.727 466 HD12 ILE 62 1HD1 ILE 62 -2.896 -0.861 1.477 467 HD13 ILE 62 2HD1 ILE 62 -2.878 -1.053 -0.282 468 H PHE 63 H PHE 63 1.396 1.365 -1.940 469 HA PHE 63 HA PHE 63 2.388 3.828 -0.530 470 HB2 PHE 63 1HB PHE 63 2.750 3.155 -3.452 471 HB3 PHE 63 2HB PHE 63 3.531 4.417 -2.498 472 HD1 PHE 63 2HD PHE 63 3.408 0.773 -3.194 473 HD2 PHE 63 1HD PHE 63 5.546 3.948 -1.211 474 HE1 PHE 63 2HE PHE 63 5.291 -0.721 -2.854 475 HE2 PHE 63 1HE PHE 63 7.495 2.414 -0.906 476 HZ PHE 63 HZ PHE 63 7.390 0.083 -1.773 477 H VAL 64 H VAL 64 1.335 5.862 -1.249 478 HA VAL 64 HA VAL 64 -1.028 5.577 -2.988 479 HB VAL 64 HB VAL 64 -1.991 5.397 -0.808 480 HG11 VAL 64 1HG1 VAL 64 -1.856 7.195 0.903 481 HG12 VAL 64 2HG1 VAL 64 -0.314 6.373 0.660 482 HG13 VAL 64 3HG1 VAL 64 -0.582 7.975 -0.040 483 HG21 VAL 64 3HG2 VAL 64 -3.249 6.757 -2.420 484 HG22 VAL 64 1HG2 VAL 64 -3.547 7.235 -0.745 485 HG23 VAL 64 2HG2 VAL 64 -2.496 8.229 -1.776 486 H GLU 65 H GLU 65 -1.518 7.698 -3.992 487 HA GLU 65 HA GLU 65 0.670 9.687 -3.985 488 HB2 GLU 65 1HB GLU 65 1.409 8.007 -5.532 489 HB3 GLU 65 2HB GLU 65 -0.181 7.823 -6.253 490 HG2 GLU 65 1HG GLU 65 0.040 9.845 -7.478 491 HG3 GLU 65 2HG GLU 65 1.443 10.382 -6.546 492 H PHE 66 H PHE 66 -0.129 11.563 -3.965 493 HA PHE 66 HA PHE 66 -3.059 11.937 -4.552 494 HB2 PHE 66 1HB PHE 66 -1.119 13.802 -3.146 495 HB3 PHE 66 2HB PHE 66 -2.807 14.162 -3.489 496 HD1 PHE 66 2HD PHE 66 -4.667 13.000 -2.254 497 HD2 PHE 66 1HD PHE 66 -0.516 12.295 -1.436 498 HE1 PHE 66 2HE PHE 66 -5.293 11.880 -0.134 499 HE2 PHE 66 1HE PHE 66 -1.135 11.195 0.748 500 HZ PHE 66 HZ PHE 66 -3.516 10.949 1.350 501 H THR 67 H THR 67 -3.649 13.916 -5.765 502 HA THR 67 HA THR 67 -1.913 14.312 -8.070 503 HB THR 67 HB THR 67 -4.399 14.245 -8.109 504 HG1 THR 67 1HG THR 67 -3.095 16.542 -9.085 505 HG21 THR 67 3HG2 THR 67 -4.222 17.031 -6.883 506 HG22 THR 67 1HG2 THR 67 -4.775 15.557 -6.064 507 HG23 THR 67 2HG2 THR 67 -5.675 16.203 -7.464 508 H SER 68 H SER 68 -1.511 15.593 -4.918 509 HA SER 68 HA SER 68 0.450 17.347 -5.986 510 HB2 SER 68 1HB SER 68 -1.796 18.597 -4.299 511 HB3 SER 68 2HB SER 68 -0.321 19.418 -4.829 512 HG SER 68 HG SER 68 -1.513 18.408 -6.972 513 H VAL 69 H VAL 69 1.978 18.003 -4.440 514 HA VAL 69 HA VAL 69 2.377 16.489 -2.073 515 HB VAL 69 HB VAL 69 3.464 19.236 -2.821 516 HG11 VAL 69 1HG1 VAL 69 5.446 18.544 -1.461 517 HG12 VAL 69 2HG1 VAL 69 3.978 18.674 -0.494 518 HG13 VAL 69 3HG1 VAL 69 4.580 17.075 -0.975 519 HG21 VAL 69 3HG2 VAL 69 5.398 18.097 -3.812 520 HG22 VAL 69 1HG2 VAL 69 4.686 16.521 -3.468 521 HG23 VAL 69 2HG2 VAL 69 3.941 17.591 -4.660 522 H PHE 70 H PHE 70 0.599 19.497 -2.703 523 HA PHE 70 HA PHE 70 0.328 20.406 0.007 524 HB2 PHE 70 1HB PHE 70 -1.162 20.866 -2.600 525 HB3 PHE 70 2HB PHE 70 -1.932 21.331 -1.096 526 HD1 PHE 70 2HD PHE 70 1.406 21.759 -2.850 527 HD2 PHE 70 1HD PHE 70 -1.540 23.430 -0.170 528 HE1 PHE 70 2HE PHE 70 2.710 23.840 -2.688 529 HE2 PHE 70 1HE PHE 70 -0.248 25.535 -0.061 530 HZ PHE 70 HZ PHE 70 1.903 25.740 -1.306 531 H ASP 71 H ASP 71 -2.091 18.603 -1.999 532 HA ASP 71 HA ASP 71 -3.923 17.976 -0.020 533 HB2 ASP 71 1HB ASP 71 -3.039 16.305 -2.420 534 HB3 ASP 71 2HB ASP 71 -4.483 15.991 -1.469 535 H CYS 72 H CYS 72 -0.922 16.430 -0.787 536 HA CYS 72 HA CYS 72 -1.228 14.110 0.824 537 HB2 CYS 72 1HB CYS 72 0.432 14.456 -1.118 538 HB3 CYS 72 2HB CYS 72 1.413 15.427 -0.011 539 HG CYS 72 HG CYS 72 2.639 13.258 -0.111 540 H GLN 73 H GLN 73 0.475 17.215 1.390 541 HA GLN 73 HA GLN 73 1.538 16.664 3.916 542 HB2 GLN 73 1HB GLN 73 1.033 19.063 2.242 543 HB3 GLN 73 2HB GLN 73 0.956 19.429 3.943 544 HG2 GLN 73 1HG GLN 73 3.183 18.350 4.278 545 HG3 GLN 73 2HG GLN 73 3.250 18.018 2.539 546 HE21 GLN 73 1HE2 GLN 73 3.705 19.737 1.100 547 HE22 GLN 73 2HE2 GLN 73 4.083 21.360 1.615 548 H LYS 74 H LYS 74 -1.787 17.531 3.111 549 HA LYS 74 HA LYS 74 -2.564 18.058 5.878 550 HB2 LYS 74 1HB LYS 74 -4.379 17.448 3.498 551 HB3 LYS 74 2HB LYS 74 -4.763 18.274 5.007 552 HG2 LYS 74 1HG LYS 74 -3.039 20.068 4.262 553 HG3 LYS 74 2HG LYS 74 -3.109 19.255 2.672 554 HD2 LYS 74 1HD LYS 74 -5.516 19.644 2.551 555 HD3 LYS 74 2HD LYS 74 -5.512 20.405 4.163 556 HE2 LYS 74 1HE LYS 74 -4.018 22.191 3.337 557 HE3 LYS 74 2HE LYS 74 -3.956 21.413 1.754 558 HZ1 LYS 74 3HZ LYS 74 -6.283 21.783 1.482 559 HZ2 LYS 74 1HZ LYS 74 -5.516 23.224 1.804 560 HZ3 LYS 74 2HZ LYS 74 -6.433 22.465 2.966 561 H ALA 75 H ALA 75 -3.014 15.487 3.422 562 HA ALA 75 HA ALA 75 -4.643 13.793 4.881 563 HB1 ALA 75 1HB ALA 75 -2.562 13.008 2.809 564 HB2 ALA 75 2HB ALA 75 -3.988 12.075 3.302 565 HB3 ALA 75 3HB ALA 75 -4.193 13.614 2.448 566 H MET 76 H MET 76 -0.987 13.709 4.740 567 HA MET 76 HA MET 76 -0.567 11.432 6.247 568 HB2 MET 76 1HB MET 76 1.303 12.451 5.327 569 HB3 MET 76 2HB MET 76 0.918 14.055 5.976 570 HG2 MET 76 1HG MET 76 1.659 13.513 8.122 571 HG3 MET 76 2HG MET 76 1.638 11.776 7.817 572 HE1 MET 76 3HE MET 76 3.237 10.519 6.472 573 HE2 MET 76 1HE MET 76 4.970 10.890 6.675 574 HE3 MET 76 2HE MET 76 3.897 10.771 8.098 575 H GLN 77 H GLN 77 -0.528 14.690 7.735 576 HA GLN 77 HA GLN 77 -0.617 13.564 10.358 577 HB2 GLN 77 1HB GLN 77 -1.375 16.384 9.421 578 HB3 GLN 77 2HB GLN 77 -1.080 15.917 11.104 579 HG2 GLN 77 1HG GLN 77 1.264 15.367 10.580 580 HG3 GLN 77 2HG GLN 77 0.996 15.730 8.868 581 HE21 GLN 77 1HE2 GLN 77 2.546 17.455 8.756 582 HE22 GLN 77 2HE2 GLN 77 2.282 18.954 9.640 583 H GLY 78 H GLY 78 -3.217 14.303 8.126 584 HA2 GLY 78 1HA GLY 78 -5.385 14.392 10.024 585 HA3 GLY 78 2HA GLY 78 -5.471 14.103 8.281 586 H LEU 79 H LEU 79 -3.559 11.794 8.430 587 HA LEU 79 HA LEU 79 -5.523 9.781 9.380 588 HB2 LEU 79 1HB LEU 79 -3.832 9.866 6.871 589 HB3 LEU 79 2HB LEU 79 -4.797 8.484 7.375 590 HG LEU 79 HG LEU 79 -5.921 11.255 6.774 591 HD11 LEU 79 1HD1 LEU 79 -5.092 9.694 4.804 592 HD12 LEU 79 2HD1 LEU 79 -6.612 10.561 4.704 593 HD13 LEU 79 3HD1 LEU 79 -6.643 8.859 5.124 594 HD21 LEU 79 3HD2 LEU 79 -7.151 8.670 7.749 595 HD22 LEU 79 1HD2 LEU 79 -8.115 9.764 6.767 596 HD23 LEU 79 2HD2 LEU 79 -7.451 10.342 8.286 597 H THR 80 H THR 80 -2.300 10.771 9.917 598 HA THR 80 HA THR 80 -0.984 8.444 10.613 599 HB THR 80 HB THR 80 -1.076 11.169 11.928 600 HG1 THR 80 1HG THR 80 1.281 10.534 10.953 601 HG21 THR 80 3HG2 THR 80 0.827 8.877 12.610 602 HG22 THR 80 1HG2 THR 80 -0.390 9.574 13.701 603 HG23 THR 80 2HG2 THR 80 0.958 10.561 13.172 604 H GLY 81 H GLY 81 -1.648 6.728 11.798 605 HA2 GLY 81 1HA GLY 81 -2.152 5.656 13.758 606 HA3 GLY 81 2HA GLY 81 -2.601 7.195 14.508 607 H ARG 82 H ARG 82 -4.351 6.752 11.513 608 HA ARG 82 HA ARG 82 -6.749 5.804 12.890 609 HB2 ARG 82 1HB ARG 82 -6.099 6.469 9.971 610 HB3 ARG 82 2HB ARG 82 -7.662 6.096 10.646 611 HG2 ARG 82 1HG ARG 82 -7.039 8.069 12.388 612 HG3 ARG 82 2HG ARG 82 -6.070 8.594 11.038 613 HD2 ARG 82 1HD ARG 82 -8.268 8.432 9.656 614 HD3 ARG 82 2HD ARG 82 -9.088 8.240 11.208 615 HE ARG 82 HE ARG 82 -7.259 10.541 10.844 616 HH11 ARG 82 1HH1 ARG 82 -10.749 9.606 10.630 617 HH12 ARG 82 2HH1 ARG 82 -11.207 11.254 10.899 618 HH21 ARG 82 1HH2 ARG 82 -8.006 12.570 10.914 619 HH22 ARG 82 2HH2 ARG 82 -9.723 12.915 11.055 620 H LYS 83 H LYS 83 -7.822 4.120 10.989 621 HA LYS 83 HA LYS 83 -5.892 1.885 10.720 622 HB2 LYS 83 1HB LYS 83 -8.865 1.535 11.333 623 HB3 LYS 83 2HB LYS 83 -7.620 0.300 11.176 624 HG2 LYS 83 1HG LYS 83 -7.824 0.363 13.426 625 HG3 LYS 83 2HG LYS 83 -6.503 1.537 13.265 626 HD2 LYS 83 1HD LYS 83 -8.132 3.367 13.545 627 HD3 LYS 83 2HD LYS 83 -9.484 2.223 13.443 628 HE2 LYS 83 1HE LYS 83 -7.364 2.141 15.624 629 HE3 LYS 83 2HE LYS 83 -8.871 3.064 15.765 630 HZ1 LYS 83 3HZ LYS 83 -8.772 0.143 15.337 631 HZ2 LYS 83 1HZ LYS 83 -10.116 1.052 15.567 632 HZ3 LYS 83 2HZ LYS 83 -9.022 0.873 16.791 633 H PHE 84 H PHE 84 -5.898 1.128 8.582 634 HA PHE 84 HA PHE 84 -8.047 2.101 6.690 635 HB2 PHE 84 1HB PHE 84 -5.087 1.623 6.288 636 HB3 PHE 84 2HB PHE 84 -6.219 1.598 4.956 637 HD1 PHE 84 2HD PHE 84 -6.688 4.247 7.533 638 HD2 PHE 84 1HD PHE 84 -5.057 3.157 3.709 639 HE1 PHE 84 2HE PHE 84 -6.329 6.635 6.986 640 HE2 PHE 84 1HE PHE 84 -4.748 5.533 3.133 641 HZ PHE 84 HZ PHE 84 -5.358 7.264 4.744 642 H ALA 85 H ALA 85 -7.868 -0.200 8.518 643 HA ALA 85 HA ALA 85 -8.977 -2.222 6.901 644 HB1 ALA 85 1HB ALA 85 -7.184 -4.009 7.435 645 HB2 ALA 85 2HB ALA 85 -6.777 -2.875 6.142 646 HB3 ALA 85 3HB ALA 85 -6.081 -2.644 7.738 647 H ASN 86 H ASN 86 -6.792 -2.192 9.680 648 HA ASN 86 HA ASN 86 -8.850 -2.021 11.708 649 HB2 ASN 86 1HB ASN 86 -8.248 -4.704 10.767 650 HB3 ASN 86 2HB ASN 86 -7.535 -4.542 12.362 651 HD21 ASN 86 1HD2 ASN 86 -10.545 -4.096 10.535 652 HD22 ASN 86 2HD2 ASN 86 -11.618 -4.479 11.870 653 H ARG 87 H ARG 87 -5.478 -2.750 10.774 654 HA ARG 87 HA ARG 87 -4.554 -2.314 13.518 655 HB2 ARG 87 1HB ARG 87 -3.138 -2.825 10.891 656 HB3 ARG 87 2HB ARG 87 -2.312 -2.741 12.473 657 HG2 ARG 87 1HG ARG 87 -3.768 -4.581 13.352 658 HG3 ARG 87 2HG ARG 87 -4.521 -4.732 11.775 659 HD2 ARG 87 1HD ARG 87 -2.948 -6.460 11.866 660 HD3 ARG 87 2HD ARG 87 -2.215 -5.244 10.811 661 HE ARG 87 HE ARG 87 -1.304 -4.657 13.390 662 HH11 ARG 87 1HH1 ARG 87 -1.165 -7.550 11.278 663 HH12 ARG 87 2HH1 ARG 87 0.494 -7.875 11.684 664 HH21 ARG 87 1HH2 ARG 87 0.820 -5.358 14.129 665 HH22 ARG 87 2HH2 ARG 87 1.558 -6.701 13.294 666 H VAL 88 H VAL 88 -2.687 -0.830 13.855 667 HA VAL 88 HA VAL 88 -3.551 1.829 13.306 668 HB VAL 88 HB VAL 88 -2.298 1.039 15.302 669 HG11 VAL 88 1HG1 VAL 88 0.110 0.796 15.292 670 HG12 VAL 88 2HG1 VAL 88 -0.594 -0.348 14.135 671 HG13 VAL 88 3HG1 VAL 88 0.192 1.146 13.570 672 HG21 VAL 88 3HG2 VAL 88 -0.998 3.379 13.841 673 HG22 VAL 88 1HG2 VAL 88 -2.488 3.440 14.826 674 HG23 VAL 88 2HG2 VAL 88 -0.927 3.051 15.584 675 H VAL 89 H VAL 89 -3.052 3.249 11.674 676 HA VAL 89 HA VAL 89 -1.168 2.364 9.574 677 HB VAL 89 HB VAL 89 -3.310 4.496 9.741 678 HG11 VAL 89 1HG1 VAL 89 -1.575 5.497 8.396 679 HG12 VAL 89 2HG1 VAL 89 -1.346 3.992 7.477 680 HG13 VAL 89 3HG1 VAL 89 -2.864 4.920 7.333 681 HG21 VAL 89 3HG2 VAL 89 -4.209 3.062 7.862 682 HG22 VAL 89 1HG2 VAL 89 -2.915 1.894 8.199 683 HG23 VAL 89 2HG2 VAL 89 -4.130 2.240 9.428 684 H VAL 90 H VAL 90 0.831 2.800 9.864 685 HA VAL 90 HA VAL 90 1.818 5.361 10.976 686 HB VAL 90 HB VAL 90 4.032 4.184 10.042 687 HG11 VAL 90 1HG1 VAL 90 4.352 3.147 12.312 688 HG12 VAL 90 2HG1 VAL 90 3.804 4.824 12.316 689 HG13 VAL 90 3HG1 VAL 90 2.644 3.519 12.655 690 HG21 VAL 90 3HG2 VAL 90 4.105 1.798 10.231 691 HG22 VAL 90 1HG2 VAL 90 2.442 1.707 10.829 692 HG23 VAL 90 2HG2 VAL 90 2.746 2.184 9.148 693 H THR 91 H THR 91 2.627 6.936 9.526 694 HA THR 91 HA THR 91 2.222 6.412 6.643 695 HB THR 91 HB THR 91 1.603 8.786 6.515 696 HG1 THR 91 1HG THR 91 1.022 9.629 8.810 697 HG21 THR 91 3HG2 THR 91 -0.142 7.402 8.612 698 HG22 THR 91 1HG2 THR 91 -0.207 7.063 6.870 699 HG23 THR 91 2HG2 THR 91 -0.626 8.681 7.475 700 H LYS 92 H LYS 92 3.808 7.344 5.240 701 HA LYS 92 HA LYS 92 6.120 8.715 6.485 702 HB2 LYS 92 1HB LYS 92 6.150 5.897 5.924 703 HB3 LYS 92 2HB LYS 92 6.937 6.654 4.533 704 HG2 LYS 92 1HG LYS 92 8.334 7.973 6.190 705 HG3 LYS 92 2HG LYS 92 7.676 6.877 7.448 706 HD2 LYS 92 1HD LYS 92 8.816 5.027 6.622 707 HD3 LYS 92 2HD LYS 92 8.971 5.694 4.982 708 HE2 LYS 92 1HE LYS 92 10.642 7.236 5.595 709 HE3 LYS 92 2HE LYS 92 10.334 7.034 7.324 710 HZ1 LYS 92 3HZ LYS 92 11.193 4.740 5.747 711 HZ2 LYS 92 1HZ LYS 92 11.460 5.034 7.352 712 HZ3 LYS 92 2HZ LYS 92 12.318 5.841 6.189 713 H TYR 93 H TYR 93 7.102 10.172 4.884 714 HA TYR 93 HA TYR 93 5.847 10.344 2.235 715 HB2 TYR 93 1HB TYR 93 8.437 11.483 3.351 716 HB3 TYR 93 2HB TYR 93 7.855 11.741 1.708 717 HD1 TYR 93 1HD TYR 93 5.407 12.648 1.424 718 HD2 TYR 93 2HD TYR 93 7.705 12.958 5.070 719 HE1 TYR 93 1HE TYR 93 4.064 14.630 2.113 720 HE2 TYR 93 2HE TYR 93 6.343 14.902 5.774 721 HH TYR 93 HH TYR 93 3.601 15.703 4.814 722 H CYS 94 H CYS 94 6.504 9.342 0.382 723 HA CYS 94 HA CYS 94 8.851 7.526 0.533 724 HB2 CYS 94 1HB CYS 94 6.164 6.864 -0.113 725 HB3 CYS 94 2HB CYS 94 6.991 6.974 -1.674 726 HG CYS 94 HG CYS 94 8.620 5.187 -1.421 727 H ASP 95 H ASP 95 9.090 7.273 -2.335 728 HA ASP 95 HA ASP 95 9.505 10.103 -3.177 729 HB2 ASP 95 1HB ASP 95 11.157 7.661 -3.867 730 HB3 ASP 95 2HB ASP 95 11.347 9.264 -4.591 731 HA PRO 96 HA PRO 96 6.592 8.681 -6.277 732 HB2 PRO 96 1HB PRO 96 6.760 10.732 -8.105 733 HB3 PRO 96 2HB PRO 96 5.957 10.886 -6.529 734 HG2 PRO 96 1HG PRO 96 8.731 11.772 -7.286 735 HG3 PRO 96 2HG PRO 96 7.541 12.621 -6.290 736 HD2 PRO 96 1HD PRO 96 9.638 11.156 -5.274 737 HD3 PRO 96 2HD PRO 96 8.083 11.355 -4.414 738 H ASP 97 H ASP 97 9.908 9.461 -7.173 739 HA ASP 97 HA ASP 97 9.980 8.520 -9.866 740 HB2 ASP 97 1HB ASP 97 11.856 9.450 -8.082 741 HB3 ASP 97 2HB ASP 97 12.263 7.714 -8.143 742 H SER 98 H SER 98 10.495 6.772 -6.793 743 HA SER 98 HA SER 98 10.693 4.268 -8.045 744 HB2 SER 98 1HB SER 98 10.411 4.080 -5.170 745 HB3 SER 98 2HB SER 98 11.843 3.851 -6.167 746 HG SER 98 HG SER 98 12.232 5.516 -4.709 747 H TYR 99 H TYR 99 8.022 6.113 -7.524 748 HA TYR 99 HA TYR 99 6.131 4.012 -6.616 749 HB2 TYR 99 1HB TYR 99 6.060 6.388 -5.726 750 HB3 TYR 99 2HB TYR 99 5.632 6.941 -7.339 751 HD1 TYR 99 1HD TYR 99 3.456 6.093 -8.438 752 HD2 TYR 99 2HD TYR 99 4.371 5.785 -4.248 753 HE1 TYR 99 1HE TYR 99 1.130 5.535 -8.006 754 HE2 TYR 99 2HE TYR 99 1.994 5.441 -3.783 755 HH TYR 99 HH TYR 99 -0.010 4.741 -4.698 756 H HIS 100 H HIS 100 6.632 6.325 -9.331 757 HA HIS 100 HA HIS 100 4.604 5.287 -11.014 758 HB2 HIS 100 1HB HIS 100 7.269 6.500 -11.869 759 HB3 HIS 100 2HB HIS 100 5.821 6.368 -12.856 760 HD1 HIS 100 1HD HIS 100 7.595 8.753 -10.821 761 HD2 HIS 100 2HD HIS 100 3.551 7.827 -11.425 762 HE1 HIS 100 1HE HIS 100 6.286 10.941 -10.463 763 H ARG 101 H ARG 101 7.833 4.176 -10.393 764 HA ARG 101 HA ARG 101 7.699 2.044 -12.463 765 HB2 ARG 101 1HB ARG 101 10.011 3.574 -11.183 766 HB3 ARG 101 2HB ARG 101 10.259 1.985 -11.929 767 HG2 ARG 101 1HG ARG 101 9.213 2.803 -14.022 768 HG3 ARG 101 2HG ARG 101 9.121 4.428 -13.349 769 HD2 ARG 101 1HD ARG 101 11.733 2.886 -13.466 770 HD3 ARG 101 2HD ARG 101 11.142 3.786 -14.863 771 HE ARG 101 HE ARG 101 11.030 5.668 -12.882 772 HH11 ARG 101 1HH1 ARG 101 13.607 3.431 -13.485 773 HH12 ARG 101 2HH1 ARG 101 14.858 4.599 -13.392 774 HH21 ARG 101 1HH2 ARG 101 12.788 7.203 -12.538 775 HH22 ARG 101 2HH2 ARG 101 14.342 6.867 -13.183 776 H ARG 102 H ARG 102 9.371 0.247 -11.390 777 HA ARG 102 HA ARG 102 8.131 -0.576 -8.812 778 HB2 ARG 102 1HB ARG 102 8.707 -2.194 -11.334 779 HB3 ARG 102 2HB ARG 102 8.601 -2.924 -9.735 780 HG2 ARG 102 1HG ARG 102 6.506 -2.882 -11.348 781 HG3 ARG 102 2HG ARG 102 6.403 -2.818 -9.595 782 HD2 ARG 102 1HD ARG 102 6.256 -0.334 -9.730 783 HD3 ARG 102 2HD ARG 102 6.202 -0.443 -11.479 784 HE ARG 102 HE ARG 102 4.128 -2.000 -10.316 785 HH11 ARG 102 1HH1 ARG 102 5.123 1.437 -10.018 786 HH12 ARG 102 2HH1 ARG 102 3.552 2.062 -10.145 787 HH21 ARG 102 1HH2 ARG 102 1.971 -1.140 -10.408 788 HH22 ARG 102 2HH2 ARG 102 1.691 0.534 -10.146 789 H ASP 103 H ASP 103 9.751 0.779 -8.103 790 HA ASP 103 HA ASP 103 12.289 -0.739 -7.745 791 HB2 ASP 103 1HB ASP 103 12.654 1.384 -9.093 792 HB3 ASP 103 2HB ASP 103 12.195 2.304 -7.663 793 H PHE 104 H PHE 104 10.700 -1.721 -6.226 794 HA PHE 104 HA PHE 104 10.087 -0.040 -3.848 795 HB2 PHE 104 1HB PHE 104 9.203 -2.868 -4.450 796 HB3 PHE 104 2HB PHE 104 8.544 -1.790 -3.226 797 HD1 PHE 104 1HD PHE 104 8.149 0.755 -4.755 798 HD2 PHE 104 2HD PHE 104 7.454 -3.349 -5.928 799 HE1 PHE 104 1HE PHE 104 6.506 1.503 -6.472 800 HE2 PHE 104 2HE PHE 104 5.786 -2.558 -7.593 801 HZ PHE 104 HZ PHE 104 5.360 -0.153 -7.877 802 H TRP 105 H TRP 105 10.569 -0.802 -1.713 803 HA TRP 105 HA TRP 105 12.240 -2.982 -1.118 804 HB2 TRP 105 1HB TRP 105 13.554 -0.529 -1.991 805 HB3 TRP 105 2HB TRP 105 13.813 -0.706 -0.284 806 HD1 TRP 105 HD TRP 105 14.628 -3.496 0.296 807 HE1 TRP 105 1HE TRP 105 16.746 -4.577 -0.687 808 HE3 TRP 105 3HE TRP 105 15.034 -0.785 -4.052 809 HZ2 TRP 105 2HZ TRP 105 18.558 -4.085 -2.848 810 HZ3 TRP 105 3HZ TRP 105 17.020 -1.075 -5.508 811 HH2 TRP 105 HH TRP 105 18.794 -2.716 -4.912 Start of MODEL 12 1 H1 GLY 1 H GLY 1 13.979 12.202 6.891 2 HA2 GLY 1 1HA GLY 1 13.564 10.549 5.077 3 HA3 GLY 1 2HA GLY 1 12.072 11.443 4.751 4 H GLY 2 H GLY 2 12.203 13.617 3.935 5 HA2 GLY 2 1HA GLY 2 14.600 15.045 3.405 6 HA3 GLY 2 2HA GLY 2 14.058 14.163 1.957 7 H HIS 3 H HIS 3 13.229 15.984 0.809 8 HA HIS 3 HA HIS 3 11.365 17.873 1.872 9 HB2 HIS 3 1HB HIS 3 10.906 18.381 -0.481 10 HB3 HIS 3 2HB HIS 3 12.628 18.280 -0.165 11 HD1 HIS 3 1HD HIS 3 13.899 15.988 -1.246 12 HD2 HIS 3 2HD HIS 3 9.973 16.982 -2.471 13 HE1 HIS 3 1HE HIS 3 13.509 14.807 -3.409 14 HA PRO 4 HA PRO 4 7.559 15.423 1.715 15 HB2 PRO 4 1HB PRO 4 5.696 17.335 1.163 16 HB3 PRO 4 2HB PRO 4 6.508 17.258 2.741 17 HG2 PRO 4 1HG PRO 4 7.203 19.050 0.385 18 HG3 PRO 4 2HG PRO 4 7.075 19.501 2.107 19 HD2 PRO 4 1HD PRO 4 9.446 18.992 0.943 20 HD3 PRO 4 2HD PRO 4 9.120 18.579 2.646 21 H THR 5 H THR 5 6.274 14.438 -0.025 22 HA THR 5 HA THR 5 6.653 15.511 -2.746 23 HB THR 5 HB THR 5 7.009 13.115 -3.460 24 HG1 THR 5 1HG THR 5 7.946 11.900 -1.465 25 HG21 THR 5 3HG2 THR 5 8.968 14.556 -3.283 26 HG22 THR 5 1HG2 THR 5 9.350 12.903 -2.762 27 HG23 THR 5 2HG2 THR 5 9.136 14.170 -1.549 28 H GLU 6 H GLU 6 4.939 14.747 -4.163 29 HA GLU 6 HA GLU 6 2.377 14.866 -2.923 30 HB2 GLU 6 1HB GLU 6 1.506 14.790 -5.158 31 HB3 GLU 6 2HB GLU 6 2.976 15.769 -5.136 32 HG2 GLU 6 1HG GLU 6 4.233 13.663 -5.929 33 HG3 GLU 6 2HG GLU 6 2.650 12.932 -6.192 34 H VAL 7 H VAL 7 4.261 12.156 -2.924 35 HA VAL 7 HA VAL 7 1.927 10.361 -3.117 36 HB VAL 7 HB VAL 7 3.446 8.547 -3.280 37 HG11 VAL 7 1HG1 VAL 7 4.677 10.770 -4.971 38 HG12 VAL 7 2HG1 VAL 7 4.636 9.050 -5.353 39 HG13 VAL 7 3HG1 VAL 7 3.134 9.985 -5.377 40 HG21 VAL 7 3HG2 VAL 7 5.835 8.757 -3.315 41 HG22 VAL 7 1HG2 VAL 7 5.708 10.421 -2.682 42 HG23 VAL 7 2HG2 VAL 7 5.095 9.030 -1.729 43 H LEU 8 H LEU 8 2.640 8.407 -1.372 44 HA LEU 8 HA LEU 8 3.080 9.492 1.306 45 HB2 LEU 8 1HB LEU 8 0.451 8.993 0.286 46 HB3 LEU 8 2HB LEU 8 0.845 7.567 1.182 47 HG LEU 8 HG LEU 8 -0.364 8.950 2.576 48 HD11 LEU 8 1HD1 LEU 8 1.745 7.956 3.622 49 HD12 LEU 8 2HD1 LEU 8 0.927 9.252 4.492 50 HD13 LEU 8 3HD1 LEU 8 2.398 9.622 3.567 51 HD21 LEU 8 3HD2 LEU 8 0.028 11.298 3.041 52 HD22 LEU 8 1HD2 LEU 8 -0.079 11.068 1.297 53 HD23 LEU 8 2HD2 LEU 8 1.504 11.287 2.040 54 H CYS 9 H CYS 9 3.643 7.629 2.721 55 HA CYS 9 HA CYS 9 4.015 4.986 1.410 56 HB2 CYS 9 1HB CYS 9 6.145 6.083 1.256 57 HB3 CYS 9 2HB CYS 9 6.036 6.742 2.888 58 HG CYS 9 HG CYS 9 7.886 4.805 2.387 59 H LEU 10 H LEU 10 2.574 3.736 2.615 60 HA LEU 10 HA LEU 10 2.459 4.127 5.524 61 HB2 LEU 10 1HB LEU 10 0.354 2.946 3.702 62 HB3 LEU 10 2HB LEU 10 0.208 3.475 5.374 63 HG LEU 10 HG LEU 10 0.995 5.843 4.222 64 HD11 LEU 10 1HD1 LEU 10 -0.571 4.270 2.113 65 HD12 LEU 10 2HD1 LEU 10 0.974 5.101 1.903 66 HD13 LEU 10 3HD1 LEU 10 -0.489 6.050 2.144 67 HD21 LEU 10 3HD2 LEU 10 -1.237 6.555 4.363 68 HD22 LEU 10 1HD2 LEU 10 -0.922 5.433 5.684 69 HD23 LEU 10 2HD2 LEU 10 -1.853 4.881 4.265 70 H MET 11 H MET 11 2.108 2.198 6.807 71 HA MET 11 HA MET 11 3.028 -0.359 5.549 72 HB2 MET 11 1HB MET 11 4.099 0.972 8.060 73 HB3 MET 11 2HB MET 11 4.545 -0.620 7.516 74 HG2 MET 11 1HG MET 11 6.124 0.199 6.190 75 HG3 MET 11 2HG MET 11 5.031 1.259 5.342 76 HE1 MET 11 3HE MET 11 5.393 4.669 7.105 77 HE2 MET 11 1HE MET 11 4.949 3.800 5.616 78 HE3 MET 11 2HE MET 11 4.058 3.491 7.128 79 H ASN 12 H ASN 12 2.877 -2.184 7.137 80 HA ASN 12 HA ASN 12 1.749 -3.616 8.404 81 HB2 ASN 12 1HB ASN 12 0.426 -1.448 10.011 82 HB3 ASN 12 2HB ASN 12 0.918 -3.055 10.513 83 HD21 ASN 12 1HD2 ASN 12 1.496 -0.046 11.207 84 HD22 ASN 12 2HD2 ASN 12 3.199 -0.117 11.652 85 H MET 13 H MET 13 0.409 -2.060 6.121 86 HA MET 13 HA MET 13 -2.374 -1.863 6.869 87 HB2 MET 13 1HB MET 13 -1.134 -0.345 5.366 88 HB3 MET 13 2HB MET 13 -0.967 -1.617 4.161 89 HG2 MET 13 1HG MET 13 -3.354 -1.677 3.832 90 HG3 MET 13 2HG MET 13 -3.638 -0.672 5.240 91 HE1 MET 13 3HE MET 13 -2.934 1.945 5.355 92 HE2 MET 13 1HE MET 13 -1.280 1.696 4.745 93 HE3 MET 13 2HE MET 13 -2.359 2.847 3.938 94 H VAL 14 H VAL 14 -0.862 -3.655 4.167 95 HA VAL 14 HA VAL 14 -2.811 -5.845 4.519 96 HB VAL 14 HB VAL 14 -2.087 -6.444 2.196 97 HG11 VAL 14 1HG1 VAL 14 -3.324 -4.610 1.098 98 HG12 VAL 14 2HG1 VAL 14 -4.111 -5.132 2.589 99 HG13 VAL 14 3HG1 VAL 14 -3.191 -3.624 2.562 100 HG21 VAL 14 3HG2 VAL 14 0.138 -5.438 2.100 101 HG22 VAL 14 1HG2 VAL 14 -0.886 -4.758 0.833 102 HG23 VAL 14 2HG2 VAL 14 -0.540 -3.806 2.280 103 H LEU 15 H LEU 15 -2.019 -8.024 4.363 104 HA LEU 15 HA LEU 15 0.745 -8.426 5.366 105 HB2 LEU 15 1HB LEU 15 -1.788 -10.101 5.627 106 HB3 LEU 15 2HB LEU 15 -0.230 -10.608 6.184 107 HG LEU 15 HG LEU 15 -1.534 -10.002 7.993 108 HD11 LEU 15 1HD1 LEU 15 0.470 -7.743 7.614 109 HD12 LEU 15 2HD1 LEU 15 0.855 -9.400 8.144 110 HD13 LEU 15 3HD1 LEU 15 -0.159 -8.364 9.156 111 HD21 LEU 15 3HD2 LEU 15 -2.666 -8.021 8.453 112 HD22 LEU 15 1HD2 LEU 15 -3.108 -8.444 6.802 113 HD23 LEU 15 2HD2 LEU 15 -1.922 -7.144 7.108 114 HA PRO 16 HA PRO 16 1.607 -10.416 1.522 115 HB2 PRO 16 1HB PRO 16 3.116 -12.621 2.201 116 HB3 PRO 16 2HB PRO 16 3.686 -10.938 2.361 117 HG2 PRO 16 1HG PRO 16 2.433 -12.653 4.525 118 HG3 PRO 16 2HG PRO 16 3.994 -11.763 4.585 119 HD2 PRO 16 1HD PRO 16 1.792 -10.615 5.599 120 HD3 PRO 16 2HD PRO 16 2.872 -9.646 4.563 121 H GLU 17 H GLU 17 -0.443 -11.980 3.741 122 HA GLU 17 HA GLU 17 -0.806 -14.433 2.128 123 HB2 GLU 17 1HB GLU 17 -1.693 -15.371 4.249 124 HB3 GLU 17 2HB GLU 17 0.023 -14.975 4.206 125 HG2 GLU 17 1HG GLU 17 -0.470 -12.846 5.464 126 HG3 GLU 17 2HG GLU 17 -2.155 -13.344 5.559 127 H GLU 18 H GLU 18 -2.080 -11.491 2.172 128 HA GLU 18 HA GLU 18 -4.919 -12.413 2.006 129 HB2 GLU 18 1HB GLU 18 -3.870 -9.661 2.688 130 HB3 GLU 18 2HB GLU 18 -5.522 -10.239 2.863 131 HG2 GLU 18 1HG GLU 18 -3.125 -11.201 4.464 132 HG3 GLU 18 2HG GLU 18 -4.272 -9.981 5.002 133 H LEU 19 H LEU 19 -2.313 -11.106 0.296 134 HA LEU 19 HA LEU 19 -3.905 -9.511 -1.652 135 HB2 LEU 19 1HB LEU 19 -0.924 -9.986 -1.410 136 HB3 LEU 19 2HB LEU 19 -1.717 -8.935 -2.604 137 HG LEU 19 HG LEU 19 -1.904 -8.469 0.395 138 HD11 LEU 19 1HD1 LEU 19 -0.163 -6.767 0.026 139 HD12 LEU 19 2HD1 LEU 19 -0.036 -7.236 -1.677 140 HD13 LEU 19 3HD1 LEU 19 0.451 -8.358 -0.388 141 HD21 LEU 19 3HD2 LEU 19 -2.575 -6.772 -2.082 142 HD22 LEU 19 1HD2 LEU 19 -2.628 -6.190 -0.406 143 HD23 LEU 19 2HD2 LEU 19 -3.743 -7.446 -0.944 144 H LEU 20 H LEU 20 -4.867 -11.860 -1.901 145 HA LEU 20 HA LEU 20 -3.488 -13.183 -4.206 146 HB2 LEU 20 1HB LEU 20 -4.963 -14.573 -1.952 147 HB3 LEU 20 2HB LEU 20 -4.408 -15.304 -3.438 148 HG LEU 20 HG LEU 20 -2.909 -16.010 -1.858 149 HD11 LEU 20 1HD1 LEU 20 -1.414 -13.677 -3.103 150 HD12 LEU 20 2HD1 LEU 20 -1.794 -15.191 -3.937 151 HD13 LEU 20 3HD1 LEU 20 -0.741 -15.186 -2.505 152 HD21 LEU 20 3HD2 LEU 20 -3.483 -14.305 -0.090 153 HD22 LEU 20 1HD2 LEU 20 -2.278 -13.237 -0.834 154 HD23 LEU 20 2HD2 LEU 20 -1.778 -14.794 -0.181 155 H ASP 21 H ASP 21 -6.647 -12.778 -2.514 156 HA ASP 21 HA ASP 21 -8.356 -13.340 -4.675 157 HB2 ASP 21 1HB ASP 21 -8.637 -11.600 -2.199 158 HB3 ASP 21 2HB ASP 21 -9.905 -11.688 -3.415 159 H ASP 22 H ASP 22 -7.464 -12.399 -6.565 160 HA ASP 22 HA ASP 22 -6.767 -9.734 -7.089 161 HB2 ASP 22 1HB ASP 22 -8.270 -11.610 -9.005 162 HB3 ASP 22 2HB ASP 22 -7.265 -10.266 -9.479 163 H GLU 23 H GLU 23 -9.886 -10.875 -6.474 164 HA GLU 23 HA GLU 23 -11.261 -8.748 -7.995 165 HB2 GLU 23 1HB GLU 23 -13.190 -10.084 -7.831 166 HB3 GLU 23 2HB GLU 23 -11.827 -11.028 -8.437 167 HG2 GLU 23 1HG GLU 23 -11.500 -11.759 -5.931 168 HG3 GLU 23 2HG GLU 23 -13.103 -11.025 -5.741 169 H GLU 24 H GLU 24 -10.821 -9.927 -4.618 170 HA GLU 24 HA GLU 24 -12.410 -7.886 -3.454 171 HB2 GLU 24 1HB GLU 24 -11.591 -10.235 -2.628 172 HB3 GLU 24 2HB GLU 24 -10.093 -9.397 -2.175 173 HG2 GLU 24 1HG GLU 24 -11.487 -7.776 -0.853 174 HG3 GLU 24 2HG GLU 24 -12.913 -8.683 -1.349 175 H TYR 25 H TYR 25 -8.923 -8.276 -4.221 176 HA TYR 25 HA TYR 25 -7.705 -6.107 -3.099 177 HB2 TYR 25 1HB TYR 25 -6.603 -7.807 -4.419 178 HB3 TYR 25 2HB TYR 25 -7.502 -7.383 -5.857 179 HD1 TYR 25 2HD TYR 25 -7.016 -5.372 -7.147 180 HD2 TYR 25 1HD TYR 25 -4.566 -6.595 -3.790 181 HE1 TYR 25 2HE TYR 25 -5.226 -3.874 -7.928 182 HE2 TYR 25 1HE TYR 25 -2.775 -5.059 -4.560 183 HH TYR 25 HH TYR 25 -3.185 -3.002 -7.486 184 H GLU 26 H GLU 26 -9.902 -6.057 -5.937 185 HA GLU 26 HA GLU 26 -9.367 -3.312 -6.683 186 HB2 GLU 26 1HB GLU 26 -11.097 -5.617 -7.455 187 HB3 GLU 26 2HB GLU 26 -11.913 -4.097 -7.602 188 HG2 GLU 26 1HG GLU 26 -9.193 -4.745 -8.810 189 HG3 GLU 26 2HG GLU 26 -10.709 -4.925 -9.672 190 H GLU 27 H GLU 27 -11.834 -4.958 -4.708 191 HA GLU 27 HA GLU 27 -13.569 -2.710 -4.349 192 HB2 GLU 27 1HB GLU 27 -13.224 -5.172 -2.588 193 HB3 GLU 27 2HB GLU 27 -14.617 -4.097 -2.637 194 HG2 GLU 27 1HG GLU 27 -13.616 -5.839 -4.932 195 HG3 GLU 27 2HG GLU 27 -14.958 -6.218 -3.853 196 H ILE 28 H ILE 28 -11.017 -4.205 -2.394 197 HA ILE 28 HA ILE 28 -11.285 -2.579 -0.100 198 HB ILE 28 HB ILE 28 -8.916 -4.130 -1.253 199 HG12 ILE 28 1HG1 ILE 28 -10.694 -4.782 1.157 200 HG13 ILE 28 2HG1 ILE 28 -11.052 -5.347 -0.465 201 HG21 ILE 28 1HG2 ILE 28 -7.933 -3.935 1.090 202 HG22 ILE 28 2HG2 ILE 28 -8.017 -2.389 0.248 203 HG23 ILE 28 3HG2 ILE 28 -9.224 -2.773 1.474 204 HD11 ILE 28 3HD1 ILE 28 -8.824 -6.481 -0.567 205 HD12 ILE 28 1HD1 ILE 28 -8.570 -6.049 1.145 206 HD13 ILE 28 2HD1 ILE 28 -9.903 -7.104 0.692 207 H VAL 29 H VAL 29 -9.274 -2.127 -3.035 208 HA VAL 29 HA VAL 29 -7.871 0.196 -2.142 209 HB VAL 29 HB VAL 29 -8.620 -0.942 -4.844 210 HG11 VAL 29 1HG1 VAL 29 -7.090 0.691 -5.905 211 HG12 VAL 29 2HG1 VAL 29 -8.495 1.495 -5.225 212 HG13 VAL 29 3HG1 VAL 29 -6.940 1.560 -4.361 213 HG21 VAL 29 3HG2 VAL 29 -5.960 -0.501 -3.414 214 HG22 VAL 29 1HG2 VAL 29 -6.848 -2.035 -3.400 215 HG23 VAL 29 2HG2 VAL 29 -6.185 -1.413 -4.914 216 H GLU 30 H GLU 30 -11.040 -0.231 -3.845 217 HA GLU 30 HA GLU 30 -11.420 2.568 -4.247 218 HB2 GLU 30 1HB GLU 30 -13.375 0.244 -4.182 219 HB3 GLU 30 2HB GLU 30 -13.822 1.875 -4.645 220 HG2 GLU 30 1HG GLU 30 -11.464 0.811 -6.136 221 HG3 GLU 30 2HG GLU 30 -12.951 -0.115 -6.352 222 H ASP 31 H ASP 31 -12.391 0.378 -1.592 223 HA ASP 31 HA ASP 31 -13.975 2.486 -0.407 224 HB2 ASP 31 1HB ASP 31 -13.885 -0.224 0.101 225 HB3 ASP 31 2HB ASP 31 -12.938 0.354 1.420 226 H VAL 32 H VAL 32 -10.630 1.686 -0.201 227 HA VAL 32 HA VAL 32 -10.128 3.377 2.201 228 HB VAL 32 HB VAL 32 -8.342 1.937 0.146 229 HG11 VAL 32 1HG1 VAL 32 -7.089 3.921 0.805 230 HG12 VAL 32 2HG1 VAL 32 -7.470 3.641 2.522 231 HG13 VAL 32 3HG1 VAL 32 -6.439 2.497 1.639 232 HG21 VAL 32 3HG2 VAL 32 -7.753 0.507 2.045 233 HG22 VAL 32 1HG2 VAL 32 -8.735 1.504 3.149 234 HG23 VAL 32 2HG2 VAL 32 -9.504 0.539 1.876 235 H ARG 33 H ARG 33 -10.050 3.600 -1.362 236 HA ARG 33 HA ARG 33 -8.719 6.098 -1.426 237 HB2 ARG 33 1HB ARG 33 -8.954 4.506 -3.285 238 HB3 ARG 33 2HB ARG 33 -10.666 4.665 -3.307 239 HG2 ARG 33 1HG ARG 33 -10.638 6.793 -4.304 240 HG3 ARG 33 2HG ARG 33 -8.854 6.971 -4.026 241 HD2 ARG 33 1HD ARG 33 -8.305 5.321 -5.602 242 HD3 ARG 33 2HD ARG 33 -9.875 4.541 -5.511 243 HE ARG 33 HE ARG 33 -10.638 6.813 -6.596 244 HH11 ARG 33 1HH1 ARG 33 -7.872 4.847 -7.529 245 HH12 ARG 33 2HH1 ARG 33 -8.566 4.328 -9.042 246 HH21 ARG 33 1HH2 ARG 33 -11.382 6.446 -8.779 247 HH22 ARG 33 2HH2 ARG 33 -10.375 5.569 -9.868 248 H ASP 34 H ASP 34 -12.125 5.361 -0.845 249 HA ASP 34 HA ASP 34 -13.134 8.055 -0.847 250 HB2 ASP 34 1HB ASP 34 -14.746 6.375 -0.502 251 HB3 ASP 34 2HB ASP 34 -13.798 5.543 0.705 252 H GLU 35 H GLU 35 -11.290 6.179 1.622 253 HA GLU 35 HA GLU 35 -11.687 8.211 3.608 254 HB2 GLU 35 1HB GLU 35 -10.728 6.851 5.094 255 HB3 GLU 35 2HB GLU 35 -11.469 5.717 4.017 256 HG2 GLU 35 1HG GLU 35 -9.425 4.832 3.376 257 HG3 GLU 35 2HG GLU 35 -8.502 6.252 3.712 258 H CYS 36 H CYS 36 -8.843 7.369 1.467 259 HA CYS 36 HA CYS 36 -7.418 9.624 2.532 260 HB2 CYS 36 1HB CYS 36 -6.049 9.135 0.367 261 HB3 CYS 36 2HB CYS 36 -5.818 8.237 1.868 262 HG CYS 36 HG CYS 36 -5.587 6.858 -0.449 263 H SER 37 H SER 37 -9.817 9.408 -0.095 264 HA SER 37 HA SER 37 -9.230 11.895 -1.308 265 HB2 SER 37 1HB SER 37 -11.639 10.110 -0.964 266 HB3 SER 37 2HB SER 37 -11.919 11.769 -1.400 267 HG SER 37 HG SER 37 -11.781 10.725 -3.196 268 H LYS 38 H LYS 38 -10.204 11.414 2.033 269 HA LYS 38 HA LYS 38 -12.008 13.596 2.207 270 HB2 LYS 38 1HB LYS 38 -10.260 12.209 4.268 271 HB3 LYS 38 2HB LYS 38 -11.414 13.517 4.693 272 HG2 LYS 38 1HG LYS 38 -13.207 12.265 3.585 273 HG3 LYS 38 2HG LYS 38 -12.114 10.929 3.204 274 HD2 LYS 38 1HD LYS 38 -11.811 10.385 5.504 275 HD3 LYS 38 2HD LYS 38 -12.632 11.853 6.049 276 HE2 LYS 38 1HE LYS 38 -13.883 9.485 4.604 277 HE3 LYS 38 2HE LYS 38 -14.126 9.946 6.291 278 HZ1 LYS 38 3HZ LYS 38 -15.953 10.731 5.186 279 HZ2 LYS 38 1HZ LYS 38 -15.110 11.256 3.863 280 HZ3 LYS 38 2HZ LYS 38 -15.041 12.088 5.318 281 H TYR 39 H TYR 39 -8.586 13.768 1.843 282 HA TYR 39 HA TYR 39 -8.552 16.490 3.028 283 HB2 TYR 39 1HB TYR 39 -6.255 14.558 2.707 284 HB3 TYR 39 2HB TYR 39 -6.324 16.025 3.678 285 HD1 TYR 39 2HD TYR 39 -7.731 16.116 5.742 286 HD2 TYR 39 1HD TYR 39 -7.242 12.459 3.521 287 HE1 TYR 39 2HE TYR 39 -8.634 14.812 7.684 288 HE2 TYR 39 1HE TYR 39 -8.087 11.162 5.446 289 HH TYR 39 HH TYR 39 -8.167 11.617 8.193 290 H GLY 40 H GLY 40 -8.797 15.259 0.005 291 HA2 GLY 40 1HA GLY 40 -7.938 17.330 -1.607 292 HA3 GLY 40 2HA GLY 40 -6.523 16.287 -1.336 293 H LEU 41 H LEU 41 -6.492 15.226 -3.476 294 HA LEU 41 HA LEU 41 -8.725 13.330 -3.861 295 HB2 LEU 41 1HB LEU 41 -8.861 15.405 -5.226 296 HB3 LEU 41 2HB LEU 41 -7.316 15.075 -5.900 297 HG LEU 41 HG LEU 41 -9.374 14.542 -7.314 298 HD11 LEU 41 1HD1 LEU 41 -7.489 13.723 -8.288 299 HD12 LEU 41 2HD1 LEU 41 -8.472 12.271 -8.109 300 HD13 LEU 41 3HD1 LEU 41 -7.132 12.574 -6.992 301 HD21 LEU 41 3HD2 LEU 41 -9.515 12.044 -5.632 302 HD22 LEU 41 1HD2 LEU 41 -10.554 12.514 -6.988 303 HD23 LEU 41 2HD2 LEU 41 -10.628 13.432 -5.471 304 H VAL 42 H VAL 42 -8.068 11.276 -4.364 305 HA VAL 42 HA VAL 42 -5.212 10.688 -4.136 306 HB VAL 42 HB VAL 42 -7.521 8.752 -4.471 307 HG11 VAL 42 1HG1 VAL 42 -4.750 8.512 -3.238 308 HG12 VAL 42 2HG1 VAL 42 -5.988 7.232 -3.214 309 HG13 VAL 42 3HG1 VAL 42 -5.288 7.773 -4.748 310 HG21 VAL 42 3HG2 VAL 42 -6.473 9.856 -1.842 311 HG22 VAL 42 1HG2 VAL 42 -8.093 10.133 -2.518 312 HG23 VAL 42 2HG2 VAL 42 -7.634 8.518 -2.031 313 H LYS 43 H LYS 43 -3.968 10.324 -5.866 314 HA LYS 43 HA LYS 43 -5.033 10.275 -8.606 315 HB2 LYS 43 1HB LYS 43 -2.824 11.439 -7.866 316 HB3 LYS 43 2HB LYS 43 -2.186 9.806 -7.666 317 HG2 LYS 43 1HG LYS 43 -1.476 10.377 -9.822 318 HG3 LYS 43 2HG LYS 43 -2.915 9.408 -10.123 319 HD2 LYS 43 1HD LYS 43 -4.162 11.751 -10.074 320 HD3 LYS 43 2HD LYS 43 -2.537 12.421 -10.306 321 HE2 LYS 43 1HE LYS 43 -3.752 10.252 -12.081 322 HE3 LYS 43 2HE LYS 43 -3.968 11.971 -12.406 323 HZ1 LYS 43 3HZ LYS 43 -1.323 10.649 -12.265 324 HZ2 LYS 43 1HZ LYS 43 -1.639 12.218 -12.716 325 HZ3 LYS 43 2HZ LYS 43 -2.171 10.975 -13.630 326 H SER 44 H SER 44 -2.995 8.067 -6.527 327 HA SER 44 HA SER 44 -4.448 5.731 -7.518 328 HB2 SER 44 1HB SER 44 -2.672 6.262 -9.301 329 HB3 SER 44 2HB SER 44 -1.449 5.987 -8.046 330 HG SER 44 HG SER 44 -1.677 4.041 -8.968 331 H ILE 45 H ILE 45 -3.515 3.760 -6.530 332 HA ILE 45 HA ILE 45 -2.057 4.184 -4.044 333 HB ILE 45 HB ILE 45 -4.608 2.565 -4.199 334 HG12 ILE 45 1HG1 ILE 45 -4.404 4.745 -2.157 335 HG13 ILE 45 2HG1 ILE 45 -4.591 5.273 -3.808 336 HG21 ILE 45 1HG2 ILE 45 -2.535 3.148 -2.000 337 HG22 ILE 45 2HG2 ILE 45 -4.091 2.357 -1.661 338 HG23 ILE 45 3HG2 ILE 45 -2.906 1.565 -2.710 339 HD11 ILE 45 3HD1 ILE 45 -6.742 5.008 -2.604 340 HD12 ILE 45 1HD1 ILE 45 -6.648 3.949 -4.028 341 HD13 ILE 45 2HD1 ILE 45 -6.411 3.280 -2.392 342 H GLU 46 H GLU 46 -0.490 2.824 -4.086 343 HA GLU 46 HA GLU 46 -0.416 0.800 -6.215 344 HB2 GLU 46 1HB GLU 46 0.971 2.819 -6.540 345 HB3 GLU 46 2HB GLU 46 1.917 2.342 -5.142 346 HG2 GLU 46 1HG GLU 46 2.995 1.775 -7.260 347 HG3 GLU 46 2HG GLU 46 2.695 0.344 -6.271 348 H ILE 47 H ILE 47 -0.555 -1.198 -5.625 349 HA ILE 47 HA ILE 47 0.550 -2.115 -3.034 350 HB ILE 47 HB ILE 47 -2.151 -2.893 -4.184 351 HG12 ILE 47 1HG1 ILE 47 -1.568 -0.795 -2.083 352 HG13 ILE 47 2HG1 ILE 47 -2.335 -0.564 -3.652 353 HG21 ILE 47 1HG2 ILE 47 -2.476 -3.928 -1.959 354 HG22 ILE 47 2HG2 ILE 47 -1.026 -4.564 -2.707 355 HG23 ILE 47 3HG2 ILE 47 -0.884 -3.342 -1.436 356 HD11 ILE 47 3HD1 ILE 47 -4.067 -0.518 -2.005 357 HD12 ILE 47 1HD1 ILE 47 -4.222 -2.036 -2.916 358 HD13 ILE 47 2HD1 ILE 47 -3.520 -2.037 -1.289 359 HA PRO 48 HA PRO 48 1.998 -4.983 -6.339 360 HB2 PRO 48 1HB PRO 48 4.357 -5.685 -5.168 361 HB3 PRO 48 2HB PRO 48 4.190 -4.196 -6.143 362 HG2 PRO 48 1HG PRO 48 4.052 -4.543 -3.159 363 HG3 PRO 48 2HG PRO 48 4.945 -3.275 -4.045 364 HD2 PRO 48 1HD PRO 48 2.525 -2.782 -2.943 365 HD3 PRO 48 2HD PRO 48 3.013 -2.032 -4.491 366 H ARG 49 H ARG 49 1.956 -7.229 -6.228 367 HA ARG 49 HA ARG 49 0.869 -8.447 -3.743 368 HB2 ARG 49 1HB ARG 49 0.490 -8.874 -6.728 369 HB3 ARG 49 2HB ARG 49 0.137 -10.179 -5.643 370 HG2 ARG 49 1HG ARG 49 -1.805 -9.301 -4.995 371 HG3 ARG 49 2HG ARG 49 -1.083 -7.750 -4.598 372 HD2 ARG 49 1HD ARG 49 -2.711 -7.231 -6.151 373 HD3 ARG 49 2HD ARG 49 -1.196 -7.149 -7.054 374 HE ARG 49 HE ARG 49 -2.952 -9.582 -7.088 375 HH11 ARG 49 1HH1 ARG 49 -1.731 -6.767 -8.870 376 HH12 ARG 49 2HH1 ARG 49 -2.311 -7.324 -10.412 377 HH21 ARG 49 1HH2 ARG 49 -3.828 -10.260 -9.150 378 HH22 ARG 49 2HH2 ARG 49 -3.391 -9.387 -10.575 379 HA PRO 50 HA PRO 50 4.363 -11.221 -3.529 380 HB2 PRO 50 1HB PRO 50 3.287 -13.676 -2.989 381 HB3 PRO 50 2HB PRO 50 3.314 -12.322 -1.821 382 HG2 PRO 50 1HG PRO 50 1.038 -13.149 -3.638 383 HG3 PRO 50 2HG PRO 50 0.981 -12.809 -1.877 384 HD2 PRO 50 1HD PRO 50 0.294 -10.942 -3.703 385 HD3 PRO 50 2HD PRO 50 1.178 -10.468 -2.240 386 H VAL 51 H VAL 51 5.261 -13.337 -4.558 387 HA VAL 51 HA VAL 51 4.207 -13.608 -7.374 388 HB VAL 51 HB VAL 51 6.956 -14.261 -6.287 389 HG11 VAL 51 1HG1 VAL 51 7.513 -14.864 -8.601 390 HG12 VAL 51 2HG1 VAL 51 6.166 -15.879 -8.054 391 HG13 VAL 51 3HG1 VAL 51 5.845 -14.520 -9.129 392 HG21 VAL 51 3HG2 VAL 51 6.475 -11.829 -6.706 393 HG22 VAL 51 1HG2 VAL 51 7.740 -12.493 -7.757 394 HG23 VAL 51 2HG2 VAL 51 6.099 -12.239 -8.397 395 H ASP 52 H ASP 52 2.564 -14.971 -6.954 396 HA ASP 52 HA ASP 52 1.446 -16.833 -6.448 397 HB2 ASP 52 1HB ASP 52 3.161 -17.223 -8.386 398 HB3 ASP 52 2HB ASP 52 3.884 -18.358 -7.274 399 H GLY 53 H GLY 53 2.625 -15.806 -4.130 400 HA2 GLY 53 1HA GLY 53 2.263 -16.645 -1.901 401 HA3 GLY 53 2HA GLY 53 2.943 -18.197 -2.375 402 H VAL 54 H VAL 54 5.106 -16.414 -3.927 403 HA VAL 54 HA VAL 54 7.031 -16.634 -1.771 404 HB VAL 54 HB VAL 54 7.272 -15.756 -4.669 405 HG11 VAL 54 1HG1 VAL 54 9.339 -16.154 -2.545 406 HG12 VAL 54 2HG1 VAL 54 9.722 -16.353 -4.271 407 HG13 VAL 54 3HG1 VAL 54 9.117 -14.824 -3.707 408 HG21 VAL 54 3HG2 VAL 54 8.196 -17.990 -5.086 409 HG22 VAL 54 1HG2 VAL 54 8.018 -18.411 -3.364 410 HG23 VAL 54 2HG2 VAL 54 6.589 -18.159 -4.390 411 H GLU 55 H GLU 55 8.213 -15.026 -0.853 412 HA GLU 55 HA GLU 55 7.067 -12.409 -0.675 413 HB2 GLU 55 1HB GLU 55 8.670 -11.877 0.946 414 HB3 GLU 55 2HB GLU 55 8.248 -13.580 1.218 415 HG2 GLU 55 1HG GLU 55 10.249 -14.203 -0.131 416 HG3 GLU 55 2HG GLU 55 10.715 -12.503 -0.225 417 H VAL 56 H VAL 56 7.822 -10.506 -1.400 418 HA VAL 56 HA VAL 56 10.016 -10.460 -3.375 419 HB VAL 56 HB VAL 56 8.284 -8.516 -4.219 420 HG11 VAL 56 1HG1 VAL 56 7.732 -10.006 -6.080 421 HG12 VAL 56 2HG1 VAL 56 9.418 -10.239 -5.625 422 HG13 VAL 56 3HG1 VAL 56 8.217 -11.433 -5.110 423 HG21 VAL 56 3HG2 VAL 56 6.442 -10.770 -3.388 424 HG22 VAL 56 1HG2 VAL 56 6.491 -9.118 -2.713 425 HG23 VAL 56 2HG2 VAL 56 6.030 -9.378 -4.391 426 HA PRO 57 HA PRO 57 11.431 -6.960 -1.111 427 HB2 PRO 57 1HB PRO 57 12.367 -5.249 -3.039 428 HB3 PRO 57 2HB PRO 57 13.196 -6.768 -2.588 429 HG2 PRO 57 1HG PRO 57 11.289 -6.298 -4.904 430 HG3 PRO 57 2HG PRO 57 12.891 -7.100 -4.939 431 HD2 PRO 57 1HD PRO 57 10.590 -8.511 -4.777 432 HD3 PRO 57 2HD PRO 57 12.042 -9.046 -3.885 433 H GLY 58 H GLY 58 10.390 -5.345 -0.247 434 HA2 GLY 58 1HA GLY 58 9.274 -3.244 -0.132 435 HA3 GLY 58 2HA GLY 58 8.908 -3.380 -1.842 436 H CYS 59 H CYS 59 8.001 -6.253 -0.244 437 HA CYS 59 HA CYS 59 5.256 -5.699 -0.801 438 HB2 CYS 59 1HB CYS 59 6.647 -7.878 -1.056 439 HB3 CYS 59 2HB CYS 59 6.364 -8.090 0.679 440 HG CYS 59 HG CYS 59 4.702 -9.654 -0.470 441 H GLY 60 H GLY 60 3.453 -5.885 0.691 442 HA2 GLY 60 1HA GLY 60 2.303 -5.588 2.635 443 HA3 GLY 60 2HA GLY 60 3.799 -5.701 3.543 444 H LYS 61 H LYS 61 4.392 -3.315 1.314 445 HA LYS 61 HA LYS 61 3.607 -1.107 3.184 446 HB2 LYS 61 1HB LYS 61 5.618 -1.102 0.894 447 HB3 LYS 61 2HB LYS 61 5.281 0.223 2.003 448 HG2 LYS 61 1HG LYS 61 6.939 -0.494 3.304 449 HG3 LYS 61 2HG LYS 61 6.008 -1.932 3.696 450 HD2 LYS 61 1HD LYS 61 7.029 -3.128 1.793 451 HD3 LYS 61 2HD LYS 61 7.895 -1.655 1.299 452 HE2 LYS 61 1HE LYS 61 9.061 -1.597 3.471 453 HE3 LYS 61 2HE LYS 61 8.225 -3.069 3.981 454 HZ1 LYS 61 3HZ LYS 61 10.447 -3.459 3.222 455 HZ2 LYS 61 1HZ LYS 61 10.189 -2.872 1.757 456 HZ3 LYS 61 2HZ LYS 61 9.413 -4.289 2.282 457 H ILE 62 H ILE 62 2.427 0.722 2.195 458 HA ILE 62 HA ILE 62 1.434 0.211 -0.572 459 HB ILE 62 HB ILE 62 -0.271 0.718 1.890 460 HG12 ILE 62 1HG1 ILE 62 -0.187 -1.329 -0.397 461 HG13 ILE 62 2HG1 ILE 62 0.272 -1.640 1.267 462 HG21 ILE 62 1HG2 ILE 62 -0.997 1.136 -1.045 463 HG22 ILE 62 2HG2 ILE 62 -2.169 1.091 0.289 464 HG23 ILE 62 3HG2 ILE 62 -0.982 2.362 0.239 465 HD11 ILE 62 3HD1 ILE 62 -1.951 -1.640 2.023 466 HD12 ILE 62 1HD1 ILE 62 -2.588 -0.980 0.506 467 HD13 ILE 62 2HD1 ILE 62 -1.917 -2.602 0.552 468 H PHE 63 H PHE 63 1.380 1.975 -1.783 469 HA PHE 63 HA PHE 63 2.290 4.515 -0.514 470 HB2 PHE 63 1HB PHE 63 2.932 3.436 -3.271 471 HB3 PHE 63 2HB PHE 63 3.661 4.827 -2.467 472 HD1 PHE 63 1HD PHE 63 5.282 4.544 -0.626 473 HD2 PHE 63 2HD PHE 63 3.615 1.165 -2.732 474 HE1 PHE 63 1HE PHE 63 6.996 3.055 0.376 475 HE2 PHE 63 2HE PHE 63 5.269 -0.316 -1.670 476 HZ PHE 63 HZ PHE 63 6.967 0.624 -0.094 477 H VAL 64 H VAL 64 1.233 6.447 -1.259 478 HA VAL 64 HA VAL 64 -1.188 5.953 -2.971 479 HB VAL 64 HB VAL 64 -1.133 7.249 -0.253 480 HG11 VAL 64 1HG1 VAL 64 -3.480 6.811 -2.123 481 HG12 VAL 64 2HG1 VAL 64 -3.576 7.495 -0.482 482 HG13 VAL 64 3HG1 VAL 64 -2.746 8.373 -1.782 483 HG21 VAL 64 3HG2 VAL 64 -1.117 4.740 -0.163 484 HG22 VAL 64 1HG2 VAL 64 -2.412 5.582 0.683 485 HG23 VAL 64 2HG2 VAL 64 -2.737 4.836 -0.857 486 H GLU 65 H GLU 65 -0.960 7.305 -4.680 487 HA GLU 65 HA GLU 65 0.650 9.777 -4.421 488 HB2 GLU 65 1HB GLU 65 1.341 8.306 -6.087 489 HB3 GLU 65 2HB GLU 65 -0.287 8.128 -6.780 490 HG2 GLU 65 1HG GLU 65 -0.151 10.367 -7.624 491 HG3 GLU 65 2HG GLU 65 1.307 10.724 -6.716 492 H PHE 66 H PHE 66 -0.267 11.793 -4.643 493 HA PHE 66 HA PHE 66 -3.251 11.941 -4.799 494 HB2 PHE 66 1HB PHE 66 -1.287 13.469 -3.058 495 HB3 PHE 66 2HB PHE 66 -2.952 13.947 -3.288 496 HD1 PHE 66 2HD PHE 66 -0.787 11.326 -1.782 497 HD2 PHE 66 1HD PHE 66 -4.822 12.787 -2.265 498 HE1 PHE 66 2HE PHE 66 -1.551 9.915 0.109 499 HE2 PHE 66 1HE PHE 66 -5.543 11.446 -0.336 500 HZ PHE 66 HZ PHE 66 -3.903 9.997 0.874 501 H THR 67 H THR 67 -3.930 14.330 -5.281 502 HA THR 67 HA THR 67 -3.076 15.023 -7.834 503 HB THR 67 HB THR 67 -4.294 17.285 -6.973 504 HG1 THR 67 1HG THR 67 -4.721 17.029 -4.884 505 HG21 THR 67 3HG2 THR 67 -5.643 14.577 -7.322 506 HG22 THR 67 1HG2 THR 67 -5.156 15.680 -8.633 507 HG23 THR 67 2HG2 THR 67 -6.427 16.158 -7.515 508 H SER 68 H SER 68 -1.725 16.101 -4.722 509 HA SER 68 HA SER 68 0.620 17.139 -5.983 510 HB2 SER 68 1HB SER 68 -1.573 19.075 -5.195 511 HB3 SER 68 2HB SER 68 0.110 19.533 -4.895 512 HG SER 68 HG SER 68 -0.825 18.563 -7.380 513 H VAL 69 H VAL 69 2.114 18.040 -4.398 514 HA VAL 69 HA VAL 69 2.392 16.681 -2.036 515 HB VAL 69 HB VAL 69 3.403 19.511 -2.327 516 HG11 VAL 69 1HG1 VAL 69 4.530 16.948 -1.109 517 HG12 VAL 69 2HG1 VAL 69 5.379 18.501 -1.174 518 HG13 VAL 69 3HG1 VAL 69 3.897 18.347 -0.222 519 HG21 VAL 69 3HG2 VAL 69 3.913 18.553 -4.509 520 HG22 VAL 69 1HG2 VAL 69 5.382 18.558 -3.544 521 HG23 VAL 69 2HG2 VAL 69 4.496 17.052 -3.762 522 H PHE 70 H PHE 70 0.675 19.694 -2.589 523 HA PHE 70 HA PHE 70 0.214 20.338 0.177 524 HB2 PHE 70 1HB PHE 70 -0.758 21.277 -2.525 525 HB3 PHE 70 2HB PHE 70 -1.438 21.954 -1.035 526 HD1 PHE 70 2HD PHE 70 1.817 21.497 -2.872 527 HD2 PHE 70 1HD PHE 70 -0.248 23.458 0.384 528 HE1 PHE 70 2HE PHE 70 3.888 22.682 -2.270 529 HE2 PHE 70 1HE PHE 70 1.798 24.721 0.899 530 HZ PHE 70 HZ PHE 70 3.905 24.284 -0.380 531 H ASP 71 H ASP 71 -1.175 17.843 -1.584 532 HA ASP 71 HA ASP 71 -3.704 17.967 0.013 533 HB2 ASP 71 1HB ASP 71 -3.007 16.547 -2.583 534 HB3 ASP 71 2HB ASP 71 -4.449 16.216 -1.645 535 H CYS 72 H CYS 72 -0.711 16.127 -0.750 536 HA CYS 72 HA CYS 72 -1.617 13.780 0.710 537 HB2 CYS 72 1HB CYS 72 0.625 12.977 0.331 538 HB3 CYS 72 2HB CYS 72 -0.005 13.607 -1.180 539 HG CYS 72 HG CYS 72 2.635 13.965 -0.644 540 H GLN 73 H GLN 73 0.418 16.630 1.303 541 HA GLN 73 HA GLN 73 1.458 16.249 3.816 542 HB2 GLN 73 1HB GLN 73 0.282 18.626 2.334 543 HB3 GLN 73 2HB GLN 73 0.779 18.848 3.961 544 HG2 GLN 73 1HG GLN 73 2.883 17.510 2.401 545 HG3 GLN 73 2HG GLN 73 2.351 19.010 1.655 546 HE21 GLN 73 1HE2 GLN 73 4.853 19.059 2.282 547 HE22 GLN 73 2HE2 GLN 73 5.175 20.008 3.714 548 H LYS 74 H LYS 74 -1.901 16.910 3.005 549 HA LYS 74 HA LYS 74 -2.694 17.347 5.795 550 HB2 LYS 74 1HB LYS 74 -4.430 17.053 3.301 551 HB3 LYS 74 2HB LYS 74 -4.863 17.770 4.860 552 HG2 LYS 74 1HG LYS 74 -3.067 19.529 4.439 553 HG3 LYS 74 2HG LYS 74 -2.873 18.845 2.798 554 HD2 LYS 74 1HD LYS 74 -5.215 19.291 2.299 555 HD3 LYS 74 2HD LYS 74 -5.477 19.895 3.952 556 HE2 LYS 74 1HE LYS 74 -3.975 21.767 3.582 557 HE3 LYS 74 2HE LYS 74 -3.495 21.133 1.995 558 HZ1 LYS 74 3HZ LYS 74 -6.277 21.856 2.653 559 HZ2 LYS 74 1HZ LYS 74 -5.680 21.474 1.196 560 HZ3 LYS 74 2HZ LYS 74 -5.217 22.895 1.906 561 H ALA 75 H ALA 75 -3.162 14.945 3.188 562 HA ALA 75 HA ALA 75 -4.738 13.096 4.573 563 HB1 ALA 75 1HB ALA 75 -2.617 12.527 2.455 564 HB2 ALA 75 2HB ALA 75 -3.934 11.445 2.944 565 HB3 ALA 75 3HB ALA 75 -4.312 12.978 2.151 566 H MET 76 H MET 76 -1.118 13.297 4.476 567 HA MET 76 HA MET 76 -0.456 10.987 5.819 568 HB2 MET 76 1HB MET 76 0.857 13.598 5.386 569 HB3 MET 76 2HB MET 76 1.229 12.980 6.993 570 HG2 MET 76 1HG MET 76 1.761 10.743 5.865 571 HG3 MET 76 2HG MET 76 1.746 11.667 4.358 572 HE1 MET 76 3HE MET 76 3.405 11.988 8.032 573 HE2 MET 76 1HE MET 76 3.740 10.398 7.292 574 HE3 MET 76 2HE MET 76 5.060 11.569 7.500 575 H GLN 77 H GLN 77 -0.960 14.134 7.456 576 HA GLN 77 HA GLN 77 -0.866 12.933 10.049 577 HB2 GLN 77 1HB GLN 77 -1.925 15.621 9.046 578 HB3 GLN 77 2HB GLN 77 -1.703 15.204 10.751 579 HG2 GLN 77 1HG GLN 77 0.728 14.858 10.347 580 HG3 GLN 77 2HG GLN 77 0.503 15.316 8.648 581 HE21 GLN 77 1HE2 GLN 77 1.287 17.372 8.403 582 HE22 GLN 77 2HE2 GLN 77 1.021 18.678 9.545 583 H GLY 78 H GLY 78 -3.608 13.686 7.850 584 HA2 GLY 78 1HA GLY 78 -5.643 13.274 9.841 585 HA3 GLY 78 2HA GLY 78 -5.845 13.346 8.082 586 H LEU 79 H LEU 79 -3.632 11.013 8.225 587 HA LEU 79 HA LEU 79 -5.538 8.808 8.810 588 HB2 LEU 79 1HB LEU 79 -3.657 9.152 6.475 589 HB3 LEU 79 2HB LEU 79 -4.580 7.693 6.797 590 HG LEU 79 HG LEU 79 -5.904 10.414 6.411 591 HD11 LEU 79 1HD1 LEU 79 -4.571 9.603 4.375 592 HD12 LEU 79 2HD1 LEU 79 -6.241 10.132 4.199 593 HD13 LEU 79 3HD1 LEU 79 -5.877 8.399 4.201 594 HD21 LEU 79 3HD2 LEU 79 -7.028 7.581 6.284 595 HD22 LEU 79 1HD2 LEU 79 -7.922 9.021 5.865 596 HD23 LEU 79 2HD2 LEU 79 -7.366 8.807 7.526 597 H THR 80 H THR 80 -2.647 10.118 9.807 598 HA THR 80 HA THR 80 -1.014 7.806 10.180 599 HB THR 80 HB THR 80 -1.163 10.454 11.655 600 HG1 THR 80 1HG THR 80 -0.556 10.470 9.414 601 HG21 THR 80 3HG2 THR 80 0.988 8.280 11.750 602 HG22 THR 80 1HG2 THR 80 -0.022 8.829 13.113 603 HG23 THR 80 2HG2 THR 80 1.159 9.926 12.395 604 H GLY 81 H GLY 81 -1.874 6.003 11.179 605 HA2 GLY 81 1HA GLY 81 -2.257 4.793 13.181 606 HA3 GLY 81 2HA GLY 81 -2.866 6.266 13.964 607 H ARG 82 H ARG 82 -4.321 6.153 10.876 608 HA ARG 82 HA ARG 82 -6.806 5.004 11.868 609 HB2 ARG 82 1HB ARG 82 -5.784 6.101 9.221 610 HB3 ARG 82 2HB ARG 82 -7.233 5.146 9.259 611 HG2 ARG 82 1HG ARG 82 -7.390 7.084 11.405 612 HG3 ARG 82 2HG ARG 82 -6.944 7.932 9.964 613 HD2 ARG 82 1HD ARG 82 -8.940 7.520 8.874 614 HD3 ARG 82 2HD ARG 82 -9.188 5.984 9.706 615 HE ARG 82 HE ARG 82 -9.354 8.427 11.360 616 HH11 ARG 82 1HH1 ARG 82 -11.284 6.065 9.551 617 HH12 ARG 82 2HH1 ARG 82 -12.506 5.922 10.797 618 HH21 ARG 82 1HH2 ARG 82 -11.046 8.315 12.925 619 HH22 ARG 82 2HH2 ARG 82 -12.270 7.092 12.740 620 H LYS 83 H LYS 83 -7.710 3.240 10.172 621 HA LYS 83 HA LYS 83 -5.781 0.990 10.357 622 HB2 LYS 83 1HB LYS 83 -8.651 1.053 11.363 623 HB3 LYS 83 2HB LYS 83 -7.599 -0.367 11.341 624 HG2 LYS 83 1HG LYS 83 -6.069 0.720 12.958 625 HG3 LYS 83 2HG LYS 83 -7.063 2.188 12.935 626 HD2 LYS 83 1HD LYS 83 -9.016 0.849 13.721 627 HD3 LYS 83 2HD LYS 83 -7.944 -0.553 13.915 628 HE2 LYS 83 1HE LYS 83 -6.583 0.683 15.550 629 HE3 LYS 83 2HE LYS 83 -7.512 2.159 15.256 630 HZ1 LYS 83 3HZ LYS 83 -8.257 1.003 17.265 631 HZ2 LYS 83 1HZ LYS 83 -8.639 -0.330 16.375 632 HZ3 LYS 83 2HZ LYS 83 -9.462 1.048 16.128 633 H PHE 84 H PHE 84 -5.501 0.839 8.088 634 HA PHE 84 HA PHE 84 -7.834 1.380 6.379 635 HB2 PHE 84 1HB PHE 84 -4.900 0.828 5.961 636 HB3 PHE 84 2HB PHE 84 -5.975 0.769 4.592 637 HD1 PHE 84 1HD PHE 84 -6.369 3.359 7.337 638 HD2 PHE 84 2HD PHE 84 -4.994 2.471 3.349 639 HE1 PHE 84 1HE PHE 84 -5.953 5.727 6.946 640 HE2 PHE 84 2HE PHE 84 -4.620 4.871 2.942 641 HZ PHE 84 HZ PHE 84 -5.059 6.519 4.768 642 H ALA 85 H ALA 85 -7.420 -1.065 8.072 643 HA ALA 85 HA ALA 85 -9.380 -2.547 6.886 644 HB1 ALA 85 1HB ALA 85 -8.428 -4.779 6.751 645 HB2 ALA 85 2HB ALA 85 -7.750 -3.706 5.526 646 HB3 ALA 85 3HB ALA 85 -6.786 -4.139 6.950 647 H ASN 86 H ASN 86 -6.790 -3.854 8.948 648 HA ASN 86 HA ASN 86 -8.423 -3.279 11.374 649 HB2 ASN 86 1HB ASN 86 -8.041 -5.888 9.937 650 HB3 ASN 86 2HB ASN 86 -8.093 -5.910 11.707 651 HD21 ASN 86 1HD2 ASN 86 -10.065 -6.491 9.195 652 HD22 ASN 86 2HD2 ASN 86 -11.572 -5.970 9.920 653 H ARG 87 H ARG 87 -5.527 -2.622 10.284 654 HA ARG 87 HA ARG 87 -4.253 -3.241 12.899 655 HB2 ARG 87 1HB ARG 87 -2.919 -3.337 10.177 656 HB3 ARG 87 2HB ARG 87 -2.100 -3.572 11.739 657 HG2 ARG 87 1HG ARG 87 -3.847 -5.494 12.097 658 HG3 ARG 87 2HG ARG 87 -4.091 -5.330 10.361 659 HD2 ARG 87 1HD ARG 87 -2.518 -7.008 10.383 660 HD3 ARG 87 2HD ARG 87 -1.457 -5.602 10.258 661 HE ARG 87 HE ARG 87 -0.661 -6.033 12.375 662 HH11 ARG 87 1HH1 ARG 87 -3.748 -7.825 12.043 663 HH12 ARG 87 2HH1 ARG 87 -3.367 -9.023 13.178 664 HH21 ARG 87 1HH2 ARG 87 -0.273 -7.501 14.201 665 HH22 ARG 87 2HH2 ARG 87 -1.508 -8.662 14.603 666 H VAL 88 H VAL 88 -2.184 -1.812 13.004 667 HA VAL 88 HA VAL 88 -3.332 0.917 12.837 668 HB VAL 88 HB VAL 88 -0.744 0.145 14.230 669 HG11 VAL 88 1HG1 VAL 88 -1.011 2.532 13.845 670 HG12 VAL 88 2HG1 VAL 88 -2.621 2.498 14.597 671 HG13 VAL 88 3HG1 VAL 88 -1.162 2.152 15.560 672 HG21 VAL 88 3HG2 VAL 88 -3.564 0.177 15.392 673 HG22 VAL 88 1HG2 VAL 88 -2.527 -1.254 15.217 674 HG23 VAL 88 2HG2 VAL 88 -2.063 0.034 16.335 675 H VAL 89 H VAL 89 -2.979 1.988 11.025 676 HA VAL 89 HA VAL 89 -0.709 1.485 9.305 677 HB VAL 89 HB VAL 89 -2.904 3.625 9.347 678 HG11 VAL 89 1HG1 VAL 89 -1.070 4.401 7.962 679 HG12 VAL 89 2HG1 VAL 89 -1.070 2.851 7.075 680 HG13 VAL 89 3HG1 VAL 89 -2.477 3.955 6.991 681 HG21 VAL 89 3HG2 VAL 89 -3.799 1.301 9.093 682 HG22 VAL 89 1HG2 VAL 89 -3.979 2.247 7.618 683 HG23 VAL 89 2HG2 VAL 89 -2.688 1.025 7.738 684 H VAL 90 H VAL 90 1.226 2.391 9.461 685 HA VAL 90 HA VAL 90 1.534 5.024 10.809 686 HB VAL 90 HB VAL 90 2.896 3.405 11.927 687 HG11 VAL 90 1HG1 VAL 90 3.175 1.739 10.078 688 HG12 VAL 90 2HG1 VAL 90 4.346 2.835 9.332 689 HG13 VAL 90 3HG1 VAL 90 4.675 2.130 10.930 690 HG21 VAL 90 3HG2 VAL 90 4.977 4.534 11.911 691 HG22 VAL 90 1HG2 VAL 90 4.845 4.984 10.205 692 HG23 VAL 90 2HG2 VAL 90 3.813 5.760 11.408 693 H THR 91 H THR 91 3.045 6.474 9.588 694 HA THR 91 HA THR 91 2.618 6.305 6.681 695 HB THR 91 HB THR 91 2.119 8.818 7.060 696 HG1 THR 91 1HG THR 91 1.369 9.188 9.309 697 HG21 THR 91 3HG2 THR 91 -0.223 8.458 7.700 698 HG22 THR 91 1HG2 THR 91 0.153 6.816 8.260 699 HG23 THR 91 2HG2 THR 91 0.318 7.241 6.543 700 H LYS 92 H LYS 92 4.031 7.777 5.524 701 HA LYS 92 HA LYS 92 6.356 9.108 6.622 702 HB2 LYS 92 1HB LYS 92 6.418 6.409 5.237 703 HB3 LYS 92 2HB LYS 92 7.540 7.620 4.651 704 HG2 LYS 92 1HG LYS 92 8.528 7.878 6.877 705 HG3 LYS 92 2HG LYS 92 7.438 6.615 7.511 706 HD2 LYS 92 1HD LYS 92 8.341 4.998 5.898 707 HD3 LYS 92 2HD LYS 92 9.383 6.250 5.186 708 HE2 LYS 92 1HE LYS 92 10.595 6.502 7.302 709 HE3 LYS 92 2HE LYS 92 9.524 5.329 8.087 710 HZ1 LYS 92 3HZ LYS 92 11.290 4.696 5.789 711 HZ2 LYS 92 1HZ LYS 92 10.315 3.657 6.568 712 HZ3 LYS 92 2HZ LYS 92 11.564 4.298 7.401 713 H TYR 93 H TYR 93 7.293 10.345 4.748 714 HA TYR 93 HA TYR 93 5.568 10.563 2.351 715 HB2 TYR 93 1HB TYR 93 8.051 11.991 3.336 716 HB3 TYR 93 2HB TYR 93 7.412 12.221 1.704 717 HD1 TYR 93 2HD TYR 93 4.645 12.757 1.802 718 HD2 TYR 93 1HD TYR 93 7.579 13.704 4.828 719 HE1 TYR 93 2HE TYR 93 3.155 14.469 2.682 720 HE2 TYR 93 1HE TYR 93 6.067 15.446 5.735 721 HH TYR 93 HH TYR 93 3.966 16.426 5.605 722 H CYS 94 H CYS 94 6.415 9.740 0.316 723 HA CYS 94 HA CYS 94 8.736 7.880 0.526 724 HB2 CYS 94 1HB CYS 94 6.194 7.281 -0.423 725 HB3 CYS 94 2HB CYS 94 7.014 7.766 -1.902 726 HG CYS 94 HG CYS 94 7.273 5.261 -1.944 727 H ASP 95 H ASP 95 9.253 7.780 -2.245 728 HA ASP 95 HA ASP 95 9.717 10.575 -3.130 729 HB2 ASP 95 1HB ASP 95 11.346 8.089 -3.796 730 HB3 ASP 95 2HB ASP 95 11.427 9.614 -4.681 731 HA PRO 96 HA PRO 96 6.761 9.038 -6.141 732 HB2 PRO 96 1HB PRO 96 6.781 10.998 -8.015 733 HB3 PRO 96 2HB PRO 96 6.172 11.304 -6.360 734 HG2 PRO 96 1HG PRO 96 8.895 11.875 -7.465 735 HG3 PRO 96 2HG PRO 96 7.877 12.976 -6.508 736 HD2 PRO 96 1HD PRO 96 9.854 11.551 -5.332 737 HD3 PRO 96 2HD PRO 96 8.277 11.842 -4.514 738 H ASP 97 H ASP 97 10.128 9.654 -6.978 739 HA ASP 97 HA ASP 97 10.154 8.766 -9.668 740 HB2 ASP 97 1HB ASP 97 12.090 9.536 -7.852 741 HB3 ASP 97 2HB ASP 97 12.408 7.792 -7.980 742 H SER 98 H SER 98 10.899 6.910 -6.744 743 HA SER 98 HA SER 98 10.805 4.361 -7.823 744 HB2 SER 98 1HB SER 98 10.427 5.259 -4.938 745 HB3 SER 98 2HB SER 98 11.098 3.714 -5.497 746 HG SER 98 HG SER 98 12.863 4.819 -6.342 747 H TYR 99 H TYR 99 8.195 6.416 -7.481 748 HA TYR 99 HA TYR 99 6.238 4.529 -6.354 749 HB2 TYR 99 1HB TYR 99 6.213 6.945 -5.681 750 HB3 TYR 99 2HB TYR 99 5.816 7.382 -7.347 751 HD1 TYR 99 2HD TYR 99 3.554 6.898 -8.343 752 HD2 TYR 99 1HD TYR 99 4.543 6.150 -4.216 753 HE1 TYR 99 2HE TYR 99 1.285 6.157 -7.977 754 HE2 TYR 99 1HE TYR 99 2.185 5.746 -3.781 755 HH TYR 99 HH TYR 99 0.203 4.935 -4.727 756 H HIS 100 H HIS 100 6.869 6.456 -9.262 757 HA HIS 100 HA HIS 100 4.823 5.288 -10.929 758 HB2 HIS 100 1HB HIS 100 7.467 6.663 -11.624 759 HB3 HIS 100 2HB HIS 100 6.141 6.362 -12.744 760 HD1 HIS 100 1HD HIS 100 7.293 8.912 -10.232 761 HD2 HIS 100 2HD HIS 100 3.662 7.637 -11.854 762 HE1 HIS 100 1HE HIS 100 5.782 10.919 -10.168 763 H ARG 101 H ARG 101 8.323 4.733 -10.396 764 HA ARG 101 HA ARG 101 8.376 2.449 -12.256 765 HB2 ARG 101 1HB ARG 101 10.467 3.556 -10.309 766 HB3 ARG 101 2HB ARG 101 10.714 2.196 -11.409 767 HG2 ARG 101 1HG ARG 101 9.932 3.876 -13.285 768 HG3 ARG 101 2HG ARG 101 10.348 5.125 -12.088 769 HD2 ARG 101 1HD ARG 101 12.627 4.117 -11.912 770 HD3 ARG 101 2HD ARG 101 12.149 2.888 -13.088 771 HE ARG 101 HE ARG 101 11.699 5.452 -14.200 772 HH11 ARG 101 1HH1 ARG 101 14.422 3.414 -13.183 773 HH12 ARG 101 2HH1 ARG 101 15.571 4.203 -14.199 774 HH21 ARG 101 1HH2 ARG 101 13.229 6.448 -15.580 775 HH22 ARG 101 2HH2 ARG 101 14.864 5.867 -15.676 776 H ARG 102 H ARG 102 9.465 0.457 -11.233 777 HA ARG 102 HA ARG 102 7.812 -0.422 -8.934 778 HB2 ARG 102 1HB ARG 102 7.282 -1.581 -10.996 779 HB3 ARG 102 2HB ARG 102 8.974 -2.023 -11.250 780 HG2 ARG 102 1HG ARG 102 8.953 -3.646 -9.597 781 HG3 ARG 102 2HG ARG 102 7.794 -2.776 -8.584 782 HD2 ARG 102 1HD ARG 102 6.010 -3.271 -10.233 783 HD3 ARG 102 2HD ARG 102 7.168 -4.215 -11.168 784 HE ARG 102 HE ARG 102 6.956 -5.054 -8.377 785 HH11 ARG 102 1HH1 ARG 102 6.023 -5.925 -11.618 786 HH12 ARG 102 2HH1 ARG 102 4.595 -6.815 -11.166 787 HH21 ARG 102 1HH2 ARG 102 5.280 -6.685 -7.765 788 HH22 ARG 102 2HH2 ARG 102 4.180 -7.208 -8.973 789 H ASP 103 H ASP 103 9.537 0.956 -7.923 790 HA ASP 103 HA ASP 103 11.758 -0.920 -7.230 791 HB2 ASP 103 1HB ASP 103 12.643 1.173 -8.312 792 HB3 ASP 103 2HB ASP 103 12.021 2.065 -6.956 793 H PHE 104 H PHE 104 10.172 -1.880 -5.988 794 HA PHE 104 HA PHE 104 9.408 -0.437 -3.508 795 HB2 PHE 104 1HB PHE 104 8.353 -3.121 -4.403 796 HB3 PHE 104 2HB PHE 104 7.676 -1.999 -3.233 797 HD1 PHE 104 1HD PHE 104 7.760 0.589 -4.855 798 HD2 PHE 104 2HD PHE 104 6.598 -3.408 -5.969 799 HE1 PHE 104 1HE PHE 104 6.429 1.496 -6.724 800 HE2 PHE 104 2HE PHE 104 5.229 -2.480 -7.822 801 HZ PHE 104 HZ PHE 104 5.129 -0.020 -8.193 802 H TRP 105 H TRP 105 10.890 -0.713 -2.017 803 HA TRP 105 HA TRP 105 12.102 -3.266 -1.431 804 HB2 TRP 105 1HB TRP 105 13.765 -1.960 -2.916 805 HB3 TRP 105 2HB TRP 105 13.887 -0.799 -1.605 806 HD1 TRP 105 HD TRP 105 14.275 -4.598 -2.125 807 HE1 TRP 105 1HE TRP 105 16.299 -5.467 -0.860 808 HE3 TRP 105 3HE TRP 105 15.668 -0.260 0.210 809 HZ2 TRP 105 2HZ TRP 105 18.343 -4.393 0.885 810 HZ3 TRP 105 3HZ TRP 105 17.711 -0.206 1.645 811 HH2 TRP 105 HH TRP 105 19.072 -2.262 1.954 Start of MODEL 13 1 H1 GLY 1 H GLY 1 13.943 13.850 5.068 2 HA2 GLY 1 1HA GLY 1 14.932 11.055 4.890 3 HA3 GLY 1 2HA GLY 1 13.338 11.598 4.325 4 H GLY 2 H GLY 2 13.199 12.093 2.220 5 HA2 GLY 2 1HA GLY 2 15.459 13.507 0.888 6 HA3 GLY 2 2HA GLY 2 14.069 12.774 0.048 7 H HIS 3 H HIS 3 12.059 13.829 0.101 8 HA HIS 3 HA HIS 3 11.696 16.363 1.606 9 HB2 HIS 3 1HB HIS 3 11.005 17.330 -0.679 10 HB3 HIS 3 2HB HIS 3 12.714 17.185 -0.307 11 HD1 HIS 3 1HD HIS 3 13.960 14.999 -1.595 12 HD2 HIS 3 2HD HIS 3 10.315 16.535 -3.038 13 HE1 HIS 3 1HE HIS 3 13.736 14.176 -3.977 14 HA PRO 4 HA PRO 4 7.398 15.038 1.449 15 HB2 PRO 4 1HB PRO 4 6.084 17.463 0.963 16 HB3 PRO 4 2HB PRO 4 6.585 16.902 2.573 17 HG2 PRO 4 1HG PRO 4 7.898 18.918 0.776 18 HG3 PRO 4 2HG PRO 4 7.932 18.835 2.564 19 HD2 PRO 4 1HD PRO 4 10.023 18.117 0.971 20 HD3 PRO 4 2HD PRO 4 9.768 17.513 2.615 21 H THR 5 H THR 5 6.133 14.286 -0.217 22 HA THR 5 HA THR 5 6.236 15.534 -2.867 23 HB THR 5 HB THR 5 6.811 13.428 -3.952 24 HG1 THR 5 1HG THR 5 7.715 11.959 -1.951 25 HG21 THR 5 3HG2 THR 5 8.868 13.831 -1.727 26 HG22 THR 5 1HG2 THR 5 8.718 14.880 -3.164 27 HG23 THR 5 2HG2 THR 5 9.159 13.184 -3.340 28 H GLU 6 H GLU 6 4.476 14.219 -4.275 29 HA GLU 6 HA GLU 6 2.028 14.251 -2.752 30 HB2 GLU 6 1HB GLU 6 0.949 13.786 -4.871 31 HB3 GLU 6 2HB GLU 6 2.060 15.116 -4.962 32 HG2 GLU 6 1HG GLU 6 3.785 13.628 -5.982 33 HG3 GLU 6 2HG GLU 6 2.579 12.306 -5.992 34 H VAL 7 H VAL 7 4.367 11.886 -2.824 35 HA VAL 7 HA VAL 7 2.514 9.616 -3.131 36 HB VAL 7 HB VAL 7 5.565 9.623 -3.138 37 HG11 VAL 7 1HG1 VAL 7 5.311 7.497 -4.239 38 HG12 VAL 7 2HG1 VAL 7 4.389 7.435 -2.731 39 HG13 VAL 7 3HG1 VAL 7 3.539 7.649 -4.285 40 HG21 VAL 7 3HG2 VAL 7 3.600 10.346 -5.279 41 HG22 VAL 7 1HG2 VAL 7 5.215 10.991 -4.941 42 HG23 VAL 7 2HG2 VAL 7 5.001 9.395 -5.732 43 H LEU 8 H LEU 8 1.606 9.383 -1.144 44 HA LEU 8 HA LEU 8 3.176 9.638 1.328 45 HB2 LEU 8 1HB LEU 8 0.445 9.808 0.610 46 HB3 LEU 8 2HB LEU 8 0.552 8.292 1.504 47 HG LEU 8 HG LEU 8 1.345 11.040 2.505 48 HD11 LEU 8 1HD1 LEU 8 -0.867 9.088 3.267 49 HD12 LEU 8 2HD1 LEU 8 -1.066 10.573 2.308 50 HD13 LEU 8 3HD1 LEU 8 -0.579 10.679 3.985 51 HD21 LEU 8 3HD2 LEU 8 1.675 9.844 4.683 52 HD22 LEU 8 1HD2 LEU 8 2.895 9.493 3.506 53 HD23 LEU 8 2HD2 LEU 8 1.608 8.287 3.819 54 H CYS 9 H CYS 9 4.267 7.852 2.253 55 HA CYS 9 HA CYS 9 3.727 5.127 1.155 56 HB2 CYS 9 1HB CYS 9 6.102 5.838 1.279 57 HB3 CYS 9 2HB CYS 9 5.930 6.123 3.019 58 HG CYS 9 HG CYS 9 5.519 3.316 1.275 59 H LEU 10 H LEU 10 2.225 3.960 2.344 60 HA LEU 10 HA LEU 10 2.127 4.496 5.236 61 HB2 LEU 10 1HB LEU 10 -0.321 3.373 4.315 62 HB3 LEU 10 2HB LEU 10 0.024 4.722 5.360 63 HG LEU 10 HG LEU 10 0.451 6.019 3.053 64 HD11 LEU 10 1HD1 LEU 10 -1.446 4.934 1.474 65 HD12 LEU 10 2HD1 LEU 10 -0.945 3.447 2.241 66 HD13 LEU 10 3HD1 LEU 10 0.244 4.419 1.361 67 HD21 LEU 10 3HD2 LEU 10 -1.146 6.534 4.724 68 HD22 LEU 10 1HD2 LEU 10 -2.234 5.236 4.153 69 HD23 LEU 10 2HD2 LEU 10 -1.882 6.648 3.108 70 H MET 11 H MET 11 2.926 2.898 6.307 71 HA MET 11 HA MET 11 3.249 0.210 5.093 72 HB2 MET 11 1HB MET 11 4.293 1.472 7.669 73 HB3 MET 11 2HB MET 11 4.603 -0.187 7.201 74 HG2 MET 11 1HG MET 11 6.278 0.383 5.864 75 HG3 MET 11 2HG MET 11 5.267 1.482 4.933 76 HE1 MET 11 3HE MET 11 4.912 4.025 5.491 77 HE2 MET 11 1HE MET 11 4.495 3.681 7.196 78 HE3 MET 11 2HE MET 11 5.726 4.890 6.809 79 H ASN 12 H ASN 12 2.772 -1.687 6.435 80 HA ASN 12 HA ASN 12 1.620 -3.031 7.785 81 HB2 ASN 12 1HB ASN 12 0.618 -0.629 9.335 82 HB3 ASN 12 2HB ASN 12 0.669 -2.285 9.857 83 HD21 ASN 12 1HD2 ASN 12 1.770 0.083 11.078 84 HD22 ASN 12 2HD2 ASN 12 3.337 -0.536 11.576 85 H MET 13 H MET 13 0.283 -1.450 5.459 86 HA MET 13 HA MET 13 -2.509 -1.335 6.078 87 HB2 MET 13 1HB MET 13 -0.891 -0.692 3.860 88 HB3 MET 13 2HB MET 13 -1.872 -2.015 3.287 89 HG2 MET 13 1HG MET 13 -3.465 -0.521 2.863 90 HG3 MET 13 2HG MET 13 -3.727 -0.408 4.599 91 HE1 MET 13 3HE MET 13 -2.247 0.879 6.060 92 HE2 MET 13 1HE MET 13 -0.679 1.251 5.322 93 HE3 MET 13 2HE MET 13 -1.800 2.570 5.759 94 H VAL 14 H VAL 14 -0.567 -3.826 4.329 95 HA VAL 14 HA VAL 14 -2.798 -5.726 4.667 96 HB VAL 14 HB VAL 14 -2.063 -6.567 2.426 97 HG11 VAL 14 1HG1 VAL 14 -2.962 -4.613 1.145 98 HG12 VAL 14 2HG1 VAL 14 -3.962 -5.157 2.498 99 HG13 VAL 14 3HG1 VAL 14 -3.007 -3.686 2.638 100 HG21 VAL 14 3HG2 VAL 14 -0.151 -4.198 2.536 101 HG22 VAL 14 1HG2 VAL 14 0.223 -5.916 2.320 102 HG23 VAL 14 2HG2 VAL 14 -0.625 -5.030 1.049 103 H LEU 15 H LEU 15 -2.274 -7.953 4.478 104 HA LEU 15 HA LEU 15 0.373 -8.834 5.561 105 HB2 LEU 15 1HB LEU 15 -2.238 -10.374 5.241 106 HB3 LEU 15 2HB LEU 15 -0.806 -10.918 6.087 107 HG LEU 15 HG LEU 15 -2.604 -8.646 6.962 108 HD11 LEU 15 1HD1 LEU 15 -3.252 -10.244 8.751 109 HD12 LEU 15 2HD1 LEU 15 -2.255 -11.499 7.975 110 HD13 LEU 15 3HD1 LEU 15 -3.664 -10.833 7.151 111 HD21 LEU 15 3HD2 LEU 15 -1.277 -8.728 9.074 112 HD22 LEU 15 1HD2 LEU 15 -0.321 -8.194 7.699 113 HD23 LEU 15 2HD2 LEU 15 -0.147 -9.858 8.299 114 HA PRO 16 HA PRO 16 1.083 -10.829 1.574 115 HB2 PRO 16 1HB PRO 16 2.565 -13.044 2.205 116 HB3 PRO 16 2HB PRO 16 3.184 -11.380 2.374 117 HG2 PRO 16 1HG PRO 16 1.928 -13.117 4.529 118 HG3 PRO 16 2HG PRO 16 3.494 -12.238 4.608 119 HD2 PRO 16 1HD PRO 16 1.227 -11.197 5.652 120 HD3 PRO 16 2HD PRO 16 2.401 -10.153 4.812 121 H GLU 17 H GLU 17 -1.255 -11.927 3.667 122 HA GLU 17 HA GLU 17 -1.824 -14.408 2.141 123 HB2 GLU 17 1HB GLU 17 -2.678 -15.406 4.162 124 HB3 GLU 17 2HB GLU 17 -0.970 -14.989 4.251 125 HG2 GLU 17 1HG GLU 17 -1.579 -12.925 5.550 126 HG3 GLU 17 2HG GLU 17 -3.254 -13.459 5.561 127 H GLU 18 H GLU 18 -2.766 -11.410 2.027 128 HA GLU 18 HA GLU 18 -5.628 -12.086 1.669 129 HB2 GLU 18 1HB GLU 18 -6.321 -10.116 2.841 130 HB3 GLU 18 2HB GLU 18 -5.356 -11.178 3.881 131 HG2 GLU 18 1HG GLU 18 -3.362 -9.662 3.346 132 HG3 GLU 18 2HG GLU 18 -4.495 -8.544 2.605 133 H LEU 19 H LEU 19 -3.320 -11.746 -0.120 134 HA LEU 19 HA LEU 19 -4.296 -9.570 -1.916 135 HB2 LEU 19 1HB LEU 19 -1.416 -10.221 -1.229 136 HB3 LEU 19 2HB LEU 19 -1.959 -9.063 -2.465 137 HG LEU 19 HG LEU 19 -2.565 -8.701 0.485 138 HD11 LEU 19 1HD1 LEU 19 -0.660 -7.240 0.611 139 HD12 LEU 19 2HD1 LEU 19 -0.263 -7.484 -1.093 140 HD13 LEU 19 3HD1 LEU 19 -0.101 -8.804 0.099 141 HD21 LEU 19 3HD2 LEU 19 -4.002 -7.465 -1.158 142 HD22 LEU 19 1HD2 LEU 19 -2.556 -6.780 -1.909 143 HD23 LEU 19 2HD2 LEU 19 -2.978 -6.380 -0.228 144 H LEU 20 H LEU 20 -5.023 -12.293 -2.036 145 HA LEU 20 HA LEU 20 -3.330 -13.411 -4.230 146 HB2 LEU 20 1HB LEU 20 -4.991 -14.990 -2.246 147 HB3 LEU 20 2HB LEU 20 -4.034 -15.619 -3.560 148 HG LEU 20 HG LEU 20 -2.748 -16.137 -1.779 149 HD11 LEU 20 1HD1 LEU 20 -1.520 -13.412 -2.336 150 HD12 LEU 20 2HD1 LEU 20 -1.445 -14.804 -3.448 151 HD13 LEU 20 3HD1 LEU 20 -0.724 -14.902 -1.816 152 HD21 LEU 20 3HD2 LEU 20 -3.332 -13.469 -0.449 153 HD22 LEU 20 1HD2 LEU 20 -2.224 -14.719 0.141 154 HD23 LEU 20 2HD2 LEU 20 -3.955 -15.053 0.004 155 H ASP 21 H ASP 21 -6.342 -11.978 -3.545 156 HA ASP 21 HA ASP 21 -7.503 -13.309 -5.942 157 HB2 ASP 21 1HB ASP 21 -8.723 -12.661 -3.311 158 HB3 ASP 21 2HB ASP 21 -9.660 -12.138 -4.712 159 H ASP 22 H ASP 22 -7.820 -12.112 -7.646 160 HA ASP 22 HA ASP 22 -7.139 -9.285 -7.635 161 HB2 ASP 22 1HB ASP 22 -8.038 -11.287 -9.736 162 HB3 ASP 22 2HB ASP 22 -7.962 -9.572 -10.092 163 H GLU 23 H GLU 23 -10.073 -11.008 -7.036 164 HA GLU 23 HA GLU 23 -11.909 -8.953 -7.998 165 HB2 GLU 23 1HB GLU 23 -12.225 -11.395 -6.211 166 HB3 GLU 23 2HB GLU 23 -13.562 -10.285 -6.595 167 HG2 GLU 23 1HG GLU 23 -13.272 -10.710 -8.993 168 HG3 GLU 23 2HG GLU 23 -11.891 -11.733 -8.683 169 H GLU 24 H GLU 24 -10.864 -10.086 -4.719 170 HA GLU 24 HA GLU 24 -12.097 -8.066 -3.233 171 HB2 GLU 24 1HB GLU 24 -11.553 -10.064 -2.163 172 HB3 GLU 24 2HB GLU 24 -9.939 -10.150 -2.878 173 HG2 GLU 24 1HG GLU 24 -9.142 -8.404 -1.438 174 HG3 GLU 24 2HG GLU 24 -10.747 -8.218 -0.688 175 H TYR 25 H TYR 25 -8.877 -8.226 -4.701 176 HA TYR 25 HA TYR 25 -7.602 -6.099 -3.521 177 HB2 TYR 25 1HB TYR 25 -6.638 -7.751 -5.055 178 HB3 TYR 25 2HB TYR 25 -7.524 -7.071 -6.406 179 HD1 TYR 25 2HD TYR 25 -6.937 -4.772 -7.246 180 HD2 TYR 25 1HD TYR 25 -4.537 -6.850 -4.313 181 HE1 TYR 25 2HE TYR 25 -5.075 -3.274 -7.747 182 HE2 TYR 25 1HE TYR 25 -2.644 -5.330 -4.805 183 HH TYR 25 HH TYR 25 -2.894 -2.790 -7.333 184 H GLU 26 H GLU 26 -9.965 -5.854 -6.307 185 HA GLU 26 HA GLU 26 -9.301 -3.068 -6.764 186 HB2 GLU 26 1HB GLU 26 -10.934 -5.247 -7.966 187 HB3 GLU 26 2HB GLU 26 -11.736 -3.715 -8.011 188 HG2 GLU 26 1HG GLU 26 -8.908 -4.265 -9.094 189 HG3 GLU 26 2HG GLU 26 -10.378 -4.278 -10.063 190 H GLU 27 H GLU 27 -11.800 -4.918 -5.071 191 HA GLU 27 HA GLU 27 -13.594 -2.778 -4.484 192 HB2 GLU 27 1HB GLU 27 -13.005 -5.193 -2.725 193 HB3 GLU 27 2HB GLU 27 -14.446 -4.179 -2.713 194 HG2 GLU 27 1HG GLU 27 -13.550 -6.061 -4.920 195 HG3 GLU 27 2HG GLU 27 -14.874 -6.287 -3.772 196 H ILE 28 H ILE 28 -10.815 -4.156 -2.699 197 HA ILE 28 HA ILE 28 -10.977 -2.322 -0.488 198 HB ILE 28 HB ILE 28 -8.785 -4.129 -1.588 199 HG12 ILE 28 1HG1 ILE 28 -10.549 -4.255 0.932 200 HG13 ILE 28 2HG1 ILE 28 -10.857 -5.148 -0.565 201 HG21 ILE 28 1HG2 ILE 28 -7.667 -2.247 -0.407 202 HG22 ILE 28 2HG2 ILE 28 -8.739 -2.473 0.992 203 HG23 ILE 28 3HG2 ILE 28 -7.546 -3.713 0.549 204 HD11 ILE 28 3HD1 ILE 28 -9.837 -6.661 0.981 205 HD12 ILE 28 1HD1 ILE 28 -8.649 -6.311 -0.290 206 HD13 ILE 28 2HD1 ILE 28 -8.512 -5.556 1.320 207 H VAL 29 H VAL 29 -9.179 -2.175 -3.631 208 HA VAL 29 HA VAL 29 -7.790 0.228 -3.017 209 HB VAL 29 HB VAL 29 -8.727 -1.023 -5.599 210 HG11 VAL 29 1HG1 VAL 29 -7.158 1.569 -5.294 211 HG12 VAL 29 2HG1 VAL 29 -7.227 0.612 -6.783 212 HG13 VAL 29 3HG1 VAL 29 -8.707 1.332 -6.145 213 HG21 VAL 29 3HG2 VAL 29 -6.785 -2.014 -4.273 214 HG22 VAL 29 1HG2 VAL 29 -6.360 -1.504 -5.907 215 HG23 VAL 29 2HG2 VAL 29 -5.918 -0.493 -4.511 216 H GLU 30 H GLU 30 -11.150 -0.171 -4.406 217 HA GLU 30 HA GLU 30 -11.370 2.722 -4.485 218 HB2 GLU 30 1HB GLU 30 -13.540 0.580 -4.783 219 HB3 GLU 30 2HB GLU 30 -13.760 2.306 -5.072 220 HG2 GLU 30 1HG GLU 30 -11.548 1.686 -6.660 221 HG3 GLU 30 2HG GLU 30 -12.576 0.265 -6.824 222 H ASP 31 H ASP 31 -12.293 0.311 -2.154 223 HA ASP 31 HA ASP 31 -13.933 2.065 -0.563 224 HB2 ASP 31 1HB ASP 31 -14.007 -0.337 -0.196 225 HB3 ASP 31 2HB ASP 31 -12.320 -0.358 0.283 226 H VAL 32 H VAL 32 -10.462 1.344 -0.591 227 HA VAL 32 HA VAL 32 -9.946 2.910 1.886 228 HB VAL 32 HB VAL 32 -8.029 1.708 -0.187 229 HG11 VAL 32 1HG1 VAL 32 -6.299 2.093 1.613 230 HG12 VAL 32 2HG1 VAL 32 -6.916 3.599 0.927 231 HG13 VAL 32 3HG1 VAL 32 -7.495 3.047 2.507 232 HG21 VAL 32 3HG2 VAL 32 -7.644 -0.077 1.336 233 HG22 VAL 32 1HG2 VAL 32 -8.449 0.769 2.669 234 HG23 VAL 32 2HG2 VAL 32 -9.406 0.098 1.335 235 H ARG 33 H ARG 33 -9.602 3.339 -1.695 236 HA ARG 33 HA ARG 33 -8.353 5.868 -1.613 237 HB2 ARG 33 1HB ARG 33 -8.741 4.519 -3.674 238 HB3 ARG 33 2HB ARG 33 -10.472 4.793 -3.543 239 HG2 ARG 33 1HG ARG 33 -9.113 7.358 -3.507 240 HG3 ARG 33 2HG ARG 33 -8.445 6.393 -4.814 241 HD2 ARG 33 1HD ARG 33 -10.299 7.780 -5.581 242 HD3 ARG 33 2HD ARG 33 -10.611 6.052 -5.752 243 HE ARG 33 HE ARG 33 -11.683 7.431 -3.349 244 HH11 ARG 33 1HH1 ARG 33 -12.300 5.759 -6.434 245 HH12 ARG 33 2HH1 ARG 33 -14.029 5.807 -6.235 246 HH21 ARG 33 1HH2 ARG 33 -14.143 7.409 -3.101 247 HH22 ARG 33 2HH2 ARG 33 -14.965 6.673 -4.434 248 H ASP 34 H ASP 34 -11.773 5.021 -0.842 249 HA ASP 34 HA ASP 34 -12.510 7.827 -0.911 250 HB2 ASP 34 1HB ASP 34 -13.968 5.565 -0.762 251 HB3 ASP 34 2HB ASP 34 -14.045 6.038 0.918 252 H GLU 35 H GLU 35 -11.184 5.663 1.552 253 HA GLU 35 HA GLU 35 -11.974 7.380 3.685 254 HB2 GLU 35 1HB GLU 35 -10.939 5.935 5.137 255 HB3 GLU 35 2HB GLU 35 -11.047 4.868 3.767 256 HG2 GLU 35 1HG GLU 35 -8.654 5.099 3.315 257 HG3 GLU 35 2HG GLU 35 -8.540 6.428 4.508 258 H CYS 36 H CYS 36 -9.010 7.029 1.672 259 HA CYS 36 HA CYS 36 -7.815 9.368 2.831 260 HB2 CYS 36 1HB CYS 36 -6.180 8.858 0.821 261 HB3 CYS 36 2HB CYS 36 -6.129 8.008 2.365 262 HG CYS 36 HG CYS 36 -5.573 6.326 0.507 263 H SER 37 H SER 37 -10.027 8.980 0.193 264 HA SER 37 HA SER 37 -9.672 11.313 -1.315 265 HB2 SER 37 1HB SER 37 -11.450 9.546 -1.655 266 HB3 SER 37 2HB SER 37 -12.309 10.176 -0.247 267 HG SER 37 HG SER 37 -13.247 11.001 -2.059 268 H LYS 38 H LYS 38 -10.707 10.979 2.024 269 HA LYS 38 HA LYS 38 -12.029 13.462 2.373 270 HB2 LYS 38 1HB LYS 38 -10.457 11.719 4.306 271 HB3 LYS 38 2HB LYS 38 -11.479 13.085 4.796 272 HG2 LYS 38 1HG LYS 38 -13.426 12.034 3.714 273 HG3 LYS 38 2HG LYS 38 -12.447 10.661 3.195 274 HD2 LYS 38 1HD LYS 38 -12.468 9.662 5.222 275 HD3 LYS 38 2HD LYS 38 -12.246 11.172 6.093 276 HE2 LYS 38 1HE LYS 38 -14.683 11.742 5.403 277 HE3 LYS 38 2HE LYS 38 -14.823 10.038 4.936 278 HZ1 LYS 38 3HZ LYS 38 -14.244 9.475 7.231 279 HZ2 LYS 38 1HZ LYS 38 -15.597 10.408 7.141 280 HZ3 LYS 38 2HZ LYS 38 -14.148 11.060 7.623 281 H TYR 39 H TYR 39 -8.621 12.886 1.876 282 HA TYR 39 HA TYR 39 -7.987 15.685 2.681 283 HB2 TYR 39 1HB TYR 39 -6.234 13.273 2.903 284 HB3 TYR 39 2HB TYR 39 -5.847 14.897 3.456 285 HD1 TYR 39 2HD TYR 39 -7.896 11.846 4.130 286 HD2 TYR 39 1HD TYR 39 -6.628 15.685 5.657 287 HE1 TYR 39 2HE TYR 39 -9.026 11.365 6.254 288 HE2 TYR 39 1HE TYR 39 -7.665 15.146 7.840 289 HH TYR 39 HH TYR 39 -9.942 13.542 8.334 290 H GLY 40 H GLY 40 -8.951 15.081 0.256 291 HA2 GLY 40 1HA GLY 40 -8.028 16.707 -1.411 292 HA3 GLY 40 2HA GLY 40 -6.585 15.693 -1.460 293 H LEU 41 H LEU 41 -6.491 14.322 -3.074 294 HA LEU 41 HA LEU 41 -8.755 12.808 -4.033 295 HB2 LEU 41 1HB LEU 41 -9.009 14.913 -5.263 296 HB3 LEU 41 2HB LEU 41 -7.353 14.874 -5.715 297 HG LEU 41 HG LEU 41 -8.759 14.309 -7.593 298 HD11 LEU 41 1HD1 LEU 41 -6.637 12.915 -7.368 299 HD12 LEU 41 2HD1 LEU 41 -7.912 12.300 -8.439 300 HD13 LEU 41 3HD1 LEU 41 -7.708 11.593 -6.854 301 HD21 LEU 41 3HD2 LEU 41 -10.340 12.493 -7.638 302 HD22 LEU 41 1HD2 LEU 41 -10.694 13.505 -6.227 303 HD23 LEU 41 2HD2 LEU 41 -9.856 11.965 -6.011 304 H VAL 42 H VAL 42 -7.933 10.917 -4.052 305 HA VAL 42 HA VAL 42 -5.050 10.348 -4.034 306 HB VAL 42 HB VAL 42 -7.611 8.775 -3.742 307 HG11 VAL 42 1HG1 VAL 42 -6.031 6.854 -3.037 308 HG12 VAL 42 2HG1 VAL 42 -6.161 7.182 -4.763 309 HG13 VAL 42 3HG1 VAL 42 -4.750 7.775 -3.867 310 HG21 VAL 42 3HG2 VAL 42 -5.433 9.256 -1.694 311 HG22 VAL 42 1HG2 VAL 42 -6.932 10.189 -1.802 312 HG23 VAL 42 2HG2 VAL 42 -7.018 8.446 -1.481 313 H LYS 43 H LYS 43 -4.014 10.074 -5.872 314 HA LYS 43 HA LYS 43 -5.409 10.032 -8.427 315 HB2 LYS 43 1HB LYS 43 -3.113 11.139 -7.825 316 HB3 LYS 43 2HB LYS 43 -2.465 9.526 -8.011 317 HG2 LYS 43 1HG LYS 43 -2.116 10.216 -10.090 318 HG3 LYS 43 2HG LYS 43 -3.743 9.561 -10.324 319 HD2 LYS 43 1HD LYS 43 -4.682 11.883 -9.943 320 HD3 LYS 43 2HD LYS 43 -3.041 12.498 -9.773 321 HE2 LYS 43 1HE LYS 43 -4.180 11.098 -12.215 322 HE3 LYS 43 2HE LYS 43 -3.898 12.851 -12.053 323 HZ1 LYS 43 3HZ LYS 43 -1.496 12.225 -11.713 324 HZ2 LYS 43 1HZ LYS 43 -2.067 11.886 -13.225 325 HZ3 LYS 43 2HZ LYS 43 -1.901 10.683 -12.140 326 H SER 44 H SER 44 -3.199 7.642 -6.746 327 HA SER 44 HA SER 44 -4.927 5.495 -7.399 328 HB2 SER 44 1HB SER 44 -3.289 6.141 -9.551 329 HB3 SER 44 2HB SER 44 -2.325 4.920 -8.714 330 HG SER 44 HG SER 44 -4.377 4.567 -10.317 331 H ILE 45 H ILE 45 -3.883 3.362 -6.655 332 HA ILE 45 HA ILE 45 -2.176 3.861 -4.268 333 HB ILE 45 HB ILE 45 -4.700 2.197 -4.585 334 HG12 ILE 45 1HG1 ILE 45 -4.156 4.381 -2.531 335 HG13 ILE 45 2HG1 ILE 45 -4.762 4.786 -4.130 336 HG21 ILE 45 1HG2 ILE 45 -2.997 1.040 -3.150 337 HG22 ILE 45 2HG2 ILE 45 -2.923 2.487 -2.128 338 HG23 ILE 45 3HG2 ILE 45 -4.412 1.532 -2.232 339 HD11 ILE 45 3HD1 ILE 45 -6.151 2.949 -2.120 340 HD12 ILE 45 1HD1 ILE 45 -6.597 4.607 -2.520 341 HD13 ILE 45 2HD1 ILE 45 -6.742 3.334 -3.752 342 H GLU 46 H GLU 46 -0.367 2.849 -4.519 343 HA GLU 46 HA GLU 46 -0.106 0.496 -6.299 344 HB2 GLU 46 1HB GLU 46 1.779 2.499 -5.183 345 HB3 GLU 46 2HB GLU 46 2.379 0.858 -5.057 346 HG2 GLU 46 1HG GLU 46 1.479 2.241 -7.596 347 HG3 GLU 46 2HG GLU 46 3.117 1.805 -7.132 348 H ILE 47 H ILE 47 -0.232 -1.473 -5.583 349 HA ILE 47 HA ILE 47 0.509 -2.195 -2.825 350 HB ILE 47 HB ILE 47 -1.963 -3.403 -4.085 351 HG12 ILE 47 1HG1 ILE 47 -1.899 -0.869 -2.489 352 HG13 ILE 47 2HG1 ILE 47 -2.650 -1.184 -4.047 353 HG21 ILE 47 1HG2 ILE 47 -0.756 -4.628 -2.283 354 HG22 ILE 47 2HG2 ILE 47 -1.034 -3.242 -1.202 355 HG23 ILE 47 3HG2 ILE 47 -2.394 -4.187 -1.825 356 HD11 ILE 47 3HD1 ILE 47 -4.270 -2.724 -2.911 357 HD12 ILE 47 1HD1 ILE 47 -3.562 -2.215 -1.352 358 HD13 ILE 47 2HD1 ILE 47 -4.369 -1.027 -2.379 359 HA PRO 48 HA PRO 48 2.473 -4.288 -6.372 360 HB2 PRO 48 1HB PRO 48 4.919 -4.882 -5.276 361 HB3 PRO 48 2HB PRO 48 4.452 -3.281 -5.893 362 HG2 PRO 48 1HG PRO 48 4.318 -4.221 -3.018 363 HG3 PRO 48 2HG PRO 48 5.054 -2.706 -3.661 364 HD2 PRO 48 1HD PRO 48 2.583 -2.632 -2.674 365 HD3 PRO 48 2HD PRO 48 2.935 -1.786 -4.202 366 H ARG 49 H ARG 49 1.766 -5.690 -3.315 367 HA ARG 49 HA ARG 49 1.290 -7.675 -2.539 368 HB2 ARG 49 1HB ARG 49 0.190 -9.305 -4.316 369 HB3 ARG 49 2HB ARG 49 -0.529 -7.874 -3.597 370 HG2 ARG 49 1HG ARG 49 0.134 -6.653 -5.741 371 HG3 ARG 49 2HG ARG 49 0.421 -8.229 -6.446 372 HD2 ARG 49 1HD ARG 49 -2.167 -7.627 -4.955 373 HD3 ARG 49 2HD ARG 49 -1.905 -6.911 -6.526 374 HE ARG 49 HE ARG 49 -2.752 -9.552 -5.947 375 HH11 ARG 49 1HH1 ARG 49 -1.143 -7.539 -8.440 376 HH12 ARG 49 2HH1 ARG 49 -1.619 -8.652 -9.701 377 HH21 ARG 49 1HH2 ARG 49 -3.304 -10.892 -7.762 378 HH22 ARG 49 2HH2 ARG 49 -2.787 -10.426 -9.358 379 HA PRO 50 HA PRO 50 4.415 -10.878 -2.582 380 HB2 PRO 50 1HB PRO 50 3.062 -13.178 -2.040 381 HB3 PRO 50 2HB PRO 50 3.350 -11.897 -0.831 382 HG2 PRO 50 1HG PRO 50 0.857 -12.328 -2.505 383 HG3 PRO 50 2HG PRO 50 0.974 -12.073 -0.743 384 HD2 PRO 50 1HD PRO 50 0.398 -10.067 -2.416 385 HD3 PRO 50 2HD PRO 50 1.459 -9.815 -1.012 386 H VAL 51 H VAL 51 4.871 -13.057 -3.654 387 HA VAL 51 HA VAL 51 3.298 -13.428 -6.156 388 HB VAL 51 HB VAL 51 6.308 -13.805 -6.156 389 HG11 VAL 51 1HG1 VAL 51 4.190 -13.729 -8.337 390 HG12 VAL 51 2HG1 VAL 51 5.933 -13.747 -8.646 391 HG13 VAL 51 3HG1 VAL 51 5.167 -15.110 -7.823 392 HG21 VAL 51 3HG2 VAL 51 5.967 -11.390 -5.870 393 HG22 VAL 51 1HG2 VAL 51 6.456 -11.722 -7.525 394 HG23 VAL 51 2HG2 VAL 51 4.751 -11.368 -7.164 395 H ASP 52 H ASP 52 2.305 -15.268 -5.831 396 HA ASP 52 HA ASP 52 1.762 -17.337 -5.368 397 HB2 ASP 52 1HB ASP 52 3.542 -17.533 -7.169 398 HB3 ASP 52 2HB ASP 52 4.644 -18.057 -5.907 399 H GLY 53 H GLY 53 2.488 -15.773 -3.159 400 HA2 GLY 53 1HA GLY 53 2.142 -16.263 -0.854 401 HA3 GLY 53 2HA GLY 53 2.790 -17.884 -1.082 402 H VAL 54 H VAL 54 5.001 -16.106 -2.687 403 HA VAL 54 HA VAL 54 6.887 -16.230 -0.462 404 HB VAL 54 HB VAL 54 7.215 -15.584 -3.421 405 HG11 VAL 54 1HG1 VAL 54 9.569 -16.238 -3.104 406 HG12 VAL 54 2HG1 VAL 54 9.144 -14.799 -2.193 407 HG13 VAL 54 3HG1 VAL 54 9.286 -16.345 -1.341 408 HG21 VAL 54 3HG2 VAL 54 7.979 -17.949 -3.648 409 HG22 VAL 54 1HG2 VAL 54 7.555 -18.242 -1.945 410 HG23 VAL 54 2HG2 VAL 54 6.297 -17.867 -3.137 411 H GLU 55 H GLU 55 8.129 -14.461 0.277 412 HA GLU 55 HA GLU 55 6.946 -11.853 0.277 413 HB2 GLU 55 1HB GLU 55 8.756 -11.263 1.696 414 HB3 GLU 55 2HB GLU 55 8.275 -12.910 2.119 415 HG2 GLU 55 1HG GLU 55 10.146 -13.647 0.470 416 HG3 GLU 55 2HG GLU 55 10.695 -11.983 0.537 417 H VAL 56 H VAL 56 7.546 -10.042 -0.759 418 HA VAL 56 HA VAL 56 9.879 -9.996 -2.576 419 HB VAL 56 HB VAL 56 8.008 -8.198 -3.653 420 HG11 VAL 56 1HG1 VAL 56 8.459 -11.004 -4.726 421 HG12 VAL 56 2HG1 VAL 56 8.048 -9.552 -5.648 422 HG13 VAL 56 3HG1 VAL 56 9.647 -9.714 -4.919 423 HG21 VAL 56 3HG2 VAL 56 6.068 -9.523 -4.259 424 HG22 VAL 56 1HG2 VAL 56 6.544 -10.800 -3.148 425 HG23 VAL 56 2HG2 VAL 56 6.130 -9.166 -2.529 426 HA PRO 57 HA PRO 57 10.575 -6.079 -0.561 427 HB2 PRO 57 1HB PRO 57 11.897 -4.597 -2.418 428 HB3 PRO 57 2HB PRO 57 12.660 -5.971 -1.543 429 HG2 PRO 57 1HG PRO 57 11.414 -5.932 -4.303 430 HG3 PRO 57 2HG PRO 57 12.978 -6.651 -3.782 431 HD2 PRO 57 1HD PRO 57 10.708 -8.144 -4.040 432 HD3 PRO 57 2HD PRO 57 11.925 -8.509 -2.791 433 H GLY 58 H GLY 58 9.168 -4.529 -0.255 434 HA2 GLY 58 1HA GLY 58 7.838 -2.635 -0.917 435 HA3 GLY 58 2HA GLY 58 7.366 -3.488 -2.388 436 H CYS 59 H CYS 59 7.249 -6.006 -0.305 437 HA CYS 59 HA CYS 59 4.432 -5.802 -0.350 438 HB2 CYS 59 1HB CYS 59 5.947 -7.890 -0.690 439 HB3 CYS 59 2HB CYS 59 5.940 -7.991 1.100 440 HG CYS 59 HG CYS 59 3.842 -8.823 1.527 441 H GLY 60 H GLY 60 2.969 -5.249 1.112 442 HA2 GLY 60 1HA GLY 60 2.017 -4.982 3.285 443 HA3 GLY 60 2HA GLY 60 3.616 -4.992 3.997 444 H LYS 61 H LYS 61 4.251 -3.042 1.513 445 HA LYS 61 HA LYS 61 3.571 -0.554 2.999 446 HB2 LYS 61 1HB LYS 61 5.586 -0.946 0.732 447 HB3 LYS 61 2HB LYS 61 5.293 0.517 1.680 448 HG2 LYS 61 1HG LYS 61 7.165 -0.244 2.748 449 HG3 LYS 61 2HG LYS 61 5.951 -1.091 3.713 450 HD2 LYS 61 1HD LYS 61 6.277 -3.101 2.121 451 HD3 LYS 61 2HD LYS 61 7.615 -2.201 1.392 452 HE2 LYS 61 1HE LYS 61 8.950 -2.305 3.264 453 HE3 LYS 61 2HE LYS 61 7.581 -2.434 4.384 454 HZ1 LYS 61 3HZ LYS 61 8.841 -4.510 4.156 455 HZ2 LYS 61 1HZ LYS 61 8.519 -4.568 2.591 456 HZ3 LYS 61 2HZ LYS 61 7.261 -4.727 3.627 457 H ILE 62 H ILE 62 1.895 0.620 2.132 458 HA ILE 62 HA ILE 62 1.198 0.163 -0.720 459 HB ILE 62 HB ILE 62 -0.414 1.090 1.666 460 HG12 ILE 62 1HG1 ILE 62 -1.968 -0.612 0.981 461 HG13 ILE 62 2HG1 ILE 62 -1.122 -0.873 -0.525 462 HG21 ILE 62 1HG2 ILE 62 -2.237 1.512 -0.035 463 HG22 ILE 62 2HG2 ILE 62 -0.941 2.703 -0.102 464 HG23 ILE 62 3HG2 ILE 62 -1.025 1.408 -1.309 465 HD11 ILE 62 3HD1 ILE 62 -0.969 -2.679 1.131 466 HD12 ILE 62 1HD1 ILE 62 0.564 -2.157 0.432 467 HD13 ILE 62 2HD1 ILE 62 0.139 -1.664 2.089 468 H PHE 63 H PHE 63 1.260 1.993 -1.993 469 HA PHE 63 HA PHE 63 2.302 4.511 -0.768 470 HB2 PHE 63 1HB PHE 63 2.956 3.526 -3.554 471 HB3 PHE 63 2HB PHE 63 3.649 4.895 -2.694 472 HD1 PHE 63 1HD PHE 63 3.424 1.165 -2.808 473 HD2 PHE 63 2HD PHE 63 5.561 4.560 -1.207 474 HE1 PHE 63 1HE PHE 63 5.105 -0.341 -1.898 475 HE2 PHE 63 2HE PHE 63 7.331 3.028 -0.375 476 HZ PHE 63 HZ PHE 63 7.125 0.583 -0.701 477 H VAL 64 H VAL 64 0.958 6.246 -1.167 478 HA VAL 64 HA VAL 64 -1.205 5.832 -3.166 479 HB VAL 64 HB VAL 64 -2.066 5.392 -0.965 480 HG11 VAL 64 1HG1 VAL 64 -2.249 7.125 0.766 481 HG12 VAL 64 2HG1 VAL 64 -0.550 6.722 0.434 482 HG13 VAL 64 3HG1 VAL 64 -1.243 8.210 -0.212 483 HG21 VAL 64 3HG2 VAL 64 -3.965 6.883 -1.025 484 HG22 VAL 64 1HG2 VAL 64 -3.052 8.090 -1.966 485 HG23 VAL 64 2HG2 VAL 64 -3.442 6.515 -2.679 486 H GLU 65 H GLU 65 -1.217 7.249 -4.668 487 HA GLU 65 HA GLU 65 0.575 9.580 -4.624 488 HB2 GLU 65 1HB GLU 65 0.305 7.690 -6.408 489 HB3 GLU 65 2HB GLU 65 -1.214 8.414 -6.797 490 HG2 GLU 65 1HG GLU 65 0.003 9.570 -8.335 491 HG3 GLU 65 2HG GLU 65 0.434 10.628 -6.981 492 H PHE 66 H PHE 66 -0.359 11.746 -5.042 493 HA PHE 66 HA PHE 66 -3.332 11.989 -4.966 494 HB2 PHE 66 1HB PHE 66 -1.301 13.477 -3.257 495 HB3 PHE 66 2HB PHE 66 -2.914 14.077 -3.543 496 HD1 PHE 66 2HD PHE 66 -0.995 11.341 -1.909 497 HD2 PHE 66 1HD PHE 66 -4.863 13.184 -2.422 498 HE1 PHE 66 2HE PHE 66 -1.820 10.219 0.129 499 HE2 PHE 66 1HE PHE 66 -5.683 12.041 -0.398 500 HZ PHE 66 HZ PHE 66 -4.153 10.533 0.886 501 H THR 67 H THR 67 -4.101 14.159 -5.829 502 HA THR 67 HA THR 67 -2.560 14.917 -8.140 503 HB THR 67 HB THR 67 -4.425 16.736 -8.262 504 HG1 THR 67 1HG THR 67 -6.142 16.392 -6.988 505 HG21 THR 67 3HG2 THR 67 -4.937 13.745 -8.364 506 HG22 THR 67 1HG2 THR 67 -4.457 14.812 -9.692 507 HG23 THR 67 2HG2 THR 67 -6.073 14.971 -8.993 508 H SER 68 H SER 68 -2.039 15.883 -4.884 509 HA SER 68 HA SER 68 -0.064 17.535 -6.023 510 HB2 SER 68 1HB SER 68 -0.436 19.648 -4.923 511 HB3 SER 68 2HB SER 68 -1.881 19.252 -5.852 512 HG SER 68 HG SER 68 -2.857 18.592 -3.947 513 H VAL 69 H VAL 69 1.657 17.984 -4.701 514 HA VAL 69 HA VAL 69 2.291 16.499 -2.423 515 HB VAL 69 HB VAL 69 3.361 19.247 -3.197 516 HG11 VAL 69 1HG1 VAL 69 4.533 16.960 -1.566 517 HG12 VAL 69 2HG1 VAL 69 5.541 18.236 -2.286 518 HG13 VAL 69 3HG1 VAL 69 4.324 18.653 -1.089 519 HG21 VAL 69 3HG2 VAL 69 4.048 16.501 -4.266 520 HG22 VAL 69 1HG2 VAL 69 3.483 17.905 -5.187 521 HG23 VAL 69 2HG2 VAL 69 5.097 17.918 -4.481 522 H PHE 70 H PHE 70 0.053 19.134 -2.579 523 HA PHE 70 HA PHE 70 0.607 19.986 0.222 524 HB2 PHE 70 1HB PHE 70 -0.892 21.087 -2.150 525 HB3 PHE 70 2HB PHE 70 -1.316 21.633 -0.529 526 HD1 PHE 70 1HD PHE 70 0.369 22.727 0.934 527 HD2 PHE 70 2HD PHE 70 1.257 21.771 -3.176 528 HE1 PHE 70 1HE PHE 70 2.311 24.270 0.990 529 HE2 PHE 70 2HE PHE 70 3.181 23.323 -3.108 530 HZ PHE 70 HZ PHE 70 3.717 24.588 -1.045 531 H ASP 71 H ASP 71 -1.598 17.968 -1.589 532 HA ASP 71 HA ASP 71 -3.654 18.012 0.519 533 HB2 ASP 71 1HB ASP 71 -3.283 16.556 -2.117 534 HB3 ASP 71 2HB ASP 71 -4.482 16.022 -0.960 535 H CYS 72 H CYS 72 -1.015 15.843 -0.613 536 HA CYS 72 HA CYS 72 -1.700 13.699 1.150 537 HB2 CYS 72 1HB CYS 72 0.638 12.972 0.727 538 HB3 CYS 72 2HB CYS 72 -0.223 13.359 -0.768 539 HG CYS 72 HG CYS 72 2.309 14.186 -0.882 540 H GLN 73 H GLN 73 0.202 16.639 1.553 541 HA GLN 73 HA GLN 73 1.293 16.137 4.131 542 HB2 GLN 73 1HB GLN 73 0.679 18.580 2.435 543 HB3 GLN 73 2HB GLN 73 1.177 18.802 4.100 544 HG2 GLN 73 1HG GLN 73 3.211 17.449 3.716 545 HG3 GLN 73 2HG GLN 73 2.771 17.271 2.010 546 HE21 GLN 73 1HE2 GLN 73 3.150 19.005 0.645 547 HE22 GLN 73 2HE2 GLN 73 4.006 20.484 1.115 548 H LYS 74 H LYS 74 -2.092 16.672 3.307 549 HA LYS 74 HA LYS 74 -2.716 17.422 6.093 550 HB2 LYS 74 1HB LYS 74 -4.660 16.987 3.789 551 HB3 LYS 74 2HB LYS 74 -4.870 17.888 5.290 552 HG2 LYS 74 1HG LYS 74 -2.978 19.430 4.422 553 HG3 LYS 74 2HG LYS 74 -3.214 18.598 2.873 554 HD2 LYS 74 1HD LYS 74 -5.680 19.330 3.059 555 HD3 LYS 74 2HD LYS 74 -5.148 20.441 4.322 556 HE2 LYS 74 1HE LYS 74 -3.969 20.248 1.507 557 HE3 LYS 74 2HE LYS 74 -5.207 21.418 1.968 558 HZ1 LYS 74 3HZ LYS 74 -2.544 21.292 3.264 559 HZ2 LYS 74 1HZ LYS 74 -3.660 22.514 3.354 560 HZ3 LYS 74 2HZ LYS 74 -2.874 22.216 1.956 561 H ALA 75 H ALA 75 -3.147 14.875 3.622 562 HA ALA 75 HA ALA 75 -4.586 12.987 5.113 563 HB1 ALA 75 1HB ALA 75 -2.330 12.534 3.084 564 HB2 ALA 75 2HB ALA 75 -3.490 11.321 3.590 565 HB3 ALA 75 3HB ALA 75 -4.027 12.772 2.674 566 H MET 76 H MET 76 -1.034 13.265 4.837 567 HA MET 76 HA MET 76 -0.465 10.932 6.107 568 HB2 MET 76 1HB MET 76 1.750 11.523 5.944 569 HB3 MET 76 2HB MET 76 1.028 12.585 4.749 570 HG2 MET 76 1HG MET 76 2.565 13.935 5.745 571 HG3 MET 76 2HG MET 76 1.120 14.376 6.630 572 HE1 MET 76 3HE MET 76 4.648 12.543 6.711 573 HE2 MET 76 1HE MET 76 4.587 11.711 8.286 574 HE3 MET 76 2HE MET 76 3.549 11.165 6.972 575 H GLN 77 H GLN 77 -1.073 13.923 7.602 576 HA GLN 77 HA GLN 77 -0.353 13.075 10.315 577 HB2 GLN 77 1HB GLN 77 -1.071 15.529 10.776 578 HB3 GLN 77 2HB GLN 77 0.471 15.169 10.007 579 HG2 GLN 77 1HG GLN 77 -0.392 15.721 7.802 580 HG3 GLN 77 2HG GLN 77 -2.027 15.919 8.445 581 HE21 GLN 77 1HE2 GLN 77 1.302 17.171 8.866 582 HE22 GLN 77 2HE2 GLN 77 0.825 18.715 9.515 583 H GLY 78 H GLY 78 -3.240 14.013 8.324 584 HA2 GLY 78 1HA GLY 78 -5.074 14.202 10.439 585 HA3 GLY 78 2HA GLY 78 -5.449 13.889 8.741 586 H LEU 79 H LEU 79 -3.758 11.459 8.801 587 HA LEU 79 HA LEU 79 -5.581 9.535 10.170 588 HB2 LEU 79 1HB LEU 79 -4.252 9.436 7.441 589 HB3 LEU 79 2HB LEU 79 -5.213 8.126 8.147 590 HG LEU 79 HG LEU 79 -6.270 10.882 7.406 591 HD11 LEU 79 1HD1 LEU 79 -6.744 8.173 6.100 592 HD12 LEU 79 2HD1 LEU 79 -5.638 9.433 5.481 593 HD13 LEU 79 3HD1 LEU 79 -7.377 9.734 5.565 594 HD21 LEU 79 3HD2 LEU 79 -8.497 9.850 7.808 595 HD22 LEU 79 1HD2 LEU 79 -7.557 9.950 9.285 596 HD23 LEU 79 2HD2 LEU 79 -7.703 8.391 8.435 597 H THR 80 H THR 80 -2.811 10.715 10.992 598 HA THR 80 HA THR 80 -0.931 8.614 10.865 599 HB THR 80 HB THR 80 -1.513 10.732 12.943 600 HG1 THR 80 1HG THR 80 0.786 10.787 11.362 601 HG21 THR 80 3HG2 THR 80 -0.233 9.049 14.144 602 HG22 THR 80 1HG2 THR 80 0.862 10.371 13.743 603 HG23 THR 80 2HG2 THR 80 0.894 8.877 12.773 604 H GLY 81 H GLY 81 -0.967 6.605 11.750 605 HA2 GLY 81 1HA GLY 81 -1.315 4.934 13.295 606 HA3 GLY 81 2HA GLY 81 -2.007 6.129 14.398 607 H ARG 82 H ARG 82 -3.712 6.374 11.430 608 HA ARG 82 HA ARG 82 -5.984 5.164 12.558 609 HB2 ARG 82 1HB ARG 82 -5.592 6.984 10.576 610 HB3 ARG 82 2HB ARG 82 -5.895 5.580 9.569 611 HG2 ARG 82 1HG ARG 82 -7.858 5.734 11.738 612 HG3 ARG 82 2HG ARG 82 -7.702 7.309 10.970 613 HD2 ARG 82 1HD ARG 82 -8.230 6.309 8.765 614 HD3 ARG 82 2HD ARG 82 -8.336 4.709 9.498 615 HE ARG 82 HE ARG 82 -10.065 6.415 10.929 616 HH11 ARG 82 1HH1 ARG 82 -9.871 4.941 7.644 617 HH12 ARG 82 2HH1 ARG 82 -11.580 4.636 7.610 618 HH21 ARG 82 1HH2 ARG 82 -12.379 6.216 10.624 619 HH22 ARG 82 2HH2 ARG 82 -12.951 5.333 9.234 620 H LYS 83 H LYS 83 -7.181 3.621 10.582 621 HA LYS 83 HA LYS 83 -5.445 1.217 10.440 622 HB2 LYS 83 1HB LYS 83 -8.411 1.258 11.168 623 HB3 LYS 83 2HB LYS 83 -7.377 -0.167 11.012 624 HG2 LYS 83 1HG LYS 83 -5.934 0.766 12.873 625 HG3 LYS 83 2HG LYS 83 -7.121 2.069 13.079 626 HD2 LYS 83 1HD LYS 83 -8.869 0.408 13.638 627 HD3 LYS 83 2HD LYS 83 -7.690 -0.897 13.416 628 HE2 LYS 83 1HE LYS 83 -6.219 0.424 15.117 629 HE3 LYS 83 2HE LYS 83 -7.692 1.313 15.503 630 HZ1 LYS 83 3HZ LYS 83 -7.252 -1.601 15.792 631 HZ2 LYS 83 1HZ LYS 83 -8.695 -0.901 16.023 632 HZ3 LYS 83 2HZ LYS 83 -7.443 -0.508 17.013 633 H PHE 84 H PHE 84 -5.276 0.655 8.259 634 HA PHE 84 HA PHE 84 -7.421 1.627 6.379 635 HB2 PHE 84 1HB PHE 84 -4.434 1.332 6.121 636 HB3 PHE 84 2HB PHE 84 -5.443 1.228 4.701 637 HD1 PHE 84 2HD PHE 84 -5.811 3.702 7.546 638 HD2 PHE 84 1HD PHE 84 -4.976 3.003 3.385 639 HE1 PHE 84 2HE PHE 84 -5.752 6.138 7.134 640 HE2 PHE 84 1HE PHE 84 -4.881 5.425 2.980 641 HZ PHE 84 HZ PHE 84 -5.231 7.016 4.856 642 H ALA 85 H ALA 85 -6.979 -0.853 8.017 643 HA ALA 85 HA ALA 85 -8.482 -2.507 6.314 644 HB1 ALA 85 1HB ALA 85 -7.217 -4.558 6.199 645 HB2 ALA 85 2HB ALA 85 -6.227 -3.301 5.460 646 HB3 ALA 85 3HB ALA 85 -5.851 -3.882 7.083 647 H ASN 86 H ASN 86 -6.181 -3.070 8.961 648 HA ASN 86 HA ASN 86 -8.376 -3.179 10.943 649 HB2 ASN 86 1HB ASN 86 -7.960 -5.479 9.675 650 HB3 ASN 86 2HB ASN 86 -6.576 -5.613 10.755 651 HD21 ASN 86 1HD2 ASN 86 -7.924 -4.287 13.097 652 HD22 ASN 86 2HD2 ASN 86 -9.215 -5.339 13.578 653 H ARG 87 H ARG 87 -4.919 -3.058 10.146 654 HA ARG 87 HA ARG 87 -4.143 -3.054 12.999 655 HB2 ARG 87 1HB ARG 87 -2.563 -3.373 10.411 656 HB3 ARG 87 2HB ARG 87 -1.918 -3.553 12.041 657 HG2 ARG 87 1HG ARG 87 -3.128 -5.498 12.496 658 HG3 ARG 87 2HG ARG 87 -4.208 -5.327 11.139 659 HD2 ARG 87 1HD ARG 87 -1.234 -5.656 10.748 660 HD3 ARG 87 2HD ARG 87 -2.322 -7.036 10.861 661 HE ARG 87 HE ARG 87 -2.146 -5.038 8.685 662 HH11 ARG 87 1HH1 ARG 87 -3.752 -7.985 9.919 663 HH12 ARG 87 2HH1 ARG 87 -4.795 -8.122 8.541 664 HH21 ARG 87 1HH2 ARG 87 -3.511 -5.334 6.796 665 HH22 ARG 87 2HH2 ARG 87 -4.277 -6.845 6.587 666 H VAL 88 H VAL 88 -1.996 -1.669 13.270 667 HA VAL 88 HA VAL 88 -3.009 1.047 12.948 668 HB VAL 88 HB VAL 88 -0.437 0.143 14.342 669 HG11 VAL 88 1HG1 VAL 88 -0.672 2.571 13.960 670 HG12 VAL 88 2HG1 VAL 88 -2.249 2.550 14.777 671 HG13 VAL 88 3HG1 VAL 88 -0.771 2.171 15.678 672 HG21 VAL 88 3HG2 VAL 88 -1.815 0.182 16.465 673 HG22 VAL 88 1HG2 VAL 88 -3.275 0.233 15.456 674 HG23 VAL 88 2HG2 VAL 88 -2.187 -1.172 15.401 675 H VAL 89 H VAL 89 -2.488 2.261 11.308 676 HA VAL 89 HA VAL 89 -0.405 1.605 9.412 677 HB VAL 89 HB VAL 89 -2.351 3.947 9.794 678 HG11 VAL 89 1HG1 VAL 89 -1.942 4.496 7.404 679 HG12 VAL 89 2HG1 VAL 89 -0.648 4.935 8.510 680 HG13 VAL 89 3HG1 VAL 89 -0.473 3.489 7.475 681 HG21 VAL 89 3HG2 VAL 89 -3.437 2.786 7.770 682 HG22 VAL 89 1HG2 VAL 89 -2.302 1.448 8.044 683 HG23 VAL 89 2HG2 VAL 89 -3.490 1.854 9.268 684 H VAL 90 H VAL 90 1.360 2.969 8.851 685 HA VAL 90 HA VAL 90 2.033 5.145 10.676 686 HB VAL 90 HB VAL 90 4.138 3.242 9.547 687 HG11 VAL 90 1HG1 VAL 90 5.653 4.669 11.014 688 HG12 VAL 90 2HG1 VAL 90 4.981 5.510 9.627 689 HG13 VAL 90 3HG1 VAL 90 4.303 5.774 11.254 690 HG21 VAL 90 3HG2 VAL 90 2.999 2.190 11.487 691 HG22 VAL 90 1HG2 VAL 90 4.656 2.648 11.878 692 HG23 VAL 90 2HG2 VAL 90 3.308 3.648 12.446 693 H THR 91 H THR 91 2.753 6.956 9.422 694 HA THR 91 HA THR 91 2.546 6.713 6.490 695 HB THR 91 HB THR 91 2.044 9.272 6.898 696 HG1 THR 91 1HG THR 91 1.131 9.713 8.872 697 HG21 THR 91 3HG2 THR 91 0.380 7.878 5.917 698 HG22 THR 91 1HG2 THR 91 -0.390 8.760 7.253 699 HG23 THR 91 2HG2 THR 91 0.046 7.054 7.452 700 H LYS 92 H LYS 92 4.224 7.670 5.279 701 HA LYS 92 HA LYS 92 6.396 9.136 6.597 702 HB2 LYS 92 1HB LYS 92 6.696 6.449 5.192 703 HB3 LYS 92 2HB LYS 92 7.985 7.640 5.107 704 HG2 LYS 92 1HG LYS 92 8.195 7.666 7.566 705 HG3 LYS 92 2HG LYS 92 6.879 6.508 7.700 706 HD2 LYS 92 1HD LYS 92 8.523 4.991 7.789 707 HD3 LYS 92 2HD LYS 92 8.456 5.064 6.044 708 HE2 LYS 92 1HE LYS 92 10.352 6.694 7.807 709 HE3 LYS 92 2HE LYS 92 10.758 5.146 7.062 710 HZ1 LYS 92 3HZ LYS 92 10.422 6.166 4.896 711 HZ2 LYS 92 1HZ LYS 92 11.595 6.896 5.733 712 HZ3 LYS 92 2HZ LYS 92 10.160 7.653 5.599 713 H TYR 93 H TYR 93 7.325 10.601 5.126 714 HA TYR 93 HA TYR 93 6.118 10.942 2.502 715 HB2 TYR 93 1HB TYR 93 8.739 12.024 3.640 716 HB3 TYR 93 2HB TYR 93 8.063 12.464 2.064 717 HD1 TYR 93 2HD TYR 93 5.509 13.143 2.140 718 HD2 TYR 93 1HD TYR 93 8.192 13.494 5.476 719 HE1 TYR 93 2HE TYR 93 3.913 14.639 3.217 720 HE2 TYR 93 1HE TYR 93 6.675 15.162 6.511 721 HH TYR 93 HH TYR 93 4.878 16.747 5.895 722 H CYS 94 H CYS 94 6.821 10.212 0.558 723 HA CYS 94 HA CYS 94 9.069 8.291 0.431 724 HB2 CYS 94 1HB CYS 94 6.334 7.737 -0.009 725 HB3 CYS 94 2HB CYS 94 6.937 8.013 -1.637 726 HG CYS 94 HG CYS 94 8.746 6.185 -1.681 727 H ASP 95 H ASP 95 9.095 8.181 -2.432 728 HA ASP 95 HA ASP 95 9.394 10.976 -3.300 729 HB2 ASP 95 1HB ASP 95 11.467 8.771 -3.380 730 HB3 ASP 95 2HB ASP 95 11.426 10.062 -4.579 731 HA PRO 96 HA PRO 96 6.966 9.068 -6.481 732 HB2 PRO 96 1HB PRO 96 7.021 10.942 -8.470 733 HB3 PRO 96 2HB PRO 96 6.214 11.261 -6.919 734 HG2 PRO 96 1HG PRO 96 9.002 12.065 -7.757 735 HG3 PRO 96 2HG PRO 96 7.763 13.077 -6.971 736 HD2 PRO 96 1HD PRO 96 9.773 11.894 -5.557 737 HD3 PRO 96 2HD PRO 96 8.124 12.062 -4.888 738 H ASP 97 H ASP 97 10.289 9.926 -7.103 739 HA ASP 97 HA ASP 97 10.766 8.923 -9.684 740 HB2 ASP 97 1HB ASP 97 12.409 9.931 -7.876 741 HB3 ASP 97 2HB ASP 97 12.584 8.228 -7.371 742 H SER 98 H SER 98 10.835 7.166 -6.545 743 HA SER 98 HA SER 98 11.348 4.656 -7.633 744 HB2 SER 98 1HB SER 98 9.935 5.212 -5.002 745 HB3 SER 98 2HB SER 98 11.010 3.861 -5.409 746 HG SER 98 HG SER 98 12.629 5.688 -5.757 747 H TYR 99 H TYR 99 8.274 6.330 -6.797 748 HA TYR 99 HA TYR 99 6.563 4.070 -6.936 749 HB2 TYR 99 1HB TYR 99 6.009 6.176 -5.813 750 HB3 TYR 99 2HB TYR 99 6.015 7.054 -7.336 751 HD1 TYR 99 2HD TYR 99 4.180 6.684 -9.036 752 HD2 TYR 99 1HD TYR 99 4.034 5.106 -5.040 753 HE1 TYR 99 2HE TYR 99 1.774 6.339 -9.285 754 HE2 TYR 99 1HE TYR 99 1.589 4.795 -5.255 755 HH TYR 99 HH TYR 99 -0.258 5.247 -6.567 756 H HIS 100 H HIS 100 7.448 6.478 -9.526 757 HA HIS 100 HA HIS 100 5.773 5.360 -11.533 758 HB2 HIS 100 1HB HIS 100 8.460 6.809 -11.661 759 HB3 HIS 100 2HB HIS 100 7.455 6.464 -13.066 760 HD1 HIS 100 1HD HIS 100 7.790 9.026 -10.355 761 HD2 HIS 100 2HD HIS 100 4.784 7.462 -12.782 762 HE1 HIS 100 1HE HIS 100 6.050 10.859 -10.538 763 H ARG 101 H ARG 101 8.146 3.670 -9.876 764 HA ARG 101 HA ARG 101 8.977 1.972 -12.144 765 HB2 ARG 101 1HB ARG 101 10.839 3.206 -10.033 766 HB3 ARG 101 2HB ARG 101 11.301 2.131 -11.369 767 HG2 ARG 101 1HG ARG 101 10.219 3.896 -12.899 768 HG3 ARG 101 2HG ARG 101 10.288 4.988 -11.542 769 HD2 ARG 101 1HD ARG 101 12.375 5.512 -12.062 770 HD3 ARG 101 2HD ARG 101 12.883 3.836 -11.766 771 HE ARG 101 HE ARG 101 11.565 4.197 -14.312 772 HH11 ARG 101 1HH1 ARG 101 14.650 4.961 -12.832 773 HH12 ARG 101 2HH1 ARG 101 15.617 4.698 -14.221 774 HH21 ARG 101 1HH2 ARG 101 12.723 4.097 -16.240 775 HH22 ARG 101 2HH2 ARG 101 14.452 4.009 -16.225 776 H ARG 102 H ARG 102 10.557 0.254 -10.769 777 HA ARG 102 HA ARG 102 8.876 -0.858 -8.590 778 HB2 ARG 102 1HB ARG 102 9.910 -2.124 -11.136 779 HB3 ARG 102 2HB ARG 102 9.782 -3.121 -9.706 780 HG2 ARG 102 1HG ARG 102 7.895 -3.207 -11.425 781 HG3 ARG 102 2HG ARG 102 7.458 -3.131 -9.724 782 HD2 ARG 102 1HD ARG 102 6.870 -0.859 -9.855 783 HD3 ARG 102 2HD ARG 102 7.633 -0.662 -11.420 784 HE ARG 102 HE ARG 102 5.478 -2.581 -11.514 785 HH11 ARG 102 1HH1 ARG 102 5.821 0.861 -10.859 786 HH12 ARG 102 2HH1 ARG 102 4.371 1.266 -11.653 787 HH21 ARG 102 1HH2 ARG 102 3.439 -1.945 -12.514 788 HH22 ARG 102 2HH2 ARG 102 2.994 -0.280 -12.342 789 H ASP 103 H ASP 103 10.514 0.535 -7.435 790 HA ASP 103 HA ASP 103 13.019 -0.987 -7.031 791 HB2 ASP 103 1HB ASP 103 13.110 1.451 -8.285 792 HB3 ASP 103 2HB ASP 103 13.119 1.988 -6.645 793 H PHE 104 H PHE 104 10.507 -1.153 -5.595 794 HA PHE 104 HA PHE 104 10.594 0.276 -3.145 795 HB2 PHE 104 1HB PHE 104 9.425 -2.463 -3.204 796 HB3 PHE 104 2HB PHE 104 8.778 -0.982 -2.504 797 HD1 PHE 104 1HD PHE 104 9.162 -3.046 -5.529 798 HD2 PHE 104 2HD PHE 104 7.347 0.576 -3.965 799 HE1 PHE 104 1HE PHE 104 7.809 -2.778 -7.610 800 HE2 PHE 104 2HE PHE 104 5.944 0.715 -5.986 801 HZ PHE 104 HZ PHE 104 6.265 -0.898 -7.821 802 H TRP 105 H TRP 105 10.990 -0.845 -0.940 803 HA TRP 105 HA TRP 105 12.715 -3.158 -0.961 804 HB2 TRP 105 1HB TRP 105 14.170 -0.994 -1.124 805 HB3 TRP 105 2HB TRP 105 13.707 -0.741 0.558 806 HD1 TRP 105 HD TRP 105 14.684 -4.080 -1.151 807 HE1 TRP 105 1HE TRP 105 16.723 -5.070 -0.073 808 HE3 TRP 105 3HE TRP 105 15.775 -0.241 2.052 809 HZ2 TRP 105 2HZ TRP 105 18.646 -4.301 1.965 810 HZ3 TRP 105 3HZ TRP 105 17.772 -0.374 3.525 811 HH2 TRP 105 HH TRP 105 19.227 -2.398 3.488 Start of MODEL 14 1 H1 GLY 1 H GLY 1 15.604 10.675 5.948 2 HA2 GLY 1 1HA GLY 1 13.275 10.414 5.313 3 HA3 GLY 1 2HA GLY 1 12.985 12.061 5.913 4 H GLY 2 H GLY 2 13.662 13.846 4.687 5 HA2 GLY 2 1HA GLY 2 15.146 14.456 2.656 6 HA3 GLY 2 2HA GLY 2 14.103 13.272 1.839 7 H HIS 3 H HIS 3 13.469 15.278 0.590 8 HA HIS 3 HA HIS 3 11.879 17.354 1.778 9 HB2 HIS 3 1HB HIS 3 11.196 17.726 -0.595 10 HB3 HIS 3 2HB HIS 3 12.927 17.710 -0.341 11 HD1 HIS 3 1HD HIS 3 14.301 15.715 -1.539 12 HD2 HIS 3 2HD HIS 3 10.172 15.983 -2.295 13 HE1 HIS 3 1HE HIS 3 13.831 14.212 -3.541 14 HA PRO 4 HA PRO 4 7.877 15.163 1.781 15 HB2 PRO 4 1HB PRO 4 6.273 17.300 0.992 16 HB3 PRO 4 2HB PRO 4 6.687 16.929 2.692 17 HG2 PRO 4 1HG PRO 4 7.681 19.067 0.880 18 HG3 PRO 4 2HG PRO 4 7.701 19.026 2.663 19 HD2 PRO 4 1HD PRO 4 9.878 18.582 0.943 20 HD3 PRO 4 2HD PRO 4 9.827 18.215 2.686 21 H THR 5 H THR 5 6.649 14.226 0.069 22 HA THR 5 HA THR 5 7.088 15.245 -2.691 23 HB THR 5 HB THR 5 7.028 12.821 -3.381 24 HG1 THR 5 1HG THR 5 7.731 11.467 -1.417 25 HG21 THR 5 3HG2 THR 5 9.228 13.856 -3.174 26 HG22 THR 5 1HG2 THR 5 9.300 12.176 -2.620 27 HG23 THR 5 2HG2 THR 5 9.290 13.481 -1.433 28 H GLU 6 H GLU 6 5.177 14.180 -4.112 29 HA GLU 6 HA GLU 6 2.654 14.860 -2.796 30 HB2 GLU 6 1HB GLU 6 1.680 14.589 -5.020 31 HB3 GLU 6 2HB GLU 6 3.112 15.622 -5.082 32 HG2 GLU 6 1HG GLU 6 4.470 13.692 -5.788 33 HG3 GLU 6 2HG GLU 6 3.017 12.672 -5.835 34 H VAL 7 H VAL 7 4.438 11.993 -2.757 35 HA VAL 7 HA VAL 7 2.027 10.323 -2.950 36 HB VAL 7 HB VAL 7 3.418 8.436 -3.068 37 HG11 VAL 7 1HG1 VAL 7 4.796 10.525 -4.830 38 HG12 VAL 7 2HG1 VAL 7 4.591 8.806 -5.160 39 HG13 VAL 7 3HG1 VAL 7 3.185 9.858 -5.184 40 HG21 VAL 7 3HG2 VAL 7 5.759 8.378 -3.089 41 HG22 VAL 7 1HG2 VAL 7 5.846 10.082 -2.551 42 HG23 VAL 7 2HG2 VAL 7 5.101 8.811 -1.515 43 H LEU 8 H LEU 8 2.285 8.416 -1.217 44 HA LEU 8 HA LEU 8 3.417 9.236 1.338 45 HB2 LEU 8 1HB LEU 8 0.508 9.203 0.797 46 HB3 LEU 8 2HB LEU 8 0.928 8.080 2.077 47 HG LEU 8 HG LEU 8 2.222 10.748 2.338 48 HD11 LEU 8 1HD1 LEU 8 0.175 11.895 3.073 49 HD12 LEU 8 2HD1 LEU 8 -0.809 10.489 2.603 50 HD13 LEU 8 3HD1 LEU 8 0.061 11.433 1.377 51 HD21 LEU 8 3HD2 LEU 8 2.212 8.895 4.057 52 HD22 LEU 8 1HD2 LEU 8 0.472 9.173 4.245 53 HD23 LEU 8 2HD2 LEU 8 1.628 10.466 4.636 54 H CYS 9 H CYS 9 3.757 7.338 2.644 55 HA CYS 9 HA CYS 9 3.381 4.704 1.294 56 HB2 CYS 9 1HB CYS 9 5.701 5.073 1.312 57 HB3 CYS 9 2HB CYS 9 5.678 5.827 2.892 58 HG CYS 9 HG CYS 9 6.921 3.454 2.746 59 H LEU 10 H LEU 10 2.247 3.310 2.436 60 HA LEU 10 HA LEU 10 1.201 3.999 5.127 61 HB2 LEU 10 1HB LEU 10 -0.114 2.917 2.602 62 HB3 LEU 10 2HB LEU 10 -0.852 2.807 4.192 63 HG LEU 10 HG LEU 10 -0.093 5.493 3.023 64 HD11 LEU 10 1HD1 LEU 10 -2.352 5.673 2.183 65 HD12 LEU 10 2HD1 LEU 10 -2.842 4.157 2.954 66 HD13 LEU 10 3HD1 LEU 10 -1.739 4.104 1.593 67 HD21 LEU 10 3HD2 LEU 10 -1.526 6.373 4.666 68 HD22 LEU 10 1HD2 LEU 10 -0.380 5.317 5.463 69 HD23 LEU 10 2HD2 LEU 10 -2.040 4.747 5.185 70 H MET 11 H MET 11 2.353 2.652 6.329 71 HA MET 11 HA MET 11 2.893 -0.122 5.418 72 HB2 MET 11 1HB MET 11 3.764 1.555 7.793 73 HB3 MET 11 2HB MET 11 4.261 -0.106 7.572 74 HG2 MET 11 1HG MET 11 5.355 0.541 5.350 75 HG3 MET 11 2HG MET 11 4.723 2.152 5.530 76 HE1 MET 11 3HE MET 11 5.296 3.811 7.426 77 HE2 MET 11 1HE MET 11 5.406 2.705 8.810 78 HE3 MET 11 2HE MET 11 6.785 3.736 8.398 79 H ASN 12 H ASN 12 2.303 -1.906 6.729 80 HA ASN 12 HA ASN 12 1.140 -3.192 8.164 81 HB2 ASN 12 1HB ASN 12 0.276 -0.755 9.660 82 HB3 ASN 12 2HB ASN 12 0.401 -2.394 10.264 83 HD21 ASN 12 1HD2 ASN 12 1.261 -0.034 11.361 84 HD22 ASN 12 2HD2 ASN 12 2.883 -0.314 11.893 85 H MET 13 H MET 13 -0.247 -1.979 5.805 86 HA MET 13 HA MET 13 -3.064 -2.119 6.707 87 HB2 MET 13 1HB MET 13 -1.900 -0.711 4.730 88 HB3 MET 13 2HB MET 13 -2.230 -2.123 3.784 89 HG2 MET 13 1HG MET 13 -4.521 -1.814 3.887 90 HG3 MET 13 2HG MET 13 -4.432 -0.893 5.399 91 HE1 MET 13 3HE MET 13 -3.173 2.614 4.294 92 HE2 MET 13 1HE MET 13 -3.630 1.551 5.611 93 HE3 MET 13 2HE MET 13 -2.087 1.313 4.818 94 H VAL 14 H VAL 14 -1.320 -3.645 4.056 95 HA VAL 14 HA VAL 14 -2.762 -6.070 4.498 96 HB VAL 14 HB VAL 14 -1.807 -6.509 2.157 97 HG11 VAL 14 1HG1 VAL 14 -4.052 -5.606 2.547 98 HG12 VAL 14 2HG1 VAL 14 -3.403 -3.952 2.601 99 HG13 VAL 14 3HG1 VAL 14 -3.337 -4.889 1.107 100 HG21 VAL 14 3HG2 VAL 14 -0.854 -3.615 2.379 101 HG22 VAL 14 1HG2 VAL 14 0.199 -5.041 2.252 102 HG23 VAL 14 2HG2 VAL 14 -0.887 -4.593 0.923 103 H LEU 15 H LEU 15 -1.971 -8.091 4.704 104 HA LEU 15 HA LEU 15 0.844 -8.419 5.568 105 HB2 LEU 15 1HB LEU 15 -1.583 -10.276 5.583 106 HB3 LEU 15 2HB LEU 15 0.026 -10.776 6.047 107 HG LEU 15 HG LEU 15 -1.133 -10.432 8.005 108 HD11 LEU 15 1HD1 LEU 15 1.229 -9.544 7.939 109 HD12 LEU 15 2HD1 LEU 15 0.206 -8.845 9.208 110 HD13 LEU 15 3HD1 LEU 15 0.549 -7.910 7.746 111 HD21 LEU 15 3HD2 LEU 15 -2.247 -8.425 8.761 112 HD22 LEU 15 1HD2 LEU 15 -2.975 -9.022 7.278 113 HD23 LEU 15 2HD2 LEU 15 -1.915 -7.599 7.229 114 HA PRO 16 HA PRO 16 2.101 -10.151 1.669 115 HB2 PRO 16 1HB PRO 16 4.066 -11.930 2.354 116 HB3 PRO 16 2HB PRO 16 4.243 -10.161 2.522 117 HG2 PRO 16 1HG PRO 16 3.411 -12.163 4.660 118 HG3 PRO 16 2HG PRO 16 4.695 -10.911 4.763 119 HD2 PRO 16 1HD PRO 16 2.213 -10.459 5.744 120 HD3 PRO 16 2HD PRO 16 3.104 -9.157 4.899 121 H GLU 17 H GLU 17 0.087 -11.805 3.662 122 HA GLU 17 HA GLU 17 0.037 -14.280 2.036 123 HB2 GLU 17 1HB GLU 17 -0.450 -15.541 4.029 124 HB3 GLU 17 2HB GLU 17 1.075 -14.678 4.188 125 HG2 GLU 17 1HG GLU 17 -0.259 -12.878 5.479 126 HG3 GLU 17 2HG GLU 17 -1.559 -14.063 5.556 127 H GLU 18 H GLU 18 -1.640 -11.471 2.440 128 HA GLU 18 HA GLU 18 -4.203 -12.875 1.822 129 HB2 GLU 18 1HB GLU 18 -5.437 -11.096 2.837 130 HB3 GLU 18 2HB GLU 18 -4.333 -11.841 4.001 131 HG2 GLU 18 1HG GLU 18 -2.750 -9.901 3.575 132 HG3 GLU 18 2HG GLU 18 -4.002 -9.154 2.583 133 H LEU 19 H LEU 19 -1.733 -10.938 0.588 134 HA LEU 19 HA LEU 19 -3.436 -9.441 -1.325 135 HB2 LEU 19 1HB LEU 19 -0.433 -9.753 -1.016 136 HB3 LEU 19 2HB LEU 19 -1.220 -8.812 -2.300 137 HG LEU 19 HG LEU 19 -1.557 -8.168 0.631 138 HD11 LEU 19 1HD1 LEU 19 0.167 -6.448 0.240 139 HD12 LEU 19 2HD1 LEU 19 0.323 -6.963 -1.444 140 HD13 LEU 19 3HD1 LEU 19 0.840 -8.030 -0.116 141 HD21 LEU 19 3HD2 LEU 19 -3.368 -7.280 -0.749 142 HD22 LEU 19 1HD2 LEU 19 -2.235 -6.771 -2.011 143 HD23 LEU 19 2HD2 LEU 19 -2.251 -5.948 -0.451 144 H LEU 20 H LEU 20 -4.341 -11.766 -1.802 145 HA LEU 20 HA LEU 20 -2.793 -12.836 -4.148 146 HB2 LEU 20 1HB LEU 20 -4.254 -14.444 -2.017 147 HB3 LEU 20 2HB LEU 20 -3.794 -15.066 -3.589 148 HG LEU 20 HG LEU 20 -2.245 -15.900 -2.115 149 HD11 LEU 20 1HD1 LEU 20 -1.234 -15.083 -4.213 150 HD12 LEU 20 2HD1 LEU 20 -0.095 -15.128 -2.853 151 HD13 LEU 20 3HD1 LEU 20 -0.767 -13.582 -3.394 152 HD21 LEU 20 3HD2 LEU 20 -1.494 -13.195 -1.002 153 HD22 LEU 20 1HD2 LEU 20 -0.939 -14.785 -0.477 154 HD23 LEU 20 2HD2 LEU 20 -2.629 -14.318 -0.225 155 H ASP 21 H ASP 21 -6.015 -12.373 -2.620 156 HA ASP 21 HA ASP 21 -7.532 -13.236 -4.865 157 HB2 ASP 21 1HB ASP 21 -8.085 -11.654 -2.354 158 HB3 ASP 21 2HB ASP 21 -9.272 -11.633 -3.675 159 H ASP 22 H ASP 22 -7.007 -12.322 -6.752 160 HA ASP 22 HA ASP 22 -6.372 -9.676 -7.530 161 HB2 ASP 22 1HB ASP 22 -5.991 -11.808 -8.812 162 HB3 ASP 22 2HB ASP 22 -7.721 -12.106 -8.852 163 H GLU 23 H GLU 23 -9.130 -10.463 -6.159 164 HA GLU 23 HA GLU 23 -11.008 -8.841 -7.777 165 HB2 GLU 23 1HB GLU 23 -12.638 -10.504 -7.440 166 HB3 GLU 23 2HB GLU 23 -11.215 -11.115 -8.290 167 HG2 GLU 23 1HG GLU 23 -10.420 -11.901 -5.876 168 HG3 GLU 23 2HG GLU 23 -12.116 -11.552 -5.511 169 H GLU 24 H GLU 24 -10.605 -10.271 -4.473 170 HA GLU 24 HA GLU 24 -12.064 -8.312 -3.121 171 HB2 GLU 24 1HB GLU 24 -11.124 -10.654 -2.478 172 HB3 GLU 24 2HB GLU 24 -9.626 -9.799 -2.071 173 HG2 GLU 24 1HG GLU 24 -10.985 -8.333 -0.530 174 HG3 GLU 24 2HG GLU 24 -12.392 -9.321 -0.943 175 H TYR 25 H TYR 25 -8.558 -8.508 -3.908 176 HA TYR 25 HA TYR 25 -7.495 -6.261 -2.704 177 HB2 TYR 25 1HB TYR 25 -6.205 -7.873 -3.910 178 HB3 TYR 25 2HB TYR 25 -7.116 -7.601 -5.389 179 HD1 TYR 25 2HD TYR 25 -6.760 -5.645 -6.805 180 HD2 TYR 25 1HD TYR 25 -4.182 -6.608 -3.478 181 HE1 TYR 25 2HE TYR 25 -4.899 -4.472 -7.924 182 HE2 TYR 25 1HE TYR 25 -2.316 -5.422 -4.598 183 HH TYR 25 HH TYR 25 -2.551 -4.371 -7.951 184 H GLU 26 H GLU 26 -9.587 -6.393 -5.635 185 HA GLU 26 HA GLU 26 -9.015 -3.581 -6.140 186 HB2 GLU 26 1HB GLU 26 -9.813 -5.761 -7.756 187 HB3 GLU 26 2HB GLU 26 -11.256 -4.718 -7.687 188 HG2 GLU 26 1HG GLU 26 -9.770 -2.741 -8.249 189 HG3 GLU 26 2HG GLU 26 -8.380 -3.820 -8.147 190 H GLU 27 H GLU 27 -11.554 -5.267 -4.570 191 HA GLU 27 HA GLU 27 -13.443 -3.101 -4.280 192 HB2 GLU 27 1HB GLU 27 -12.817 -5.286 -2.265 193 HB3 GLU 27 2HB GLU 27 -14.284 -4.335 -2.373 194 HG2 GLU 27 1HG GLU 27 -13.268 -6.327 -4.462 195 HG3 GLU 27 2HG GLU 27 -14.530 -6.605 -3.260 196 H ILE 28 H ILE 28 -10.763 -4.282 -2.286 197 HA ILE 28 HA ILE 28 -11.015 -2.413 -0.187 198 HB ILE 28 HB ILE 28 -8.620 -4.040 -1.146 199 HG12 ILE 28 1HG1 ILE 28 -10.476 -4.665 1.197 200 HG13 ILE 28 2HG1 ILE 28 -10.821 -5.255 -0.402 201 HG21 ILE 28 1HG2 ILE 28 -7.842 -2.241 0.373 202 HG22 ILE 28 2HG2 ILE 28 -9.116 -2.627 1.536 203 HG23 ILE 28 3HG2 ILE 28 -7.794 -3.772 1.243 204 HD11 ILE 28 3HD1 ILE 28 -8.285 -5.909 1.139 205 HD12 ILE 28 1HD1 ILE 28 -9.664 -6.970 0.870 206 HD13 ILE 28 2HD1 ILE 28 -8.673 -6.452 -0.508 207 H VAL 29 H VAL 29 -9.200 -2.192 -3.241 208 HA VAL 29 HA VAL 29 -7.734 0.181 -2.697 209 HB VAL 29 HB VAL 29 -8.860 -1.092 -5.195 210 HG11 VAL 29 1HG1 VAL 29 -7.125 1.408 -5.127 211 HG12 VAL 29 2HG1 VAL 29 -7.433 0.415 -6.568 212 HG13 VAL 29 3HG1 VAL 29 -8.764 1.276 -5.799 213 HG21 VAL 29 3HG2 VAL 29 -6.849 -2.086 -3.932 214 HG22 VAL 29 1HG2 VAL 29 -6.552 -1.705 -5.633 215 HG23 VAL 29 2HG2 VAL 29 -5.957 -0.626 -4.344 216 H GLU 30 H GLU 30 -11.168 -0.230 -3.868 217 HA GLU 30 HA GLU 30 -11.397 2.608 -4.353 218 HB2 GLU 30 1HB GLU 30 -13.635 0.554 -4.009 219 HB3 GLU 30 2HB GLU 30 -13.807 2.201 -4.624 220 HG2 GLU 30 1HG GLU 30 -11.816 1.168 -6.268 221 HG3 GLU 30 2HG GLU 30 -12.846 -0.231 -5.980 222 H ASP 31 H ASP 31 -12.242 0.533 -1.665 223 HA ASP 31 HA ASP 31 -13.786 2.444 -0.167 224 HB2 ASP 31 1HB ASP 31 -13.684 -0.031 0.274 225 HB3 ASP 31 2HB ASP 31 -12.035 0.157 0.853 226 H VAL 32 H VAL 32 -10.341 1.781 -0.361 227 HA VAL 32 HA VAL 32 -9.576 3.662 1.768 228 HB VAL 32 HB VAL 32 -8.132 1.937 -0.311 229 HG11 VAL 32 1HG1 VAL 32 -6.668 3.812 -0.114 230 HG12 VAL 32 2HG1 VAL 32 -6.893 3.876 1.636 231 HG13 VAL 32 3HG1 VAL 32 -5.996 2.517 0.882 232 HG21 VAL 32 3HG2 VAL 32 -8.295 1.852 2.734 233 HG22 VAL 32 1HG2 VAL 32 -9.163 0.783 1.613 234 HG23 VAL 32 2HG2 VAL 32 -7.395 0.700 1.709 235 H ARG 33 H ARG 33 -9.964 3.656 -1.769 236 HA ARG 33 HA ARG 33 -8.576 6.155 -2.132 237 HB2 ARG 33 1HB ARG 33 -9.081 4.417 -3.934 238 HB3 ARG 33 2HB ARG 33 -10.753 4.985 -3.938 239 HG2 ARG 33 1HG ARG 33 -10.040 7.188 -4.697 240 HG3 ARG 33 2HG ARG 33 -8.329 6.773 -4.421 241 HD2 ARG 33 1HD ARG 33 -8.427 5.048 -6.170 242 HD3 ARG 33 2HD ARG 33 -10.130 5.398 -6.458 243 HE ARG 33 HE ARG 33 -7.769 7.112 -7.120 244 HH11 ARG 33 1HH1 ARG 33 -11.256 6.465 -7.610 245 HH12 ARG 33 2HH1 ARG 33 -11.399 7.615 -8.864 246 HH21 ARG 33 1HH2 ARG 33 -7.961 8.508 -8.781 247 HH22 ARG 33 2HH2 ARG 33 -9.493 8.871 -9.535 248 H ASP 34 H ASP 34 -11.940 5.269 -1.302 249 HA ASP 34 HA ASP 34 -12.963 7.937 -1.382 250 HB2 ASP 34 1HB ASP 34 -14.363 5.895 -0.985 251 HB3 ASP 34 2HB ASP 34 -13.695 5.749 0.618 252 H GLU 35 H GLU 35 -11.590 6.043 1.325 253 HA GLU 35 HA GLU 35 -12.095 8.033 3.158 254 HB2 GLU 35 1HB GLU 35 -11.107 6.753 4.737 255 HB3 GLU 35 2HB GLU 35 -11.468 5.546 3.524 256 HG2 GLU 35 1HG GLU 35 -9.067 5.459 2.929 257 HG3 GLU 35 2HG GLU 35 -8.729 6.793 4.044 258 H CYS 36 H CYS 36 -9.224 7.486 1.264 259 HA CYS 36 HA CYS 36 -7.613 9.552 2.486 260 HB2 CYS 36 1HB CYS 36 -6.921 7.366 1.356 261 HB3 CYS 36 2HB CYS 36 -7.247 8.153 -0.197 262 HG CYS 36 HG CYS 36 -5.548 10.118 0.174 263 H SER 37 H SER 37 -10.185 9.559 0.064 264 HA SER 37 HA SER 37 -9.371 11.996 -1.262 265 HB2 SER 37 1HB SER 37 -10.779 10.171 -2.290 266 HB3 SER 37 2HB SER 37 -12.114 10.695 -1.237 267 HG SER 37 HG SER 37 -12.445 11.807 -2.983 268 H LYS 38 H LYS 38 -10.608 11.294 1.858 269 HA LYS 38 HA LYS 38 -12.344 13.598 2.125 270 HB2 LYS 38 1HB LYS 38 -10.977 11.914 4.245 271 HB3 LYS 38 2HB LYS 38 -12.274 13.080 4.521 272 HG2 LYS 38 1HG LYS 38 -13.769 11.753 3.036 273 HG3 LYS 38 2HG LYS 38 -12.501 10.573 2.775 274 HD2 LYS 38 1HD LYS 38 -12.463 9.878 5.038 275 HD3 LYS 38 2HD LYS 38 -13.478 11.248 5.562 276 HE2 LYS 38 1HE LYS 38 -15.388 10.367 4.381 277 HE3 LYS 38 2HE LYS 38 -14.443 9.057 3.660 278 HZ1 LYS 38 3HZ LYS 38 -14.275 8.021 5.750 279 HZ2 LYS 38 1HZ LYS 38 -15.824 8.496 5.607 280 HZ3 LYS 38 2HZ LYS 38 -14.827 9.368 6.584 281 H TYR 39 H TYR 39 -8.935 13.463 1.832 282 HA TYR 39 HA TYR 39 -8.577 15.968 3.424 283 HB2 TYR 39 1HB TYR 39 -6.649 13.682 2.955 284 HB3 TYR 39 2HB TYR 39 -6.288 15.157 3.843 285 HD1 TYR 39 2HD TYR 39 -8.458 12.102 3.843 286 HD2 TYR 39 1HD TYR 39 -6.821 15.337 6.199 287 HE1 TYR 39 2HE TYR 39 -9.446 11.136 5.835 288 HE2 TYR 39 1HE TYR 39 -7.730 14.290 8.256 289 HH TYR 39 HH TYR 39 -9.878 11.405 8.092 290 H GLY 40 H GLY 40 -8.761 14.998 0.256 291 HA2 GLY 40 1HA GLY 40 -7.951 17.048 -1.238 292 HA3 GLY 40 2HA GLY 40 -6.401 16.249 -0.885 293 H LEU 41 H LEU 41 -6.557 15.762 -3.337 294 HA LEU 41 HA LEU 41 -8.354 13.452 -3.777 295 HB2 LEU 41 1HB LEU 41 -8.340 15.588 -5.150 296 HB3 LEU 41 2HB LEU 41 -6.894 15.018 -5.876 297 HG LEU 41 HG LEU 41 -9.142 14.632 -7.085 298 HD11 LEU 41 1HD1 LEU 41 -7.074 12.467 -6.769 299 HD12 LEU 41 2HD1 LEU 41 -7.381 13.563 -8.125 300 HD13 LEU 41 3HD1 LEU 41 -8.499 12.238 -7.805 301 HD21 LEU 41 3HD2 LEU 41 -9.360 12.211 -5.275 302 HD22 LEU 41 1HD2 LEU 41 -10.462 12.734 -6.559 303 HD23 LEU 41 2HD2 LEU 41 -10.334 13.702 -5.083 304 H VAL 42 H VAL 42 -7.571 11.668 -3.417 305 HA VAL 42 HA VAL 42 -4.787 10.831 -3.814 306 HB VAL 42 HB VAL 42 -5.786 9.665 -2.102 307 HG11 VAL 42 1HG1 VAL 42 -8.207 9.105 -3.845 308 HG12 VAL 42 2HG1 VAL 42 -7.875 8.354 -2.266 309 HG13 VAL 42 3HG1 VAL 42 -8.141 10.090 -2.369 310 HG21 VAL 42 3HG2 VAL 42 -4.527 8.235 -3.740 311 HG22 VAL 42 1HG2 VAL 42 -5.726 7.342 -2.786 312 HG23 VAL 42 2HG2 VAL 42 -6.068 7.767 -4.473 313 H LYS 43 H LYS 43 -4.002 10.555 -5.634 314 HA LYS 43 HA LYS 43 -5.243 10.578 -8.226 315 HB2 LYS 43 1HB LYS 43 -2.891 11.314 -7.695 316 HB3 LYS 43 2HB LYS 43 -2.506 9.665 -7.220 317 HG2 LYS 43 1HG LYS 43 -1.624 9.891 -9.368 318 HG3 LYS 43 2HG LYS 43 -3.078 8.922 -9.556 319 HD2 LYS 43 1HD LYS 43 -3.935 11.622 -9.901 320 HD3 LYS 43 2HD LYS 43 -2.344 11.520 -10.697 321 HE2 LYS 43 1HE LYS 43 -3.120 9.434 -11.843 322 HE3 LYS 43 2HE LYS 43 -4.737 9.696 -11.143 323 HZ1 LYS 43 3HZ LYS 43 -3.325 11.593 -12.904 324 HZ2 LYS 43 1HZ LYS 43 -4.888 11.730 -12.360 325 HZ3 LYS 43 2HZ LYS 43 -4.458 10.523 -13.401 326 H SER 44 H SER 44 -3.327 7.978 -6.665 327 HA SER 44 HA SER 44 -5.449 6.056 -6.754 328 HB2 SER 44 1HB SER 44 -4.289 6.355 -9.234 329 HB3 SER 44 2HB SER 44 -3.265 5.088 -8.541 330 HG SER 44 HG SER 44 -5.355 4.619 -9.696 331 H ILE 45 H ILE 45 -4.019 3.728 -6.621 332 HA ILE 45 HA ILE 45 -2.283 4.067 -4.230 333 HB ILE 45 HB ILE 45 -4.743 2.305 -4.612 334 HG12 ILE 45 1HG1 ILE 45 -4.419 4.171 -2.258 335 HG13 ILE 45 2HG1 ILE 45 -4.830 4.889 -3.802 336 HG21 ILE 45 1HG2 ILE 45 -3.059 1.046 -3.360 337 HG22 ILE 45 2HG2 ILE 45 -2.823 2.408 -2.249 338 HG23 ILE 45 3HG2 ILE 45 -4.363 1.521 -2.276 339 HD11 ILE 45 3HD1 ILE 45 -6.428 2.675 -2.463 340 HD12 ILE 45 1HD1 ILE 45 -6.839 4.400 -2.495 341 HD13 ILE 45 2HD1 ILE 45 -6.818 3.477 -4.003 342 H GLU 46 H GLU 46 -0.705 2.495 -4.050 343 HA GLU 46 HA GLU 46 -0.350 0.635 -6.355 344 HB2 GLU 46 1HB GLU 46 0.933 2.646 -6.722 345 HB3 GLU 46 2HB GLU 46 1.635 2.554 -5.127 346 HG2 GLU 46 1HG GLU 46 3.201 1.842 -6.868 347 HG3 GLU 46 2HG GLU 46 2.869 0.525 -5.715 348 H ILE 47 H ILE 47 -0.235 -1.403 -5.677 349 HA ILE 47 HA ILE 47 0.585 -2.056 -2.900 350 HB ILE 47 HB ILE 47 -1.721 -3.236 -4.468 351 HG12 ILE 47 1HG1 ILE 47 -1.717 -0.990 -2.441 352 HG13 ILE 47 2HG1 ILE 47 -2.325 -0.977 -4.100 353 HG21 ILE 47 1HG2 ILE 47 -0.957 -3.473 -1.510 354 HG22 ILE 47 2HG2 ILE 47 -2.305 -4.278 -2.319 355 HG23 ILE 47 3HG2 ILE 47 -0.659 -4.716 -2.735 356 HD11 ILE 47 3HD1 ILE 47 -4.197 -1.054 -2.621 357 HD12 ILE 47 1HD1 ILE 47 -4.084 -2.628 -3.442 358 HD13 ILE 47 2HD1 ILE 47 -3.533 -2.437 -1.752 359 HA PRO 48 HA PRO 48 3.111 -4.869 -5.578 360 HB2 PRO 48 1HB PRO 48 5.048 -5.256 -3.648 361 HB3 PRO 48 2HB PRO 48 5.106 -3.965 -4.887 362 HG2 PRO 48 1HG PRO 48 4.138 -3.785 -2.020 363 HG3 PRO 48 2HG PRO 48 5.205 -2.666 -2.911 364 HD2 PRO 48 1HD PRO 48 2.591 -2.138 -2.582 365 HD3 PRO 48 2HD PRO 48 3.419 -1.732 -4.120 366 H ARG 49 H ARG 49 2.417 -6.935 -5.547 367 HA ARG 49 HA ARG 49 1.533 -8.151 -2.989 368 HB2 ARG 49 1HB ARG 49 -0.144 -9.403 -4.279 369 HB3 ARG 49 2HB ARG 49 -0.460 -7.681 -4.287 370 HG2 ARG 49 1HG ARG 49 1.089 -8.762 -6.630 371 HG3 ARG 49 2HG ARG 49 -0.562 -9.346 -6.451 372 HD2 ARG 49 1HD ARG 49 -1.427 -7.037 -6.401 373 HD3 ARG 49 2HD ARG 49 0.222 -6.403 -6.499 374 HE ARG 49 HE ARG 49 0.251 -6.782 -8.741 375 HH11 ARG 49 1HH1 ARG 49 -2.617 -8.549 -7.456 376 HH12 ARG 49 2HH1 ARG 49 -3.143 -8.941 -9.075 377 HH21 ARG 49 1HH2 ARG 49 -0.598 -7.272 -10.768 378 HH22 ARG 49 2HH2 ARG 49 -2.058 -8.228 -10.867 379 HA PRO 50 HA PRO 50 4.576 -11.214 -3.981 380 HB2 PRO 50 1HB PRO 50 3.657 -13.462 -2.830 381 HB3 PRO 50 2HB PRO 50 4.109 -12.045 -1.837 382 HG2 PRO 50 1HG PRO 50 1.326 -12.804 -2.788 383 HG3 PRO 50 2HG PRO 50 1.842 -12.418 -1.124 384 HD2 PRO 50 1HD PRO 50 0.752 -10.539 -2.722 385 HD3 PRO 50 2HD PRO 50 2.075 -10.131 -1.612 386 H VAL 51 H VAL 51 5.056 -12.705 -5.402 387 HA VAL 51 HA VAL 51 3.018 -13.520 -7.394 388 HB VAL 51 HB VAL 51 5.991 -13.913 -7.637 389 HG11 VAL 51 1HG1 VAL 51 3.746 -13.535 -9.652 390 HG12 VAL 51 2HG1 VAL 51 5.476 -13.493 -10.086 391 HG13 VAL 51 3HG1 VAL 51 4.785 -14.950 -9.408 392 HG21 VAL 51 3HG2 VAL 51 4.556 -11.266 -8.094 393 HG22 VAL 51 1HG2 VAL 51 5.998 -11.571 -7.129 394 HG23 VAL 51 2HG2 VAL 51 6.096 -11.674 -8.870 395 H ASP 52 H ASP 52 3.403 -15.726 -8.239 396 HA ASP 52 HA ASP 52 3.166 -17.798 -6.327 397 HB2 ASP 52 1HB ASP 52 3.337 -17.447 -9.308 398 HB3 ASP 52 2HB ASP 52 3.560 -19.062 -8.632 399 H GLY 53 H GLY 53 5.031 -17.400 -5.211 400 HA2 GLY 53 1HA GLY 53 7.023 -18.516 -4.498 401 HA3 GLY 53 2HA GLY 53 7.343 -19.008 -6.171 402 H VAL 54 H VAL 54 6.618 -15.588 -6.092 403 HA VAL 54 HA VAL 54 9.505 -15.004 -5.610 404 HB VAL 54 HB VAL 54 8.032 -13.401 -7.670 405 HG11 VAL 54 1HG1 VAL 54 10.911 -14.251 -7.344 406 HG12 VAL 54 2HG1 VAL 54 10.281 -13.107 -8.549 407 HG13 VAL 54 3HG1 VAL 54 10.201 -12.713 -6.825 408 HG21 VAL 54 3HG2 VAL 54 9.284 -16.101 -8.256 409 HG22 VAL 54 1HG2 VAL 54 7.603 -15.640 -8.572 410 HG23 VAL 54 2HG2 VAL 54 8.902 -14.886 -9.493 411 H GLU 55 H GLU 55 9.868 -13.441 -4.232 412 HA GLU 55 HA GLU 55 7.780 -12.001 -2.874 413 HB2 GLU 55 1HB GLU 55 10.450 -10.721 -2.856 414 HB3 GLU 55 2HB GLU 55 9.308 -11.083 -1.563 415 HG2 GLU 55 1HG GLU 55 11.089 -12.355 -1.087 416 HG3 GLU 55 2HG GLU 55 10.016 -13.539 -1.831 417 H VAL 56 H VAL 56 7.900 -9.567 -2.840 418 HA VAL 56 HA VAL 56 8.699 -8.264 -5.355 419 HB VAL 56 HB VAL 56 6.852 -6.592 -4.370 420 HG11 VAL 56 1HG1 VAL 56 6.245 -8.822 -6.341 421 HG12 VAL 56 2HG1 VAL 56 5.356 -7.294 -6.207 422 HG13 VAL 56 3HG1 VAL 56 7.054 -7.298 -6.733 423 HG21 VAL 56 3HG2 VAL 56 6.066 -8.256 -2.687 424 HG22 VAL 56 1HG2 VAL 56 4.799 -7.646 -3.751 425 HG23 VAL 56 2HG2 VAL 56 5.498 -9.270 -4.015 426 HA PRO 57 HA PRO 57 10.944 -5.853 -2.319 427 HB2 PRO 57 1HB PRO 57 11.585 -3.658 -3.742 428 HB3 PRO 57 2HB PRO 57 12.333 -5.233 -4.105 429 HG2 PRO 57 1HG PRO 57 10.005 -3.919 -5.534 430 HG3 PRO 57 2HG PRO 57 11.445 -4.698 -6.251 431 HD2 PRO 57 1HD PRO 57 9.026 -5.986 -5.916 432 HD3 PRO 57 2HD PRO 57 10.588 -6.851 -5.853 433 H GLY 58 H GLY 58 10.182 -4.351 -0.783 434 HA2 GLY 58 1HA GLY 58 8.920 -2.653 0.126 435 HA3 GLY 58 2HA GLY 58 8.314 -2.236 -1.469 436 H CYS 59 H CYS 59 7.945 -5.546 -0.490 437 HA CYS 59 HA CYS 59 5.081 -5.390 -0.409 438 HB2 CYS 59 1HB CYS 59 6.782 -7.313 -1.006 439 HB3 CYS 59 2HB CYS 59 6.774 -7.630 0.724 440 HG CYS 59 HG CYS 59 5.236 -9.356 -0.354 441 H GLY 60 H GLY 60 3.749 -5.913 1.415 442 HA2 GLY 60 1HA GLY 60 3.160 -5.995 3.690 443 HA3 GLY 60 2HA GLY 60 4.854 -5.727 4.127 444 H LYS 61 H LYS 61 3.994 -3.417 1.764 445 HA LYS 61 HA LYS 61 2.620 -1.724 3.575 446 HB2 LYS 61 1HB LYS 61 3.952 0.223 3.096 447 HB3 LYS 61 2HB LYS 61 4.585 -0.962 4.248 448 HG2 LYS 61 1HG LYS 61 5.438 -0.884 1.411 449 HG3 LYS 61 2HG LYS 61 6.111 0.230 2.586 450 HD2 LYS 61 1HD LYS 61 6.622 -2.114 3.887 451 HD3 LYS 61 2HD LYS 61 6.560 -2.733 2.202 452 HE2 LYS 61 1HE LYS 61 7.989 -0.847 1.512 453 HE3 LYS 61 2HE LYS 61 8.077 -0.290 3.187 454 HZ1 LYS 61 3HZ LYS 61 9.091 -2.954 2.353 455 HZ2 LYS 61 1HZ LYS 61 9.501 -2.118 3.699 456 HZ3 LYS 61 2HZ LYS 61 9.971 -1.603 2.197 457 H ILE 62 H ILE 62 1.984 0.360 2.203 458 HA ILE 62 HA ILE 62 1.317 -0.348 -0.599 459 HB ILE 62 HB ILE 62 -0.516 0.682 1.624 460 HG12 ILE 62 1HG1 ILE 62 -0.545 -1.525 -0.513 461 HG13 ILE 62 2HG1 ILE 62 -0.267 -1.774 1.201 462 HG21 ILE 62 1HG2 ILE 62 -1.008 0.936 -1.363 463 HG22 ILE 62 2HG2 ILE 62 -2.214 1.176 -0.078 464 HG23 ILE 62 3HG2 ILE 62 -0.848 2.257 -0.182 465 HD11 ILE 62 3HD1 ILE 62 -2.474 -2.512 0.575 466 HD12 ILE 62 1HD1 ILE 62 -2.599 -1.129 1.677 467 HD13 ILE 62 2HD1 ILE 62 -2.889 -0.921 -0.066 468 H PHE 63 H PHE 63 1.302 1.539 -1.913 469 HA PHE 63 HA PHE 63 2.345 4.033 -0.676 470 HB2 PHE 63 1HB PHE 63 2.867 3.169 -3.495 471 HB3 PHE 63 2HB PHE 63 3.585 4.498 -2.582 472 HD1 PHE 63 1HD PHE 63 5.081 3.984 -0.599 473 HD2 PHE 63 2HD PHE 63 3.671 0.898 -3.259 474 HE1 PHE 63 1HE PHE 63 6.693 2.382 0.403 475 HE2 PHE 63 2HE PHE 63 5.257 -0.678 -2.246 476 HZ PHE 63 HZ PHE 63 6.819 0.048 -0.455 477 H VAL 64 H VAL 64 1.292 6.003 -1.585 478 HA VAL 64 HA VAL 64 -1.118 5.610 -3.163 479 HB VAL 64 HB VAL 64 -1.806 5.359 -0.742 480 HG11 VAL 64 1HG1 VAL 64 -0.262 7.044 0.271 481 HG12 VAL 64 2HG1 VAL 64 -1.158 8.326 -0.551 482 HG13 VAL 64 3HG1 VAL 64 -1.960 7.349 0.682 483 HG21 VAL 64 3HG2 VAL 64 -3.012 7.840 -1.991 484 HG22 VAL 64 1HG2 VAL 64 -3.341 6.199 -2.560 485 HG23 VAL 64 2HG2 VAL 64 -3.781 6.662 -0.903 486 H GLU 65 H GLU 65 -1.677 7.702 -4.160 487 HA GLU 65 HA GLU 65 0.532 9.694 -4.052 488 HB2 GLU 65 1HB GLU 65 1.084 8.190 -5.726 489 HB3 GLU 65 2HB GLU 65 -0.578 8.082 -6.361 490 HG2 GLU 65 1HG GLU 65 -0.384 10.278 -7.294 491 HG3 GLU 65 2HG GLU 65 1.153 10.568 -6.490 492 H PHE 66 H PHE 66 -0.099 11.807 -4.462 493 HA PHE 66 HA PHE 66 -3.045 12.247 -4.598 494 HB2 PHE 66 1HB PHE 66 -0.871 13.759 -3.120 495 HB3 PHE 66 2HB PHE 66 -2.425 14.470 -3.463 496 HD1 PHE 66 1HD PHE 66 -0.898 11.496 -1.747 497 HD2 PHE 66 2HD PHE 66 -4.279 14.161 -2.087 498 HE1 PHE 66 1HE PHE 66 -1.894 10.514 0.306 499 HE2 PHE 66 2HE PHE 66 -5.253 13.190 -0.019 500 HZ PHE 66 HZ PHE 66 -4.034 11.386 1.179 501 H THR 67 H THR 67 -3.644 14.379 -5.460 502 HA THR 67 HA THR 67 -2.532 14.910 -8.020 503 HB THR 67 HB THR 67 -4.116 16.943 -7.738 504 HG1 THR 67 1HG THR 67 -4.194 16.996 -5.386 505 HG21 THR 67 3HG2 THR 67 -5.176 14.103 -7.281 506 HG22 THR 67 1HG2 THR 67 -4.831 14.848 -8.853 507 HG23 THR 67 2HG2 THR 67 -6.145 15.464 -7.822 508 H SER 68 H SER 68 -1.518 16.094 -4.817 509 HA SER 68 HA SER 68 0.593 17.557 -6.095 510 HB2 SER 68 1HB SER 68 -1.553 19.102 -6.048 511 HB3 SER 68 2HB SER 68 -1.242 19.166 -4.305 512 HG SER 68 HG SER 68 -0.383 20.843 -5.736 513 H VAL 69 H VAL 69 2.129 18.117 -4.659 514 HA VAL 69 HA VAL 69 2.659 16.844 -2.239 515 HB VAL 69 HB VAL 69 3.665 19.599 -3.006 516 HG11 VAL 69 1HG1 VAL 69 4.421 18.943 -0.825 517 HG12 VAL 69 2HG1 VAL 69 4.805 17.286 -1.380 518 HG13 VAL 69 3HG1 VAL 69 5.781 18.669 -1.913 519 HG21 VAL 69 3HG2 VAL 69 5.518 18.457 -4.210 520 HG22 VAL 69 1HG2 VAL 69 4.693 16.908 -4.004 521 HG23 VAL 69 2HG2 VAL 69 3.971 18.197 -5.002 522 H PHE 70 H PHE 70 0.895 19.929 -2.778 523 HA PHE 70 HA PHE 70 0.857 20.535 0.075 524 HB2 PHE 70 1HB PHE 70 -0.195 21.661 -2.486 525 HB3 PHE 70 2HB PHE 70 -1.042 22.145 -1.030 526 HD1 PHE 70 1HD PHE 70 0.503 22.891 1.034 527 HD2 PHE 70 2HD PHE 70 1.745 22.959 -3.095 528 HE1 PHE 70 1HE PHE 70 2.289 24.505 1.599 529 HE2 PHE 70 2HE PHE 70 3.575 24.512 -2.503 530 HZ PHE 70 HZ PHE 70 3.841 25.321 -0.163 531 H ASP 71 H ASP 71 -1.012 18.334 -1.730 532 HA ASP 71 HA ASP 71 -3.434 18.560 0.007 533 HB2 ASP 71 1HB ASP 71 -2.795 16.730 -2.365 534 HB3 ASP 71 2HB ASP 71 -4.333 16.853 -1.522 535 H CYS 72 H CYS 72 -0.732 16.419 -0.790 536 HA CYS 72 HA CYS 72 -1.711 14.208 0.734 537 HB2 CYS 72 1HB CYS 72 0.548 13.302 0.414 538 HB3 CYS 72 2HB CYS 72 -0.120 13.927 -1.081 539 HG CYS 72 HG CYS 72 1.127 16.298 -0.824 540 H GLN 73 H GLN 73 0.687 16.725 1.581 541 HA GLN 73 HA GLN 73 1.202 16.412 4.186 542 HB2 GLN 73 1HB GLN 73 0.851 18.713 2.266 543 HB3 GLN 73 2HB GLN 73 0.936 19.156 3.950 544 HG2 GLN 73 1HG GLN 73 3.149 19.194 2.891 545 HG3 GLN 73 2HG GLN 73 3.089 18.047 4.228 546 HE21 GLN 73 1HE2 GLN 73 3.851 18.356 0.850 547 HE22 GLN 73 2HE2 GLN 73 4.027 16.628 0.583 548 H LYS 74 H LYS 74 -2.101 16.755 3.159 549 HA LYS 74 HA LYS 74 -2.825 17.771 5.800 550 HB2 LYS 74 1HB LYS 74 -4.596 17.241 3.374 551 HB3 LYS 74 2HB LYS 74 -5.013 18.077 4.873 552 HG2 LYS 74 1HG LYS 74 -2.903 19.616 4.114 553 HG3 LYS 74 2HG LYS 74 -3.371 18.991 2.535 554 HD2 LYS 74 1HD LYS 74 -5.745 19.858 3.083 555 HD3 LYS 74 2HD LYS 74 -5.012 20.662 4.488 556 HE2 LYS 74 1HE LYS 74 -3.312 21.678 2.929 557 HE3 LYS 74 2HE LYS 74 -4.183 20.983 1.562 558 HZ1 LYS 74 3HZ LYS 74 -5.143 23.066 3.422 559 HZ2 LYS 74 1HZ LYS 74 -6.108 22.370 2.271 560 HZ3 LYS 74 2HZ LYS 74 -4.786 23.233 1.827 561 H ALA 75 H ALA 75 -3.157 15.049 3.557 562 HA ALA 75 HA ALA 75 -4.643 13.296 5.303 563 HB1 ALA 75 1HB ALA 75 -4.450 13.038 2.835 564 HB2 ALA 75 2HB ALA 75 -2.721 12.670 3.009 565 HB3 ALA 75 3HB ALA 75 -3.918 11.574 3.684 566 H MET 76 H MET 76 -1.197 13.845 4.756 567 HA MET 76 HA MET 76 -0.020 11.646 5.509 568 HB2 MET 76 1HB MET 76 0.939 13.634 4.548 569 HB3 MET 76 2HB MET 76 0.833 14.510 6.090 570 HG2 MET 76 1HG MET 76 2.822 12.527 5.092 571 HG3 MET 76 2HG MET 76 3.019 14.220 5.505 572 HE1 MET 76 3HE MET 76 2.700 10.825 6.485 573 HE2 MET 76 1HE MET 76 4.420 11.221 6.291 574 HE3 MET 76 2HE MET 76 3.816 10.623 7.879 575 H GLN 77 H GLN 77 -0.840 14.180 7.944 576 HA GLN 77 HA GLN 77 -0.219 12.132 10.072 577 HB2 GLN 77 1HB GLN 77 -0.941 15.076 10.350 578 HB3 GLN 77 2HB GLN 77 -0.567 13.954 11.652 579 HG2 GLN 77 1HG GLN 77 1.727 13.635 10.592 580 HG3 GLN 77 2HG GLN 77 1.342 14.991 9.523 581 HE21 GLN 77 1HE2 GLN 77 3.543 15.387 11.129 582 HE22 GLN 77 2HE2 GLN 77 3.142 16.372 12.530 583 H GLY 78 H GLY 78 -2.973 13.794 8.547 584 HA2 GLY 78 1HA GLY 78 -4.802 13.472 10.697 585 HA3 GLY 78 2HA GLY 78 -5.207 13.821 9.012 586 H LEU 79 H LEU 79 -3.623 11.109 8.544 587 HA LEU 79 HA LEU 79 -5.856 9.235 9.221 588 HB2 LEU 79 1HB LEU 79 -4.132 9.534 6.755 589 HB3 LEU 79 2HB LEU 79 -5.092 8.095 7.057 590 HG LEU 79 HG LEU 79 -6.353 10.843 6.904 591 HD11 LEU 79 1HD1 LEU 79 -6.195 8.745 4.714 592 HD12 LEU 79 2HD1 LEU 79 -5.198 10.208 4.781 593 HD13 LEU 79 3HD1 LEU 79 -6.960 10.322 4.622 594 HD21 LEU 79 3HD2 LEU 79 -7.423 7.977 6.891 595 HD22 LEU 79 1HD2 LEU 79 -8.395 9.352 6.414 596 HD23 LEU 79 2HD2 LEU 79 -7.782 9.276 8.067 597 H THR 80 H THR 80 -2.807 9.861 10.357 598 HA THR 80 HA THR 80 -1.681 7.217 9.911 599 HB THR 80 HB THR 80 -0.400 9.427 10.333 600 HG1 THR 80 1HG THR 80 1.145 8.154 10.517 601 HG21 THR 80 3HG2 THR 80 -0.627 8.458 13.208 602 HG22 THR 80 1HG2 THR 80 -1.428 9.929 12.592 603 HG23 THR 80 2HG2 THR 80 0.337 9.811 12.593 604 H GLY 81 H GLY 81 -1.788 5.442 11.431 605 HA2 GLY 81 1HA GLY 81 -2.385 4.308 13.340 606 HA3 GLY 81 2HA GLY 81 -3.066 5.783 14.029 607 H ARG 82 H ARG 82 -4.471 5.631 10.960 608 HA ARG 82 HA ARG 82 -6.969 4.610 11.897 609 HB2 ARG 82 1HB ARG 82 -5.759 5.230 9.166 610 HB3 ARG 82 2HB ARG 82 -7.412 4.699 9.344 611 HG2 ARG 82 1HG ARG 82 -6.358 7.158 10.752 612 HG3 ARG 82 2HG ARG 82 -7.056 7.199 9.138 613 HD2 ARG 82 1HD ARG 82 -9.214 6.524 9.902 614 HD3 ARG 82 2HD ARG 82 -8.597 6.066 11.488 615 HE ARG 82 HE ARG 82 -8.042 8.443 11.907 616 HH11 ARG 82 1HH1 ARG 82 -10.428 7.956 9.291 617 HH12 ARG 82 2HH1 ARG 82 -11.264 9.405 9.635 618 HH21 ARG 82 1HH2 ARG 82 -9.185 10.233 12.400 619 HH22 ARG 82 2HH2 ARG 82 -10.482 10.833 11.404 620 H LYS 83 H LYS 83 -8.013 2.829 10.432 621 HA LYS 83 HA LYS 83 -6.195 0.544 10.098 622 HB2 LYS 83 1HB LYS 83 -9.022 0.471 11.227 623 HB3 LYS 83 2HB LYS 83 -8.019 -0.929 10.886 624 HG2 LYS 83 1HG LYS 83 -7.059 -0.818 12.875 625 HG3 LYS 83 2HG LYS 83 -6.501 0.818 12.649 626 HD2 LYS 83 1HD LYS 83 -9.341 0.108 13.496 627 HD3 LYS 83 2HD LYS 83 -8.042 0.438 14.654 628 HE2 LYS 83 1HE LYS 83 -7.716 2.685 13.736 629 HE3 LYS 83 2HE LYS 83 -8.888 2.364 12.450 630 HZ1 LYS 83 3HZ LYS 83 -9.508 2.544 15.327 631 HZ2 LYS 83 1HZ LYS 83 -10.597 2.169 14.138 632 HZ3 LYS 83 2HZ LYS 83 -9.904 3.644 14.161 633 H PHE 84 H PHE 84 -6.071 0.598 7.867 634 HA PHE 84 HA PHE 84 -8.441 1.447 6.279 635 HB2 PHE 84 1HB PHE 84 -5.546 0.864 5.784 636 HB3 PHE 84 2HB PHE 84 -6.637 0.937 4.429 637 HD1 PHE 84 2HD PHE 84 -6.813 3.365 7.320 638 HD2 PHE 84 1HD PHE 84 -5.656 2.641 3.238 639 HE1 PHE 84 2HE PHE 84 -6.542 5.790 6.947 640 HE2 PHE 84 1HE PHE 84 -5.351 5.067 2.878 641 HZ PHE 84 HZ PHE 84 -5.879 6.646 4.695 642 H ALA 85 H ALA 85 -8.084 -1.128 7.788 643 HA ALA 85 HA ALA 85 -9.667 -2.776 6.192 644 HB1 ALA 85 1HB ALA 85 -6.803 -3.792 6.584 645 HB2 ALA 85 2HB ALA 85 -8.187 -4.822 6.148 646 HB3 ALA 85 3HB ALA 85 -7.659 -3.539 5.050 647 H ASN 86 H ASN 86 -7.168 -3.813 8.451 648 HA ASN 86 HA ASN 86 -8.973 -3.456 10.814 649 HB2 ASN 86 1HB ASN 86 -8.688 -5.888 9.519 650 HB3 ASN 86 2HB ASN 86 -7.462 -6.012 10.761 651 HD21 ASN 86 1HD2 ASN 86 -10.718 -6.444 10.086 652 HD22 ASN 86 2HD2 ASN 86 -11.384 -6.423 11.716 653 H ARG 87 H ARG 87 -5.675 -3.532 9.516 654 HA ARG 87 HA ARG 87 -4.512 -3.753 12.220 655 HB2 ARG 87 1HB ARG 87 -3.366 -3.735 9.400 656 HB3 ARG 87 2HB ARG 87 -2.342 -3.773 10.853 657 HG2 ARG 87 1HG ARG 87 -4.315 -5.817 11.211 658 HG3 ARG 87 2HG ARG 87 -3.775 -5.905 9.548 659 HD2 ARG 87 1HD ARG 87 -1.527 -6.359 10.152 660 HD3 ARG 87 2HD ARG 87 -1.752 -5.757 11.797 661 HE ARG 87 HE ARG 87 -2.168 -8.442 10.882 662 HH11 ARG 87 1HH1 ARG 87 -3.370 -6.102 13.237 663 HH12 ARG 87 2HH1 ARG 87 -3.834 -7.245 14.422 664 HH21 ARG 87 1HH2 ARG 87 -2.835 -9.989 12.303 665 HH22 ARG 87 2HH2 ARG 87 -3.478 -9.607 13.869 666 H VAL 88 H VAL 88 -2.558 -2.355 12.542 667 HA VAL 88 HA VAL 88 -3.763 0.360 12.599 668 HB VAL 88 HB VAL 88 -1.286 -0.446 14.189 669 HG11 VAL 88 1HG1 VAL 88 -1.824 1.951 14.098 670 HG12 VAL 88 2HG1 VAL 88 -3.507 1.634 14.551 671 HG13 VAL 88 3HG1 VAL 88 -2.200 1.335 15.709 672 HG21 VAL 88 3HG2 VAL 88 -4.212 -0.849 14.995 673 HG22 VAL 88 1HG2 VAL 88 -2.991 -2.123 14.808 674 HG23 VAL 88 2HG2 VAL 88 -2.824 -0.940 16.102 675 H VAL 89 H VAL 89 -3.216 1.680 11.048 676 HA VAL 89 HA VAL 89 -0.958 1.155 9.356 677 HB VAL 89 HB VAL 89 -3.221 3.202 9.398 678 HG11 VAL 89 1HG1 VAL 89 -1.552 4.194 7.993 679 HG12 VAL 89 2HG1 VAL 89 -1.363 2.673 7.072 680 HG13 VAL 89 3HG1 VAL 89 -2.904 3.576 7.047 681 HG21 VAL 89 3HG2 VAL 89 -3.881 0.779 9.096 682 HG22 VAL 89 1HG2 VAL 89 -4.245 1.773 7.697 683 HG23 VAL 89 2HG2 VAL 89 -2.811 0.699 7.689 684 H VAL 90 H VAL 90 0.784 2.497 8.849 685 HA VAL 90 HA VAL 90 1.317 4.864 10.605 686 HB VAL 90 HB VAL 90 3.204 2.583 9.870 687 HG11 VAL 90 1HG1 VAL 90 4.899 3.859 11.214 688 HG12 VAL 90 2HG1 VAL 90 4.443 4.688 9.723 689 HG13 VAL 90 3HG1 VAL 90 3.786 5.241 11.263 690 HG21 VAL 90 3HG2 VAL 90 2.268 3.631 12.573 691 HG22 VAL 90 1HG2 VAL 90 1.724 2.122 11.816 692 HG23 VAL 90 2HG2 VAL 90 3.419 2.303 12.303 693 H THR 91 H THR 91 1.429 6.624 9.304 694 HA THR 91 HA THR 91 1.897 6.362 6.454 695 HB THR 91 HB THR 91 1.994 8.902 6.673 696 HG1 THR 91 1HG THR 91 1.175 9.757 8.525 697 HG21 THR 91 3HG2 THR 91 -0.613 7.655 7.606 698 HG22 THR 91 1HG2 THR 91 -0.018 7.671 5.933 699 HG23 THR 91 2HG2 THR 91 -0.351 9.190 6.735 700 H LYS 92 H LYS 92 3.653 7.350 5.377 701 HA LYS 92 HA LYS 92 6.009 8.341 6.757 702 HB2 LYS 92 1HB LYS 92 5.876 5.608 6.100 703 HB3 LYS 92 2HB LYS 92 6.551 6.313 4.643 704 HG2 LYS 92 1HG LYS 92 8.360 7.364 5.951 705 HG3 LYS 92 2HG LYS 92 7.686 6.596 7.418 706 HD2 LYS 92 1HD LYS 92 7.852 4.371 6.231 707 HD3 LYS 92 2HD LYS 92 8.707 5.179 4.909 708 HE2 LYS 92 1HE LYS 92 10.572 5.700 6.267 709 HE3 LYS 92 2HE LYS 92 9.667 5.405 7.774 710 HZ1 LYS 92 3HZ LYS 92 11.166 3.612 7.234 711 HZ2 LYS 92 1HZ LYS 92 10.380 3.299 5.824 712 HZ3 LYS 92 2HZ LYS 92 9.628 3.076 7.290 713 H TYR 93 H TYR 93 7.371 9.439 4.967 714 HA TYR 93 HA TYR 93 5.772 10.096 2.577 715 HB2 TYR 93 1HB TYR 93 8.572 10.835 3.464 716 HB3 TYR 93 2HB TYR 93 7.889 11.314 1.911 717 HD1 TYR 93 2HD TYR 93 5.202 12.289 2.419 718 HD2 TYR 93 1HD TYR 93 8.711 12.681 4.902 719 HE1 TYR 93 2HE TYR 93 4.256 14.269 3.461 720 HE2 TYR 93 1HE TYR 93 7.760 14.691 5.951 721 HH TYR 93 HH TYR 93 6.012 16.285 5.826 722 H CYS 94 H CYS 94 6.608 9.427 0.400 723 HA CYS 94 HA CYS 94 8.748 7.401 0.441 724 HB2 CYS 94 1HB CYS 94 6.089 6.727 -0.185 725 HB3 CYS 94 2HB CYS 94 6.811 7.050 -1.764 726 HG CYS 94 HG CYS 94 8.239 5.110 -1.968 727 H ASP 95 H ASP 95 8.904 7.235 -2.412 728 HA ASP 95 HA ASP 95 9.569 10.031 -3.197 729 HB2 ASP 95 1HB ASP 95 10.911 7.472 -4.101 730 HB3 ASP 95 2HB ASP 95 11.337 9.119 -4.571 731 HA PRO 96 HA PRO 96 6.516 8.934 -6.291 732 HB2 PRO 96 1HB PRO 96 6.731 10.997 -8.062 733 HB3 PRO 96 2HB PRO 96 6.109 11.229 -6.409 734 HG2 PRO 96 1HG PRO 96 8.905 11.670 -7.416 735 HG3 PRO 96 2HG PRO 96 7.928 12.782 -6.415 736 HD2 PRO 96 1HD PRO 96 9.816 11.133 -5.349 737 HD3 PRO 96 2HD PRO 96 8.283 11.475 -4.496 738 H ASP 97 H ASP 97 9.928 9.408 -7.374 739 HA ASP 97 HA ASP 97 9.428 8.654 -10.063 740 HB2 ASP 97 1HB ASP 97 11.737 9.263 -8.469 741 HB3 ASP 97 2HB ASP 97 11.989 7.667 -9.209 742 H SER 98 H SER 98 10.306 6.710 -7.201 743 HA SER 98 HA SER 98 10.361 4.285 -8.667 744 HB2 SER 98 1HB SER 98 10.142 3.315 -6.211 745 HB3 SER 98 2HB SER 98 11.613 4.111 -6.774 746 HG SER 98 HG SER 98 9.633 5.064 -4.996 747 H TYR 99 H TYR 99 7.778 6.271 -7.517 748 HA TYR 99 HA TYR 99 5.765 4.288 -6.901 749 HB2 TYR 99 1HB TYR 99 5.917 6.690 -5.984 750 HB3 TYR 99 2HB TYR 99 5.364 7.246 -7.570 751 HD1 TYR 99 2HD TYR 99 3.062 6.654 -8.461 752 HD2 TYR 99 1HD TYR 99 4.360 6.002 -4.395 753 HE1 TYR 99 2HE TYR 99 0.798 6.016 -7.871 754 HE2 TYR 99 1HE TYR 99 2.064 5.603 -3.756 755 HH TYR 99 HH TYR 99 -0.629 5.603 -6.127 756 H HIS 100 H HIS 100 6.450 6.528 -9.585 757 HA HIS 100 HA HIS 100 4.383 5.663 -11.350 758 HB2 HIS 100 1HB HIS 100 7.178 6.668 -12.025 759 HB3 HIS 100 2HB HIS 100 5.757 6.751 -13.060 760 HD1 HIS 100 1HD HIS 100 7.691 9.203 -11.675 761 HD2 HIS 100 2HD HIS 100 3.703 8.070 -10.817 762 HE1 HIS 100 1HE HIS 100 6.588 11.205 -10.656 763 H ARG 101 H ARG 101 6.858 3.798 -10.107 764 HA ARG 101 HA ARG 101 7.336 2.099 -12.476 765 HB2 ARG 101 1HB ARG 101 9.408 3.455 -10.683 766 HB3 ARG 101 2HB ARG 101 9.772 2.187 -11.853 767 HG2 ARG 101 1HG ARG 101 8.777 3.619 -13.668 768 HG3 ARG 101 2HG ARG 101 8.572 4.921 -12.493 769 HD2 ARG 101 1HD ARG 101 10.524 5.382 -13.750 770 HD3 ARG 101 2HD ARG 101 11.001 4.975 -12.109 771 HE ARG 101 HE ARG 101 11.055 3.042 -14.417 772 HH11 ARG 101 1HH1 ARG 101 12.668 4.370 -11.507 773 HH12 ARG 101 2HH1 ARG 101 14.038 3.332 -11.664 774 HH21 ARG 101 1HH2 ARG 101 12.877 1.662 -14.549 775 HH22 ARG 101 2HH2 ARG 101 14.078 1.681 -13.288 776 H ARG 102 H ARG 102 9.164 0.389 -11.075 777 HA ARG 102 HA ARG 102 7.398 -0.726 -8.970 778 HB2 ARG 102 1HB ARG 102 7.447 -1.574 -11.510 779 HB3 ARG 102 2HB ARG 102 8.858 -2.453 -10.966 780 HG2 ARG 102 1HG ARG 102 6.077 -2.570 -9.688 781 HG3 ARG 102 2HG ARG 102 6.633 -3.602 -10.999 782 HD2 ARG 102 1HD ARG 102 8.557 -4.319 -9.444 783 HD3 ARG 102 2HD ARG 102 7.661 -3.536 -8.147 784 HE ARG 102 HE ARG 102 6.032 -5.191 -8.232 785 HH11 ARG 102 1HH1 ARG 102 8.059 -5.534 -11.174 786 HH12 ARG 102 2HH1 ARG 102 7.486 -7.109 -11.519 787 HH21 ARG 102 1HH2 ARG 102 5.486 -7.468 -8.639 788 HH22 ARG 102 2HH2 ARG 102 6.272 -8.288 -9.953 789 H ASP 103 H ASP 103 9.509 0.949 -8.348 790 HA ASP 103 HA ASP 103 11.744 -0.857 -7.564 791 HB2 ASP 103 1HB ASP 103 12.086 1.084 -9.375 792 HB3 ASP 103 2HB ASP 103 12.309 2.064 -7.953 793 H PHE 104 H PHE 104 9.609 -0.751 -5.955 794 HA PHE 104 HA PHE 104 9.844 1.170 -3.798 795 HB2 PHE 104 1HB PHE 104 8.664 -1.569 -3.501 796 HB3 PHE 104 2HB PHE 104 8.087 -0.044 -2.825 797 HD1 PHE 104 1HD PHE 104 7.482 1.720 -4.989 798 HD2 PHE 104 2HD PHE 104 7.275 -2.592 -5.030 799 HE1 PHE 104 1HE PHE 104 5.924 1.797 -6.927 800 HE2 PHE 104 2HE PHE 104 5.719 -2.488 -6.967 801 HZ PHE 104 HZ PHE 104 5.031 -0.293 -7.890 802 H TRP 105 H TRP 105 10.329 0.113 -1.389 803 HA TRP 105 HA TRP 105 12.117 -2.148 -1.554 804 HB2 TRP 105 1HB TRP 105 13.500 0.069 -1.777 805 HB3 TRP 105 2HB TRP 105 13.160 0.262 -0.054 806 HD1 TRP 105 HD TRP 105 14.463 -2.492 -2.446 807 HE1 TRP 105 1HE TRP 105 16.382 -3.758 -1.391 808 HE3 TRP 105 3HE TRP 105 14.643 -0.013 2.038 809 HZ2 TRP 105 2HZ TRP 105 17.901 -3.655 1.090 810 HZ3 TRP 105 3HZ TRP 105 16.411 -0.540 3.677 811 HH2 TRP 105 HH TRP 105 18.061 -2.343 3.220 Start of MODEL 15 1 H1 GLY 1 H GLY 1 14.030 14.848 7.258 2 HA2 GLY 1 1HA GLY 1 15.876 14.843 5.616 3 HA3 GLY 1 2HA GLY 1 16.111 13.133 6.017 4 H GLY 2 H GLY 2 15.546 14.205 3.428 5 HA2 GLY 2 1HA GLY 2 14.276 13.525 1.610 6 HA3 GLY 2 2HA GLY 2 13.061 12.827 2.698 7 H HIS 3 H HIS 3 13.158 15.003 0.427 8 HA HIS 3 HA HIS 3 11.670 17.209 1.686 9 HB2 HIS 3 1HB HIS 3 11.212 17.892 -0.617 10 HB3 HIS 3 2HB HIS 3 12.929 17.670 -0.367 11 HD1 HIS 3 1HD HIS 3 13.902 15.158 -1.463 12 HD2 HIS 3 2HD HIS 3 10.204 16.767 -2.717 13 HE1 HIS 3 1HE HIS 3 13.334 14.028 -3.643 14 HA PRO 4 HA PRO 4 7.842 14.872 1.590 15 HB2 PRO 4 1HB PRO 4 5.959 16.857 1.350 16 HB3 PRO 4 2HB PRO 4 6.895 16.594 2.856 17 HG2 PRO 4 1HG PRO 4 7.427 18.614 0.656 18 HG3 PRO 4 2HG PRO 4 7.456 18.863 2.431 19 HD2 PRO 4 1HD PRO 4 9.724 18.460 1.003 20 HD3 PRO 4 2HD PRO 4 9.531 17.853 2.672 21 H THR 5 H THR 5 6.427 13.999 -0.039 22 HA THR 5 HA THR 5 6.449 15.265 -2.700 23 HB THR 5 HB THR 5 7.043 13.231 -3.803 24 HG1 THR 5 1HG THR 5 7.782 11.736 -1.641 25 HG21 THR 5 3HG2 THR 5 9.387 12.900 -3.123 26 HG22 THR 5 1HG2 THR 5 9.069 13.615 -1.550 27 HG23 THR 5 2HG2 THR 5 8.937 14.606 -3.027 28 H GLU 6 H GLU 6 4.709 14.091 -4.097 29 HA GLU 6 HA GLU 6 2.298 14.001 -2.456 30 HB2 GLU 6 1HB GLU 6 1.077 14.134 -4.487 31 HB3 GLU 6 2HB GLU 6 2.400 15.301 -4.458 32 HG2 GLU 6 1HG GLU 6 3.739 13.579 -5.842 33 HG3 GLU 6 2HG GLU 6 2.179 12.780 -6.123 34 H VAL 7 H VAL 7 4.482 11.653 -2.923 35 HA VAL 7 HA VAL 7 2.489 9.481 -3.307 36 HB VAL 7 HB VAL 7 5.529 9.366 -3.378 37 HG11 VAL 7 1HG1 VAL 7 3.428 7.323 -4.223 38 HG12 VAL 7 2HG1 VAL 7 5.196 7.127 -4.264 39 HG13 VAL 7 3HG1 VAL 7 4.370 7.239 -2.718 40 HG21 VAL 7 3HG2 VAL 7 3.448 9.614 -5.593 41 HG22 VAL 7 1HG2 VAL 7 4.845 10.666 -5.277 42 HG23 VAL 7 2HG2 VAL 7 5.103 9.039 -5.881 43 H LEU 8 H LEU 8 1.529 9.568 -1.349 44 HA LEU 8 HA LEU 8 2.879 9.714 1.220 45 HB2 LEU 8 1HB LEU 8 0.574 10.458 0.950 46 HB3 LEU 8 2HB LEU 8 0.100 8.880 0.310 47 HG LEU 8 HG LEU 8 0.417 7.810 2.471 48 HD11 LEU 8 1HD1 LEU 8 1.456 10.525 3.294 49 HD12 LEU 8 2HD1 LEU 8 2.261 8.955 3.446 50 HD13 LEU 8 3HD1 LEU 8 0.885 9.326 4.475 51 HD21 LEU 8 3HD2 LEU 8 -1.747 8.845 2.066 52 HD22 LEU 8 1HD2 LEU 8 -1.154 10.409 2.673 53 HD23 LEU 8 2HD2 LEU 8 -1.324 9.024 3.769 54 H CYS 9 H CYS 9 4.016 8.034 2.079 55 HA CYS 9 HA CYS 9 3.619 5.279 1.013 56 HB2 CYS 9 1HB CYS 9 5.962 6.315 1.572 57 HB3 CYS 9 2HB CYS 9 5.469 6.148 3.251 58 HG CYS 9 HG CYS 9 4.772 3.484 2.859 59 H LEU 10 H LEU 10 2.627 3.723 2.216 60 HA LEU 10 HA LEU 10 1.848 4.308 5.021 61 HB2 LEU 10 1HB LEU 10 0.247 2.982 2.805 62 HB3 LEU 10 2HB LEU 10 -0.238 3.129 4.490 63 HG LEU 10 HG LEU 10 0.254 5.507 2.653 64 HD11 LEU 10 1HD1 LEU 10 -2.420 4.331 3.454 65 HD12 LEU 10 2HD1 LEU 10 -1.591 4.060 1.909 66 HD13 LEU 10 3HD1 LEU 10 -2.085 5.703 2.378 67 HD21 LEU 10 3HD2 LEU 10 -1.140 5.308 5.362 68 HD22 LEU 10 1HD2 LEU 10 -0.964 6.770 4.339 69 HD23 LEU 10 2HD2 LEU 10 0.456 6.019 5.065 70 H MET 11 H MET 11 1.492 2.430 6.265 71 HA MET 11 HA MET 11 2.589 -0.140 5.288 72 HB2 MET 11 1HB MET 11 3.408 1.398 7.786 73 HB3 MET 11 2HB MET 11 3.813 -0.287 7.496 74 HG2 MET 11 1HG MET 11 5.386 0.166 5.910 75 HG3 MET 11 2HG MET 11 4.600 1.607 5.315 76 HE1 MET 11 3HE MET 11 4.152 3.520 7.725 77 HE2 MET 11 1HE MET 11 5.657 4.454 7.686 78 HE3 MET 11 2HE MET 11 4.843 4.007 6.166 79 H ASN 12 H ASN 12 1.988 -1.839 6.806 80 HA ASN 12 HA ASN 12 0.582 -3.100 8.008 81 HB2 ASN 12 1HB ASN 12 -0.207 -0.601 9.413 82 HB3 ASN 12 2HB ASN 12 -0.358 -2.246 10.046 83 HD21 ASN 12 1HD2 ASN 12 0.590 -0.437 11.688 84 HD22 ASN 12 2HD2 ASN 12 2.362 -0.449 11.825 85 H MET 13 H MET 13 -0.486 -1.696 5.573 86 HA MET 13 HA MET 13 -3.416 -1.885 6.046 87 HB2 MET 13 1HB MET 13 -1.620 -1.392 3.717 88 HB3 MET 13 2HB MET 13 -3.138 -2.255 3.398 89 HG2 MET 13 1HG MET 13 -4.138 -0.344 3.189 90 HG3 MET 13 2HG MET 13 -3.892 -0.107 4.902 91 HE1 MET 13 3HE MET 13 -2.185 2.996 5.158 92 HE2 MET 13 1HE MET 13 -3.486 1.909 5.583 93 HE3 MET 13 2HE MET 13 -1.803 1.415 5.892 94 H VAL 14 H VAL 14 -1.132 -3.657 3.961 95 HA VAL 14 HA VAL 14 -2.813 -5.969 4.196 96 HB VAL 14 HB VAL 14 -1.456 -6.694 2.199 97 HG11 VAL 14 1HG1 VAL 14 -2.033 -4.541 0.788 98 HG12 VAL 14 2HG1 VAL 14 -3.300 -5.519 1.532 99 HG13 VAL 14 3HG1 VAL 14 -2.813 -3.997 2.254 100 HG21 VAL 14 3HG2 VAL 14 0.702 -5.835 2.743 101 HG22 VAL 14 1HG2 VAL 14 0.179 -5.077 1.239 102 HG23 VAL 14 2HG2 VAL 14 0.128 -4.156 2.751 103 H LEU 15 H LEU 15 -1.649 -8.178 4.028 104 HA LEU 15 HA LEU 15 0.766 -8.336 5.766 105 HB2 LEU 15 1HB LEU 15 -1.741 -10.049 5.845 106 HB3 LEU 15 2HB LEU 15 -0.223 -10.604 6.514 107 HG LEU 15 HG LEU 15 -1.752 -8.147 7.459 108 HD11 LEU 15 1HD1 LEU 15 -2.247 -9.506 9.445 109 HD12 LEU 15 2HD1 LEU 15 -1.353 -10.887 8.761 110 HD13 LEU 15 3HD1 LEU 15 -2.842 -10.322 8.000 111 HD21 LEU 15 3HD2 LEU 15 0.670 -7.875 7.851 112 HD22 LEU 15 1HD2 LEU 15 0.749 -9.502 8.575 113 HD23 LEU 15 2HD2 LEU 15 -0.164 -8.187 9.363 114 HA PRO 16 HA PRO 16 2.279 -10.567 2.338 115 HB2 PRO 16 1HB PRO 16 4.034 -12.425 3.396 116 HB3 PRO 16 2HB PRO 16 4.351 -10.666 3.415 117 HG2 PRO 16 1HG PRO 16 3.144 -12.368 5.626 118 HG3 PRO 16 2HG PRO 16 4.492 -11.191 5.753 119 HD2 PRO 16 1HD PRO 16 1.950 -10.528 6.403 120 HD3 PRO 16 2HD PRO 16 3.009 -9.349 5.592 121 H GLU 17 H GLU 17 0.052 -11.965 4.377 122 HA GLU 17 HA GLU 17 -0.227 -14.437 2.762 123 HB2 GLU 17 1HB GLU 17 -1.106 -15.479 4.743 124 HB3 GLU 17 2HB GLU 17 0.558 -14.940 4.957 125 HG2 GLU 17 1HG GLU 17 -0.361 -12.869 6.164 126 HG3 GLU 17 2HG GLU 17 -1.936 -13.667 6.102 127 H GLU 18 H GLU 18 -1.533 -11.481 2.710 128 HA GLU 18 HA GLU 18 -4.349 -12.459 2.614 129 HB2 GLU 18 1HB GLU 18 -3.244 -10.046 4.054 130 HB3 GLU 18 2HB GLU 18 -4.972 -10.400 3.867 131 HG2 GLU 18 1HG GLU 18 -2.941 -11.973 5.465 132 HG3 GLU 18 2HG GLU 18 -4.164 -10.909 6.104 133 H LEU 19 H LEU 19 -2.227 -11.623 0.611 134 HA LEU 19 HA LEU 19 -3.790 -9.449 -0.813 135 HB2 LEU 19 1HB LEU 19 -0.917 -10.358 -1.181 136 HB3 LEU 19 2HB LEU 19 -1.704 -9.229 -2.224 137 HG LEU 19 HG LEU 19 -1.382 -8.723 0.766 138 HD11 LEU 19 1HD1 LEU 19 0.392 -7.187 0.199 139 HD12 LEU 19 2HD1 LEU 19 0.212 -7.543 -1.519 140 HD13 LEU 19 3HD1 LEU 19 0.815 -8.787 -0.388 141 HD21 LEU 19 3HD2 LEU 19 -1.855 -6.324 -0.350 142 HD22 LEU 19 1HD2 LEU 19 -3.248 -7.403 -0.102 143 HD23 LEU 19 2HD2 LEU 19 -2.513 -7.228 -1.689 144 H LEU 20 H LEU 20 -3.915 -12.680 -0.775 145 HA LEU 20 HA LEU 20 -3.181 -13.234 -3.533 146 HB2 LEU 20 1HB LEU 20 -4.554 -15.067 -1.529 147 HB3 LEU 20 2HB LEU 20 -3.727 -15.504 -3.013 148 HG LEU 20 HG LEU 20 -2.252 -16.093 -1.377 149 HD11 LEU 20 1HD1 LEU 20 -0.258 -14.767 -1.636 150 HD12 LEU 20 2HD1 LEU 20 -1.202 -13.356 -2.147 151 HD13 LEU 20 3HD1 LEU 20 -1.150 -14.803 -3.174 152 HD21 LEU 20 3HD2 LEU 20 -1.532 -14.927 0.561 153 HD22 LEU 20 1HD2 LEU 20 -3.296 -14.895 0.557 154 HD23 LEU 20 2HD2 LEU 20 -2.368 -13.455 0.111 155 H ASP 21 H ASP 21 -6.175 -12.669 -1.779 156 HA ASP 21 HA ASP 21 -8.014 -13.474 -3.814 157 HB2 ASP 21 1HB ASP 21 -8.144 -11.736 -1.334 158 HB3 ASP 21 2HB ASP 21 -9.488 -11.772 -2.480 159 H ASP 22 H ASP 22 -7.875 -12.585 -5.818 160 HA ASP 22 HA ASP 22 -6.960 -9.915 -6.410 161 HB2 ASP 22 1HB ASP 22 -8.234 -12.150 -7.966 162 HB3 ASP 22 2HB ASP 22 -8.387 -10.522 -8.609 163 H GLU 23 H GLU 23 -10.170 -11.318 -5.773 164 HA GLU 23 HA GLU 23 -11.712 -9.034 -6.560 165 HB2 GLU 23 1HB GLU 23 -12.305 -11.326 -4.640 166 HB3 GLU 23 2HB GLU 23 -13.478 -10.062 -5.044 167 HG2 GLU 23 1HG GLU 23 -13.309 -10.653 -7.438 168 HG3 GLU 23 2HG GLU 23 -12.153 -11.931 -7.036 169 H GLU 24 H GLU 24 -11.058 -10.170 -3.169 170 HA GLU 24 HA GLU 24 -12.041 -7.926 -1.991 171 HB2 GLU 24 1HB GLU 24 -11.348 -10.223 -1.037 172 HB3 GLU 24 2HB GLU 24 -9.727 -9.537 -0.834 173 HG2 GLU 24 1HG GLU 24 -10.662 -7.764 0.609 174 HG3 GLU 24 2HG GLU 24 -12.303 -8.334 0.240 175 H TYR 25 H TYR 25 -8.735 -8.383 -3.203 176 HA TYR 25 HA TYR 25 -7.444 -6.082 -2.229 177 HB2 TYR 25 1HB TYR 25 -6.319 -7.853 -3.322 178 HB3 TYR 25 2HB TYR 25 -7.302 -7.711 -4.769 179 HD1 TYR 25 1HD TYR 25 -7.042 -5.767 -6.302 180 HD2 TYR 25 2HD TYR 25 -4.276 -6.658 -3.126 181 HE1 TYR 25 1HE TYR 25 -5.299 -4.491 -7.497 182 HE2 TYR 25 2HE TYR 25 -2.485 -5.392 -4.332 183 HH TYR 25 HH TYR 25 -3.124 -3.830 -7.487 184 H GLU 26 H GLU 26 -9.795 -6.433 -4.987 185 HA GLU 26 HA GLU 26 -9.309 -3.722 -5.987 186 HB2 GLU 26 1HB GLU 26 -10.612 -6.237 -6.872 187 HB3 GLU 26 2HB GLU 26 -11.665 -4.859 -7.108 188 HG2 GLU 26 1HG GLU 26 -9.964 -3.717 -8.443 189 HG3 GLU 26 2HG GLU 26 -8.778 -4.957 -8.049 190 H GLU 27 H GLU 27 -11.672 -5.387 -4.004 191 HA GLU 27 HA GLU 27 -13.613 -3.313 -3.760 192 HB2 GLU 27 1HB GLU 27 -12.744 -5.262 -1.603 193 HB3 GLU 27 2HB GLU 27 -14.243 -4.347 -1.645 194 HG2 GLU 27 1HG GLU 27 -13.413 -6.479 -3.662 195 HG3 GLU 27 2HG GLU 27 -14.451 -6.718 -2.274 196 H ILE 28 H ILE 28 -10.775 -4.115 -1.762 197 HA ILE 28 HA ILE 28 -11.039 -2.060 0.149 198 HB ILE 28 HB ILE 28 -8.624 -3.677 -0.807 199 HG12 ILE 28 1HG1 ILE 28 -10.165 -3.863 1.826 200 HG13 ILE 28 2HG1 ILE 28 -10.669 -4.761 0.404 201 HG21 ILE 28 1HG2 ILE 28 -7.609 -1.750 0.145 202 HG22 ILE 28 2HG2 ILE 28 -8.853 -1.595 1.398 203 HG23 ILE 28 3HG2 ILE 28 -7.647 -2.895 1.488 204 HD11 ILE 28 3HD1 ILE 28 -8.426 -5.874 0.327 205 HD12 ILE 28 1HD1 ILE 28 -8.012 -5.061 1.854 206 HD13 ILE 28 2HD1 ILE 28 -9.349 -6.206 1.806 207 H VAL 29 H VAL 29 -9.304 -2.049 -2.943 208 HA VAL 29 HA VAL 29 -7.865 0.388 -2.596 209 HB VAL 29 HB VAL 29 -8.930 -1.184 -4.941 210 HG11 VAL 29 1HG1 VAL 29 -8.553 1.035 -5.857 211 HG12 VAL 29 2HG1 VAL 29 -6.952 1.129 -5.080 212 HG13 VAL 29 3HG1 VAL 29 -7.234 -0.023 -6.398 213 HG21 VAL 29 3HG2 VAL 29 -6.761 -2.166 -5.073 214 HG22 VAL 29 1HG2 VAL 29 -5.992 -0.828 -4.152 215 HG23 VAL 29 2HG2 VAL 29 -6.977 -2.022 -3.329 216 H GLU 30 H GLU 30 -11.222 -0.248 -3.652 217 HA GLU 30 HA GLU 30 -11.647 2.502 -4.496 218 HB2 GLU 30 1HB GLU 30 -13.591 0.255 -3.880 219 HB3 GLU 30 2HB GLU 30 -14.065 1.830 -4.536 220 HG2 GLU 30 1HG GLU 30 -11.945 0.288 -6.045 221 HG3 GLU 30 2HG GLU 30 -13.603 -0.302 -6.046 222 H ASP 31 H ASP 31 -12.477 0.607 -1.637 223 HA ASP 31 HA ASP 31 -14.013 2.694 -0.316 224 HB2 ASP 31 1HB ASP 31 -13.835 0.165 0.328 225 HB3 ASP 31 2HB ASP 31 -12.366 0.596 1.172 226 H VAL 32 H VAL 32 -10.602 1.974 -0.434 227 HA VAL 32 HA VAL 32 -9.860 3.822 1.725 228 HB VAL 32 HB VAL 32 -8.289 2.181 -0.323 229 HG11 VAL 32 1HG1 VAL 32 -6.230 2.829 0.990 230 HG12 VAL 32 2HG1 VAL 32 -6.905 4.124 -0.002 231 HG13 VAL 32 3HG1 VAL 32 -7.216 4.116 1.742 232 HG21 VAL 32 3HG2 VAL 32 -9.361 1.017 1.623 233 HG22 VAL 32 1HG2 VAL 32 -7.593 0.912 1.654 234 HG23 VAL 32 2HG2 VAL 32 -8.445 2.057 2.727 235 H ARG 33 H ARG 33 -10.072 3.905 -1.805 236 HA ARG 33 HA ARG 33 -8.698 6.428 -2.128 237 HB2 ARG 33 1HB ARG 33 -9.075 4.935 -3.971 238 HB3 ARG 33 2HB ARG 33 -10.810 5.078 -3.856 239 HG2 ARG 33 1HG ARG 33 -10.866 7.176 -4.820 240 HG3 ARG 33 2HG ARG 33 -9.231 7.599 -4.304 241 HD2 ARG 33 1HD ARG 33 -8.185 6.342 -5.980 242 HD3 ARG 33 2HD ARG 33 -9.595 5.316 -6.249 243 HE ARG 33 HE ARG 33 -9.049 7.962 -7.394 244 HH11 ARG 33 1HH1 ARG 33 -11.374 5.277 -7.033 245 HH12 ARG 33 2HH1 ARG 33 -12.237 5.630 -8.452 246 HH21 ARG 33 1HH2 ARG 33 -10.207 8.444 -9.304 247 HH22 ARG 33 2HH2 ARG 33 -11.604 7.480 -9.761 248 H ASP 34 H ASP 34 -12.162 5.579 -1.537 249 HA ASP 34 HA ASP 34 -13.001 8.307 -1.532 250 HB2 ASP 34 1HB ASP 34 -14.425 6.083 -1.456 251 HB3 ASP 34 2HB ASP 34 -14.347 6.285 0.254 252 H GLU 35 H GLU 35 -11.902 6.137 1.124 253 HA GLU 35 HA GLU 35 -12.669 7.994 3.054 254 HB2 GLU 35 1HB GLU 35 -11.569 6.787 4.726 255 HB3 GLU 35 2HB GLU 35 -12.166 5.572 3.581 256 HG2 GLU 35 1HG GLU 35 -9.633 5.554 2.829 257 HG3 GLU 35 2HG GLU 35 -9.415 6.571 4.223 258 H CYS 36 H CYS 36 -9.736 7.626 1.270 259 HA CYS 36 HA CYS 36 -8.174 9.538 2.786 260 HB2 CYS 36 1HB CYS 36 -7.327 7.483 1.461 261 HB3 CYS 36 2HB CYS 36 -7.670 8.459 0.008 262 HG CYS 36 HG CYS 36 -6.035 9.320 2.745 263 H SER 37 H SER 37 -10.213 9.575 -0.153 264 HA SER 37 HA SER 37 -9.649 12.123 -1.150 265 HB2 SER 37 1HB SER 37 -10.950 10.395 -2.295 266 HB3 SER 37 2HB SER 37 -12.237 10.542 -1.099 267 HG SER 37 HG SER 37 -12.867 11.611 -2.810 268 H LYS 38 H LYS 38 -11.128 11.339 1.910 269 HA LYS 38 HA LYS 38 -12.620 13.756 2.321 270 HB2 LYS 38 1HB LYS 38 -11.079 11.985 4.274 271 HB3 LYS 38 2HB LYS 38 -12.190 13.287 4.739 272 HG2 LYS 38 1HG LYS 38 -14.030 12.196 3.524 273 HG3 LYS 38 2HG LYS 38 -12.981 10.856 3.054 274 HD2 LYS 38 1HD LYS 38 -13.034 9.868 5.059 275 HD3 LYS 38 2HD LYS 38 -12.900 11.372 5.966 276 HE2 LYS 38 1HE LYS 38 -15.451 10.284 4.709 277 HE3 LYS 38 2HE LYS 38 -15.029 10.259 6.427 278 HZ1 LYS 38 3HZ LYS 38 -15.687 12.582 4.764 279 HZ2 LYS 38 1HZ LYS 38 -14.843 12.774 6.178 280 HZ3 LYS 38 2HZ LYS 38 -16.354 12.101 6.179 281 H TYR 39 H TYR 39 -9.177 13.283 2.040 282 HA TYR 39 HA TYR 39 -8.615 15.876 3.401 283 HB2 TYR 39 1HB TYR 39 -6.907 13.429 2.850 284 HB3 TYR 39 2HB TYR 39 -6.293 14.927 3.529 285 HD1 TYR 39 1HD TYR 39 -8.479 11.985 4.187 286 HD2 TYR 39 2HD TYR 39 -6.664 15.541 5.842 287 HE1 TYR 39 1HE TYR 39 -9.109 11.250 6.449 288 HE2 TYR 39 2HE TYR 39 -7.264 14.782 8.119 289 HH TYR 39 HH TYR 39 -9.507 12.839 8.865 290 H GLY 40 H GLY 40 -8.968 14.648 0.214 291 HA2 GLY 40 1HA GLY 40 -7.787 16.697 -1.202 292 HA3 GLY 40 2HA GLY 40 -6.500 15.504 -0.896 293 H LEU 41 H LEU 41 -6.412 14.920 -3.171 294 HA LEU 41 HA LEU 41 -8.613 13.097 -3.924 295 HB2 LEU 41 1HB LEU 41 -8.593 15.310 -5.107 296 HB3 LEU 41 2HB LEU 41 -7.080 14.896 -5.805 297 HG LEU 41 HG LEU 41 -9.073 14.577 -7.272 298 HD11 LEU 41 1HD1 LEU 41 -7.077 13.234 -7.778 299 HD12 LEU 41 2HD1 LEU 41 -8.568 12.460 -8.246 300 HD13 LEU 41 3HD1 LEU 41 -7.723 11.930 -6.779 301 HD21 LEU 41 3HD2 LEU 41 -9.789 12.214 -5.515 302 HD22 LEU 41 1HD2 LEU 41 -10.641 12.834 -6.937 303 HD23 LEU 41 2HD2 LEU 41 -10.606 13.800 -5.461 304 H VAL 42 H VAL 42 -7.830 11.246 -3.756 305 HA VAL 42 HA VAL 42 -4.991 10.527 -4.023 306 HB VAL 42 HB VAL 42 -7.507 9.046 -3.357 307 HG11 VAL 42 1HG1 VAL 42 -6.269 7.436 -4.754 308 HG12 VAL 42 2HG1 VAL 42 -4.750 7.843 -3.926 309 HG13 VAL 42 3HG1 VAL 42 -6.048 6.984 -3.061 310 HG21 VAL 42 3HG2 VAL 42 -6.654 10.125 -1.470 311 HG22 VAL 42 1HG2 VAL 42 -6.121 8.435 -1.334 312 HG23 VAL 42 2HG2 VAL 42 -4.973 9.671 -1.857 313 H LYS 43 H LYS 43 -4.138 10.237 -5.840 314 HA LYS 43 HA LYS 43 -5.624 10.385 -8.344 315 HB2 LYS 43 1HB LYS 43 -3.597 11.744 -7.601 316 HB3 LYS 43 2HB LYS 43 -2.640 10.278 -7.741 317 HG2 LYS 43 1HG LYS 43 -3.237 10.150 -10.137 318 HG3 LYS 43 2HG LYS 43 -4.163 11.660 -10.006 319 HD2 LYS 43 1HD LYS 43 -2.286 13.003 -9.617 320 HD3 LYS 43 2HD LYS 43 -1.332 11.688 -8.954 321 HE2 LYS 43 1HE LYS 43 -1.693 12.464 -11.810 322 HE3 LYS 43 2HE LYS 43 -0.233 12.117 -10.881 323 HZ1 LYS 43 3HZ LYS 43 -1.025 9.782 -10.814 324 HZ2 LYS 43 1HZ LYS 43 -0.491 10.286 -12.254 325 HZ3 LYS 43 2HZ LYS 43 -2.124 10.121 -11.960 326 H SER 44 H SER 44 -3.196 8.145 -6.813 327 HA SER 44 HA SER 44 -4.654 5.857 -7.813 328 HB2 SER 44 1HB SER 44 -2.798 4.860 -9.074 329 HB3 SER 44 2HB SER 44 -3.344 6.354 -9.837 330 HG SER 44 HG SER 44 -1.484 7.408 -9.127 331 H ILE 45 H ILE 45 -3.448 3.739 -7.072 332 HA ILE 45 HA ILE 45 -1.915 4.199 -4.604 333 HB ILE 45 HB ILE 45 -4.432 2.505 -4.693 334 HG12 ILE 45 1HG1 ILE 45 -3.876 4.991 -3.046 335 HG13 ILE 45 2HG1 ILE 45 -4.755 4.937 -4.531 336 HG21 ILE 45 1HG2 ILE 45 -3.794 2.225 -2.192 337 HG22 ILE 45 2HG2 ILE 45 -2.666 1.480 -3.322 338 HG23 ILE 45 3HG2 ILE 45 -2.265 3.040 -2.593 339 HD11 ILE 45 3HD1 ILE 45 -6.440 4.838 -2.771 340 HD12 ILE 45 1HD1 ILE 45 -6.317 3.185 -3.399 341 HD13 ILE 45 2HD1 ILE 45 -5.514 3.624 -1.885 342 H GLU 46 H GLU 46 -0.368 3.024 -4.902 343 HA GLU 46 HA GLU 46 -0.287 0.534 -6.592 344 HB2 GLU 46 1HB GLU 46 1.888 2.290 -5.526 345 HB3 GLU 46 2HB GLU 46 2.252 0.596 -5.633 346 HG2 GLU 46 1HG GLU 46 1.239 2.176 -8.021 347 HG3 GLU 46 2HG GLU 46 2.940 1.967 -7.619 348 H ILE 47 H ILE 47 -0.420 -1.462 -5.749 349 HA ILE 47 HA ILE 47 0.335 -1.956 -2.938 350 HB ILE 47 HB ILE 47 -2.157 -3.135 -4.179 351 HG12 ILE 47 1HG1 ILE 47 -1.933 -0.747 -2.345 352 HG13 ILE 47 2HG1 ILE 47 -2.658 -0.836 -3.940 353 HG21 ILE 47 1HG2 ILE 47 -0.970 -4.514 -2.436 354 HG22 ILE 47 2HG2 ILE 47 -1.139 -3.167 -1.291 355 HG23 ILE 47 3HG2 ILE 47 -2.565 -4.010 -1.916 356 HD11 ILE 47 3HD1 ILE 47 -3.735 -2.081 -1.391 357 HD12 ILE 47 1HD1 ILE 47 -4.427 -0.761 -2.347 358 HD13 ILE 47 2HD1 ILE 47 -4.386 -2.414 -3.017 359 HA PRO 48 HA PRO 48 2.417 -4.950 -5.801 360 HB2 PRO 48 1HB PRO 48 4.650 -5.357 -4.248 361 HB3 PRO 48 2HB PRO 48 4.492 -3.997 -5.393 362 HG2 PRO 48 1HG PRO 48 4.078 -4.005 -2.415 363 HG3 PRO 48 2HG PRO 48 4.889 -2.773 -3.419 364 HD2 PRO 48 1HD PRO 48 2.303 -2.556 -2.508 365 HD3 PRO 48 2HD PRO 48 2.848 -1.791 -4.019 366 H ARG 49 H ARG 49 2.668 -7.300 -5.407 367 HA ARG 49 HA ARG 49 1.758 -8.311 -2.795 368 HB2 ARG 49 1HB ARG 49 0.057 -9.783 -3.986 369 HB3 ARG 49 2HB ARG 49 -0.352 -8.092 -3.818 370 HG2 ARG 49 1HG ARG 49 1.003 -8.692 -6.386 371 HG3 ARG 49 2HG ARG 49 -0.475 -9.628 -6.132 372 HD2 ARG 49 1HD ARG 49 -1.863 -7.761 -6.023 373 HD3 ARG 49 2HD ARG 49 -0.551 -6.678 -5.564 374 HE ARG 49 HE ARG 49 -0.304 -6.130 -7.709 375 HH11 ARG 49 1HH1 ARG 49 -1.924 -9.377 -7.792 376 HH12 ARG 49 2HH1 ARG 49 -1.886 -9.452 -9.486 377 HH21 ARG 49 1HH2 ARG 49 -0.381 -6.258 -9.973 378 HH22 ARG 49 2HH2 ARG 49 -1.231 -7.567 -10.699 379 HA PRO 50 HA PRO 50 4.624 -11.600 -3.557 380 HB2 PRO 50 1HB PRO 50 3.439 -13.792 -2.460 381 HB3 PRO 50 2HB PRO 50 4.141 -12.450 -1.494 382 HG2 PRO 50 1HG PRO 50 1.242 -12.846 -2.272 383 HG3 PRO 50 2HG PRO 50 1.931 -12.482 -0.651 384 HD2 PRO 50 1HD PRO 50 0.943 -10.519 -2.205 385 HD3 PRO 50 2HD PRO 50 2.436 -10.248 -1.278 386 H VAL 51 H VAL 51 5.126 -12.690 -5.222 387 HA VAL 51 HA VAL 51 3.073 -13.594 -7.178 388 HB VAL 51 HB VAL 51 6.097 -13.978 -7.336 389 HG11 VAL 51 1HG1 VAL 51 4.825 -15.425 -8.820 390 HG12 VAL 51 2HG1 VAL 51 3.896 -14.055 -9.438 391 HG13 VAL 51 3HG1 VAL 51 5.640 -14.179 -9.762 392 HG21 VAL 51 3HG2 VAL 51 4.393 -11.601 -8.204 393 HG22 VAL 51 1HG2 VAL 51 5.860 -11.608 -7.225 394 HG23 VAL 51 2HG2 VAL 51 5.960 -11.983 -8.944 395 H ASP 52 H ASP 52 2.031 -15.424 -6.433 396 HA ASP 52 HA ASP 52 1.677 -17.492 -5.720 397 HB2 ASP 52 1HB ASP 52 3.052 -17.531 -7.934 398 HB3 ASP 52 2HB ASP 52 4.372 -18.142 -6.949 399 H GLY 53 H GLY 53 3.109 -15.864 -3.922 400 HA2 GLY 53 1HA GLY 53 3.423 -16.067 -1.645 401 HA3 GLY 53 2HA GLY 53 3.821 -17.805 -1.793 402 H VAL 54 H VAL 54 5.651 -15.955 -4.042 403 HA VAL 54 HA VAL 54 8.048 -16.140 -2.524 404 HB VAL 54 HB VAL 54 7.634 -15.989 -5.088 405 HG11 VAL 54 1HG1 VAL 54 6.474 -13.850 -4.893 406 HG12 VAL 54 2HG1 VAL 54 7.995 -13.055 -4.538 407 HG13 VAL 54 3HG1 VAL 54 7.819 -13.857 -6.095 408 HG21 VAL 54 3HG2 VAL 54 9.987 -14.452 -3.929 409 HG22 VAL 54 1HG2 VAL 54 9.844 -16.223 -3.965 410 HG23 VAL 54 2HG2 VAL 54 9.908 -15.298 -5.476 411 H GLU 55 H GLU 55 9.414 -14.449 -1.860 412 HA GLU 55 HA GLU 55 8.211 -12.052 -0.667 413 HB2 GLU 55 1HB GLU 55 10.314 -11.548 0.194 414 HB3 GLU 55 2HB GLU 55 10.211 -13.312 0.316 415 HG2 GLU 55 1HG GLU 55 11.385 -13.230 -2.042 416 HG3 GLU 55 2HG GLU 55 11.826 -11.589 -1.582 417 H VAL 56 H VAL 56 7.870 -10.254 -1.870 418 HA VAL 56 HA VAL 56 9.637 -9.662 -4.181 419 HB VAL 56 HB VAL 56 7.597 -7.882 -4.393 420 HG11 VAL 56 1HG1 VAL 56 8.441 -9.417 -6.185 421 HG12 VAL 56 2HG1 VAL 56 7.572 -10.759 -5.429 422 HG13 VAL 56 3HG1 VAL 56 6.667 -9.402 -6.143 423 HG21 VAL 56 3HG2 VAL 56 6.329 -8.816 -2.499 424 HG22 VAL 56 1HG2 VAL 56 5.477 -8.803 -4.027 425 HG23 VAL 56 2HG2 VAL 56 6.169 -10.325 -3.402 426 HA PRO 57 HA PRO 57 11.111 -5.974 -2.095 427 HB2 PRO 57 1HB PRO 57 11.389 -4.203 -4.150 428 HB3 PRO 57 2HB PRO 57 12.486 -5.612 -3.952 429 HG2 PRO 57 1HG PRO 57 10.049 -5.290 -5.714 430 HG3 PRO 57 2HG PRO 57 11.654 -5.939 -6.179 431 HD2 PRO 57 1HD PRO 57 9.561 -7.565 -5.527 432 HD3 PRO 57 2HD PRO 57 11.221 -8.028 -5.087 433 H GLY 58 H GLY 58 9.982 -4.472 -0.983 434 HA2 GLY 58 1HA GLY 58 8.616 -2.651 -0.673 435 HA3 GLY 58 2HA GLY 58 7.986 -2.801 -2.320 436 H CYS 59 H CYS 59 7.900 -5.759 -0.544 437 HA CYS 59 HA CYS 59 5.020 -5.771 -0.673 438 HB2 CYS 59 1HB CYS 59 6.823 -7.731 -0.861 439 HB3 CYS 59 2HB CYS 59 6.733 -7.729 0.897 440 HG CYS 59 HG CYS 59 4.273 -8.247 1.171 441 H GLY 60 H GLY 60 3.553 -5.481 0.901 442 HA2 GLY 60 1HA GLY 60 2.756 -5.421 3.160 443 HA3 GLY 60 2HA GLY 60 4.347 -4.918 3.702 444 H LYS 61 H LYS 61 4.667 -3.031 1.322 445 HA LYS 61 HA LYS 61 3.466 -0.783 2.798 446 HB2 LYS 61 1HB LYS 61 5.330 -0.623 0.396 447 HB3 LYS 61 2HB LYS 61 4.869 0.663 1.496 448 HG2 LYS 61 1HG LYS 61 6.977 0.187 2.265 449 HG3 LYS 61 2HG LYS 61 6.022 -0.846 3.349 450 HD2 LYS 61 1HD LYS 61 6.451 -2.767 1.795 451 HD3 LYS 61 2HD LYS 61 7.342 -1.687 0.737 452 HE2 LYS 61 1HE LYS 61 9.108 -1.455 2.297 453 HE3 LYS 61 2HE LYS 61 8.129 -2.120 3.612 454 HZ1 LYS 61 3HZ LYS 61 8.157 -4.260 2.512 455 HZ2 LYS 61 1HZ LYS 61 9.706 -3.738 2.791 456 HZ3 LYS 61 2HZ LYS 61 9.094 -3.672 1.294 457 H ILE 62 H ILE 62 2.285 0.805 1.719 458 HA ILE 62 HA ILE 62 1.135 0.186 -0.927 459 HB ILE 62 HB ILE 62 -0.285 1.049 1.625 460 HG12 ILE 62 1HG1 ILE 62 -1.987 -0.627 0.834 461 HG13 ILE 62 2HG1 ILE 62 -0.886 -1.078 -0.462 462 HG21 ILE 62 1HG2 ILE 62 -0.939 2.637 -0.110 463 HG22 ILE 62 2HG2 ILE 62 -1.307 1.306 -1.225 464 HG23 ILE 62 3HG2 ILE 62 -2.275 1.560 0.248 465 HD11 ILE 62 3HD1 ILE 62 -1.102 -2.455 1.762 466 HD12 ILE 62 1HD1 ILE 62 0.426 -2.342 0.923 467 HD13 ILE 62 2HD1 ILE 62 0.126 -1.309 2.346 468 H PHE 63 H PHE 63 1.027 2.074 -2.171 469 HA PHE 63 HA PHE 63 2.305 4.528 -1.042 470 HB2 PHE 63 1HB PHE 63 2.749 3.487 -3.843 471 HB3 PHE 63 2HB PHE 63 3.652 4.726 -2.996 472 HD1 PHE 63 2HD PHE 63 2.896 1.070 -3.187 473 HD2 PHE 63 1HD PHE 63 5.691 4.064 -1.795 474 HE1 PHE 63 2HE PHE 63 4.514 -0.690 -2.642 475 HE2 PHE 63 1HE PHE 63 7.363 2.278 -1.374 476 HZ PHE 63 HZ PHE 63 6.813 -0.107 -1.854 477 H VAL 64 H VAL 64 0.887 6.231 -1.302 478 HA VAL 64 HA VAL 64 -1.428 5.894 -3.159 479 HB VAL 64 HB VAL 64 -1.177 7.029 -0.395 480 HG11 VAL 64 1HG1 VAL 64 -3.611 7.410 -0.348 481 HG12 VAL 64 2HG1 VAL 64 -2.830 8.413 -1.596 482 HG13 VAL 64 3HG1 VAL 64 -3.709 6.945 -2.051 483 HG21 VAL 64 3HG2 VAL 64 -2.824 5.346 0.288 484 HG22 VAL 64 1HG2 VAL 64 -2.691 4.622 -1.293 485 HG23 VAL 64 2HG2 VAL 64 -1.260 4.712 -0.247 486 H GLU 65 H GLU 65 -1.106 7.197 -4.811 487 HA GLU 65 HA GLU 65 0.618 9.573 -4.725 488 HB2 GLU 65 1HB GLU 65 0.467 7.766 -6.539 489 HB3 GLU 65 2HB GLU 65 -1.135 8.387 -6.906 490 HG2 GLU 65 1HG GLU 65 0.136 10.655 -7.305 491 HG3 GLU 65 2HG GLU 65 1.594 9.680 -7.281 492 H PHE 66 H PHE 66 -0.236 11.670 -4.856 493 HA PHE 66 HA PHE 66 -3.218 12.005 -4.785 494 HB2 PHE 66 1HB PHE 66 -1.067 13.412 -3.208 495 HB3 PHE 66 2HB PHE 66 -2.665 14.055 -3.442 496 HD1 PHE 66 1HD PHE 66 -0.928 11.129 -1.986 497 HD2 PHE 66 2HD PHE 66 -4.566 13.466 -2.165 498 HE1 PHE 66 1HE PHE 66 -1.689 10.142 0.147 499 HE2 PHE 66 2HE PHE 66 -5.265 12.526 0.020 500 HZ PHE 66 HZ PHE 66 -3.768 10.919 1.216 501 H THR 67 H THR 67 -3.756 14.401 -5.184 502 HA THR 67 HA THR 67 -2.758 15.059 -7.828 503 HB THR 67 HB THR 67 -4.214 17.081 -7.618 504 HG1 THR 67 1HG THR 67 -4.609 16.137 -5.005 505 HG21 THR 67 3HG2 THR 67 -5.400 14.350 -7.156 506 HG22 THR 67 1HG2 THR 67 -4.999 15.089 -8.710 507 HG23 THR 67 2HG2 THR 67 -6.327 15.740 -7.729 508 H SER 68 H SER 68 -1.913 16.236 -4.503 509 HA SER 68 HA SER 68 0.352 17.620 -5.813 510 HB2 SER 68 1HB SER 68 -1.762 18.894 -4.027 511 HB3 SER 68 2HB SER 68 -0.212 19.664 -4.440 512 HG SER 68 HG SER 68 -1.347 18.781 -6.672 513 H VAL 69 H VAL 69 2.041 18.150 -4.432 514 HA VAL 69 HA VAL 69 2.564 16.557 -2.174 515 HB VAL 69 HB VAL 69 3.799 19.243 -2.887 516 HG11 VAL 69 1HG1 VAL 69 5.877 18.183 -1.890 517 HG12 VAL 69 2HG1 VAL 69 4.617 18.522 -0.715 518 HG13 VAL 69 3HG1 VAL 69 4.845 16.863 -1.290 519 HG21 VAL 69 3HG2 VAL 69 5.471 17.848 -4.150 520 HG22 VAL 69 1HG2 VAL 69 4.404 16.450 -3.913 521 HG23 VAL 69 2HG2 VAL 69 3.871 17.835 -4.878 522 H PHE 70 H PHE 70 0.398 19.180 -2.360 523 HA PHE 70 HA PHE 70 0.675 19.903 0.509 524 HB2 PHE 70 1HB PHE 70 -0.485 21.213 -1.918 525 HB3 PHE 70 2HB PHE 70 -1.329 21.479 -0.416 526 HD1 PHE 70 2HD PHE 70 2.103 21.766 -1.937 527 HD2 PHE 70 1HD PHE 70 -0.577 23.014 1.208 528 HE1 PHE 70 2HE PHE 70 3.677 23.571 -1.301 529 HE2 PHE 70 1HE PHE 70 1.016 24.800 1.851 530 HZ PHE 70 HZ PHE 70 3.126 25.104 0.585 531 H ASP 71 H ASP 71 -1.398 17.825 -1.542 532 HA ASP 71 HA ASP 71 -3.483 17.989 0.556 533 HB2 ASP 71 1HB ASP 71 -5.042 17.112 -0.860 534 HB3 ASP 71 2HB ASP 71 -4.178 18.321 -1.788 535 H CYS 72 H CYS 72 -1.049 15.841 -0.824 536 HA CYS 72 HA CYS 72 -1.754 13.531 0.696 537 HB2 CYS 72 1HB CYS 72 0.590 12.897 0.350 538 HB3 CYS 72 2HB CYS 72 -0.073 13.538 -1.153 539 HG CYS 72 HG CYS 72 2.572 14.167 -0.357 540 H GLN 73 H GLN 73 0.006 16.460 1.423 541 HA GLN 73 HA GLN 73 1.190 15.784 3.858 542 HB2 GLN 73 1HB GLN 73 0.979 18.073 2.156 543 HB3 GLN 73 2HB GLN 73 0.476 18.640 3.737 544 HG2 GLN 73 1HG GLN 73 2.518 17.752 4.750 545 HG3 GLN 73 2HG GLN 73 3.016 17.073 3.183 546 HE21 GLN 73 1HE2 GLN 73 3.213 18.720 1.344 547 HE22 GLN 73 2HE2 GLN 73 4.010 20.227 1.755 548 H LYS 74 H LYS 74 -2.160 16.664 3.262 549 HA LYS 74 HA LYS 74 -2.655 17.362 6.064 550 HB2 LYS 74 1HB LYS 74 -4.757 16.999 3.885 551 HB3 LYS 74 2HB LYS 74 -4.791 18.008 5.343 552 HG2 LYS 74 1HG LYS 74 -2.683 19.190 4.159 553 HG3 LYS 74 2HG LYS 74 -3.394 18.427 2.715 554 HD2 LYS 74 1HD LYS 74 -5.565 19.696 3.356 555 HD3 LYS 74 2HD LYS 74 -4.576 20.548 4.562 556 HE2 LYS 74 1HE LYS 74 -2.945 21.103 2.665 557 HE3 LYS 74 2HE LYS 74 -4.131 20.448 1.543 558 HZ1 LYS 74 3HZ LYS 74 -5.682 22.170 2.288 559 HZ2 LYS 74 1HZ LYS 74 -4.300 22.838 1.706 560 HZ3 LYS 74 2HZ LYS 74 -4.559 22.788 3.320 561 H ALA 75 H ALA 75 -3.459 14.811 3.698 562 HA ALA 75 HA ALA 75 -4.883 13.059 5.400 563 HB1 ALA 75 1HB ALA 75 -4.713 12.814 2.910 564 HB2 ALA 75 2HB ALA 75 -3.005 12.393 3.077 565 HB3 ALA 75 3HB ALA 75 -4.247 11.326 3.757 566 H MET 76 H MET 76 -1.329 13.156 4.660 567 HA MET 76 HA MET 76 -0.748 10.849 6.008 568 HB2 MET 76 1HB MET 76 1.476 11.322 5.749 569 HB3 MET 76 2HB MET 76 0.695 12.262 4.493 570 HG2 MET 76 1HG MET 76 2.359 13.673 5.260 571 HG3 MET 76 2HG MET 76 0.923 14.276 6.068 572 HE1 MET 76 3HE MET 76 4.396 11.929 8.143 573 HE2 MET 76 1HE MET 76 3.377 11.142 6.922 574 HE3 MET 76 2HE MET 76 4.446 12.488 6.455 575 H GLN 77 H GLN 77 -0.907 14.086 7.454 576 HA GLN 77 HA GLN 77 -0.108 13.107 10.073 577 HB2 GLN 77 1HB GLN 77 -1.567 15.641 9.077 578 HB3 GLN 77 2HB GLN 77 -1.190 15.400 10.777 579 HG2 GLN 77 1HG GLN 77 0.883 15.546 8.549 580 HG3 GLN 77 2HG GLN 77 0.390 16.870 9.592 581 HE21 GLN 77 1HE2 GLN 77 2.935 14.940 9.259 582 HE22 GLN 77 2HE2 GLN 77 3.372 14.708 10.937 583 H GLY 78 H GLY 78 -3.282 13.793 8.499 584 HA2 GLY 78 1HA GLY 78 -4.858 13.575 10.859 585 HA3 GLY 78 2HA GLY 78 -5.417 13.400 9.192 586 H LEU 79 H LEU 79 -3.414 11.191 8.808 587 HA LEU 79 HA LEU 79 -5.055 8.995 9.929 588 HB2 LEU 79 1HB LEU 79 -3.930 9.450 7.141 589 HB3 LEU 79 2HB LEU 79 -4.840 8.052 7.654 590 HG LEU 79 HG LEU 79 -5.991 10.882 7.593 591 HD11 LEU 79 1HD1 LEU 79 -5.815 10.283 5.341 592 HD12 LEU 79 2HD1 LEU 79 -7.414 9.607 5.736 593 HD13 LEU 79 3HD1 LEU 79 -5.992 8.564 5.701 594 HD21 LEU 79 3HD2 LEU 79 -7.112 9.563 9.304 595 HD22 LEU 79 1HD2 LEU 79 -7.139 8.155 8.208 596 HD23 LEU 79 2HD2 LEU 79 -8.149 9.566 7.875 597 H THR 80 H THR 80 -2.148 10.009 10.673 598 HA THR 80 HA THR 80 -0.424 7.967 9.818 599 HB THR 80 HB THR 80 0.212 10.220 10.576 600 HG1 THR 80 1HG THR 80 2.122 9.648 11.354 601 HG21 THR 80 3HG2 THR 80 0.139 9.120 13.354 602 HG22 THR 80 1HG2 THR 80 -1.270 9.975 12.664 603 HG23 THR 80 2HG2 THR 80 0.292 10.818 12.795 604 H GLY 81 H GLY 81 -2.824 6.933 11.050 605 HA2 GLY 81 1HA GLY 81 -2.038 4.874 12.977 606 HA3 GLY 81 2HA GLY 81 -2.756 6.251 13.778 607 H ARG 82 H ARG 82 -4.291 5.937 10.725 608 HA ARG 82 HA ARG 82 -6.718 4.911 11.965 609 HB2 ARG 82 1HB ARG 82 -6.095 6.267 9.467 610 HB3 ARG 82 2HB ARG 82 -7.120 4.894 9.194 611 HG2 ARG 82 1HG ARG 82 -8.436 5.737 11.353 612 HG3 ARG 82 2HG ARG 82 -7.664 7.288 10.986 613 HD2 ARG 82 1HD ARG 82 -8.967 7.521 9.050 614 HD3 ARG 82 2HD ARG 82 -9.025 5.775 8.811 615 HE ARG 82 HE ARG 82 -11.017 5.770 9.700 616 HH11 ARG 82 1HH1 ARG 82 -9.430 8.614 11.075 617 HH12 ARG 82 2HH1 ARG 82 -10.737 9.029 12.136 618 HH21 ARG 82 1HH2 ARG 82 -12.754 6.277 11.230 619 HH22 ARG 82 2HH2 ARG 82 -12.730 7.800 12.026 620 H LYS 83 H LYS 83 -7.849 3.224 10.040 621 HA LYS 83 HA LYS 83 -6.204 0.801 10.465 622 HB2 LYS 83 1HB LYS 83 -9.109 0.968 11.359 623 HB3 LYS 83 2HB LYS 83 -8.002 -0.405 11.502 624 HG2 LYS 83 1HG LYS 83 -6.560 1.125 13.009 625 HG3 LYS 83 2HG LYS 83 -7.931 2.247 12.984 626 HD2 LYS 83 1HD LYS 83 -9.363 0.208 13.737 627 HD3 LYS 83 2HD LYS 83 -7.821 -0.586 14.069 628 HE2 LYS 83 1HE LYS 83 -7.767 0.454 16.074 629 HE3 LYS 83 2HE LYS 83 -7.535 1.976 15.202 630 HZ1 LYS 83 3HZ LYS 83 -10.103 0.816 16.049 631 HZ2 LYS 83 1HZ LYS 83 -10.007 2.098 15.065 632 HZ3 LYS 83 2HZ LYS 83 -9.417 2.233 16.588 633 H PHE 84 H PHE 84 -5.941 0.900 8.184 634 HA PHE 84 HA PHE 84 -8.222 1.039 6.379 635 HB2 PHE 84 1HB PHE 84 -5.271 0.637 6.143 636 HB3 PHE 84 2HB PHE 84 -6.240 0.295 4.724 637 HD1 PHE 84 2HD PHE 84 -6.967 3.134 7.058 638 HD2 PHE 84 1HD PHE 84 -5.273 1.942 3.267 639 HE1 PHE 84 2HE PHE 84 -6.786 5.478 6.393 640 HE2 PHE 84 1HE PHE 84 -5.022 4.386 2.658 641 HZ PHE 84 HZ PHE 84 -5.687 6.077 4.262 642 H ALA 85 H ALA 85 -7.997 -1.267 8.287 643 HA ALA 85 HA ALA 85 -9.383 -3.174 6.892 644 HB1 ALA 85 1HB ALA 85 -6.480 -4.050 7.352 645 HB2 ALA 85 2HB ALA 85 -7.840 -5.167 7.058 646 HB3 ALA 85 3HB ALA 85 -7.366 -4.005 5.815 647 H ASN 86 H ASN 86 -6.959 -4.174 9.282 648 HA ASN 86 HA ASN 86 -8.774 -3.424 11.529 649 HB2 ASN 86 1HB ASN 86 -8.422 -6.032 10.485 650 HB3 ASN 86 2HB ASN 86 -7.432 -5.990 11.940 651 HD21 ASN 86 1HD2 ASN 86 -10.422 -6.735 10.850 652 HD22 ASN 86 2HD2 ASN 86 -11.397 -6.437 12.272 653 H ARG 87 H ARG 87 -5.625 -3.012 10.345 654 HA ARG 87 HA ARG 87 -4.398 -3.425 13.029 655 HB2 ARG 87 1HB ARG 87 -2.945 -2.881 10.429 656 HB3 ARG 87 2HB ARG 87 -2.253 -3.403 11.964 657 HG2 ARG 87 1HG ARG 87 -4.180 -5.392 11.355 658 HG3 ARG 87 2HG ARG 87 -3.523 -4.922 9.816 659 HD2 ARG 87 1HD ARG 87 -2.393 -6.912 10.790 660 HD3 ARG 87 2HD ARG 87 -1.294 -5.574 10.460 661 HE ARG 87 HE ARG 87 -0.592 -5.788 12.519 662 HH11 ARG 87 1HH1 ARG 87 -4.027 -6.746 12.769 663 HH12 ARG 87 2HH1 ARG 87 -4.152 -6.470 14.471 664 HH21 ARG 87 1HH2 ARG 87 -0.670 -5.990 14.827 665 HH22 ARG 87 2HH2 ARG 87 -2.186 -5.994 15.662 666 H VAL 88 H VAL 88 -2.498 -1.658 13.169 667 HA VAL 88 HA VAL 88 -3.770 1.021 12.966 668 HB VAL 88 HB VAL 88 -2.652 0.398 15.090 669 HG11 VAL 88 1HG1 VAL 88 -0.875 -1.046 14.210 670 HG12 VAL 88 2HG1 VAL 88 -0.050 0.405 13.594 671 HG13 VAL 88 3HG1 VAL 88 -0.275 0.200 15.320 672 HG21 VAL 88 3HG2 VAL 88 -1.456 2.443 15.459 673 HG22 VAL 88 1HG2 VAL 88 -1.109 2.620 13.744 674 HG23 VAL 88 2HG2 VAL 88 -2.773 2.793 14.335 675 H VAL 89 H VAL 89 -3.094 2.403 11.343 676 HA VAL 89 HA VAL 89 -1.005 1.487 9.471 677 HB VAL 89 HB VAL 89 -3.055 3.732 9.508 678 HG11 VAL 89 1HG1 VAL 89 -0.982 3.106 7.375 679 HG12 VAL 89 2HG1 VAL 89 -2.469 4.034 7.083 680 HG13 VAL 89 3HG1 VAL 89 -1.289 4.654 8.218 681 HG21 VAL 89 3HG2 VAL 89 -3.965 1.427 9.145 682 HG22 VAL 89 1HG2 VAL 89 -4.098 2.402 7.684 683 HG23 VAL 89 2HG2 VAL 89 -2.815 1.165 7.835 684 H VAL 90 H VAL 90 0.664 3.182 8.799 685 HA VAL 90 HA VAL 90 1.282 5.278 10.771 686 HB VAL 90 HB VAL 90 3.278 3.177 9.762 687 HG11 VAL 90 1HG1 VAL 90 3.737 5.595 11.554 688 HG12 VAL 90 2HG1 VAL 90 4.936 4.331 11.205 689 HG13 VAL 90 3HG1 VAL 90 4.352 5.371 9.906 690 HG21 VAL 90 3HG2 VAL 90 2.010 2.202 11.577 691 HG22 VAL 90 1HG2 VAL 90 3.616 2.628 12.172 692 HG23 VAL 90 2HG2 VAL 90 2.219 3.671 12.558 693 H THR 91 H THR 91 1.924 7.198 9.502 694 HA THR 91 HA THR 91 2.073 6.663 6.571 695 HB THR 91 HB THR 91 1.831 9.160 6.465 696 HG1 THR 91 1HG THR 91 0.939 10.046 8.468 697 HG21 THR 91 3HG2 THR 91 -0.280 7.319 7.649 698 HG22 THR 91 1HG2 THR 91 -0.158 8.021 6.040 699 HG23 THR 91 2HG2 THR 91 -0.651 9.012 7.378 700 H LYS 92 H LYS 92 3.705 7.859 5.281 701 HA LYS 92 HA LYS 92 6.104 8.836 6.619 702 HB2 LYS 92 1HB LYS 92 5.924 6.138 5.509 703 HB3 LYS 92 2HB LYS 92 6.953 7.118 4.459 704 HG2 LYS 92 1HG LYS 92 8.351 7.758 6.310 705 HG3 LYS 92 2HG LYS 92 7.341 6.849 7.455 706 HD2 LYS 92 1HD LYS 92 7.836 4.752 6.343 707 HD3 LYS 92 2HD LYS 92 8.727 5.576 5.043 708 HE2 LYS 92 1HE LYS 92 10.519 6.158 6.428 709 HE3 LYS 92 2HE LYS 92 9.561 5.994 7.908 710 HZ1 LYS 92 3HZ LYS 92 10.325 3.717 6.205 711 HZ2 LYS 92 1HZ LYS 92 9.585 3.648 7.689 712 HZ3 LYS 92 2HZ LYS 92 11.138 4.170 7.553 713 H TYR 93 H TYR 93 7.382 10.128 5.031 714 HA TYR 93 HA TYR 93 5.952 10.741 2.507 715 HB2 TYR 93 1HB TYR 93 8.513 11.886 3.666 716 HB3 TYR 93 2HB TYR 93 7.863 12.275 2.081 717 HD1 TYR 93 2HD TYR 93 5.298 13.146 2.049 718 HD2 TYR 93 1HD TYR 93 7.929 13.303 5.473 719 HE1 TYR 93 2HE TYR 93 3.865 14.830 3.059 720 HE2 TYR 93 1HE TYR 93 6.461 15.000 6.506 721 HH TYR 93 HH TYR 93 4.320 16.035 6.402 722 H CYS 94 H CYS 94 6.748 9.987 0.563 723 HA CYS 94 HA CYS 94 8.978 8.013 0.617 724 HB2 CYS 94 1HB CYS 94 6.245 7.632 -0.166 725 HB3 CYS 94 2HB CYS 94 7.160 7.694 -1.660 726 HG CYS 94 HG CYS 94 8.808 5.782 -1.163 727 H ASP 95 H ASP 95 9.332 7.839 -2.156 728 HA ASP 95 HA ASP 95 9.796 10.612 -3.092 729 HB2 ASP 95 1HB ASP 95 11.613 8.213 -3.485 730 HB3 ASP 95 2HB ASP 95 11.730 9.714 -4.379 731 HA PRO 96 HA PRO 96 7.198 8.943 -6.240 732 HB2 PRO 96 1HB PRO 96 7.198 10.920 -8.112 733 HB3 PRO 96 2HB PRO 96 6.583 11.208 -6.466 734 HG2 PRO 96 1HG PRO 96 9.364 11.754 -7.497 735 HG3 PRO 96 2HG PRO 96 8.280 12.906 -6.674 736 HD2 PRO 96 1HD PRO 96 10.132 11.590 -5.236 737 HD3 PRO 96 2HD PRO 96 8.449 11.737 -4.624 738 H ASP 97 H ASP 97 10.558 9.614 -7.245 739 HA ASP 97 HA ASP 97 10.408 8.642 -9.902 740 HB2 ASP 97 1HB ASP 97 12.551 9.392 -8.432 741 HB3 ASP 97 2HB ASP 97 12.696 7.609 -8.292 742 H SER 98 H SER 98 10.842 6.828 -6.846 743 HA SER 98 HA SER 98 10.829 4.314 -8.109 744 HB2 SER 98 1HB SER 98 10.655 3.654 -5.528 745 HB3 SER 98 2HB SER 98 12.123 4.321 -6.241 746 HG SER 98 HG SER 98 10.315 5.528 -4.487 747 H TYR 99 H TYR 99 8.297 6.401 -7.775 748 HA TYR 99 HA TYR 99 6.194 4.338 -7.346 749 HB2 TYR 99 1HB TYR 99 5.980 6.620 -6.235 750 HB3 TYR 99 2HB TYR 99 5.836 7.328 -7.832 751 HD1 TYR 99 1HD TYR 99 4.277 4.901 -5.494 752 HD2 TYR 99 2HD TYR 99 3.688 7.398 -8.966 753 HE1 TYR 99 1HE TYR 99 1.813 4.404 -5.497 754 HE2 TYR 99 2HE TYR 99 1.321 6.762 -9.045 755 HH TYR 99 HH TYR 99 -0.407 5.574 -7.964 756 H HIS 100 H HIS 100 7.607 6.698 -9.650 757 HA HIS 100 HA HIS 100 5.906 6.113 -11.852 758 HB2 HIS 100 1HB HIS 100 8.811 7.042 -11.920 759 HB3 HIS 100 2HB HIS 100 7.590 7.246 -13.169 760 HD1 HIS 100 1HD HIS 100 9.234 9.625 -11.371 761 HD2 HIS 100 2HD HIS 100 5.210 8.346 -11.222 762 HE1 HIS 100 1HE HIS 100 7.887 11.612 -10.571 763 H ARG 101 H ARG 101 8.665 4.408 -10.543 764 HA ARG 101 HA ARG 101 8.546 2.383 -12.731 765 HB2 ARG 101 1HB ARG 101 10.924 3.556 -11.200 766 HB3 ARG 101 2HB ARG 101 11.009 2.036 -12.087 767 HG2 ARG 101 1HG ARG 101 10.273 3.219 -14.152 768 HG3 ARG 101 2HG ARG 101 10.406 4.767 -13.298 769 HD2 ARG 101 1HD ARG 101 12.727 4.654 -13.139 770 HD3 ARG 101 2HD ARG 101 12.744 2.886 -13.167 771 HE ARG 101 HE ARG 101 11.830 3.976 -15.667 772 HH11 ARG 101 1HH1 ARG 101 14.762 3.321 -13.820 773 HH12 ARG 101 2HH1 ARG 101 15.787 3.164 -15.196 774 HH21 ARG 101 1HH2 ARG 101 13.142 3.615 -17.514 775 HH22 ARG 101 2HH2 ARG 101 14.773 3.047 -17.360 776 H ARG 102 H ARG 102 9.372 0.267 -11.968 777 HA ARG 102 HA ARG 102 7.853 -0.562 -9.679 778 HB2 ARG 102 1HB ARG 102 8.405 -1.662 -12.063 779 HB3 ARG 102 2HB ARG 102 9.657 -2.489 -11.163 780 HG2 ARG 102 1HG ARG 102 6.704 -2.493 -10.322 781 HG3 ARG 102 2HG ARG 102 7.336 -3.594 -11.540 782 HD2 ARG 102 1HD ARG 102 8.914 -4.581 -9.931 783 HD3 ARG 102 2HD ARG 102 8.317 -3.497 -8.677 784 HE ARG 102 HE ARG 102 6.341 -4.672 -8.486 785 HH11 ARG 102 1HH1 ARG 102 8.119 -6.134 -11.253 786 HH12 ARG 102 2HH1 ARG 102 7.362 -7.669 -11.014 787 HH21 ARG 102 1HH2 ARG 102 5.274 -6.758 -8.345 788 HH22 ARG 102 2HH2 ARG 102 5.756 -7.970 -9.493 789 H ASP 103 H ASP 103 10.102 1.125 -8.858 790 HA ASP 103 HA ASP 103 12.329 -0.716 -8.229 791 HB2 ASP 103 1HB ASP 103 12.616 1.417 -9.555 792 HB3 ASP 103 2HB ASP 103 12.266 2.302 -8.106 793 H PHE 104 H PHE 104 10.143 -1.088 -6.647 794 HA PHE 104 HA PHE 104 9.873 0.523 -4.361 795 HB2 PHE 104 1HB PHE 104 8.967 -2.352 -4.635 796 HB3 PHE 104 2HB PHE 104 8.244 -1.074 -3.718 797 HD1 PHE 104 1HD PHE 104 8.095 1.157 -5.750 798 HD2 PHE 104 2HD PHE 104 7.289 -3.070 -6.118 799 HE1 PHE 104 1HE PHE 104 6.623 1.603 -7.686 800 HE2 PHE 104 2HE PHE 104 5.779 -2.591 -8.039 801 HZ PHE 104 HZ PHE 104 5.475 -0.271 -8.840 802 H TRP 105 H TRP 105 12.511 -0.955 -4.655 803 HA TRP 105 HA TRP 105 12.763 -3.177 -2.931 804 HB2 TRP 105 1HB TRP 105 14.412 -2.295 -4.703 805 HB3 TRP 105 2HB TRP 105 15.063 -1.274 -3.438 806 HD1 TRP 105 HD TRP 105 15.559 -2.896 -1.039 807 HE1 TRP 105 1HE TRP 105 16.707 -5.182 -0.907 808 HE3 TRP 105 3HE TRP 105 15.345 -4.186 -5.985 809 HZ2 TRP 105 2HZ TRP 105 17.337 -7.343 -2.691 810 HZ3 TRP 105 3HZ TRP 105 16.336 -6.342 -6.754 811 HH2 TRP 105 HH TRP 105 17.299 -7.919 -5.127 Start of MODEL 16 1 H1 GLY 1 H GLY 1 16.125 13.805 6.621 2 HA2 GLY 1 1HA GLY 1 16.924 12.171 5.006 3 HA3 GLY 1 2HA GLY 1 16.156 10.904 5.994 4 H GLY 2 H GLY 2 15.690 12.512 3.155 5 HA2 GLY 2 1HA GLY 2 13.849 12.660 1.824 6 HA3 GLY 2 2HA GLY 2 12.864 11.965 3.133 7 H HIS 3 H HIS 3 11.495 13.617 1.928 8 HA HIS 3 HA HIS 3 11.083 16.109 3.374 9 HB2 HIS 3 1HB HIS 3 11.171 17.346 1.191 10 HB3 HIS 3 2HB HIS 3 12.753 16.826 1.757 11 HD1 HIS 3 1HD HIS 3 14.184 15.466 -0.043 12 HD2 HIS 3 2HD HIS 3 10.034 15.591 -0.769 13 HE1 HIS 3 1HE HIS 3 13.802 14.357 -2.292 14 HA PRO 4 HA PRO 4 6.990 14.852 1.991 15 HB2 PRO 4 1HB PRO 4 5.730 17.303 1.478 16 HB3 PRO 4 2HB PRO 4 5.875 16.548 3.066 17 HG2 PRO 4 1HG PRO 4 7.586 18.685 1.867 18 HG3 PRO 4 2HG PRO 4 7.010 18.526 3.534 19 HD2 PRO 4 1HD PRO 4 9.542 17.889 2.764 20 HD3 PRO 4 2HD PRO 4 8.718 16.987 4.046 21 H THR 5 H THR 5 5.977 14.279 0.071 22 HA THR 5 HA THR 5 6.687 15.650 -2.434 23 HB THR 5 HB THR 5 6.896 13.389 -3.489 24 HG1 THR 5 1HG THR 5 7.371 11.771 -1.619 25 HG21 THR 5 3HG2 THR 5 8.934 14.575 -2.661 26 HG22 THR 5 1HG2 THR 5 9.079 12.806 -2.742 27 HG23 THR 5 2HG2 THR 5 8.845 13.590 -1.170 28 H GLU 6 H GLU 6 5.145 14.514 -4.147 29 HA GLU 6 HA GLU 6 2.425 14.809 -3.277 30 HB2 GLU 6 1HB GLU 6 3.940 14.461 -5.774 31 HB3 GLU 6 2HB GLU 6 2.462 13.499 -5.805 32 HG2 GLU 6 1HG GLU 6 1.133 15.358 -5.715 33 HG3 GLU 6 2HG GLU 6 2.283 16.256 -4.727 34 H VAL 7 H VAL 7 4.478 12.087 -2.623 35 HA VAL 7 HA VAL 7 2.068 10.379 -2.723 36 HB VAL 7 HB VAL 7 3.369 8.607 -3.394 37 HG11 VAL 7 1HG1 VAL 7 4.187 9.223 -5.583 38 HG12 VAL 7 2HG1 VAL 7 2.933 10.423 -5.215 39 HG13 VAL 7 3HG1 VAL 7 4.637 10.845 -5.039 40 HG21 VAL 7 3HG2 VAL 7 5.926 10.067 -2.984 41 HG22 VAL 7 1HG2 VAL 7 5.167 8.747 -2.028 42 HG23 VAL 7 2HG2 VAL 7 5.673 8.429 -3.686 43 H LEU 8 H LEU 8 1.767 8.903 -1.175 44 HA LEU 8 HA LEU 8 2.955 9.444 1.493 45 HB2 LEU 8 1HB LEU 8 0.757 10.428 1.179 46 HB3 LEU 8 2HB LEU 8 0.126 8.943 0.479 47 HG LEU 8 HG LEU 8 0.055 7.822 2.585 48 HD11 LEU 8 1HD1 LEU 8 1.903 10.006 3.420 49 HD12 LEU 8 2HD1 LEU 8 1.929 8.293 3.869 50 HD13 LEU 8 3HD1 LEU 8 0.802 9.411 4.661 51 HD21 LEU 8 3HD2 LEU 8 -1.737 9.504 2.192 52 HD22 LEU 8 1HD2 LEU 8 -0.757 10.729 3.022 53 HD23 LEU 8 2HD2 LEU 8 -1.382 9.315 3.911 54 H CYS 9 H CYS 9 3.866 7.590 2.424 55 HA CYS 9 HA CYS 9 3.239 4.978 1.158 56 HB2 CYS 9 1HB CYS 9 5.256 4.382 2.665 57 HB3 CYS 9 2HB CYS 9 5.512 5.009 1.017 58 HG CYS 9 HG CYS 9 7.168 6.498 1.801 59 H LEU 10 H LEU 10 2.576 3.328 2.391 60 HA LEU 10 HA LEU 10 1.606 3.933 5.119 61 HB2 LEU 10 1HB LEU 10 0.242 2.579 2.780 62 HB3 LEU 10 2HB LEU 10 -0.417 2.752 4.398 63 HG LEU 10 HG LEU 10 0.170 5.061 2.511 64 HD11 LEU 10 1HD1 LEU 10 -1.643 3.571 1.791 65 HD12 LEU 10 2HD1 LEU 10 -2.296 5.110 2.373 66 HD13 LEU 10 3HD1 LEU 10 -2.391 3.666 3.385 67 HD21 LEU 10 3HD2 LEU 10 -1.144 6.390 4.138 68 HD22 LEU 10 1HD2 LEU 10 0.319 5.747 4.890 69 HD23 LEU 10 2HD2 LEU 10 -1.255 4.987 5.216 70 H MET 11 H MET 11 2.283 2.482 6.526 71 HA MET 11 HA MET 11 2.933 -0.311 5.633 72 HB2 MET 11 1HB MET 11 3.879 1.308 8.030 73 HB3 MET 11 2HB MET 11 4.116 -0.419 7.841 74 HG2 MET 11 1HG MET 11 6.132 0.674 7.203 75 HG3 MET 11 2HG MET 11 5.409 -0.092 5.801 76 HE1 MET 11 3HE MET 11 6.170 3.307 7.637 77 HE2 MET 11 1HE MET 11 5.638 4.521 6.454 78 HE3 MET 11 2HE MET 11 4.436 3.543 7.324 79 H ASN 12 H ASN 12 2.091 -2.055 6.928 80 HA ASN 12 HA ASN 12 0.931 -3.191 8.404 81 HB2 ASN 12 1HB ASN 12 -0.026 -0.731 9.784 82 HB3 ASN 12 2HB ASN 12 0.186 -2.349 10.450 83 HD21 ASN 12 1HD2 ASN 12 1.189 0.317 11.289 84 HD22 ASN 12 2HD2 ASN 12 2.910 0.106 11.519 85 H MET 13 H MET 13 -0.309 -1.949 5.917 86 HA MET 13 HA MET 13 -3.196 -2.265 6.544 87 HB2 MET 13 1HB MET 13 -1.586 -1.489 4.149 88 HB3 MET 13 2HB MET 13 -2.969 -2.518 3.826 89 HG2 MET 13 1HG MET 13 -4.164 -0.722 3.689 90 HG3 MET 13 2HG MET 13 -4.085 -0.660 5.440 91 HE1 MET 13 3HE MET 13 -1.970 0.269 6.572 92 HE2 MET 13 1HE MET 13 -0.584 0.410 5.470 93 HE3 MET 13 2HE MET 13 -1.326 1.864 6.167 94 H VAL 14 H VAL 14 -1.176 -3.835 4.134 95 HA VAL 14 HA VAL 14 -2.747 -6.176 4.349 96 HB VAL 14 HB VAL 14 -1.407 -6.749 2.237 97 HG11 VAL 14 1HG1 VAL 14 -3.533 -5.698 1.943 98 HG12 VAL 14 2HG1 VAL 14 -2.924 -4.131 2.476 99 HG13 VAL 14 3HG1 VAL 14 -2.413 -4.769 0.938 100 HG21 VAL 14 3HG2 VAL 14 0.622 -5.399 2.837 101 HG22 VAL 14 1HG2 VAL 14 -0.014 -5.055 1.223 102 HG23 VAL 14 2HG2 VAL 14 -0.304 -3.911 2.535 103 H LEU 15 H LEU 15 -1.640 -8.370 3.851 104 HA LEU 15 HA LEU 15 0.790 -8.804 5.506 105 HB2 LEU 15 1HB LEU 15 -1.765 -10.463 5.391 106 HB3 LEU 15 2HB LEU 15 -0.271 -11.106 6.019 107 HG LEU 15 HG LEU 15 -1.824 -8.769 7.160 108 HD11 LEU 15 1HD1 LEU 15 -2.871 -10.963 7.554 109 HD12 LEU 15 2HD1 LEU 15 -2.214 -10.337 9.062 110 HD13 LEU 15 3HD1 LEU 15 -1.350 -11.616 8.180 111 HD21 LEU 15 3HD2 LEU 15 -0.281 -8.863 9.060 112 HD22 LEU 15 1HD2 LEU 15 0.574 -8.418 7.603 113 HD23 LEU 15 2HD2 LEU 15 0.718 -10.085 8.214 114 HA PRO 16 HA PRO 16 2.196 -10.770 1.924 115 HB2 PRO 16 1HB PRO 16 3.989 -12.688 2.827 116 HB3 PRO 16 2HB PRO 16 4.277 -10.935 2.997 117 HG2 PRO 16 1HG PRO 16 3.112 -12.834 5.056 118 HG3 PRO 16 2HG PRO 16 4.432 -11.639 5.273 119 HD2 PRO 16 1HD PRO 16 1.874 -11.095 5.978 120 HD3 PRO 16 2HD PRO 16 2.913 -9.834 5.270 121 H GLU 17 H GLU 17 -0.038 -12.362 3.772 122 HA GLU 17 HA GLU 17 -0.309 -14.566 1.820 123 HB2 GLU 17 1HB GLU 17 -1.123 -16.011 3.676 124 HB3 GLU 17 2HB GLU 17 0.582 -15.618 3.714 125 HG2 GLU 17 1HG GLU 17 0.163 -13.878 5.461 126 HG3 GLU 17 2HG GLU 17 -1.550 -14.282 5.434 127 H GLU 18 H GLU 18 -1.512 -11.738 2.191 128 HA GLU 18 HA GLU 18 -4.355 -12.553 2.003 129 HB2 GLU 18 1HB GLU 18 -3.224 -10.309 3.672 130 HB3 GLU 18 2HB GLU 18 -4.952 -10.589 3.400 131 HG2 GLU 18 1HG GLU 18 -3.134 -12.536 4.877 132 HG3 GLU 18 2HG GLU 18 -4.064 -11.254 5.625 133 H LEU 19 H LEU 19 -2.330 -11.890 -0.011 134 HA LEU 19 HA LEU 19 -3.749 -9.660 -1.403 135 HB2 LEU 19 1HB LEU 19 -0.761 -10.228 -1.384 136 HB3 LEU 19 2HB LEU 19 -1.570 -9.120 -2.478 137 HG LEU 19 HG LEU 19 -1.467 -8.780 0.540 138 HD11 LEU 19 1HD1 LEU 19 0.134 -7.018 0.085 139 HD12 LEU 19 2HD1 LEU 19 0.026 -7.322 -1.658 140 HD13 LEU 19 3HD1 LEU 19 0.745 -8.530 -0.563 141 HD21 LEU 19 3HD2 LEU 19 -2.244 -6.400 -0.346 142 HD22 LEU 19 1HD2 LEU 19 -3.476 -7.663 -0.309 143 HD23 LEU 19 2HD2 LEU 19 -2.706 -7.221 -1.827 144 H LEU 20 H LEU 20 -4.421 -12.389 -1.436 145 HA LEU 20 HA LEU 20 -3.475 -13.285 -4.135 146 HB2 LEU 20 1HB LEU 20 -4.810 -15.031 -2.050 147 HB3 LEU 20 2HB LEU 20 -4.049 -15.483 -3.559 148 HG LEU 20 HG LEU 20 -2.570 -16.230 -2.015 149 HD11 LEU 20 1HD1 LEU 20 -1.368 -13.527 -2.675 150 HD12 LEU 20 2HD1 LEU 20 -1.410 -14.942 -3.753 151 HD13 LEU 20 3HD1 LEU 20 -0.525 -15.005 -2.212 152 HD21 LEU 20 3HD2 LEU 20 -1.745 -15.104 -0.040 153 HD22 LEU 20 1HD2 LEU 20 -3.518 -15.128 -0.013 154 HD23 LEU 20 2HD2 LEU 20 -2.657 -13.650 -0.423 155 H ASP 21 H ASP 21 -6.359 -12.673 -2.096 156 HA ASP 21 HA ASP 21 -8.268 -13.497 -4.027 157 HB2 ASP 21 1HB ASP 21 -8.303 -11.964 -1.436 158 HB3 ASP 21 2HB ASP 21 -9.710 -11.859 -2.499 159 H ASP 22 H ASP 22 -7.800 -12.602 -5.976 160 HA ASP 22 HA ASP 22 -7.235 -10.026 -6.792 161 HB2 ASP 22 1HB ASP 22 -9.023 -12.117 -8.139 162 HB3 ASP 22 2HB ASP 22 -8.548 -10.620 -8.916 163 H GLU 23 H GLU 23 -10.417 -11.261 -5.851 164 HA GLU 23 HA GLU 23 -11.859 -8.977 -6.929 165 HB2 GLU 23 1HB GLU 23 -12.734 -11.042 -4.845 166 HB3 GLU 23 2HB GLU 23 -13.784 -9.870 -5.663 167 HG2 GLU 23 1HG GLU 23 -13.094 -10.895 -7.851 168 HG3 GLU 23 2HG GLU 23 -12.260 -12.168 -6.952 169 H GLU 24 H GLU 24 -11.030 -10.073 -3.605 170 HA GLU 24 HA GLU 24 -12.256 -7.911 -2.332 171 HB2 GLU 24 1HB GLU 24 -11.371 -10.268 -1.483 172 HB3 GLU 24 2HB GLU 24 -9.903 -9.356 -1.100 173 HG2 GLU 24 1HG GLU 24 -11.346 -7.756 0.230 174 HG3 GLU 24 2HG GLU 24 -12.748 -8.726 -0.187 175 H TYR 25 H TYR 25 -8.922 -8.353 -3.519 176 HA TYR 25 HA TYR 25 -7.578 -6.093 -2.597 177 HB2 TYR 25 1HB TYR 25 -6.669 -7.823 -4.018 178 HB3 TYR 25 2HB TYR 25 -7.670 -7.331 -5.367 179 HD1 TYR 25 1HD TYR 25 -7.305 -5.014 -6.380 180 HD2 TYR 25 2HD TYR 25 -4.505 -6.925 -3.717 181 HE1 TYR 25 1HE TYR 25 -5.496 -3.604 -7.320 182 HE2 TYR 25 2HE TYR 25 -2.663 -5.568 -4.702 183 HH TYR 25 HH TYR 25 -3.168 -3.150 -7.324 184 H GLU 26 H GLU 26 -10.085 -6.282 -5.254 185 HA GLU 26 HA GLU 26 -9.412 -3.548 -6.046 186 HB2 GLU 26 1HB GLU 26 -10.524 -5.843 -7.359 187 HB3 GLU 26 2HB GLU 26 -11.782 -4.594 -7.356 188 HG2 GLU 26 1HG GLU 26 -10.102 -2.943 -8.195 189 HG3 GLU 26 2HG GLU 26 -8.857 -4.189 -8.129 190 H GLU 27 H GLU 27 -11.848 -5.105 -4.224 191 HA GLU 27 HA GLU 27 -13.645 -2.889 -3.773 192 HB2 GLU 27 1HB GLU 27 -12.919 -5.167 -1.878 193 HB3 GLU 27 2HB GLU 27 -14.307 -4.108 -1.750 194 HG2 GLU 27 1HG GLU 27 -13.741 -6.027 -4.051 195 HG3 GLU 27 2HG GLU 27 -14.805 -6.341 -2.680 196 H ILE 28 H ILE 28 -10.883 -4.205 -1.906 197 HA ILE 28 HA ILE 28 -11.005 -2.316 0.182 198 HB ILE 28 HB ILE 28 -8.699 -4.041 -0.832 199 HG12 ILE 28 1HG1 ILE 28 -10.278 -4.488 1.721 200 HG13 ILE 28 2HG1 ILE 28 -10.911 -5.101 0.206 201 HG21 ILE 28 1HG2 ILE 28 -7.856 -3.648 1.589 202 HG22 ILE 28 2HG2 ILE 28 -7.677 -2.309 0.438 203 HG23 ILE 28 3HG2 ILE 28 -9.004 -2.288 1.636 204 HD11 ILE 28 3HD1 ILE 28 -8.178 -5.813 1.383 205 HD12 ILE 28 1HD1 ILE 28 -9.628 -6.822 1.396 206 HD13 ILE 28 2HD1 ILE 28 -8.832 -6.426 -0.137 207 H VAL 29 H VAL 29 -9.232 -2.156 -2.926 208 HA VAL 29 HA VAL 29 -7.714 0.188 -2.271 209 HB VAL 29 HB VAL 29 -8.795 -0.851 -4.908 210 HG11 VAL 29 1HG1 VAL 29 -8.431 1.542 -5.251 211 HG12 VAL 29 2HG1 VAL 29 -6.888 1.476 -4.378 212 HG13 VAL 29 3HG1 VAL 29 -7.046 0.694 -5.957 213 HG21 VAL 29 3HG2 VAL 29 -6.508 -1.609 -5.301 214 HG22 VAL 29 1HG2 VAL 29 -5.918 -0.736 -3.870 215 HG23 VAL 29 2HG2 VAL 29 -6.937 -2.160 -3.681 216 H GLU 30 H GLU 30 -11.102 -0.194 -3.530 217 HA GLU 30 HA GLU 30 -11.347 2.648 -3.988 218 HB2 GLU 30 1HB GLU 30 -13.331 0.339 -3.931 219 HB3 GLU 30 2HB GLU 30 -13.826 2.001 -4.259 220 HG2 GLU 30 1HG GLU 30 -11.637 0.691 -5.913 221 HG3 GLU 30 2HG GLU 30 -13.335 0.400 -6.235 222 H ASP 31 H ASP 31 -12.302 0.445 -1.361 223 HA ASP 31 HA ASP 31 -13.888 2.492 -0.075 224 HB2 ASP 31 1HB ASP 31 -13.819 -0.132 0.444 225 HB3 ASP 31 2HB ASP 31 -12.581 0.330 1.581 226 H VAL 32 H VAL 32 -10.511 1.720 0.042 227 HA VAL 32 HA VAL 32 -10.041 3.483 2.394 228 HB VAL 32 HB VAL 32 -8.077 2.034 0.555 229 HG11 VAL 32 1HG1 VAL 32 -7.072 4.104 1.639 230 HG12 VAL 32 2HG1 VAL 32 -7.549 3.453 3.208 231 HG13 VAL 32 3HG1 VAL 32 -6.373 2.581 2.207 232 HG21 VAL 32 3HG2 VAL 32 -9.431 0.493 2.026 233 HG22 VAL 32 1HG2 VAL 32 -7.709 0.493 2.424 234 HG23 VAL 32 2HG2 VAL 32 -8.849 1.387 3.437 235 H ARG 33 H ARG 33 -9.663 3.493 -1.225 236 HA ARG 33 HA ARG 33 -8.159 5.873 -1.257 237 HB2 ARG 33 1HB ARG 33 -8.640 4.344 -3.264 238 HB3 ARG 33 2HB ARG 33 -10.261 5.034 -3.346 239 HG2 ARG 33 1HG ARG 33 -9.345 7.243 -3.878 240 HG3 ARG 33 2HG ARG 33 -7.724 6.690 -3.448 241 HD2 ARG 33 1HD ARG 33 -7.697 6.692 -5.787 242 HD3 ARG 33 2HD ARG 33 -7.926 4.985 -5.368 243 HE ARG 33 HE ARG 33 -10.423 6.410 -5.717 244 HH11 ARG 33 1HH1 ARG 33 -8.102 4.214 -7.386 245 HH12 ARG 33 2HH1 ARG 33 -9.178 4.070 -8.708 246 HH21 ARG 33 1HH2 ARG 33 -11.511 6.468 -7.707 247 HH22 ARG 33 2HH2 ARG 33 -10.955 5.530 -9.033 248 H ASP 34 H ASP 34 -11.685 5.456 -0.977 249 HA ASP 34 HA ASP 34 -12.142 8.265 -1.161 250 HB2 ASP 34 1HB ASP 34 -13.750 6.009 -0.786 251 HB3 ASP 34 2HB ASP 34 -13.940 6.857 0.690 252 H GLU 35 H GLU 35 -10.979 6.253 1.516 253 HA GLU 35 HA GLU 35 -11.681 8.237 3.437 254 HB2 GLU 35 1HB GLU 35 -10.682 7.095 5.089 255 HB3 GLU 35 2HB GLU 35 -11.403 5.854 4.104 256 HG2 GLU 35 1HG GLU 35 -9.307 4.961 3.605 257 HG3 GLU 35 2HG GLU 35 -8.414 6.423 3.855 258 H CYS 36 H CYS 36 -8.664 7.427 1.643 259 HA CYS 36 HA CYS 36 -7.327 9.711 2.740 260 HB2 CYS 36 1HB CYS 36 -5.816 9.122 0.637 261 HB3 CYS 36 2HB CYS 36 -5.706 8.279 2.179 262 HG CYS 36 HG CYS 36 -5.286 6.761 0.166 263 H SER 37 H SER 37 -9.475 9.311 0.016 264 HA SER 37 HA SER 37 -9.011 11.767 -1.247 265 HB2 SER 37 1HB SER 37 -10.362 9.850 -2.088 266 HB3 SER 37 2HB SER 37 -11.656 10.320 -0.967 267 HG SER 37 HG SER 37 -12.217 11.815 -2.267 268 H LYS 38 H LYS 38 -10.295 11.250 1.971 269 HA LYS 38 HA LYS 38 -11.977 13.551 2.153 270 HB2 LYS 38 1HB LYS 38 -10.357 12.021 4.212 271 HB3 LYS 38 2HB LYS 38 -11.361 13.396 4.649 272 HG2 LYS 38 1HG LYS 38 -13.321 12.349 3.690 273 HG3 LYS 38 2HG LYS 38 -12.393 10.915 3.227 274 HD2 LYS 38 1HD LYS 38 -12.058 10.202 5.419 275 HD3 LYS 38 2HD LYS 38 -12.285 11.797 6.115 276 HE2 LYS 38 1HE LYS 38 -14.506 10.050 4.974 277 HE3 LYS 38 2HE LYS 38 -14.137 10.292 6.676 278 HZ1 LYS 38 3HZ LYS 38 -15.344 12.158 4.796 279 HZ2 LYS 38 1HZ LYS 38 -14.506 12.762 6.095 280 HZ3 LYS 38 2HZ LYS 38 -15.800 11.769 6.325 281 H TYR 39 H TYR 39 -8.633 13.546 1.663 282 HA TYR 39 HA TYR 39 -8.408 16.316 2.806 283 HB2 TYR 39 1HB TYR 39 -6.235 14.217 2.779 284 HB3 TYR 39 2HB TYR 39 -6.190 15.791 3.561 285 HD1 TYR 39 1HD TYR 39 -7.664 16.242 5.596 286 HD2 TYR 39 2HD TYR 39 -7.366 12.329 3.796 287 HE1 TYR 39 1HE TYR 39 -8.716 15.243 7.603 288 HE2 TYR 39 2HE TYR 39 -8.425 11.345 5.793 289 HH TYR 39 HH TYR 39 -9.643 13.239 8.537 290 H GLY 40 H GLY 40 -8.414 14.711 -0.144 291 HA2 GLY 40 1HA GLY 40 -7.556 16.792 -1.747 292 HA3 GLY 40 2HA GLY 40 -6.143 15.782 -1.483 293 H LEU 41 H LEU 41 -6.518 15.625 -3.830 294 HA LEU 41 HA LEU 41 -8.428 13.434 -4.497 295 HB2 LEU 41 1HB LEU 41 -8.478 15.437 -5.842 296 HB3 LEU 41 2HB LEU 41 -6.755 15.330 -6.081 297 HG LEU 41 HG LEU 41 -8.273 14.695 -8.017 298 HD11 LEU 41 1HD1 LEU 41 -6.998 12.956 -8.938 299 HD12 LEU 41 2HD1 LEU 41 -6.548 12.312 -7.358 300 HD13 LEU 41 3HD1 LEU 41 -5.883 13.863 -7.890 301 HD21 LEU 41 3HD2 LEU 41 -9.412 12.575 -8.073 302 HD22 LEU 41 1HD2 LEU 41 -9.958 13.512 -6.670 303 HD23 LEU 41 2HD2 LEU 41 -8.831 12.160 -6.450 304 H VAL 42 H VAL 42 -7.664 11.525 -4.201 305 HA VAL 42 HA VAL 42 -4.822 10.808 -4.073 306 HB VAL 42 HB VAL 42 -7.326 9.080 -4.054 307 HG11 VAL 42 1HG1 VAL 42 -5.647 7.375 -3.066 308 HG12 VAL 42 2HG1 VAL 42 -5.474 7.718 -4.796 309 HG13 VAL 42 3HG1 VAL 42 -4.369 8.467 -3.630 310 HG21 VAL 42 3HG2 VAL 42 -7.082 8.848 -1.683 311 HG22 VAL 42 1HG2 VAL 42 -5.553 9.740 -1.681 312 HG23 VAL 42 2HG2 VAL 42 -7.090 10.575 -2.019 313 H LYS 43 H LYS 43 -3.737 10.753 -5.936 314 HA LYS 43 HA LYS 43 -4.934 10.669 -8.530 315 HB2 LYS 43 1HB LYS 43 -2.676 11.710 -7.818 316 HB3 LYS 43 2HB LYS 43 -2.094 10.061 -7.707 317 HG2 LYS 43 1HG LYS 43 -1.273 10.706 -9.739 318 HG3 LYS 43 2HG LYS 43 -2.699 9.809 -10.209 319 HD2 LYS 43 1HD LYS 43 -2.490 12.852 -9.938 320 HD3 LYS 43 2HD LYS 43 -2.299 11.971 -11.437 321 HE2 LYS 43 1HE LYS 43 -4.831 12.161 -9.759 322 HE3 LYS 43 2HE LYS 43 -4.533 12.959 -11.297 323 HZ1 LYS 43 3HZ LYS 43 -4.488 10.014 -11.149 324 HZ2 LYS 43 1HZ LYS 43 -4.693 10.971 -12.441 325 HZ3 LYS 43 2HZ LYS 43 -5.895 10.838 -11.345 326 H SER 44 H SER 44 -3.008 8.192 -6.697 327 HA SER 44 HA SER 44 -4.645 5.997 -7.598 328 HB2 SER 44 1HB SER 44 -1.918 6.431 -8.894 329 HB3 SER 44 2HB SER 44 -2.651 4.840 -8.762 330 HG SER 44 HG SER 44 -3.935 7.067 -9.957 331 H ILE 45 H ILE 45 -3.483 3.800 -6.932 332 HA ILE 45 HA ILE 45 -1.803 4.212 -4.558 333 HB ILE 45 HB ILE 45 -4.323 2.518 -4.647 334 HG12 ILE 45 1HG1 ILE 45 -3.987 4.758 -2.660 335 HG13 ILE 45 2HG1 ILE 45 -4.434 5.183 -4.278 336 HG21 ILE 45 1HG2 ILE 45 -3.754 2.349 -2.098 337 HG22 ILE 45 2HG2 ILE 45 -2.689 1.462 -3.197 338 HG23 ILE 45 3HG2 ILE 45 -2.181 3.025 -2.524 339 HD11 ILE 45 3HD1 ILE 45 -6.375 4.850 -2.775 340 HD12 ILE 45 1HD1 ILE 45 -6.409 3.787 -4.201 341 HD13 ILE 45 2HD1 ILE 45 -5.946 3.133 -2.614 342 H GLU 46 H GLU 46 -0.492 2.466 -4.185 343 HA GLU 46 HA GLU 46 -0.236 0.432 -6.359 344 HB2 GLU 46 1HB GLU 46 1.578 2.432 -5.871 345 HB3 GLU 46 2HB GLU 46 2.203 1.192 -4.803 346 HG2 GLU 46 1HG GLU 46 1.922 1.224 -7.791 347 HG3 GLU 46 2HG GLU 46 3.340 0.872 -6.845 348 H ILE 47 H ILE 47 -0.314 -1.673 -5.674 349 HA ILE 47 HA ILE 47 0.301 -2.404 -2.879 350 HB ILE 47 HB ILE 47 -2.280 -3.266 -4.187 351 HG12 ILE 47 1HG1 ILE 47 -1.804 -1.101 -2.131 352 HG13 ILE 47 2HG1 ILE 47 -2.530 -0.929 -3.730 353 HG21 ILE 47 1HG2 ILE 47 -1.269 -3.583 -1.322 354 HG22 ILE 47 2HG2 ILE 47 -2.742 -4.281 -2.020 355 HG23 ILE 47 3HG2 ILE 47 -1.182 -4.859 -2.561 356 HD11 ILE 47 3HD1 ILE 47 -3.748 -2.357 -1.348 357 HD12 ILE 47 1HD1 ILE 47 -4.260 -0.835 -2.085 358 HD13 ILE 47 2HD1 ILE 47 -4.429 -2.368 -2.989 359 HA PRO 48 HA PRO 48 2.087 -5.277 -6.039 360 HB2 PRO 48 1HB PRO 48 4.470 -5.778 -4.886 361 HB3 PRO 48 2HB PRO 48 4.136 -4.206 -5.681 362 HG2 PRO 48 1HG PRO 48 4.012 -4.871 -2.732 363 HG3 PRO 48 2HG PRO 48 4.782 -3.472 -3.524 364 HD2 PRO 48 1HD PRO 48 2.228 -3.418 -2.431 365 HD3 PRO 48 2HD PRO 48 2.696 -2.365 -3.786 366 H ARG 49 H ARG 49 1.849 -7.535 -6.003 367 HA ARG 49 HA ARG 49 0.977 -8.743 -3.425 368 HB2 ARG 49 1HB ARG 49 0.368 -9.448 -6.288 369 HB3 ARG 49 2HB ARG 49 -0.399 -10.173 -4.890 370 HG2 ARG 49 1HG ARG 49 -1.717 -8.229 -4.460 371 HG3 ARG 49 2HG ARG 49 -0.716 -7.188 -5.468 372 HD2 ARG 49 1HD ARG 49 -2.388 -9.486 -6.510 373 HD3 ARG 49 2HD ARG 49 -2.878 -7.793 -6.502 374 HE ARG 49 HE ARG 49 -0.729 -9.068 -8.105 375 HH11 ARG 49 1HH1 ARG 49 -3.046 -6.457 -7.809 376 HH12 ARG 49 2HH1 ARG 49 -2.416 -5.449 -9.045 377 HH21 ARG 49 1HH2 ARG 49 0.130 -7.853 -9.888 378 HH22 ARG 49 2HH2 ARG 49 -0.498 -6.269 -10.252 379 HA PRO 50 HA PRO 50 4.348 -11.686 -4.227 380 HB2 PRO 50 1HB PRO 50 3.589 -13.831 -2.756 381 HB3 PRO 50 2HB PRO 50 4.225 -12.328 -2.025 382 HG2 PRO 50 1HG PRO 50 1.346 -13.207 -2.267 383 HG3 PRO 50 2HG PRO 50 2.184 -12.413 -0.896 384 HD2 PRO 50 1HD PRO 50 0.600 -11.117 -2.798 385 HD3 PRO 50 2HD PRO 50 1.891 -10.311 -1.843 386 H VAL 51 H VAL 51 4.663 -12.955 -5.828 387 HA VAL 51 HA VAL 51 2.381 -13.970 -7.442 388 HB VAL 51 HB VAL 51 4.850 -13.249 -8.295 389 HG11 VAL 51 1HG1 VAL 51 6.338 -14.869 -8.723 390 HG12 VAL 51 2HG1 VAL 51 5.818 -15.035 -7.022 391 HG13 VAL 51 3HG1 VAL 51 5.243 -16.185 -8.226 392 HG21 VAL 51 3HG2 VAL 51 4.424 -14.462 -10.377 393 HG22 VAL 51 1HG2 VAL 51 3.291 -15.571 -9.573 394 HG23 VAL 51 2HG2 VAL 51 2.875 -13.854 -9.768 395 H ASP 52 H ASP 52 2.421 -16.292 -7.976 396 HA ASP 52 HA ASP 52 2.081 -18.053 -5.805 397 HB2 ASP 52 1HB ASP 52 2.282 -18.064 -8.798 398 HB3 ASP 52 2HB ASP 52 2.187 -19.613 -7.985 399 H GLY 53 H GLY 53 4.085 -17.722 -4.845 400 HA2 GLY 53 1HA GLY 53 5.713 -19.451 -4.084 401 HA3 GLY 53 2HA GLY 53 6.265 -19.600 -5.760 402 H VAL 54 H VAL 54 5.905 -16.451 -5.809 403 HA VAL 54 HA VAL 54 8.609 -15.942 -4.570 404 HB VAL 54 HB VAL 54 7.785 -14.475 -7.080 405 HG11 VAL 54 1HG1 VAL 54 9.679 -13.715 -5.782 406 HG12 VAL 54 2HG1 VAL 54 10.431 -15.304 -5.909 407 HG13 VAL 54 3HG1 VAL 54 10.194 -14.322 -7.358 408 HG21 VAL 54 3HG2 VAL 54 9.078 -16.168 -8.407 409 HG22 VAL 54 1HG2 VAL 54 9.227 -17.192 -6.956 410 HG23 VAL 54 2HG2 VAL 54 7.647 -16.932 -7.699 411 H GLU 55 H GLU 55 8.826 -14.312 -3.232 412 HA GLU 55 HA GLU 55 6.672 -12.558 -2.544 413 HB2 GLU 55 1HB GLU 55 8.214 -11.502 -1.021 414 HB3 GLU 55 2HB GLU 55 8.352 -13.265 -0.911 415 HG2 GLU 55 1HG GLU 55 10.311 -13.174 -2.421 416 HG3 GLU 55 2HG GLU 55 10.205 -11.412 -2.476 417 H VAL 56 H VAL 56 7.059 -10.150 -2.521 418 HA VAL 56 HA VAL 56 8.164 -9.122 -5.077 419 HB VAL 56 HB VAL 56 6.449 -7.166 -4.116 420 HG11 VAL 56 1HG1 VAL 56 5.816 -9.405 -6.106 421 HG12 VAL 56 2HG1 VAL 56 5.014 -7.826 -6.041 422 HG13 VAL 56 3HG1 VAL 56 6.725 -7.938 -6.495 423 HG21 VAL 56 3HG2 VAL 56 5.430 -8.723 -2.486 424 HG22 VAL 56 1HG2 VAL 56 4.293 -8.152 -3.700 425 HG23 VAL 56 2HG2 VAL 56 4.979 -9.791 -3.831 426 HA PRO 57 HA PRO 57 11.089 -6.901 -2.849 427 HB2 PRO 57 1HB PRO 57 11.538 -4.657 -4.289 428 HB3 PRO 57 2HB PRO 57 11.987 -6.254 -4.918 429 HG2 PRO 57 1HG PRO 57 9.535 -4.646 -5.622 430 HG3 PRO 57 2HG PRO 57 10.575 -5.636 -6.690 431 HD2 PRO 57 1HD PRO 57 8.157 -6.423 -5.609 432 HD3 PRO 57 2HD PRO 57 9.434 -7.561 -6.093 433 H GLY 58 H GLY 58 10.452 -6.157 -0.891 434 HA2 GLY 58 1HA GLY 58 9.691 -4.719 0.725 435 HA3 GLY 58 2HA GLY 58 9.434 -3.507 -0.538 436 H CYS 59 H CYS 59 8.152 -6.754 0.311 437 HA CYS 59 HA CYS 59 5.437 -6.117 -0.610 438 HB2 CYS 59 1HB CYS 59 6.600 -8.332 -0.699 439 HB3 CYS 59 2HB CYS 59 6.503 -8.425 1.071 440 HG CYS 59 HG CYS 59 4.751 -10.046 0.185 441 H GLY 60 H GLY 60 3.648 -5.937 0.834 442 HA2 GLY 60 1HA GLY 60 2.633 -5.972 2.933 443 HA3 GLY 60 2HA GLY 60 4.166 -5.670 3.734 444 H LYS 61 H LYS 61 4.415 -3.428 1.370 445 HA LYS 61 HA LYS 61 3.170 -1.351 3.105 446 HB2 LYS 61 1HB LYS 61 5.227 -0.797 0.958 447 HB3 LYS 61 2HB LYS 61 4.666 0.233 2.263 448 HG2 LYS 61 1HG LYS 61 6.753 -0.398 2.981 449 HG3 LYS 61 2HG LYS 61 5.759 -1.595 3.828 450 HD2 LYS 61 1HD LYS 61 6.366 -3.324 2.255 451 HD3 LYS 61 2HD LYS 61 6.872 -2.159 1.054 452 HE2 LYS 61 1HE LYS 61 8.341 -2.121 3.626 453 HE3 LYS 61 2HE LYS 61 8.549 -3.560 2.594 454 HZ1 LYS 61 3HZ LYS 61 9.180 -0.766 1.873 455 HZ2 LYS 61 1HZ LYS 61 9.031 -1.903 0.755 456 HZ3 LYS 61 2HZ LYS 61 10.205 -2.033 1.903 457 H ILE 62 H ILE 62 2.329 0.581 1.814 458 HA ILE 62 HA ILE 62 1.266 -0.073 -0.860 459 HB ILE 62 HB ILE 62 -0.361 0.831 1.554 460 HG12 ILE 62 1HG1 ILE 62 -0.482 -1.551 -0.337 461 HG13 ILE 62 2HG1 ILE 62 -0.145 -1.570 1.392 462 HG21 ILE 62 1HG2 ILE 62 -1.065 0.937 -1.408 463 HG22 ILE 62 2HG2 ILE 62 -2.218 1.160 -0.095 464 HG23 ILE 62 3HG2 ILE 62 -0.928 2.311 -0.296 465 HD11 ILE 62 3HD1 ILE 62 -2.371 -2.363 1.020 466 HD12 ILE 62 1HD1 ILE 62 -2.456 -0.790 1.850 467 HD13 ILE 62 2HD1 ILE 62 -2.812 -0.918 0.119 468 H PHE 63 H PHE 63 1.458 1.772 -2.135 469 HA PHE 63 HA PHE 63 2.279 4.324 -0.787 470 HB2 PHE 63 1HB PHE 63 2.987 3.400 -3.587 471 HB3 PHE 63 2HB PHE 63 3.569 4.842 -2.742 472 HD1 PHE 63 2HD PHE 63 3.558 1.085 -2.472 473 HD2 PHE 63 1HD PHE 63 5.734 4.761 -1.840 474 HE1 PHE 63 2HE PHE 63 5.496 -0.177 -1.865 475 HE2 PHE 63 1HE PHE 63 7.762 3.426 -1.295 476 HZ PHE 63 HZ PHE 63 7.661 0.966 -1.291 477 H VAL 64 H VAL 64 1.230 6.243 -1.463 478 HA VAL 64 HA VAL 64 -1.180 5.888 -3.197 479 HB VAL 64 HB VAL 64 -0.936 7.045 -0.417 480 HG11 VAL 64 1HG1 VAL 64 -3.416 6.882 -2.151 481 HG12 VAL 64 2HG1 VAL 64 -3.359 7.459 -0.471 482 HG13 VAL 64 3HG1 VAL 64 -2.551 8.379 -1.754 483 HG21 VAL 64 3HG2 VAL 64 -2.591 5.389 0.266 484 HG22 VAL 64 1HG2 VAL 64 -2.394 4.605 -1.271 485 HG23 VAL 64 2HG2 VAL 64 -1.008 4.721 -0.174 486 H GLU 65 H GLU 65 -0.735 7.238 -4.887 487 HA GLU 65 HA GLU 65 0.961 9.619 -4.479 488 HB2 GLU 65 1HB GLU 65 1.633 8.243 -6.266 489 HB3 GLU 65 2HB GLU 65 -0.011 8.040 -6.892 490 HG2 GLU 65 1HG GLU 65 -0.053 10.127 -7.792 491 HG3 GLU 65 2HG GLU 65 1.282 10.784 -6.834 492 H PHE 66 H PHE 66 0.105 11.658 -4.523 493 HA PHE 66 HA PHE 66 -2.802 12.047 -4.996 494 HB2 PHE 66 1HB PHE 66 -0.897 13.538 -3.148 495 HB3 PHE 66 2HB PHE 66 -2.489 14.117 -3.585 496 HD1 PHE 66 1HD PHE 66 -0.704 11.380 -1.797 497 HD2 PHE 66 2HD PHE 66 -4.482 13.350 -2.507 498 HE1 PHE 66 1HE PHE 66 -1.705 10.180 0.106 499 HE2 PHE 66 2HE PHE 66 -5.450 12.210 -0.538 500 HZ PHE 66 HZ PHE 66 -4.066 10.597 0.771 501 H THR 67 H THR 67 -3.112 14.416 -5.704 502 HA THR 67 HA THR 67 -1.337 14.817 -8.008 503 HB THR 67 HB THR 67 -3.723 14.570 -8.242 504 HG1 THR 67 1HG THR 67 -2.350 16.182 -9.560 505 HG21 THR 67 3HG2 THR 67 -4.530 15.598 -6.183 506 HG22 THR 67 1HG2 THR 67 -5.296 16.352 -7.592 507 HG23 THR 67 2HG2 THR 67 -3.996 17.199 -6.737 508 H SER 68 H SER 68 -1.412 16.202 -4.789 509 HA SER 68 HA SER 68 0.714 17.866 -5.679 510 HB2 SER 68 1HB SER 68 -1.845 19.218 -4.746 511 HB3 SER 68 2HB SER 68 -0.252 19.987 -4.530 512 HG SER 68 HG SER 68 -0.983 18.917 -7.004 513 H VAL 69 H VAL 69 2.007 18.658 -4.038 514 HA VAL 69 HA VAL 69 2.359 16.864 -1.918 515 HB VAL 69 HB VAL 69 3.529 19.656 -2.167 516 HG11 VAL 69 1HG1 VAL 69 4.154 18.447 -0.071 517 HG12 VAL 69 2HG1 VAL 69 4.792 17.128 -1.042 518 HG13 VAL 69 3HG1 VAL 69 5.539 18.733 -1.120 519 HG21 VAL 69 3HG2 VAL 69 5.401 18.537 -3.467 520 HG22 VAL 69 1HG2 VAL 69 4.363 17.120 -3.633 521 HG23 VAL 69 2HG2 VAL 69 3.882 18.667 -4.341 522 H PHE 70 H PHE 70 0.564 19.847 -2.075 523 HA PHE 70 HA PHE 70 0.191 20.384 0.718 524 HB2 PHE 70 1HB PHE 70 -1.508 20.905 -1.758 525 HB3 PHE 70 2HB PHE 70 -1.959 21.447 -0.140 526 HD1 PHE 70 1HD PHE 70 -0.764 23.255 1.008 527 HD2 PHE 70 2HD PHE 70 0.400 21.980 -2.966 528 HE1 PHE 70 1HE PHE 70 0.589 25.308 0.723 529 HE2 PHE 70 2HE PHE 70 1.780 23.992 -3.199 530 HZ PHE 70 HZ PHE 70 1.900 25.661 -1.364 531 H ASP 71 H ASP 71 -1.922 18.621 -1.635 532 HA ASP 71 HA ASP 71 -3.867 17.670 0.121 533 HB2 ASP 71 1HB ASP 71 -2.726 16.414 -2.420 534 HB3 ASP 71 2HB ASP 71 -4.068 15.750 -1.545 535 H CYS 72 H CYS 72 -0.800 16.251 -0.773 536 HA CYS 72 HA CYS 72 -1.049 13.836 0.701 537 HB2 CYS 72 1HB CYS 72 0.577 14.184 -1.155 538 HB3 CYS 72 2HB CYS 72 1.484 15.335 -0.155 539 HG CYS 72 HG CYS 72 2.832 13.173 -0.266 540 H GLN 73 H GLN 73 0.606 16.944 1.562 541 HA GLN 73 HA GLN 73 1.451 16.206 4.136 542 HB2 GLN 73 1HB GLN 73 0.887 18.791 2.687 543 HB3 GLN 73 2HB GLN 73 1.102 18.867 4.414 544 HG2 GLN 73 1HG GLN 73 3.315 17.900 4.283 545 HG3 GLN 73 2HG GLN 73 3.132 17.565 2.552 546 HE21 GLN 73 1HE2 GLN 73 2.918 19.380 1.132 547 HE22 GLN 73 2HE2 GLN 73 3.662 20.937 1.488 548 H LYS 74 H LYS 74 -1.782 17.350 3.058 549 HA LYS 74 HA LYS 74 -2.713 17.615 5.800 550 HB2 LYS 74 1HB LYS 74 -4.520 17.324 3.387 551 HB3 LYS 74 2HB LYS 74 -4.783 18.184 4.900 552 HG2 LYS 74 1HG LYS 74 -2.626 19.573 3.849 553 HG3 LYS 74 2HG LYS 74 -3.470 18.998 2.394 554 HD2 LYS 74 1HD LYS 74 -5.573 20.070 3.338 555 HD3 LYS 74 2HD LYS 74 -4.545 20.818 4.581 556 HE2 LYS 74 1HE LYS 74 -3.177 21.915 2.884 557 HE3 LYS 74 2HE LYS 74 -3.966 21.012 1.592 558 HZ1 LYS 74 3HZ LYS 74 -5.982 22.222 1.993 559 HZ2 LYS 74 1HZ LYS 74 -4.759 23.265 1.736 560 HZ3 LYS 74 2HZ LYS 74 -5.302 23.042 3.269 561 H ALA 75 H ALA 75 -2.981 15.158 3.186 562 HA ALA 75 HA ALA 75 -4.735 13.382 4.486 563 HB1 ALA 75 1HB ALA 75 -4.123 13.218 2.094 564 HB2 ALA 75 2HB ALA 75 -2.469 12.747 2.539 565 HB3 ALA 75 3HB ALA 75 -3.832 11.686 2.948 566 H MET 76 H MET 76 -1.151 13.436 4.520 567 HA MET 76 HA MET 76 -0.502 11.293 6.127 568 HB2 MET 76 1HB MET 76 0.566 14.139 6.067 569 HB3 MET 76 2HB MET 76 1.269 12.938 7.125 570 HG2 MET 76 1HG MET 76 0.983 12.240 4.221 571 HG3 MET 76 2HG MET 76 2.112 13.478 4.662 572 HE1 MET 76 3HE MET 76 4.519 11.199 7.077 573 HE2 MET 76 1HE MET 76 3.809 12.833 7.010 574 HE3 MET 76 2HE MET 76 2.900 11.467 7.751 575 H GLN 77 H GLN 77 -1.015 14.573 7.472 576 HA GLN 77 HA GLN 77 -1.000 13.730 10.176 577 HB2 GLN 77 1HB GLN 77 -2.258 16.172 8.883 578 HB3 GLN 77 2HB GLN 77 -2.063 15.963 10.627 579 HG2 GLN 77 1HG GLN 77 0.209 16.101 8.609 580 HG3 GLN 77 2HG GLN 77 -0.323 17.419 9.636 581 HE21 GLN 77 1HE2 GLN 77 2.248 15.579 9.431 582 HE22 GLN 77 2HE2 GLN 77 2.565 15.273 11.126 583 H GLY 78 H GLY 78 -3.726 14.075 7.903 584 HA2 GLY 78 1HA GLY 78 -5.868 13.873 9.806 585 HA3 GLY 78 2HA GLY 78 -5.954 13.552 8.064 586 H LEU 79 H LEU 79 -3.983 11.472 7.985 587 HA LEU 79 HA LEU 79 -5.760 9.304 8.879 588 HB2 LEU 79 1HB LEU 79 -3.665 9.474 6.699 589 HB3 LEU 79 2HB LEU 79 -4.656 8.053 7.021 590 HG LEU 79 HG LEU 79 -5.854 10.779 6.345 591 HD11 LEU 79 1HD1 LEU 79 -5.853 10.417 4.147 592 HD12 LEU 79 2HD1 LEU 79 -5.915 8.659 4.286 593 HD13 LEU 79 3HD1 LEU 79 -4.367 9.531 4.500 594 HD21 LEU 79 3HD2 LEU 79 -7.834 9.290 5.654 595 HD22 LEU 79 1HD2 LEU 79 -7.520 9.422 7.392 596 HD23 LEU 79 2HD2 LEU 79 -7.034 7.979 6.475 597 H THR 80 H THR 80 -3.126 10.709 10.161 598 HA THR 80 HA THR 80 -1.278 8.641 10.519 599 HB THR 80 HB THR 80 -1.941 11.038 12.257 600 HG1 THR 80 1HG THR 80 -1.028 11.165 9.937 601 HG21 THR 80 3HG2 THR 80 0.369 10.851 13.141 602 HG22 THR 80 1HG2 THR 80 0.600 9.341 12.241 603 HG23 THR 80 2HG2 THR 80 -0.575 9.410 13.568 604 H GLY 81 H GLY 81 -1.758 6.642 11.428 605 HA2 GLY 81 1HA GLY 81 -2.302 5.164 13.126 606 HA3 GLY 81 2HA GLY 81 -2.824 6.517 14.134 607 H ARG 82 H ARG 82 -4.277 6.349 10.942 608 HA ARG 82 HA ARG 82 -6.873 5.425 11.891 609 HB2 ARG 82 1HB ARG 82 -5.588 6.055 9.224 610 HB3 ARG 82 2HB ARG 82 -7.119 5.257 9.265 611 HG2 ARG 82 1HG ARG 82 -6.515 7.975 10.449 612 HG3 ARG 82 2HG ARG 82 -7.382 7.647 8.940 613 HD2 ARG 82 1HD ARG 82 -8.287 7.003 11.750 614 HD3 ARG 82 2HD ARG 82 -8.943 8.241 10.676 615 HE ARG 82 HE ARG 82 -9.251 5.880 9.247 616 HH11 ARG 82 1HH1 ARG 82 -10.384 7.053 12.428 617 HH12 ARG 82 2HH1 ARG 82 -11.731 5.945 12.462 618 HH21 ARG 82 1HH2 ARG 82 -11.026 4.488 9.332 619 HH22 ARG 82 2HH2 ARG 82 -12.217 4.577 10.571 620 H LYS 83 H LYS 83 -7.751 3.506 10.198 621 HA LYS 83 HA LYS 83 -5.855 1.272 10.513 622 HB2 LYS 83 1HB LYS 83 -8.773 1.094 11.373 623 HB3 LYS 83 2HB LYS 83 -7.590 -0.217 11.308 624 HG2 LYS 83 1HG LYS 83 -6.199 1.190 12.989 625 HG3 LYS 83 2HG LYS 83 -7.662 2.170 13.175 626 HD2 LYS 83 1HD LYS 83 -8.588 -0.508 13.422 627 HD3 LYS 83 2HD LYS 83 -7.003 -0.511 14.196 628 HE2 LYS 83 1HE LYS 83 -8.419 0.039 15.952 629 HE3 LYS 83 2HE LYS 83 -7.818 1.621 15.442 630 HZ1 LYS 83 3HZ LYS 83 -10.117 1.709 15.781 631 HZ2 LYS 83 1HZ LYS 83 -10.431 0.417 14.783 632 HZ3 LYS 83 2HZ LYS 83 -9.922 1.872 14.175 633 H PHE 84 H PHE 84 -5.509 0.897 8.312 634 HA PHE 84 HA PHE 84 -7.752 1.583 6.463 635 HB2 PHE 84 1HB PHE 84 -4.785 1.175 6.197 636 HB3 PHE 84 2HB PHE 84 -5.804 1.090 4.768 637 HD1 PHE 84 1HD PHE 84 -6.511 3.643 7.424 638 HD2 PHE 84 2HD PHE 84 -4.662 2.774 3.627 639 HE1 PHE 84 1HE PHE 84 -6.163 6.039 7.023 640 HE2 PHE 84 2HE PHE 84 -4.455 5.177 3.167 641 HZ PHE 84 HZ PHE 84 -5.105 6.827 4.925 642 H ALA 85 H ALA 85 -7.409 -0.908 8.104 643 HA ALA 85 HA ALA 85 -9.013 -2.481 6.469 644 HB1 ALA 85 1HB ALA 85 -7.768 -4.666 6.619 645 HB2 ALA 85 2HB ALA 85 -7.094 -3.505 5.460 646 HB3 ALA 85 3HB ALA 85 -6.299 -3.761 7.022 647 H ASN 86 H ASN 86 -6.689 -3.199 9.091 648 HA ASN 86 HA ASN 86 -8.919 -3.042 11.073 649 HB2 ASN 86 1HB ASN 86 -8.426 -5.405 9.899 650 HB3 ASN 86 2HB ASN 86 -7.186 -5.505 11.125 651 HD21 ASN 86 1HD2 ASN 86 -10.135 -6.544 10.470 652 HD22 ASN 86 2HD2 ASN 86 -10.919 -6.559 12.033 653 H ARG 87 H ARG 87 -5.509 -2.675 10.385 654 HA ARG 87 HA ARG 87 -4.842 -2.561 13.296 655 HB2 ARG 87 1HB ARG 87 -3.180 -3.198 10.841 656 HB3 ARG 87 2HB ARG 87 -2.572 -3.219 12.507 657 HG2 ARG 87 1HG ARG 87 -4.204 -4.991 13.121 658 HG3 ARG 87 2HG ARG 87 -4.772 -5.017 11.453 659 HD2 ARG 87 1HD ARG 87 -3.320 -6.820 11.518 660 HD3 ARG 87 2HD ARG 87 -2.386 -5.530 10.749 661 HE ARG 87 HE ARG 87 -1.934 -5.626 13.606 662 HH11 ARG 87 1HH1 ARG 87 -1.229 -7.280 10.556 663 HH12 ARG 87 2HH1 ARG 87 0.201 -8.072 11.134 664 HH21 ARG 87 1HH2 ARG 87 0.019 -6.693 14.412 665 HH22 ARG 87 2HH2 ARG 87 1.103 -7.347 13.221 666 H VAL 88 H VAL 88 -2.779 -1.277 13.672 667 HA VAL 88 HA VAL 88 -3.479 1.442 13.076 668 HB VAL 88 HB VAL 88 -0.800 0.566 14.277 669 HG11 VAL 88 1HG1 VAL 88 -1.018 2.678 15.485 670 HG12 VAL 88 2HG1 VAL 88 -1.091 2.951 13.756 671 HG13 VAL 88 3HG1 VAL 88 -2.586 2.996 14.715 672 HG21 VAL 88 3HG2 VAL 88 -1.796 0.635 16.520 673 HG22 VAL 88 1HG2 VAL 88 -3.402 0.755 15.787 674 HG23 VAL 88 2HG2 VAL 88 -2.423 -0.713 15.568 675 H VAL 89 H VAL 89 -3.059 2.424 11.225 676 HA VAL 89 HA VAL 89 -0.985 1.655 9.367 677 HB VAL 89 HB VAL 89 -2.902 4.006 9.662 678 HG11 VAL 89 1HG1 VAL 89 -2.435 4.537 7.272 679 HG12 VAL 89 2HG1 VAL 89 -1.148 4.962 8.398 680 HG13 VAL 89 3HG1 VAL 89 -0.970 3.526 7.381 681 HG21 VAL 89 3HG2 VAL 89 -4.023 1.928 9.198 682 HG22 VAL 89 1HG2 VAL 89 -3.965 2.844 7.688 683 HG23 VAL 89 2HG2 VAL 89 -2.858 1.487 7.950 684 H VAL 90 H VAL 90 0.893 2.805 8.845 685 HA VAL 90 HA VAL 90 1.652 5.115 10.533 686 HB VAL 90 HB VAL 90 3.504 2.925 9.521 687 HG11 VAL 90 1HG1 VAL 90 4.626 5.081 9.235 688 HG12 VAL 90 2HG1 VAL 90 4.154 5.586 10.864 689 HG13 VAL 90 3HG1 VAL 90 5.310 4.260 10.636 690 HG21 VAL 90 3HG2 VAL 90 4.063 2.554 11.859 691 HG22 VAL 90 1HG2 VAL 90 2.975 3.868 12.366 692 HG23 VAL 90 2HG2 VAL 90 2.310 2.398 11.666 693 H THR 91 H THR 91 2.243 6.863 9.283 694 HA THR 91 HA THR 91 2.019 6.647 6.329 695 HB THR 91 HB THR 91 1.489 9.156 6.715 696 HG1 THR 91 1HG THR 91 1.972 9.242 8.924 697 HG21 THR 91 3HG2 THR 91 -0.534 7.053 7.608 698 HG22 THR 91 1HG2 THR 91 -0.298 7.697 5.964 699 HG23 THR 91 2HG2 THR 91 -0.926 8.743 7.236 700 H LYS 92 H LYS 92 3.903 7.271 5.181 701 HA LYS 92 HA LYS 92 5.375 9.489 6.348 702 HB2 LYS 92 1HB LYS 92 6.611 6.842 5.637 703 HB3 LYS 92 2HB LYS 92 7.501 8.268 5.126 704 HG2 LYS 92 1HG LYS 92 6.578 7.763 7.968 705 HG3 LYS 92 2HG LYS 92 8.158 7.374 7.340 706 HD2 LYS 92 1HD LYS 92 8.687 9.696 6.874 707 HD3 LYS 92 2HD LYS 92 7.053 10.226 7.269 708 HE2 LYS 92 1HE LYS 92 7.372 9.544 9.630 709 HE3 LYS 92 2HE LYS 92 9.034 9.079 9.259 710 HZ1 LYS 92 3HZ LYS 92 7.991 11.683 9.745 711 HZ2 LYS 92 1HZ LYS 92 8.841 11.625 8.318 712 HZ3 LYS 92 2HZ LYS 92 9.522 11.185 9.749 713 H TYR 93 H TYR 93 6.889 10.428 4.569 714 HA TYR 93 HA TYR 93 5.332 10.728 2.079 715 HB2 TYR 93 1HB TYR 93 7.872 12.054 3.131 716 HB3 TYR 93 2HB TYR 93 7.047 12.462 1.626 717 HD1 TYR 93 1HD TYR 93 4.590 13.255 1.764 718 HD2 TYR 93 2HD TYR 93 7.225 13.111 5.184 719 HE1 TYR 93 1HE TYR 93 3.122 14.826 2.955 720 HE2 TYR 93 2HE TYR 93 5.709 14.659 6.416 721 HH TYR 93 HH TYR 93 3.605 15.786 6.394 722 H CYS 94 H CYS 94 6.311 10.079 0.088 723 HA CYS 94 HA CYS 94 8.665 8.282 0.304 724 HB2 CYS 94 1HB CYS 94 6.000 7.461 -0.198 725 HB3 CYS 94 2HB CYS 94 6.764 7.469 -1.787 726 HG CYS 94 HG CYS 94 8.177 5.624 -1.556 727 H ASP 95 H ASP 95 8.772 7.773 -2.597 728 HA ASP 95 HA ASP 95 9.385 10.538 -3.526 729 HB2 ASP 95 1HB ASP 95 10.830 8.526 -5.038 730 HB3 ASP 95 2HB ASP 95 11.372 10.016 -4.323 731 HA PRO 96 HA PRO 96 6.440 9.204 -6.646 732 HB2 PRO 96 1HB PRO 96 6.639 11.254 -8.450 733 HB3 PRO 96 2HB PRO 96 5.813 11.411 -6.880 734 HG2 PRO 96 1HG PRO 96 8.609 12.253 -7.613 735 HG3 PRO 96 2HG PRO 96 7.418 13.146 -6.657 736 HD2 PRO 96 1HD PRO 96 9.474 11.691 -5.559 737 HD3 PRO 96 2HD PRO 96 7.892 11.886 -4.742 738 H ASP 97 H ASP 97 9.817 10.010 -7.517 739 HA ASP 97 HA ASP 97 9.728 9.126 -10.189 740 HB2 ASP 97 1HB ASP 97 11.766 10.059 -8.645 741 HB3 ASP 97 2HB ASP 97 12.169 8.318 -8.665 742 H SER 98 H SER 98 10.531 7.305 -7.239 743 HA SER 98 HA SER 98 10.819 4.784 -8.447 744 HB2 SER 98 1HB SER 98 10.760 4.100 -5.960 745 HB3 SER 98 2HB SER 98 11.986 5.294 -6.419 746 HG SER 98 HG SER 98 11.014 6.178 -4.640 747 H TYR 99 H TYR 99 8.055 6.672 -7.937 748 HA TYR 99 HA TYR 99 6.195 4.551 -7.165 749 HB2 TYR 99 1HB TYR 99 6.052 6.932 -6.265 750 HB3 TYR 99 2HB TYR 99 5.554 7.439 -7.880 751 HD1 TYR 99 1HD TYR 99 3.428 6.537 -8.921 752 HD2 TYR 99 2HD TYR 99 4.463 6.103 -4.760 753 HE1 TYR 99 1HE TYR 99 1.135 5.830 -8.452 754 HE2 TYR 99 2HE TYR 99 2.141 5.490 -4.282 755 HH TYR 99 HH TYR 99 0.194 4.709 -5.137 756 H HIS 100 H HIS 100 6.835 6.719 -9.896 757 HA HIS 100 HA HIS 100 4.782 5.723 -11.615 758 HB2 HIS 100 1HB HIS 100 7.520 6.746 -12.470 759 HB3 HIS 100 2HB HIS 100 6.017 6.831 -13.367 760 HD1 HIS 100 1HD HIS 100 8.241 9.002 -11.912 761 HD2 HIS 100 2HD HIS 100 4.122 8.361 -11.209 762 HE1 HIS 100 1HE HIS 100 7.321 11.162 -10.950 763 H ARG 101 H ARG 101 8.128 4.849 -11.076 764 HA ARG 101 HA ARG 101 8.214 2.649 -13.028 765 HB2 ARG 101 1HB ARG 101 10.157 3.876 -10.987 766 HB3 ARG 101 2HB ARG 101 10.572 2.427 -11.887 767 HG2 ARG 101 1HG ARG 101 9.785 5.029 -13.279 768 HG3 ARG 101 2HG ARG 101 11.449 4.617 -12.846 769 HD2 ARG 101 1HD ARG 101 11.369 2.576 -14.154 770 HD3 ARG 101 2HD ARG 101 9.676 2.834 -14.551 771 HE ARG 101 HE ARG 101 10.361 4.913 -15.725 772 HH11 ARG 101 1HH1 ARG 101 12.980 2.573 -15.259 773 HH12 ARG 101 2HH1 ARG 101 13.556 2.663 -16.883 774 HH21 ARG 101 1HH2 ARG 101 10.984 4.941 -17.863 775 HH22 ARG 101 2HH2 ARG 101 12.287 3.989 -18.490 776 H ARG 102 H ARG 102 9.231 0.614 -12.047 777 HA ARG 102 HA ARG 102 7.976 -0.126 -9.479 778 HB2 ARG 102 1HB ARG 102 7.191 -1.478 -11.514 779 HB3 ARG 102 2HB ARG 102 8.837 -2.110 -11.637 780 HG2 ARG 102 1HG ARG 102 8.631 -2.738 -9.142 781 HG3 ARG 102 2HG ARG 102 6.892 -2.443 -9.413 782 HD2 ARG 102 1HD ARG 102 7.339 -4.727 -9.752 783 HD3 ARG 102 2HD ARG 102 6.877 -3.981 -11.273 784 HE ARG 102 HE ARG 102 9.773 -4.142 -10.822 785 HH11 ARG 102 1HH1 ARG 102 6.997 -6.093 -11.864 786 HH12 ARG 102 2HH1 ARG 102 7.975 -7.220 -12.769 787 HH21 ARG 102 1HH2 ARG 102 11.021 -5.580 -11.887 788 HH22 ARG 102 2HH2 ARG 102 10.389 -6.917 -12.805 789 H ASP 103 H ASP 103 9.730 1.245 -8.794 790 HA ASP 103 HA ASP 103 12.311 -0.243 -8.685 791 HB2 ASP 103 1HB ASP 103 12.410 1.882 -10.118 792 HB3 ASP 103 2HB ASP 103 12.129 2.780 -8.650 793 H PHE 104 H PHE 104 10.943 -1.161 -6.931 794 HA PHE 104 HA PHE 104 10.485 0.536 -4.588 795 HB2 PHE 104 1HB PHE 104 9.747 -2.381 -4.921 796 HB3 PHE 104 2HB PHE 104 9.091 -1.211 -3.779 797 HD1 PHE 104 1HD PHE 104 8.756 1.134 -5.912 798 HD2 PHE 104 2HD PHE 104 7.555 -3.014 -5.755 799 HE1 PHE 104 1HE PHE 104 6.967 1.587 -7.539 800 HE2 PHE 104 2HE PHE 104 5.731 -2.509 -7.410 801 HZ PHE 104 HZ PHE 104 5.496 -0.215 -8.322 802 H TRP 105 H TRP 105 10.722 -1.592 -2.676 803 HA TRP 105 HA TRP 105 11.930 -2.249 -1.051 804 HB2 TRP 105 1HB TRP 105 12.946 -3.491 -3.102 805 HB3 TRP 105 2HB TRP 105 14.235 -2.370 -2.897 806 HD1 TRP 105 HD TRP 105 12.118 -4.691 -0.750 807 HE1 TRP 105 1HE TRP 105 13.449 -6.205 0.723 808 HE3 TRP 105 3HE TRP 105 16.729 -2.869 -1.888 809 HZ2 TRP 105 2HZ TRP 105 16.256 -6.407 1.585 810 HZ3 TRP 105 3HZ TRP 105 18.740 -3.758 -0.739 811 HH2 TRP 105 HH TRP 105 18.504 -5.505 1.029 Start of MODEL 17 1 H1 GLY 1 H GLY 1 12.301 11.395 7.019 2 HA2 GLY 1 1HA GLY 1 13.452 10.401 5.102 3 HA3 GLY 1 2HA GLY 1 12.051 10.870 4.121 4 H GLY 2 H GLY 2 13.239 12.186 2.719 5 HA2 GLY 2 1HA GLY 2 14.616 14.595 3.736 6 HA3 GLY 2 2HA GLY 2 14.365 14.122 2.052 7 H HIS 3 H HIS 3 13.011 15.465 1.010 8 HA HIS 3 HA HIS 3 11.385 17.448 2.262 9 HB2 HIS 3 1HB HIS 3 10.662 17.832 -0.138 10 HB3 HIS 3 2HB HIS 3 12.379 17.918 0.184 11 HD1 HIS 3 1HD HIS 3 13.954 16.031 -0.937 12 HD2 HIS 3 2HD HIS 3 9.914 16.268 -2.084 13 HE1 HIS 3 1HE HIS 3 13.752 14.694 -3.065 14 HA PRO 4 HA PRO 4 7.329 15.306 1.943 15 HB2 PRO 4 1HB PRO 4 5.682 17.364 1.210 16 HB3 PRO 4 2HB PRO 4 6.213 17.098 2.871 17 HG2 PRO 4 1HG PRO 4 7.329 19.043 0.838 18 HG3 PRO 4 2HG PRO 4 7.033 19.318 2.573 19 HD2 PRO 4 1HD PRO 4 9.495 18.738 1.490 20 HD3 PRO 4 2HD PRO 4 9.047 18.299 3.151 21 H THR 5 H THR 5 6.795 14.160 0.193 22 HA THR 5 HA THR 5 7.175 15.258 -2.540 23 HB THR 5 HB THR 5 7.213 12.846 -3.251 24 HG1 THR 5 1HG THR 5 7.792 11.493 -1.245 25 HG21 THR 5 3HG2 THR 5 9.361 13.618 -1.213 26 HG22 THR 5 1HG2 THR 5 9.312 13.995 -2.956 27 HG23 THR 5 2HG2 THR 5 9.490 12.333 -2.419 28 H GLU 6 H GLU 6 5.441 14.086 -4.015 29 HA GLU 6 HA GLU 6 2.842 14.735 -2.880 30 HB2 GLU 6 1HB GLU 6 3.597 13.791 -5.679 31 HB3 GLU 6 2HB GLU 6 2.048 14.534 -5.168 32 HG2 GLU 6 1HG GLU 6 3.495 16.449 -4.284 33 HG3 GLU 6 2HG GLU 6 4.819 15.812 -5.257 34 H VAL 7 H VAL 7 4.636 11.949 -2.370 35 HA VAL 7 HA VAL 7 2.241 10.249 -2.621 36 HB VAL 7 HB VAL 7 3.531 8.514 -3.340 37 HG11 VAL 7 1HG1 VAL 7 4.590 9.117 -5.393 38 HG12 VAL 7 2HG1 VAL 7 3.340 10.333 -5.101 39 HG13 VAL 7 3HG1 VAL 7 5.031 10.713 -4.763 40 HG21 VAL 7 3HG2 VAL 7 6.033 9.690 -2.382 41 HG22 VAL 7 1HG2 VAL 7 5.078 8.221 -1.906 42 HG23 VAL 7 2HG2 VAL 7 5.868 8.273 -3.478 43 H LEU 8 H LEU 8 2.110 8.592 -1.067 44 HA LEU 8 HA LEU 8 3.336 9.213 1.574 45 HB2 LEU 8 1HB LEU 8 1.272 10.382 1.407 46 HB3 LEU 8 2HB LEU 8 0.478 9.037 0.621 47 HG LEU 8 HG LEU 8 0.478 7.743 2.716 48 HD11 LEU 8 1HD1 LEU 8 1.062 9.282 4.792 49 HD12 LEU 8 2HD1 LEU 8 2.175 10.057 3.639 50 HD13 LEU 8 3HD1 LEU 8 2.303 8.318 3.994 51 HD21 LEU 8 3HD2 LEU 8 -0.582 10.591 3.015 52 HD22 LEU 8 1HD2 LEU 8 -1.120 9.166 3.946 53 HD23 LEU 8 2HD2 LEU 8 -1.404 9.239 2.209 54 H CYS 9 H CYS 9 4.093 7.410 2.489 55 HA CYS 9 HA CYS 9 3.510 4.750 1.343 56 HB2 CYS 9 1HB CYS 9 5.108 4.903 3.845 57 HB3 CYS 9 2HB CYS 9 5.343 3.950 2.382 58 HG CYS 9 HG CYS 9 5.927 7.174 2.727 59 H LEU 10 H LEU 10 2.290 3.317 2.315 60 HA LEU 10 HA LEU 10 0.842 3.893 4.840 61 HB2 LEU 10 1HB LEU 10 -0.095 2.670 2.212 62 HB3 LEU 10 2HB LEU 10 -1.051 2.783 3.687 63 HG LEU 10 HG LEU 10 -0.030 5.160 2.095 64 HD11 LEU 10 1HD1 LEU 10 -2.505 5.336 1.557 65 HD12 LEU 10 2HD1 LEU 10 -2.719 3.734 2.280 66 HD13 LEU 10 3HD1 LEU 10 -1.678 3.937 0.855 67 HD21 LEU 10 3HD2 LEU 10 -0.301 5.712 4.485 68 HD22 LEU 10 1HD2 LEU 10 -1.946 5.023 4.465 69 HD23 LEU 10 2HD2 LEU 10 -1.545 6.462 3.502 70 H MET 11 H MET 11 1.996 2.588 6.160 71 HA MET 11 HA MET 11 2.604 -0.218 5.334 72 HB2 MET 11 1HB MET 11 3.374 1.581 7.630 73 HB3 MET 11 2HB MET 11 3.799 -0.124 7.600 74 HG2 MET 11 1HG MET 11 5.288 0.129 5.813 75 HG3 MET 11 2HG MET 11 4.539 1.613 5.243 76 HE1 MET 11 3HE MET 11 4.755 3.889 6.153 77 HE2 MET 11 1HE MET 11 4.448 3.555 7.875 78 HE3 MET 11 2HE MET 11 5.902 4.436 7.395 79 H ASN 12 H ASN 12 1.882 -1.929 6.655 80 HA ASN 12 HA ASN 12 0.708 -3.158 8.107 81 HB2 ASN 12 1HB ASN 12 -0.227 -0.665 9.416 82 HB3 ASN 12 2HB ASN 12 -0.200 -2.276 10.125 83 HD21 ASN 12 1HD2 ASN 12 0.658 -0.372 11.600 84 HD22 ASN 12 2HD2 ASN 12 2.405 -0.398 11.837 85 H MET 13 H MET 13 -0.630 -2.037 5.640 86 HA MET 13 HA MET 13 -3.502 -2.457 6.320 87 HB2 MET 13 1HB MET 13 -1.939 -1.628 3.893 88 HB3 MET 13 2HB MET 13 -3.372 -2.629 3.626 89 HG2 MET 13 1HG MET 13 -4.544 -0.821 3.555 90 HG3 MET 13 2HG MET 13 -4.324 -0.683 5.293 91 HE1 MET 13 3HE MET 13 -2.335 0.395 6.289 92 HE2 MET 13 1HE MET 13 -0.940 0.276 5.203 93 HE3 MET 13 2HE MET 13 -1.541 1.875 5.709 94 H VAL 14 H VAL 14 -1.517 -3.872 3.758 95 HA VAL 14 HA VAL 14 -2.862 -6.381 4.299 96 HB VAL 14 HB VAL 14 -2.123 -6.805 1.889 97 HG11 VAL 14 1HG1 VAL 14 -3.842 -4.329 2.371 98 HG12 VAL 14 2HG1 VAL 14 -3.850 -5.367 0.943 99 HG13 VAL 14 3HG1 VAL 14 -4.381 -6.003 2.499 100 HG21 VAL 14 3HG2 VAL 14 -1.409 -4.887 0.546 101 HG22 VAL 14 1HG2 VAL 14 -1.354 -3.849 1.963 102 HG23 VAL 14 2HG2 VAL 14 -0.211 -5.202 1.815 103 H LEU 15 H LEU 15 -1.848 -8.435 3.873 104 HA LEU 15 HA LEU 15 0.986 -8.579 4.753 105 HB2 LEU 15 1HB LEU 15 -1.250 -10.651 4.644 106 HB3 LEU 15 2HB LEU 15 0.381 -10.952 5.179 107 HG LEU 15 HG LEU 15 -0.794 -10.811 7.117 108 HD11 LEU 15 1HD1 LEU 15 1.255 -9.471 7.233 109 HD12 LEU 15 2HD1 LEU 15 0.027 -8.934 8.377 110 HD13 LEU 15 3HD1 LEU 15 0.302 -7.992 6.903 111 HD21 LEU 15 3HD2 LEU 15 -2.137 -8.219 6.316 112 HD22 LEU 15 1HD2 LEU 15 -2.342 -9.141 7.808 113 HD23 LEU 15 2HD2 LEU 15 -2.862 -9.841 6.267 114 HA PRO 16 HA PRO 16 2.232 -10.141 0.732 115 HB2 PRO 16 1HB PRO 16 4.191 -11.968 1.355 116 HB3 PRO 16 2HB PRO 16 4.413 -10.203 1.532 117 HG2 PRO 16 1HG PRO 16 3.617 -12.193 3.678 118 HG3 PRO 16 2HG PRO 16 4.901 -10.940 3.741 119 HD2 PRO 16 1HD PRO 16 2.447 -10.478 4.806 120 HD3 PRO 16 2HD PRO 16 3.328 -9.190 3.933 121 H GLU 17 H GLU 17 0.420 -11.928 2.906 122 HA GLU 17 HA GLU 17 0.399 -14.430 1.338 123 HB2 GLU 17 1HB GLU 17 -0.227 -15.429 3.601 124 HB3 GLU 17 2HB GLU 17 1.442 -14.947 3.304 125 HG2 GLU 17 1HG GLU 17 1.165 -12.904 4.606 126 HG3 GLU 17 2HG GLU 17 -0.547 -13.265 4.867 127 H GLU 18 H GLU 18 -1.440 -11.694 1.787 128 HA GLU 18 HA GLU 18 -3.944 -13.260 1.366 129 HB2 GLU 18 1HB GLU 18 -5.167 -11.256 1.824 130 HB3 GLU 18 2HB GLU 18 -4.119 -11.678 3.188 131 HG2 GLU 18 1HG GLU 18 -2.497 -9.947 2.403 132 HG3 GLU 18 2HG GLU 18 -3.608 -9.524 1.092 133 H LEU 19 H LEU 19 -1.685 -11.140 -0.098 134 HA LEU 19 HA LEU 19 -3.387 -9.916 -2.020 135 HB2 LEU 19 1HB LEU 19 -0.388 -10.036 -1.648 136 HB3 LEU 19 2HB LEU 19 -1.144 -9.036 -2.893 137 HG LEU 19 HG LEU 19 -1.763 -8.732 0.058 138 HD11 LEU 19 1HD1 LEU 19 0.635 -8.302 -0.477 139 HD12 LEU 19 2HD1 LEU 19 -0.223 -6.850 0.016 140 HD13 LEU 19 3HD1 LEU 19 0.116 -7.121 -1.704 141 HD21 LEU 19 3HD2 LEU 19 -2.608 -6.495 -0.713 142 HD22 LEU 19 1HD2 LEU 19 -3.536 -7.823 -1.382 143 HD23 LEU 19 2HD2 LEU 19 -2.339 -6.990 -2.392 144 H LEU 20 H LEU 20 -3.813 -12.557 -2.535 145 HA LEU 20 HA LEU 20 -2.442 -13.216 -5.074 146 HB2 LEU 20 1HB LEU 20 -3.641 -14.940 -2.899 147 HB3 LEU 20 2HB LEU 20 -2.844 -15.535 -4.344 148 HG LEU 20 HG LEU 20 -1.106 -13.605 -2.923 149 HD11 LEU 20 1HD1 LEU 20 -2.354 -14.423 -0.931 150 HD12 LEU 20 2HD1 LEU 20 -0.639 -14.834 -0.929 151 HD13 LEU 20 3HD1 LEU 20 -1.839 -16.065 -1.365 152 HD21 LEU 20 3HD2 LEU 20 -0.768 -16.504 -3.636 153 HD22 LEU 20 1HD2 LEU 20 0.511 -15.354 -3.156 154 HD23 LEU 20 2HD2 LEU 20 -0.395 -15.092 -4.657 155 H ASP 21 H ASP 21 -5.492 -12.236 -3.845 156 HA ASP 21 HA ASP 21 -6.861 -13.517 -6.143 157 HB2 ASP 21 1HB ASP 21 -7.619 -13.675 -3.313 158 HB3 ASP 21 2HB ASP 21 -8.919 -13.090 -4.363 159 H ASP 22 H ASP 22 -7.700 -12.182 -7.509 160 HA ASP 22 HA ASP 22 -7.074 -9.434 -7.346 161 HB2 ASP 22 1HB ASP 22 -7.365 -11.119 -9.359 162 HB3 ASP 22 2HB ASP 22 -9.041 -10.572 -9.354 163 H GLU 23 H GLU 23 -9.809 -11.066 -6.156 164 HA GLU 23 HA GLU 23 -11.847 -9.063 -6.739 165 HB2 GLU 23 1HB GLU 23 -11.837 -11.608 -5.046 166 HB3 GLU 23 2HB GLU 23 -13.265 -10.571 -5.289 167 HG2 GLU 23 1HG GLU 23 -13.126 -10.885 -7.716 168 HG3 GLU 23 2HG GLU 23 -11.640 -11.827 -7.546 169 H GLU 24 H GLU 24 -10.514 -10.392 -3.671 170 HA GLU 24 HA GLU 24 -11.393 -8.361 -1.919 171 HB2 GLU 24 1HB GLU 24 -10.754 -10.419 -0.992 172 HB3 GLU 24 2HB GLU 24 -9.305 -10.562 -2.013 173 HG2 GLU 24 1HG GLU 24 -8.113 -8.938 -0.733 174 HG3 GLU 24 2HG GLU 24 -9.547 -8.565 0.258 175 H TYR 25 H TYR 25 -8.573 -8.663 -4.029 176 HA TYR 25 HA TYR 25 -6.967 -6.621 -2.999 177 HB2 TYR 25 1HB TYR 25 -6.226 -8.240 -4.646 178 HB3 TYR 25 2HB TYR 25 -7.376 -7.635 -5.825 179 HD1 TYR 25 2HD TYR 25 -4.141 -7.002 -4.147 180 HD2 TYR 25 1HD TYR 25 -7.025 -5.589 -7.042 181 HE1 TYR 25 2HE TYR 25 -2.467 -5.400 -5.066 182 HE2 TYR 25 1HE TYR 25 -5.395 -4.007 -7.948 183 HH TYR 25 HH TYR 25 -3.266 -3.077 -7.681 184 H GLU 26 H GLU 26 -9.842 -6.330 -5.134 185 HA GLU 26 HA GLU 26 -9.289 -3.514 -5.728 186 HB2 GLU 26 1HB GLU 26 -11.019 -5.659 -6.736 187 HB3 GLU 26 2HB GLU 26 -11.923 -4.207 -6.488 188 HG2 GLU 26 1HG GLU 26 -9.301 -4.333 -8.035 189 HG3 GLU 26 2HG GLU 26 -10.885 -4.529 -8.788 190 H GLU 27 H GLU 27 -11.395 -5.456 -3.626 191 HA GLU 27 HA GLU 27 -13.129 -3.395 -2.743 192 HB2 GLU 27 1HB GLU 27 -12.065 -5.698 -1.034 193 HB3 GLU 27 2HB GLU 27 -13.518 -4.739 -0.726 194 HG2 GLU 27 1HG GLU 27 -14.489 -5.634 -2.877 195 HG3 GLU 27 2HG GLU 27 -13.062 -6.661 -3.036 196 H ILE 28 H ILE 28 -9.997 -4.442 -1.512 197 HA ILE 28 HA ILE 28 -9.785 -2.626 0.654 198 HB ILE 28 HB ILE 28 -7.712 -4.067 -1.032 199 HG12 ILE 28 1HG1 ILE 28 -8.684 -4.774 1.768 200 HG13 ILE 28 2HG1 ILE 28 -9.419 -5.450 0.331 201 HG21 ILE 28 1HG2 ILE 28 -6.220 -3.670 1.052 202 HG22 ILE 28 2HG2 ILE 28 -6.535 -2.281 0.018 203 HG23 ILE 28 3HG2 ILE 28 -7.445 -2.466 1.532 204 HD11 ILE 28 3HD1 ILE 28 -7.241 -6.430 -0.358 205 HD12 ILE 28 1HD1 ILE 28 -6.517 -5.847 1.157 206 HD13 ILE 28 2HD1 ILE 28 -7.822 -7.027 1.206 207 H VAL 29 H VAL 29 -9.165 -2.168 -2.813 208 HA VAL 29 HA VAL 29 -7.669 0.330 -2.444 209 HB VAL 29 HB VAL 29 -8.906 -1.068 -4.849 210 HG11 VAL 29 1HG1 VAL 29 -8.863 1.358 -5.335 211 HG12 VAL 29 2HG1 VAL 29 -7.149 1.424 -4.867 212 HG13 VAL 29 3HG1 VAL 29 -7.659 0.486 -6.287 213 HG21 VAL 29 3HG2 VAL 29 -6.589 -1.591 -5.431 214 HG22 VAL 29 1HG2 VAL 29 -5.975 -0.563 -4.121 215 HG23 VAL 29 2HG2 VAL 29 -6.822 -2.070 -3.751 216 H GLU 30 H GLU 30 -11.048 -0.642 -3.289 217 HA GLU 30 HA GLU 30 -11.937 2.006 -3.821 218 HB2 GLU 30 1HB GLU 30 -13.418 -0.510 -3.007 219 HB3 GLU 30 2HB GLU 30 -14.219 0.970 -3.522 220 HG2 GLU 30 1HG GLU 30 -12.180 -0.418 -5.298 221 HG3 GLU 30 2HG GLU 30 -13.858 -0.891 -5.248 222 H ASP 31 H ASP 31 -11.963 0.056 -0.849 223 HA ASP 31 HA ASP 31 -13.542 1.782 0.774 224 HB2 ASP 31 1HB ASP 31 -12.568 -0.651 1.242 225 HB3 ASP 31 2HB ASP 31 -11.184 0.196 1.868 226 H VAL 32 H VAL 32 -10.165 1.830 -0.014 227 HA VAL 32 HA VAL 32 -9.493 3.993 1.878 228 HB VAL 32 HB VAL 32 -7.923 2.253 -0.072 229 HG11 VAL 32 1HG1 VAL 32 -5.881 3.165 1.089 230 HG12 VAL 32 2HG1 VAL 32 -6.703 4.301 0.023 231 HG13 VAL 32 3HG1 VAL 32 -6.936 4.429 1.798 232 HG21 VAL 32 3HG2 VAL 32 -6.992 1.295 2.055 233 HG22 VAL 32 1HG2 VAL 32 -8.064 2.355 2.990 234 HG23 VAL 32 2HG2 VAL 32 -8.736 1.084 1.950 235 H ARG 33 H ARG 33 -10.139 3.497 -1.590 236 HA ARG 33 HA ARG 33 -9.314 6.070 -2.432 237 HB2 ARG 33 1HB ARG 33 -9.991 4.283 -4.028 238 HB3 ARG 33 2HB ARG 33 -11.683 4.501 -3.524 239 HG2 ARG 33 1HG ARG 33 -11.917 6.288 -4.919 240 HG3 ARG 33 2HG ARG 33 -10.556 7.100 -4.172 241 HD2 ARG 33 1HD ARG 33 -9.849 7.009 -6.340 242 HD3 ARG 33 2HD ARG 33 -9.062 5.592 -5.602 243 HE ARG 33 HE ARG 33 -11.662 5.323 -7.051 244 HH11 ARG 33 1HH1 ARG 33 -8.140 4.654 -7.136 245 HH12 ARG 33 2HH1 ARG 33 -8.351 3.328 -8.243 246 HH21 ARG 33 1HH2 ARG 33 -11.856 3.636 -8.433 247 HH22 ARG 33 2HH2 ARG 33 -10.533 2.573 -8.666 248 H ASP 34 H ASP 34 -12.432 4.927 -1.064 249 HA ASP 34 HA ASP 34 -13.799 7.384 -1.160 250 HB2 ASP 34 1HB ASP 34 -14.642 5.024 -0.368 251 HB3 ASP 34 2HB ASP 34 -14.006 5.451 1.184 252 H GLU 35 H GLU 35 -11.658 6.084 1.343 253 HA GLU 35 HA GLU 35 -12.355 8.086 3.159 254 HB2 GLU 35 1HB GLU 35 -11.085 7.169 4.724 255 HB3 GLU 35 2HB GLU 35 -11.578 5.808 3.719 256 HG2 GLU 35 1HG GLU 35 -9.480 5.282 4.020 257 HG3 GLU 35 2HG GLU 35 -9.093 6.324 2.656 258 H CYS 36 H CYS 36 -9.438 7.696 1.130 259 HA CYS 36 HA CYS 36 -8.212 9.874 2.531 260 HB2 CYS 36 1HB CYS 36 -7.132 7.838 1.400 261 HB3 CYS 36 2HB CYS 36 -7.102 8.891 -0.065 262 HG CYS 36 HG CYS 36 -6.140 9.493 3.018 263 H SER 37 H SER 37 -10.414 9.766 -0.168 264 HA SER 37 HA SER 37 -9.556 12.171 -1.524 265 HB2 SER 37 1HB SER 37 -11.903 10.302 -1.593 266 HB3 SER 37 2HB SER 37 -12.146 11.977 -2.124 267 HG SER 37 HG SER 37 -10.827 11.786 -3.717 268 H LYS 38 H LYS 38 -11.073 11.482 1.540 269 HA LYS 38 HA LYS 38 -12.573 13.912 1.806 270 HB2 LYS 38 1HB LYS 38 -11.192 12.264 3.967 271 HB3 LYS 38 2HB LYS 38 -12.520 13.402 4.195 272 HG2 LYS 38 1HG LYS 38 -13.994 11.950 2.827 273 HG3 LYS 38 2HG LYS 38 -12.729 10.842 2.517 274 HD2 LYS 38 1HD LYS 38 -12.522 10.292 4.908 275 HD3 LYS 38 2HD LYS 38 -13.841 11.434 5.288 276 HE2 LYS 38 1HE LYS 38 -15.374 10.158 3.831 277 HE3 LYS 38 2HE LYS 38 -14.076 9.061 3.360 278 HZ1 LYS 38 3HZ LYS 38 -13.992 8.277 5.641 279 HZ2 LYS 38 1HZ LYS 38 -15.483 8.143 5.053 280 HZ3 LYS 38 2HZ LYS 38 -15.165 9.381 6.092 281 H TYR 39 H TYR 39 -9.166 13.422 1.500 282 HA TYR 39 HA TYR 39 -8.531 15.979 2.888 283 HB2 TYR 39 1HB TYR 39 -6.819 13.514 2.473 284 HB3 TYR 39 2HB TYR 39 -6.361 14.958 3.360 285 HD1 TYR 39 1HD TYR 39 -8.506 11.931 3.373 286 HD2 TYR 39 2HD TYR 39 -7.125 15.314 5.680 287 HE1 TYR 39 1HE TYR 39 -9.492 10.942 5.375 288 HE2 TYR 39 2HE TYR 39 -8.072 14.300 7.719 289 HH TYR 39 HH TYR 39 -9.879 12.730 8.345 290 H GLY 40 H GLY 40 -8.871 14.826 -0.293 291 HA2 GLY 40 1HA GLY 40 -7.662 16.897 -1.648 292 HA3 GLY 40 2HA GLY 40 -6.347 15.762 -1.371 293 H LEU 41 H LEU 41 -6.202 15.505 -3.617 294 HA LEU 41 HA LEU 41 -8.190 13.605 -4.757 295 HB2 LEU 41 1HB LEU 41 -7.992 15.866 -5.721 296 HB3 LEU 41 2HB LEU 41 -6.360 15.589 -6.100 297 HG LEU 41 HG LEU 41 -7.695 15.374 -8.067 298 HD11 LEU 41 1HD1 LEU 41 -5.757 13.772 -7.777 299 HD12 LEU 41 2HD1 LEU 41 -6.957 13.362 -9.014 300 HD13 LEU 41 3HD1 LEU 41 -6.974 12.519 -7.457 301 HD21 LEU 41 3HD2 LEU 41 -9.845 14.762 -7.122 302 HD22 LEU 41 1HD2 LEU 41 -9.248 13.122 -6.767 303 HD23 LEU 41 2HD2 LEU 41 -9.392 13.691 -8.444 304 H VAL 42 H VAL 42 -7.431 11.686 -4.699 305 HA VAL 42 HA VAL 42 -4.554 11.050 -4.509 306 HB VAL 42 HB VAL 42 -7.068 9.388 -4.295 307 HG11 VAL 42 1HG1 VAL 42 -5.622 7.503 -3.615 308 HG12 VAL 42 2HG1 VAL 42 -5.391 7.950 -5.307 309 HG13 VAL 42 3HG1 VAL 42 -4.196 8.446 -4.097 310 HG21 VAL 42 3HG2 VAL 42 -4.965 10.323 -2.302 311 HG22 VAL 42 1HG2 VAL 42 -6.711 10.720 -2.315 312 HG23 VAL 42 2HG2 VAL 42 -6.165 9.086 -1.936 313 H LYS 43 H LYS 43 -3.489 10.947 -6.290 314 HA LYS 43 HA LYS 43 -4.383 10.601 -8.988 315 HB2 LYS 43 1HB LYS 43 -2.155 11.541 -8.059 316 HB3 LYS 43 2HB LYS 43 -1.693 9.866 -7.769 317 HG2 LYS 43 1HG LYS 43 -0.943 9.676 -9.872 318 HG3 LYS 43 2HG LYS 43 -2.562 9.989 -10.471 319 HD2 LYS 43 1HD LYS 43 -1.119 11.578 -11.514 320 HD3 LYS 43 2HD LYS 43 -2.131 12.443 -10.360 321 HE2 LYS 43 1HE LYS 43 0.034 13.363 -10.174 322 HE3 LYS 43 2HE LYS 43 -0.163 12.389 -8.739 323 HZ1 LYS 43 3HZ LYS 43 1.414 11.611 -11.175 324 HZ2 LYS 43 1HZ LYS 43 1.242 10.724 -9.802 325 HZ3 LYS 43 2HZ LYS 43 1.974 12.121 -9.697 326 H SER 44 H SER 44 -2.793 8.212 -6.669 327 HA SER 44 HA SER 44 -4.508 6.108 -7.645 328 HB2 SER 44 1HB SER 44 -2.708 6.500 -9.475 329 HB3 SER 44 2HB SER 44 -1.573 5.784 -8.317 330 HG SER 44 HG SER 44 -2.505 4.239 -9.709 331 H ILE 45 H ILE 45 -3.421 3.875 -6.826 332 HA ILE 45 HA ILE 45 -2.235 4.145 -4.133 333 HB ILE 45 HB ILE 45 -4.722 2.528 -4.850 334 HG12 ILE 45 1HG1 ILE 45 -4.575 4.453 -2.514 335 HG13 ILE 45 2HG1 ILE 45 -4.819 5.087 -4.123 336 HG21 ILE 45 1HG2 ILE 45 -3.120 2.562 -2.247 337 HG22 ILE 45 2HG2 ILE 45 -4.688 1.763 -2.464 338 HG23 ILE 45 3HG2 ILE 45 -3.291 1.195 -3.369 339 HD11 ILE 45 3HD1 ILE 45 -6.981 4.750 -3.036 340 HD12 ILE 45 1HD1 ILE 45 -6.835 3.644 -4.408 341 HD13 ILE 45 2HD1 ILE 45 -6.610 3.043 -2.747 342 H GLU 46 H GLU 46 -0.686 2.616 -3.877 343 HA GLU 46 HA GLU 46 -0.246 0.759 -6.147 344 HB2 GLU 46 1HB GLU 46 1.086 2.869 -6.149 345 HB3 GLU 46 2HB GLU 46 1.946 2.260 -4.759 346 HG2 GLU 46 1HG GLU 46 3.054 1.887 -6.995 347 HG3 GLU 46 2HG GLU 46 2.837 0.413 -6.021 348 H ILE 47 H ILE 47 -0.509 -1.250 -5.548 349 HA ILE 47 HA ILE 47 0.385 -2.246 -2.903 350 HB ILE 47 HB ILE 47 -2.061 -3.101 -4.482 351 HG12 ILE 47 1HG1 ILE 47 -1.818 -1.003 -2.323 352 HG13 ILE 47 2HG1 ILE 47 -2.462 -0.833 -3.957 353 HG21 ILE 47 1HG2 ILE 47 -1.054 -4.762 -2.868 354 HG22 ILE 47 2HG2 ILE 47 -1.298 -3.586 -1.561 355 HG23 ILE 47 3HG2 ILE 47 -2.679 -4.266 -2.439 356 HD11 ILE 47 3HD1 ILE 47 -4.340 -2.329 -3.371 357 HD12 ILE 47 1HD1 ILE 47 -3.742 -2.384 -1.693 358 HD13 ILE 47 2HD1 ILE 47 -4.275 -0.849 -2.380 359 HA PRO 48 HA PRO 48 2.453 -4.914 -6.078 360 HB2 PRO 48 1HB PRO 48 4.602 -5.572 -4.527 361 HB3 PRO 48 2HB PRO 48 4.542 -4.106 -5.550 362 HG2 PRO 48 1HG PRO 48 4.088 -4.345 -2.572 363 HG3 PRO 48 2HG PRO 48 4.936 -3.048 -3.460 364 HD2 PRO 48 1HD PRO 48 2.363 -2.831 -2.581 365 HD3 PRO 48 2HD PRO 48 2.975 -1.979 -4.037 366 H ARG 49 H ARG 49 2.211 -7.091 -6.115 367 HA ARG 49 HA ARG 49 1.195 -8.512 -3.719 368 HB2 ARG 49 1HB ARG 49 0.416 -10.140 -5.715 369 HB3 ARG 49 2HB ARG 49 -0.590 -8.887 -5.028 370 HG2 ARG 49 1HG ARG 49 1.061 -8.131 -7.430 371 HG3 ARG 49 2HG ARG 49 -0.289 -9.239 -7.662 372 HD2 ARG 49 1HD ARG 49 -0.779 -6.745 -6.052 373 HD3 ARG 49 2HD ARG 49 -0.691 -6.653 -7.796 374 HE ARG 49 HE ARG 49 -2.637 -8.322 -6.220 375 HH11 ARG 49 1HH1 ARG 49 -1.954 -6.554 -9.266 376 HH12 ARG 49 2HH1 ARG 49 -3.463 -7.063 -9.973 377 HH21 ARG 49 1HH2 ARG 49 -4.501 -8.937 -7.178 378 HH22 ARG 49 2HH2 ARG 49 -4.993 -8.389 -8.748 379 HA PRO 50 HA PRO 50 4.593 -11.569 -4.223 380 HB2 PRO 50 1HB PRO 50 3.238 -13.938 -3.962 381 HB3 PRO 50 2HB PRO 50 3.628 -12.875 -2.587 382 HG2 PRO 50 1HG PRO 50 1.043 -12.954 -4.183 383 HG3 PRO 50 2HG PRO 50 1.237 -13.054 -2.399 384 HD2 PRO 50 1HD PRO 50 0.673 -10.713 -3.501 385 HD3 PRO 50 2HD PRO 50 1.946 -10.799 -2.258 386 H VAL 51 H VAL 51 5.168 -13.372 -5.559 387 HA VAL 51 HA VAL 51 3.752 -13.635 -8.153 388 HB VAL 51 HB VAL 51 6.774 -13.363 -7.800 389 HG11 VAL 51 1HG1 VAL 51 4.928 -13.551 -10.197 390 HG12 VAL 51 2HG1 VAL 51 6.656 -13.127 -10.322 391 HG13 VAL 51 3HG1 VAL 51 6.169 -14.714 -9.706 392 HG21 VAL 51 3HG2 VAL 51 5.843 -11.134 -7.378 393 HG22 VAL 51 1HG2 VAL 51 6.619 -11.177 -8.955 394 HG23 VAL 51 2HG2 VAL 51 4.845 -11.239 -8.846 395 H ASP 52 H ASP 52 3.062 -15.752 -8.015 396 HA ASP 52 HA ASP 52 2.977 -17.914 -7.484 397 HB2 ASP 52 1HB ASP 52 4.719 -17.601 -9.346 398 HB3 ASP 52 2HB ASP 52 5.932 -17.988 -8.139 399 H GLY 53 H GLY 53 3.378 -16.263 -5.268 400 HA2 GLY 53 1HA GLY 53 3.484 -16.454 -3.018 401 HA3 GLY 53 2HA GLY 53 4.062 -18.118 -3.171 402 H VAL 54 H VAL 54 6.131 -16.019 -4.905 403 HA VAL 54 HA VAL 54 8.286 -16.234 -3.146 404 HB VAL 54 HB VAL 54 8.122 -15.593 -5.651 405 HG11 VAL 54 1HG1 VAL 54 8.304 -13.303 -6.211 406 HG12 VAL 54 2HG1 VAL 54 6.857 -13.529 -5.178 407 HG13 VAL 54 3HG1 VAL 54 8.331 -12.830 -4.497 408 HG21 VAL 54 3HG2 VAL 54 10.372 -14.642 -5.635 409 HG22 VAL 54 1HG2 VAL 54 10.241 -14.362 -3.891 410 HG23 VAL 54 2HG2 VAL 54 10.239 -16.024 -4.525 411 H GLU 55 H GLU 55 9.389 -14.656 -1.967 412 HA GLU 55 HA GLU 55 7.869 -12.415 -0.777 413 HB2 GLU 55 1HB GLU 55 9.586 -12.084 0.761 414 HB3 GLU 55 2HB GLU 55 9.235 -13.805 0.742 415 HG2 GLU 55 1HG GLU 55 11.120 -13.788 -1.109 416 HG3 GLU 55 2HG GLU 55 11.604 -12.292 -0.330 417 H VAL 56 H VAL 56 7.712 -10.826 -2.148 418 HA VAL 56 HA VAL 56 10.014 -9.945 -3.812 419 HB VAL 56 HB VAL 56 8.121 -8.066 -4.245 420 HG11 VAL 56 1HG1 VAL 56 7.566 -9.295 -6.343 421 HG12 VAL 56 2HG1 VAL 56 9.299 -9.245 -6.004 422 HG13 VAL 56 3HG1 VAL 56 8.373 -10.727 -5.673 423 HG21 VAL 56 3HG2 VAL 56 5.947 -8.965 -4.583 424 HG22 VAL 56 1HG2 VAL 56 6.460 -10.567 -4.005 425 HG23 VAL 56 2HG2 VAL 56 6.381 -9.190 -2.891 426 HA PRO 57 HA PRO 57 11.148 -6.899 -0.754 427 HB2 PRO 57 1HB PRO 57 12.356 -4.974 -2.272 428 HB3 PRO 57 2HB PRO 57 13.109 -6.574 -1.982 429 HG2 PRO 57 1HG PRO 57 11.483 -5.685 -4.387 430 HG3 PRO 57 2HG PRO 57 13.065 -6.510 -4.371 431 HD2 PRO 57 1HD PRO 57 10.724 -7.872 -4.689 432 HD3 PRO 57 2HD PRO 57 12.057 -8.592 -3.748 433 H GLY 58 H GLY 58 9.817 -5.425 0.190 434 HA2 GLY 58 1HA GLY 58 8.635 -3.264 0.181 435 HA3 GLY 58 2HA GLY 58 8.374 -3.456 -1.526 436 H CYS 59 H CYS 59 7.771 -6.538 -0.200 437 HA CYS 59 HA CYS 59 4.941 -6.047 -0.628 438 HB2 CYS 59 1HB CYS 59 6.437 -8.217 -1.046 439 HB3 CYS 59 2HB CYS 59 5.985 -8.566 0.622 440 HG CYS 59 HG CYS 59 3.903 -7.621 -1.823 441 H GLY 60 H GLY 60 3.301 -6.356 0.910 442 HA2 GLY 60 1HA GLY 60 2.310 -6.280 3.013 443 HA3 GLY 60 2HA GLY 60 3.903 -6.277 3.788 444 H LYS 61 H LYS 61 4.103 -3.880 1.380 445 HA LYS 61 HA LYS 61 2.973 -1.787 3.188 446 HB2 LYS 61 1HB LYS 61 5.050 -1.340 1.053 447 HB3 LYS 61 2HB LYS 61 4.436 -0.198 2.233 448 HG2 LYS 61 1HG LYS 61 6.265 -0.700 3.381 449 HG3 LYS 61 2HG LYS 61 5.432 -2.158 3.914 450 HD2 LYS 61 1HD LYS 61 6.516 -3.494 2.230 451 HD3 LYS 61 2HD LYS 61 6.977 -2.105 1.288 452 HE2 LYS 61 1HE LYS 61 8.201 -2.903 3.913 453 HE3 LYS 61 2HE LYS 61 8.875 -3.052 2.269 454 HZ1 LYS 61 3HZ LYS 61 9.869 -1.175 3.186 455 HZ2 LYS 61 1HZ LYS 61 8.455 -0.558 3.766 456 HZ3 LYS 61 2HZ LYS 61 8.774 -0.616 2.143 457 H ILE 62 H ILE 62 2.197 0.143 1.883 458 HA ILE 62 HA ILE 62 1.280 -0.354 -0.830 459 HB ILE 62 HB ILE 62 -0.446 0.522 1.545 460 HG12 ILE 62 1HG1 ILE 62 -0.662 -1.693 -0.516 461 HG13 ILE 62 2HG1 ILE 62 -0.419 -1.855 1.218 462 HG21 ILE 62 1HG2 ILE 62 -2.223 1.146 -0.073 463 HG22 ILE 62 2HG2 ILE 62 -0.823 2.163 -0.206 464 HG23 ILE 62 3HG2 ILE 62 -1.077 0.893 -1.415 465 HD11 ILE 62 3HD1 ILE 62 -2.970 -0.904 -0.117 466 HD12 ILE 62 1HD1 ILE 62 -2.696 -2.442 0.687 467 HD13 ILE 62 2HD1 ILE 62 -2.690 -0.935 1.629 468 H PHE 63 H PHE 63 1.374 1.706 -1.954 469 HA PHE 63 HA PHE 63 2.001 4.095 -0.265 470 HB2 PHE 63 1HB PHE 63 2.704 3.827 -3.174 471 HB3 PHE 63 2HB PHE 63 3.206 5.100 -2.042 472 HD1 PHE 63 1HD PHE 63 4.991 4.518 -0.277 473 HD2 PHE 63 2HD PHE 63 3.760 1.777 -3.378 474 HE1 PHE 63 1HE PHE 63 6.915 3.016 0.253 475 HE2 PHE 63 2HE PHE 63 5.596 0.303 -2.815 476 HZ PHE 63 HZ PHE 63 7.278 0.968 -1.086 477 H VAL 64 H VAL 64 1.058 6.102 -1.250 478 HA VAL 64 HA VAL 64 -1.108 5.716 -3.171 479 HB VAL 64 HB VAL 64 -2.086 5.466 -0.889 480 HG11 VAL 64 1HG1 VAL 64 -1.262 8.357 -0.469 481 HG12 VAL 64 2HG1 VAL 64 -2.292 7.411 0.604 482 HG13 VAL 64 3HG1 VAL 64 -0.599 6.947 0.412 483 HG21 VAL 64 3HG2 VAL 64 -3.433 6.440 -2.732 484 HG22 VAL 64 1HG2 VAL 64 -3.936 6.871 -1.095 485 HG23 VAL 64 2HG2 VAL 64 -3.056 8.059 -2.091 486 H GLU 65 H GLU 65 -1.450 7.755 -4.315 487 HA GLU 65 HA GLU 65 0.670 9.792 -3.825 488 HB2 GLU 65 1HB GLU 65 1.592 8.465 -5.529 489 HB3 GLU 65 2HB GLU 65 0.030 8.335 -6.408 490 HG2 GLU 65 1HG GLU 65 0.119 10.620 -7.020 491 HG3 GLU 65 2HG GLU 65 1.493 10.962 -5.993 492 H PHE 66 H PHE 66 0.056 11.837 -4.142 493 HA PHE 66 HA PHE 66 -2.803 12.336 -4.784 494 HB2 PHE 66 1HB PHE 66 -0.837 14.027 -3.195 495 HB3 PHE 66 2HB PHE 66 -2.523 14.429 -3.526 496 HD1 PHE 66 2HD PHE 66 -0.288 12.052 -1.719 497 HD2 PHE 66 1HD PHE 66 -4.344 13.453 -2.230 498 HE1 PHE 66 2HE PHE 66 -0.981 10.776 0.271 499 HE2 PHE 66 1HE PHE 66 -5.026 12.161 -0.217 500 HZ PHE 66 HZ PHE 66 -3.335 10.795 1.007 501 H THR 67 H THR 67 -3.157 14.379 -5.925 502 HA THR 67 HA THR 67 -1.244 14.631 -8.126 503 HB THR 67 HB THR 67 -3.703 14.299 -8.293 504 HG1 THR 67 1HG THR 67 -3.025 16.665 -9.597 505 HG21 THR 67 3HG2 THR 67 -4.347 15.879 -6.499 506 HG22 THR 67 1HG2 THR 67 -5.219 16.157 -8.027 507 HG23 THR 67 2HG2 THR 67 -3.907 17.243 -7.529 508 H SER 68 H SER 68 -1.178 16.042 -5.065 509 HA SER 68 HA SER 68 0.512 18.146 -6.011 510 HB2 SER 68 1HB SER 68 -0.678 19.938 -4.724 511 HB3 SER 68 2HB SER 68 -1.512 19.409 -6.192 512 HG SER 68 HG SER 68 -2.783 18.039 -4.769 513 H VAL 69 H VAL 69 2.058 18.599 -4.389 514 HA VAL 69 HA VAL 69 2.404 16.920 -2.176 515 HB VAL 69 HB VAL 69 3.310 19.772 -1.850 516 HG11 VAL 69 1HG1 VAL 69 3.946 17.859 -0.282 517 HG12 VAL 69 2HG1 VAL 69 4.906 17.201 -1.606 518 HG13 VAL 69 3HG1 VAL 69 5.298 18.797 -0.946 519 HG21 VAL 69 3HG2 VAL 69 5.194 19.637 -3.264 520 HG22 VAL 69 1HG2 VAL 69 4.767 18.051 -3.872 521 HG23 VAL 69 2HG2 VAL 69 3.740 19.468 -4.241 522 H PHE 70 H PHE 70 0.543 19.885 -2.450 523 HA PHE 70 HA PHE 70 0.369 20.339 0.417 524 HB2 PHE 70 1HB PHE 70 -0.713 21.655 -2.056 525 HB3 PHE 70 2HB PHE 70 -1.483 22.009 -0.519 526 HD1 PHE 70 1HD PHE 70 -0.200 23.037 1.379 527 HD2 PHE 70 2HD PHE 70 1.510 22.600 -2.571 528 HE1 PHE 70 1HE PHE 70 1.456 24.794 1.893 529 HE2 PHE 70 2HE PHE 70 3.127 24.389 -2.057 530 HZ PHE 70 HZ PHE 70 3.096 25.515 0.163 531 H ASP 71 H ASP 71 -1.611 18.494 -1.880 532 HA ASP 71 HA ASP 71 -3.871 18.122 -0.030 533 HB2 ASP 71 1HB ASP 71 -2.855 16.584 -2.462 534 HB3 ASP 71 2HB ASP 71 -4.141 15.993 -1.442 535 H CYS 72 H CYS 72 -0.927 16.442 -0.995 536 HA CYS 72 HA CYS 72 -1.281 14.116 0.498 537 HB2 CYS 72 1HB CYS 72 0.434 14.446 -1.329 538 HB3 CYS 72 2HB CYS 72 1.397 15.432 -0.221 539 HG CYS 72 HG CYS 72 1.709 13.560 1.603 540 H GLN 73 H GLN 73 0.474 17.082 1.397 541 HA GLN 73 HA GLN 73 1.371 16.295 3.937 542 HB2 GLN 73 1HB GLN 73 0.699 18.907 2.527 543 HB3 GLN 73 2HB GLN 73 1.041 18.984 4.242 544 HG2 GLN 73 1HG GLN 73 3.227 18.132 4.001 545 HG3 GLN 73 2HG GLN 73 2.957 17.622 2.323 546 HE21 GLN 73 1HE2 GLN 73 2.905 19.276 0.687 547 HE22 GLN 73 2HE2 GLN 73 3.602 20.879 1.011 548 H LYS 74 H LYS 74 -1.977 17.165 3.013 549 HA LYS 74 HA LYS 74 -2.718 17.715 5.794 550 HB2 LYS 74 1HB LYS 74 -4.667 17.165 3.530 551 HB3 LYS 74 2HB LYS 74 -4.856 18.115 4.992 552 HG2 LYS 74 1HG LYS 74 -2.818 19.486 3.702 553 HG3 LYS 74 2HG LYS 74 -3.749 18.808 2.345 554 HD2 LYS 74 1HD LYS 74 -5.811 19.856 3.528 555 HD3 LYS 74 2HD LYS 74 -4.662 20.700 4.568 556 HE2 LYS 74 1HE LYS 74 -4.990 20.910 1.552 557 HE3 LYS 74 2HE LYS 74 -5.316 22.169 2.749 558 HZ1 LYS 74 3HZ LYS 74 -3.254 22.568 1.640 559 HZ2 LYS 74 1HZ LYS 74 -2.684 21.067 2.003 560 HZ3 LYS 74 2HZ LYS 74 -2.895 22.217 3.192 561 H ALA 75 H ALA 75 -3.340 15.258 3.277 562 HA ALA 75 HA ALA 75 -4.802 13.421 4.809 563 HB1 ALA 75 1HB ALA 75 -4.126 11.804 3.068 564 HB2 ALA 75 2HB ALA 75 -4.515 13.368 2.320 565 HB3 ALA 75 3HB ALA 75 -2.826 12.885 2.531 566 H MET 76 H MET 76 -1.259 13.471 4.200 567 HA MET 76 HA MET 76 -0.673 11.079 5.457 568 HB2 MET 76 1HB MET 76 1.519 11.581 5.079 569 HB3 MET 76 2HB MET 76 0.751 12.682 3.948 570 HG2 MET 76 1HG MET 76 2.403 13.910 4.777 571 HG3 MET 76 2HG MET 76 1.051 14.475 5.730 572 HE1 MET 76 3HE MET 76 4.549 11.770 7.272 573 HE2 MET 76 1HE MET 76 3.227 11.049 6.346 574 HE3 MET 76 2HE MET 76 4.293 12.249 5.575 575 H GLN 77 H GLN 77 -1.022 14.218 6.918 576 HA GLN 77 HA GLN 77 -0.145 13.303 9.590 577 HB2 GLN 77 1HB GLN 77 -1.306 15.968 8.631 578 HB3 GLN 77 2HB GLN 77 -0.667 15.642 10.255 579 HG2 GLN 77 1HG GLN 77 1.582 15.283 9.355 580 HG3 GLN 77 2HG GLN 77 0.977 15.478 7.701 581 HE21 GLN 77 1HE2 GLN 77 2.890 17.060 7.835 582 HE22 GLN 77 2HE2 GLN 77 2.486 18.699 8.352 583 H GLY 78 H GLY 78 -3.148 14.094 7.801 584 HA2 GLY 78 1HA GLY 78 -4.952 14.141 9.987 585 HA3 GLY 78 2HA GLY 78 -5.343 13.861 8.297 586 H LEU 79 H LEU 79 -3.618 11.525 8.088 587 HA LEU 79 HA LEU 79 -5.472 9.575 9.308 588 HB2 LEU 79 1HB LEU 79 -3.838 9.621 6.763 589 HB3 LEU 79 2HB LEU 79 -4.808 8.242 7.268 590 HG LEU 79 HG LEU 79 -6.053 11.013 6.911 591 HD11 LEU 79 1HD1 LEU 79 -5.664 8.846 4.851 592 HD12 LEU 79 2HD1 LEU 79 -5.073 10.525 4.789 593 HD13 LEU 79 3HD1 LEU 79 -6.823 10.159 4.687 594 HD21 LEU 79 3HD2 LEU 79 -8.109 9.593 6.514 595 HD22 LEU 79 1HD2 LEU 79 -7.474 9.470 8.156 596 HD23 LEU 79 2HD2 LEU 79 -7.178 8.193 6.924 597 H THR 80 H THR 80 -2.505 10.649 10.134 598 HA THR 80 HA THR 80 -0.966 8.362 10.684 599 HB THR 80 HB THR 80 -1.607 10.935 12.197 600 HG1 THR 80 1HG THR 80 0.923 10.670 11.307 601 HG21 THR 80 3HG2 THR 80 0.514 10.574 13.484 602 HG22 THR 80 1HG2 THR 80 0.495 8.877 12.953 603 HG23 THR 80 2HG2 THR 80 -0.827 9.515 13.946 604 H GLY 81 H GLY 81 -1.338 6.593 11.944 605 HA2 GLY 81 1HA GLY 81 -2.013 5.387 13.768 606 HA3 GLY 81 2HA GLY 81 -2.988 6.741 14.330 607 H ARG 82 H ARG 82 -3.952 6.326 11.096 608 HA ARG 82 HA ARG 82 -6.462 5.330 11.882 609 HB2 ARG 82 1HB ARG 82 -5.033 5.800 9.235 610 HB3 ARG 82 2HB ARG 82 -6.615 5.089 9.232 611 HG2 ARG 82 1HG ARG 82 -6.131 7.723 10.643 612 HG3 ARG 82 2HG ARG 82 -6.470 7.562 8.924 613 HD2 ARG 82 1HD ARG 82 -8.570 8.002 9.835 614 HD3 ARG 82 2HD ARG 82 -8.579 6.264 9.533 615 HE ARG 82 HE ARG 82 -7.769 7.212 12.221 616 HH11 ARG 82 1HH1 ARG 82 -10.467 5.828 10.294 617 HH12 ARG 82 2HH1 ARG 82 -11.509 5.754 11.660 618 HH21 ARG 82 1HH2 ARG 82 -9.094 7.013 13.931 619 HH22 ARG 82 2HH2 ARG 82 -10.710 6.393 13.799 620 H LYS 83 H LYS 83 -7.454 3.547 10.354 621 HA LYS 83 HA LYS 83 -5.832 1.100 10.706 622 HB2 LYS 83 1HB LYS 83 -8.724 1.451 11.594 623 HB3 LYS 83 2HB LYS 83 -7.718 0.017 11.776 624 HG2 LYS 83 1HG LYS 83 -6.198 1.599 13.244 625 HG3 LYS 83 2HG LYS 83 -7.542 2.725 13.186 626 HD2 LYS 83 1HD LYS 83 -7.792 1.536 15.230 627 HD3 LYS 83 2HD LYS 83 -9.017 0.923 14.103 628 HE2 LYS 83 1HE LYS 83 -7.214 -0.873 13.513 629 HE3 LYS 83 2HE LYS 83 -6.417 -0.396 15.003 630 HZ1 LYS 83 3HZ LYS 83 -9.246 -1.242 14.936 631 HZ2 LYS 83 1HZ LYS 83 -8.226 -1.270 16.242 632 HZ3 LYS 83 2HZ LYS 83 -8.014 -2.332 14.998 633 H PHE 84 H PHE 84 -5.530 1.095 8.393 634 HA PHE 84 HA PHE 84 -7.873 1.580 6.626 635 HB2 PHE 84 1HB PHE 84 -4.914 1.173 6.190 636 HB3 PHE 84 2HB PHE 84 -6.032 0.969 4.854 637 HD1 PHE 84 2HD PHE 84 -6.698 3.713 7.267 638 HD2 PHE 84 1HD PHE 84 -4.962 2.586 3.481 639 HE1 PHE 84 2HE PHE 84 -6.554 6.102 6.569 640 HE2 PHE 84 1HE PHE 84 -4.763 4.992 2.852 641 HZ PHE 84 HZ PHE 84 -5.618 6.715 4.387 642 H ALA 85 H ALA 85 -7.470 -0.764 8.441 643 HA ALA 85 HA ALA 85 -9.199 -2.441 7.091 644 HB1 ALA 85 1HB ALA 85 -8.051 -4.627 7.309 645 HB2 ALA 85 2HB ALA 85 -7.240 -3.599 6.127 646 HB3 ALA 85 3HB ALA 85 -6.533 -3.800 7.706 647 H ASN 86 H ASN 86 -6.780 -3.281 9.494 648 HA ASN 86 HA ASN 86 -8.755 -3.016 11.732 649 HB2 ASN 86 1HB ASN 86 -7.722 -5.456 10.379 650 HB3 ASN 86 2HB ASN 86 -7.596 -5.494 12.130 651 HD21 ASN 86 1HD2 ASN 86 -9.434 -5.998 13.303 652 HD22 ASN 86 2HD2 ASN 86 -11.048 -6.092 12.587 653 H ARG 87 H ARG 87 -5.424 -2.712 10.730 654 HA ARG 87 HA ARG 87 -4.453 -3.036 13.530 655 HB2 ARG 87 1HB ARG 87 -2.884 -2.771 10.934 656 HB3 ARG 87 2HB ARG 87 -2.234 -3.148 12.537 657 HG2 ARG 87 1HG ARG 87 -3.757 -5.223 12.551 658 HG3 ARG 87 2HG ARG 87 -4.071 -4.883 10.855 659 HD2 ARG 87 1HD ARG 87 -2.357 -6.410 10.710 660 HD3 ARG 87 2HD ARG 87 -1.464 -4.894 10.586 661 HE ARG 87 HE ARG 87 -1.023 -5.076 13.042 662 HH11 ARG 87 1HH1 ARG 87 -1.530 -8.061 11.137 663 HH12 ARG 87 2HH1 ARG 87 -0.641 -9.036 12.209 664 HH21 ARG 87 1HH2 ARG 87 -0.290 -6.526 14.695 665 HH22 ARG 87 2HH2 ARG 87 0.033 -8.172 14.305 666 H VAL 88 H VAL 88 -2.249 -1.336 13.474 667 HA VAL 88 HA VAL 88 -3.413 1.388 13.210 668 HB VAL 88 HB VAL 88 -2.131 0.839 15.260 669 HG11 VAL 88 1HG1 VAL 88 0.296 0.550 13.506 670 HG12 VAL 88 2HG1 VAL 88 0.246 0.481 15.268 671 HG13 VAL 88 3HG1 VAL 88 -0.543 -0.790 14.323 672 HG21 VAL 88 3HG2 VAL 88 -0.710 2.897 13.539 673 HG22 VAL 88 1HG2 VAL 88 -2.169 3.172 14.523 674 HG23 VAL 88 2HG2 VAL 88 -0.622 2.764 15.286 675 H VAL 89 H VAL 89 -2.589 2.788 11.640 676 HA VAL 89 HA VAL 89 -0.638 1.704 9.678 677 HB VAL 89 HB VAL 89 -2.800 3.848 9.548 678 HG11 VAL 89 1HG1 VAL 89 -0.696 3.209 7.446 679 HG12 VAL 89 2HG1 VAL 89 -2.184 4.145 7.159 680 HG13 VAL 89 3HG1 VAL 89 -0.973 4.762 8.276 681 HG21 VAL 89 3HG2 VAL 89 -2.374 1.154 8.182 682 HG22 VAL 89 1HG2 VAL 89 -3.684 1.612 9.278 683 HG23 VAL 89 2HG2 VAL 89 -3.601 2.334 7.662 684 H VAL 90 H VAL 90 1.287 2.671 9.503 685 HA VAL 90 HA VAL 90 1.735 5.303 10.783 686 HB VAL 90 HB VAL 90 4.258 4.565 10.212 687 HG11 VAL 90 1HG1 VAL 90 3.495 5.474 12.335 688 HG12 VAL 90 2HG1 VAL 90 2.734 3.926 12.761 689 HG13 VAL 90 3HG1 VAL 90 4.500 4.051 12.629 690 HG21 VAL 90 3HG2 VAL 90 3.033 1.961 11.254 691 HG22 VAL 90 1HG2 VAL 90 3.646 2.193 9.609 692 HG23 VAL 90 2HG2 VAL 90 4.744 2.304 10.979 693 H THR 91 H THR 91 2.272 6.936 9.508 694 HA THR 91 HA THR 91 2.161 6.516 6.577 695 HB THR 91 HB THR 91 1.774 9.098 6.760 696 HG1 THR 91 1HG THR 91 0.832 9.772 8.644 697 HG21 THR 91 3HG2 THR 91 -0.657 8.750 7.098 698 HG22 THR 91 1HG2 THR 91 -0.351 7.166 7.821 699 HG23 THR 91 2HG2 THR 91 0.007 7.448 6.107 700 H LYS 92 H LYS 92 3.796 7.459 5.247 701 HA LYS 92 HA LYS 92 6.006 9.027 6.476 702 HB2 LYS 92 1HB LYS 92 6.198 6.277 5.245 703 HB3 LYS 92 2HB LYS 92 7.404 7.422 4.729 704 HG2 LYS 92 1HG LYS 92 7.043 7.161 7.705 705 HG3 LYS 92 2HG LYS 92 7.663 5.781 6.802 706 HD2 LYS 92 1HD LYS 92 9.388 7.324 5.758 707 HD3 LYS 92 2HD LYS 92 8.866 8.569 6.901 708 HE2 LYS 92 1HE LYS 92 10.890 7.396 7.646 709 HE3 LYS 92 2HE LYS 92 9.565 7.129 8.785 710 HZ1 LYS 92 3HZ LYS 92 10.888 5.109 8.151 711 HZ2 LYS 92 1HZ LYS 92 10.204 5.200 6.634 712 HZ3 LYS 92 2HZ LYS 92 9.281 4.958 7.961 713 H TYR 93 H TYR 93 7.167 10.266 4.675 714 HA TYR 93 HA TYR 93 5.603 10.437 2.141 715 HB2 TYR 93 1HB TYR 93 8.211 11.764 2.970 716 HB3 TYR 93 2HB TYR 93 7.434 11.948 1.410 717 HD1 TYR 93 2HD TYR 93 5.010 12.871 1.307 718 HD2 TYR 93 1HD TYR 93 7.555 13.202 4.787 719 HE1 TYR 93 2HE TYR 93 3.550 14.630 2.231 720 HE2 TYR 93 1HE TYR 93 6.081 14.906 5.727 721 HH TYR 93 HH TYR 93 4.142 16.058 5.504 722 H CYS 94 H CYS 94 6.422 9.564 0.209 723 HA CYS 94 HA CYS 94 8.720 7.695 0.467 724 HB2 CYS 94 1HB CYS 94 6.182 6.907 -0.361 725 HB3 CYS 94 2HB CYS 94 6.962 7.251 -1.897 726 HG CYS 94 HG CYS 94 7.976 5.368 0.606 727 H ASP 95 H ASP 95 9.118 7.450 -2.376 728 HA ASP 95 HA ASP 95 9.813 10.244 -3.140 729 HB2 ASP 95 1HB ASP 95 11.208 7.657 -3.904 730 HB3 ASP 95 2HB ASP 95 11.550 9.272 -4.553 731 HA PRO 96 HA PRO 96 6.787 9.123 -6.200 732 HB2 PRO 96 1HB PRO 96 6.986 11.150 -8.014 733 HB3 PRO 96 2HB PRO 96 6.331 11.385 -6.380 734 HG2 PRO 96 1HG PRO 96 9.089 11.938 -7.368 735 HG3 PRO 96 2HG PRO 96 8.107 12.969 -6.327 736 HD2 PRO 96 1HD PRO 96 10.077 11.335 -5.349 737 HD3 PRO 96 2HD PRO 96 8.585 11.700 -4.428 738 H ASP 97 H ASP 97 10.212 9.629 -7.235 739 HA ASP 97 HA ASP 97 10.089 8.629 -9.835 740 HB2 ASP 97 1HB ASP 97 12.075 9.049 -7.701 741 HB3 ASP 97 2HB ASP 97 12.392 7.598 -8.611 742 H SER 98 H SER 98 10.647 6.831 -6.732 743 HA SER 98 HA SER 98 10.516 4.340 -8.155 744 HB2 SER 98 1HB SER 98 10.477 3.453 -5.657 745 HB3 SER 98 2HB SER 98 11.931 4.119 -6.382 746 HG SER 98 HG SER 98 10.324 5.142 -4.400 747 H TYR 99 H TYR 99 8.117 6.513 -7.054 748 HA TYR 99 HA TYR 99 6.118 4.536 -6.364 749 HB2 TYR 99 1HB TYR 99 6.048 6.881 -5.443 750 HB3 TYR 99 2HB TYR 99 5.795 7.483 -7.089 751 HD1 TYR 99 2HD TYR 99 3.670 7.118 -8.327 752 HD2 TYR 99 1HD TYR 99 4.180 6.071 -4.177 753 HE1 TYR 99 2HE TYR 99 1.321 6.475 -8.232 754 HE2 TYR 99 1HE TYR 99 1.779 5.586 -4.031 755 HH TYR 99 HH TYR 99 -0.032 4.811 -6.896 756 H HIS 100 H HIS 100 6.891 6.543 -9.203 757 HA HIS 100 HA HIS 100 4.740 5.647 -10.830 758 HB2 HIS 100 1HB HIS 100 7.560 6.509 -11.605 759 HB3 HIS 100 2HB HIS 100 6.205 6.333 -12.709 760 HD1 HIS 100 1HD HIS 100 7.839 8.934 -10.699 761 HD2 HIS 100 2HD HIS 100 3.922 8.015 -11.911 762 HE1 HIS 100 1HE HIS 100 6.557 11.117 -10.650 763 H ARG 101 H ARG 101 7.567 3.920 -9.760 764 HA ARG 101 HA ARG 101 7.325 1.894 -11.943 765 HB2 ARG 101 1HB ARG 101 9.749 2.710 -10.265 766 HB3 ARG 101 2HB ARG 101 9.737 1.468 -11.512 767 HG2 ARG 101 1HG ARG 101 9.392 4.455 -11.922 768 HG3 ARG 101 2HG ARG 101 10.761 3.439 -12.316 769 HD2 ARG 101 1HD ARG 101 9.995 3.146 -14.367 770 HD3 ARG 101 2HD ARG 101 8.641 2.235 -13.724 771 HE ARG 101 HE ARG 101 7.262 3.976 -14.282 772 HH11 ARG 101 1HH1 ARG 101 10.596 5.370 -13.968 773 HH12 ARG 101 2HH1 ARG 101 10.089 6.859 -14.678 774 HH21 ARG 101 1HH2 ARG 101 6.673 6.166 -14.935 775 HH22 ARG 101 2HH2 ARG 101 7.943 7.315 -15.152 776 H ARG 102 H ARG 102 8.517 -0.181 -11.042 777 HA ARG 102 HA ARG 102 7.082 -0.928 -8.594 778 HB2 ARG 102 1HB ARG 102 7.213 -2.186 -10.935 779 HB3 ARG 102 2HB ARG 102 8.683 -2.895 -10.237 780 HG2 ARG 102 1HG ARG 102 7.292 -3.602 -8.251 781 HG3 ARG 102 2HG ARG 102 5.880 -2.849 -9.067 782 HD2 ARG 102 1HD ARG 102 6.324 -4.289 -10.981 783 HD3 ARG 102 2HD ARG 102 7.484 -5.203 -9.953 784 HE ARG 102 HE ARG 102 5.282 -5.401 -8.479 785 HH11 ARG 102 1HH1 ARG 102 5.799 -5.998 -11.956 786 HH12 ARG 102 2HH1 ARG 102 4.248 -6.796 -12.155 787 HH21 ARG 102 1HH2 ARG 102 3.597 -6.844 -8.685 788 HH22 ARG 102 2HH2 ARG 102 3.104 -7.550 -10.183 789 H ASP 103 H ASP 103 9.277 0.883 -8.167 790 HA ASP 103 HA ASP 103 11.680 -0.778 -7.799 791 HB2 ASP 103 1HB ASP 103 11.691 1.364 -9.118 792 HB3 ASP 103 2HB ASP 103 11.483 2.233 -7.594 793 H PHE 104 H PHE 104 10.005 -1.597 -5.979 794 HA PHE 104 HA PHE 104 9.972 0.069 -3.608 795 HB2 PHE 104 1HB PHE 104 9.009 -2.792 -3.849 796 HB3 PHE 104 2HB PHE 104 8.462 -1.539 -2.720 797 HD1 PHE 104 2HD PHE 104 7.809 0.770 -4.313 798 HD2 PHE 104 1HD PHE 104 7.340 -3.389 -5.355 799 HE1 PHE 104 2HE PHE 104 6.080 1.373 -5.986 800 HE2 PHE 104 1HE PHE 104 5.654 -2.791 -7.032 801 HZ PHE 104 HZ PHE 104 4.987 -0.324 -7.319 802 H TRP 105 H TRP 105 11.181 -0.096 -1.802 803 HA TRP 105 HA TRP 105 12.323 -2.645 -1.015 804 HB2 TRP 105 1HB TRP 105 14.011 -0.782 -2.139 805 HB3 TRP 105 2HB TRP 105 13.998 -0.197 -0.495 806 HD1 TRP 105 HD TRP 105 14.414 -3.621 -2.229 807 HE1 TRP 105 1HE TRP 105 16.603 -4.717 -1.464 808 HE3 TRP 105 3HE TRP 105 16.028 -0.023 1.037 809 HZ2 TRP 105 2HZ TRP 105 18.761 -4.124 0.336 810 HZ3 TRP 105 3HZ TRP 105 18.200 -0.259 2.181 811 HH2 TRP 105 HH TRP 105 19.585 -2.293 1.844 Start of MODEL 18 1 H1 GLY 1 H GLY 1 12.264 13.688 7.184 2 HA2 GLY 1 1HA GLY 1 14.613 12.077 6.375 3 HA3 GLY 1 2HA GLY 1 13.013 11.928 5.594 4 H GLY 2 H GLY 2 13.794 12.567 3.589 5 HA2 GLY 2 1HA GLY 2 14.783 15.276 3.113 6 HA3 GLY 2 2HA GLY 2 14.343 14.044 1.924 7 H HIS 3 H HIS 3 13.203 15.845 0.913 8 HA HIS 3 HA HIS 3 11.138 17.325 2.114 9 HB2 HIS 3 1HB HIS 3 10.581 18.011 -0.113 10 HB3 HIS 3 2HB HIS 3 12.325 17.891 0.019 11 HD1 HIS 3 1HD HIS 3 13.114 15.147 -1.027 12 HD2 HIS 3 2HD HIS 3 9.835 17.397 -2.436 13 HE1 HIS 3 1HE HIS 3 12.690 14.384 -3.398 14 HA PRO 4 HA PRO 4 7.413 14.715 1.803 15 HB2 PRO 4 1HB PRO 4 5.551 16.668 1.218 16 HB3 PRO 4 2HB PRO 4 6.194 16.483 2.845 17 HG2 PRO 4 1HG PRO 4 7.112 18.416 0.751 18 HG3 PRO 4 2HG PRO 4 6.775 18.717 2.477 19 HD2 PRO 4 1HD PRO 4 9.276 18.365 1.599 20 HD3 PRO 4 2HD PRO 4 8.765 17.694 3.161 21 H THR 5 H THR 5 6.174 13.899 0.022 22 HA THR 5 HA THR 5 6.572 15.194 -2.616 23 HB THR 5 HB THR 5 7.218 13.101 -3.680 24 HG1 THR 5 1HG THR 5 7.844 11.614 -1.564 25 HG21 THR 5 3HG2 THR 5 9.474 12.893 -2.901 26 HG22 THR 5 1HG2 THR 5 9.048 13.420 -1.260 27 HG23 THR 5 2HG2 THR 5 8.981 14.557 -2.615 28 H GLU 6 H GLU 6 5.128 13.848 -4.238 29 HA GLU 6 HA GLU 6 2.447 13.880 -3.126 30 HB2 GLU 6 1HB GLU 6 3.463 13.042 -5.889 31 HB3 GLU 6 2HB GLU 6 1.779 13.433 -5.468 32 HG2 GLU 6 1HG GLU 6 2.512 15.723 -4.794 33 HG3 GLU 6 2HG GLU 6 4.154 15.346 -5.325 34 H VAL 7 H VAL 7 4.640 11.639 -2.509 35 HA VAL 7 HA VAL 7 2.872 9.267 -2.854 36 HB VAL 7 HB VAL 7 5.875 9.321 -3.306 37 HG11 VAL 7 1HG1 VAL 7 4.892 7.136 -2.471 38 HG12 VAL 7 2HG1 VAL 7 3.830 7.131 -3.897 39 HG13 VAL 7 3HG1 VAL 7 5.603 7.065 -4.073 40 HG21 VAL 7 3HG2 VAL 7 3.517 9.399 -5.228 41 HG22 VAL 7 1HG2 VAL 7 4.918 10.495 -5.124 42 HG23 VAL 7 2HG2 VAL 7 5.147 8.835 -5.707 43 H LEU 8 H LEU 8 2.282 8.725 -0.878 44 HA LEU 8 HA LEU 8 4.031 8.979 1.485 45 HB2 LEU 8 1HB LEU 8 1.471 9.792 1.118 46 HB3 LEU 8 2HB LEU 8 1.142 8.114 1.463 47 HG LEU 8 HG LEU 8 2.458 8.437 3.656 48 HD11 LEU 8 1HD1 LEU 8 3.565 10.562 3.166 49 HD12 LEU 8 2HD1 LEU 8 2.343 10.849 4.433 50 HD13 LEU 8 3HD1 LEU 8 2.016 11.335 2.765 51 HD21 LEU 8 3HD2 LEU 8 -0.152 9.921 3.128 52 HD22 LEU 8 1HD2 LEU 8 0.460 9.468 4.735 53 HD23 LEU 8 2HD2 LEU 8 0.031 8.206 3.557 54 H CYS 9 H CYS 9 4.808 7.085 2.425 55 HA CYS 9 HA CYS 9 3.999 4.472 1.242 56 HB2 CYS 9 1HB CYS 9 6.402 4.861 1.687 57 HB3 CYS 9 2HB CYS 9 6.046 5.057 3.413 58 HG CYS 9 HG CYS 9 6.869 2.716 3.474 59 H LEU 10 H LEU 10 2.695 3.142 2.270 60 HA LEU 10 HA LEU 10 1.567 3.753 4.953 61 HB2 LEU 10 1HB LEU 10 0.309 2.842 2.325 62 HB3 LEU 10 2HB LEU 10 -0.479 2.688 3.888 63 HG LEU 10 HG LEU 10 0.392 5.359 2.722 64 HD11 LEU 10 1HD1 LEU 10 -2.030 5.614 2.195 65 HD12 LEU 10 2HD1 LEU 10 -2.318 3.950 2.707 66 HD13 LEU 10 3HD1 LEU 10 -1.265 4.264 1.314 67 HD21 LEU 10 3HD2 LEU 10 0.146 5.355 5.187 68 HD22 LEU 10 1HD2 LEU 10 -1.474 4.633 5.037 69 HD23 LEU 10 2HD2 LEU 10 -1.166 6.265 4.421 70 H MET 11 H MET 11 1.922 2.106 6.289 71 HA MET 11 HA MET 11 2.777 -0.552 5.146 72 HB2 MET 11 1HB MET 11 3.935 1.201 7.302 73 HB3 MET 11 2HB MET 11 4.545 -0.388 6.932 74 HG2 MET 11 1HG MET 11 5.229 0.280 4.734 75 HG3 MET 11 2HG MET 11 4.446 1.848 4.890 76 HE1 MET 11 3HE MET 11 5.339 2.497 8.090 77 HE2 MET 11 1HE MET 11 6.502 3.744 7.591 78 HE3 MET 11 2HE MET 11 4.938 3.589 6.740 79 H ASN 12 H ASN 12 0.671 -1.260 5.696 80 HA ASN 12 HA ASN 12 0.403 -2.766 7.919 81 HB2 ASN 12 1HB ASN 12 -0.426 0.012 8.656 82 HB3 ASN 12 2HB ASN 12 -1.571 -1.233 9.103 83 HD21 ASN 12 1HD2 ASN 12 0.558 0.474 10.674 84 HD22 ASN 12 2HD2 ASN 12 1.163 -0.733 11.791 85 H MET 13 H MET 13 -1.387 -0.972 5.508 86 HA MET 13 HA MET 13 -4.077 -1.535 6.057 87 HB2 MET 13 1HB MET 13 -2.371 -1.033 3.705 88 HB3 MET 13 2HB MET 13 -3.905 -1.826 3.311 89 HG2 MET 13 1HG MET 13 -4.666 0.204 3.049 90 HG3 MET 13 2HG MET 13 -4.683 0.323 4.811 91 HE1 MET 13 3HE MET 13 -3.215 2.456 5.937 92 HE2 MET 13 1HE MET 13 -2.560 0.815 6.099 93 HE3 MET 13 2HE MET 13 -1.481 2.165 5.693 94 H VAL 14 H VAL 14 -1.693 -3.413 4.208 95 HA VAL 14 HA VAL 14 -3.352 -5.831 4.413 96 HB VAL 14 HB VAL 14 -2.575 -6.405 2.110 97 HG11 VAL 14 1HG1 VAL 14 -4.021 -3.727 2.087 98 HG12 VAL 14 2HG1 VAL 14 -4.123 -5.044 0.908 99 HG13 VAL 14 3HG1 VAL 14 -4.769 -5.269 2.543 100 HG21 VAL 14 3HG2 VAL 14 -0.528 -5.017 2.027 101 HG22 VAL 14 1HG2 VAL 14 -1.603 -4.681 0.658 102 HG23 VAL 14 2HG2 VAL 14 -1.508 -3.551 2.017 103 H LEU 15 H LEU 15 -2.064 -7.776 4.032 104 HA LEU 15 HA LEU 15 0.711 -7.581 5.149 105 HB2 LEU 15 1HB LEU 15 -1.025 -10.047 4.763 106 HB3 LEU 15 2HB LEU 15 0.442 -9.896 5.735 107 HG LEU 15 HG LEU 15 -2.258 -8.621 6.350 108 HD11 LEU 15 1HD1 LEU 15 -0.705 -10.918 7.590 109 HD12 LEU 15 2HD1 LEU 15 -2.241 -10.985 6.726 110 HD13 LEU 15 3HD1 LEU 15 -2.157 -10.176 8.291 111 HD21 LEU 15 3HD2 LEU 15 -0.451 -7.126 7.136 112 HD22 LEU 15 1HD2 LEU 15 0.319 -8.500 7.975 113 HD23 LEU 15 2HD2 LEU 15 -1.281 -7.908 8.460 114 HA PRO 16 HA PRO 16 2.193 -8.873 1.005 115 HB2 PRO 16 1HB PRO 16 4.445 -10.276 1.600 116 HB3 PRO 16 2HB PRO 16 4.326 -8.536 1.905 117 HG2 PRO 16 1HG PRO 16 3.866 -10.774 3.894 118 HG3 PRO 16 2HG PRO 16 4.922 -9.341 4.055 119 HD2 PRO 16 1HD PRO 16 2.408 -9.388 5.058 120 HD3 PRO 16 2HD PRO 16 3.093 -7.907 4.361 121 H GLU 17 H GLU 17 0.177 -10.657 2.463 122 HA GLU 17 HA GLU 17 0.900 -13.290 1.381 123 HB2 GLU 17 1HB GLU 17 0.766 -14.510 3.459 124 HB3 GLU 17 2HB GLU 17 2.129 -13.400 3.398 125 HG2 GLU 17 1HG GLU 17 1.025 -11.848 4.910 126 HG3 GLU 17 2HG GLU 17 -0.434 -12.859 4.946 127 H GLU 18 H GLU 18 -1.476 -11.020 1.752 128 HA GLU 18 HA GLU 18 -3.633 -13.105 1.698 129 HB2 GLU 18 1HB GLU 18 -3.674 -10.298 2.819 130 HB3 GLU 18 2HB GLU 18 -5.042 -11.410 2.799 131 HG2 GLU 18 1HG GLU 18 -2.425 -11.892 4.282 132 HG3 GLU 18 2HG GLU 18 -3.869 -11.234 5.000 133 H LEU 19 H LEU 19 -1.993 -11.304 -0.313 134 HA LEU 19 HA LEU 19 -4.012 -9.770 -1.713 135 HB2 LEU 19 1HB LEU 19 -1.231 -10.516 -2.705 136 HB3 LEU 19 2HB LEU 19 -2.292 -9.186 -3.225 137 HG LEU 19 HG LEU 19 -0.501 -8.421 -2.061 138 HD11 LEU 19 1HD1 LEU 19 -2.564 -7.173 -1.604 139 HD12 LEU 19 2HD1 LEU 19 -1.467 -7.097 -0.214 140 HD13 LEU 19 3HD1 LEU 19 -2.871 -8.190 -0.175 141 HD21 LEU 19 3HD2 LEU 19 0.441 -8.983 -0.186 142 HD22 LEU 19 1HD2 LEU 19 -0.003 -10.542 -0.867 143 HD23 LEU 19 2HD2 LEU 19 -0.982 -9.830 0.434 144 H LEU 20 H LEU 20 -3.733 -12.745 -1.493 145 HA LEU 20 HA LEU 20 -3.662 -13.786 -4.247 146 HB2 LEU 20 1HB LEU 20 -3.977 -15.248 -1.583 147 HB3 LEU 20 2HB LEU 20 -3.759 -16.009 -3.142 148 HG LEU 20 HG LEU 20 -1.700 -16.096 -2.046 149 HD11 LEU 20 1HD1 LEU 20 -0.208 -15.150 -3.614 150 HD12 LEU 20 2HD1 LEU 20 -1.305 -13.787 -3.981 151 HD13 LEU 20 3HD1 LEU 20 -1.702 -15.430 -4.509 152 HD21 LEU 20 3HD2 LEU 20 -2.083 -14.199 -0.425 153 HD22 LEU 20 1HD2 LEU 20 -1.469 -13.103 -1.693 154 HD23 LEU 20 2HD2 LEU 20 -0.440 -14.379 -1.060 155 H ASP 21 H ASP 21 -6.244 -12.955 -2.053 156 HA ASP 21 HA ASP 21 -8.184 -14.490 -3.744 157 HB2 ASP 21 1HB ASP 21 -8.186 -13.775 -0.823 158 HB3 ASP 21 2HB ASP 21 -9.709 -13.568 -1.706 159 H ASP 22 H ASP 22 -7.967 -13.024 -5.435 160 HA ASP 22 HA ASP 22 -7.467 -10.409 -5.514 161 HB2 ASP 22 1HB ASP 22 -9.343 -11.874 -7.418 162 HB3 ASP 22 2HB ASP 22 -8.552 -10.342 -7.749 163 H GLU 23 H GLU 23 -10.516 -11.784 -4.768 164 HA GLU 23 HA GLU 23 -12.281 -9.600 -5.270 165 HB2 GLU 23 1HB GLU 23 -13.843 -10.872 -3.838 166 HB3 GLU 23 2HB GLU 23 -13.133 -11.788 -5.175 167 HG2 GLU 23 1HG GLU 23 -11.528 -12.850 -3.672 168 HG3 GLU 23 2HG GLU 23 -12.068 -11.825 -2.340 169 H GLU 24 H GLU 24 -10.097 -10.293 -2.534 170 HA GLU 24 HA GLU 24 -11.449 -8.345 -0.815 171 HB2 GLU 24 1HB GLU 24 -10.680 -10.364 0.171 172 HB3 GLU 24 2HB GLU 24 -9.096 -10.258 -0.593 173 HG2 GLU 24 1HG GLU 24 -8.396 -8.498 0.703 174 HG3 GLU 24 2HG GLU 24 -10.003 -8.114 1.338 175 H TYR 25 H TYR 25 -8.610 -8.686 -2.934 176 HA TYR 25 HA TYR 25 -7.134 -6.490 -1.987 177 HB2 TYR 25 1HB TYR 25 -6.152 -8.065 -3.391 178 HB3 TYR 25 2HB TYR 25 -7.316 -7.836 -4.684 179 HD1 TYR 25 1HD TYR 25 -7.188 -5.646 -5.992 180 HD2 TYR 25 2HD TYR 25 -4.131 -6.987 -3.289 181 HE1 TYR 25 1HE TYR 25 -5.575 -4.267 -7.179 182 HE2 TYR 25 2HE TYR 25 -2.433 -5.662 -4.488 183 HH TYR 25 HH TYR 25 -3.429 -3.501 -7.233 184 H GLU 26 H GLU 26 -9.967 -6.454 -4.171 185 HA GLU 26 HA GLU 26 -9.452 -3.819 -5.213 186 HB2 GLU 26 1HB GLU 26 -11.340 -6.124 -5.503 187 HB3 GLU 26 2HB GLU 26 -12.013 -4.570 -5.871 188 HG2 GLU 26 1HG GLU 26 -9.372 -5.512 -7.059 189 HG3 GLU 26 2HG GLU 26 -10.923 -5.883 -7.781 190 H GLU 27 H GLU 27 -11.599 -5.288 -2.800 191 HA GLU 27 HA GLU 27 -13.252 -3.011 -2.321 192 HB2 GLU 27 1HB GLU 27 -12.431 -5.185 -0.349 193 HB3 GLU 27 2HB GLU 27 -13.812 -4.104 -0.192 194 HG2 GLU 27 1HG GLU 27 -13.364 -6.190 -2.349 195 HG3 GLU 27 2HG GLU 27 -14.479 -6.337 -0.979 196 H ILE 28 H ILE 28 -10.243 -4.167 -0.821 197 HA ILE 28 HA ILE 28 -9.937 -2.101 1.093 198 HB ILE 28 HB ILE 28 -7.825 -3.712 -0.394 199 HG12 ILE 28 1HG1 ILE 28 -8.840 -4.382 2.380 200 HG13 ILE 28 2HG1 ILE 28 -9.669 -5.017 0.978 201 HG21 ILE 28 1HG2 ILE 28 -7.781 -1.987 2.092 202 HG22 ILE 28 2HG2 ILE 28 -6.547 -3.250 1.843 203 HG23 ILE 28 3HG2 ILE 28 -6.691 -1.934 0.691 204 HD11 ILE 28 3HD1 ILE 28 -7.571 -6.073 0.193 205 HD12 ILE 28 1HD1 ILE 28 -6.735 -5.449 1.624 206 HD13 ILE 28 2HD1 ILE 28 -8.050 -6.603 1.821 207 H VAL 29 H VAL 29 -9.294 -2.100 -2.400 208 HA VAL 29 HA VAL 29 -7.637 0.310 -2.292 209 HB VAL 29 HB VAL 29 -8.938 -1.279 -4.531 210 HG11 VAL 29 1HG1 VAL 29 -7.708 0.203 -6.102 211 HG12 VAL 29 2HG1 VAL 29 -9.045 1.029 -5.296 212 HG13 VAL 29 3HG1 VAL 29 -7.374 1.314 -4.767 213 HG21 VAL 29 3HG2 VAL 29 -6.672 -1.841 -5.108 214 HG22 VAL 29 1HG2 VAL 29 -6.018 -0.612 -4.007 215 HG23 VAL 29 2HG2 VAL 29 -6.798 -2.072 -3.367 216 H GLU 30 H GLU 30 -11.095 -0.423 -3.198 217 HA GLU 30 HA GLU 30 -11.636 2.352 -3.657 218 HB2 GLU 30 1HB GLU 30 -13.562 0.067 -3.108 219 HB3 GLU 30 2HB GLU 30 -14.013 1.678 -3.679 220 HG2 GLU 30 1HG GLU 30 -11.962 0.765 -5.462 221 HG3 GLU 30 2HG GLU 30 -13.023 -0.613 -5.203 222 H ASP 31 H ASP 31 -12.089 0.274 -0.782 223 HA ASP 31 HA ASP 31 -13.575 2.040 0.802 224 HB2 ASP 31 1HB ASP 31 -12.934 -0.437 1.332 225 HB3 ASP 31 2HB ASP 31 -11.421 0.205 1.907 226 H VAL 32 H VAL 32 -10.136 1.972 0.215 227 HA VAL 32 HA VAL 32 -9.564 4.005 2.307 228 HB VAL 32 HB VAL 32 -7.778 2.324 0.505 229 HG11 VAL 32 1HG1 VAL 32 -7.075 4.139 2.833 230 HG12 VAL 32 2HG1 VAL 32 -5.939 3.020 1.997 231 HG13 VAL 32 3HG1 VAL 32 -6.629 4.388 1.148 232 HG21 VAL 32 3HG2 VAL 32 -7.229 1.071 2.562 233 HG22 VAL 32 1HG2 VAL 32 -8.362 2.076 3.501 234 HG23 VAL 32 2HG2 VAL 32 -8.956 0.970 2.252 235 H ARG 33 H ARG 33 -9.847 3.618 -1.214 236 HA ARG 33 HA ARG 33 -8.600 6.122 -1.845 237 HB2 ARG 33 1HB ARG 33 -8.893 4.207 -3.398 238 HB3 ARG 33 2HB ARG 33 -10.637 4.453 -3.406 239 HG2 ARG 33 1HG ARG 33 -10.426 6.471 -4.655 240 HG3 ARG 33 2HG ARG 33 -8.689 6.590 -4.307 241 HD2 ARG 33 1HD ARG 33 -8.196 4.625 -5.668 242 HD3 ARG 33 2HD ARG 33 -9.929 4.340 -5.955 243 HE ARG 33 HE ARG 33 -9.692 6.838 -6.871 244 HH11 ARG 33 1HH1 ARG 33 -7.489 4.055 -7.646 245 HH12 ARG 33 2HH1 ARG 33 -7.180 4.676 -9.229 246 HH21 ARG 33 1HH2 ARG 33 -9.388 7.374 -9.094 247 HH22 ARG 33 2HH2 ARG 33 -8.087 6.654 -9.956 248 H ASP 34 H ASP 34 -11.941 5.160 -0.984 249 HA ASP 34 HA ASP 34 -13.015 7.827 -1.315 250 HB2 ASP 34 1HB ASP 34 -14.407 5.792 -1.378 251 HB3 ASP 34 2HB ASP 34 -14.087 5.518 0.342 252 H GLU 35 H GLU 35 -11.643 6.051 1.548 253 HA GLU 35 HA GLU 35 -12.403 8.101 3.389 254 HB2 GLU 35 1HB GLU 35 -11.419 7.134 5.023 255 HB3 GLU 35 2HB GLU 35 -11.815 5.778 3.971 256 HG2 GLU 35 1HG GLU 35 -9.804 5.243 4.772 257 HG3 GLU 35 2HG GLU 35 -9.280 5.996 3.247 258 H CYS 36 H CYS 36 -9.283 7.493 1.761 259 HA CYS 36 HA CYS 36 -8.056 9.757 2.901 260 HB2 CYS 36 1HB CYS 36 -7.075 7.622 2.039 261 HB3 CYS 36 2HB CYS 36 -7.241 8.261 0.402 262 HG CYS 36 HG CYS 36 -4.781 8.379 1.237 263 H SER 37 H SER 37 -10.178 9.476 0.214 264 HA SER 37 HA SER 37 -9.827 11.830 -1.299 265 HB2 SER 37 1HB SER 37 -11.645 9.742 -1.147 266 HB3 SER 37 2HB SER 37 -12.596 11.058 -0.504 267 HG SER 37 HG SER 37 -12.936 11.003 -2.592 268 H LYS 38 H LYS 38 -10.792 11.486 2.097 269 HA LYS 38 HA LYS 38 -12.453 13.819 2.260 270 HB2 LYS 38 1HB LYS 38 -10.984 12.106 4.290 271 HB3 LYS 38 2HB LYS 38 -11.967 13.488 4.762 272 HG2 LYS 38 1HG LYS 38 -13.916 12.635 3.734 273 HG3 LYS 38 2HG LYS 38 -13.084 11.282 2.972 274 HD2 LYS 38 1HD LYS 38 -12.785 10.096 4.931 275 HD3 LYS 38 2HD LYS 38 -12.936 11.506 5.980 276 HE2 LYS 38 1HE LYS 38 -15.251 10.300 4.384 277 HE3 LYS 38 2HE LYS 38 -14.872 9.903 6.067 278 HZ1 LYS 38 3HZ LYS 38 -16.321 11.587 6.387 279 HZ2 LYS 38 1HZ LYS 38 -15.969 12.369 4.986 280 HZ3 LYS 38 2HZ LYS 38 -14.956 12.507 6.268 281 H TYR 39 H TYR 39 -9.125 13.682 1.864 282 HA TYR 39 HA TYR 39 -8.821 16.458 2.980 283 HB2 TYR 39 1HB TYR 39 -6.680 14.317 2.920 284 HB3 TYR 39 2HB TYR 39 -6.626 15.874 3.745 285 HD1 TYR 39 2HD TYR 39 -8.020 16.274 5.783 286 HD2 TYR 39 1HD TYR 39 -7.866 12.428 3.850 287 HE1 TYR 39 2HE TYR 39 -9.039 15.212 7.814 288 HE2 TYR 39 1HE TYR 39 -8.915 11.398 5.787 289 HH TYR 39 HH TYR 39 -10.296 13.143 8.485 290 H GLY 40 H GLY 40 -8.932 14.941 0.019 291 HA2 GLY 40 1HA GLY 40 -7.522 16.834 -1.515 292 HA3 GLY 40 2HA GLY 40 -6.428 15.492 -1.120 293 H LEU 41 H LEU 41 -6.352 14.505 -3.090 294 HA LEU 41 HA LEU 41 -8.670 12.887 -3.846 295 HB2 LEU 41 1HB LEU 41 -8.769 14.840 -5.299 296 HB3 LEU 41 2HB LEU 41 -7.053 14.706 -5.660 297 HG LEU 41 HG LEU 41 -8.746 13.995 -7.411 298 HD11 LEU 41 1HD1 LEU 41 -6.889 13.311 -8.349 299 HD12 LEU 41 2HD1 LEU 41 -7.204 11.715 -7.714 300 HD13 LEU 41 3HD1 LEU 41 -6.156 12.812 -6.821 301 HD21 LEU 41 3HD2 LEU 41 -10.180 12.662 -5.943 302 HD22 LEU 41 1HD2 LEU 41 -8.906 11.435 -5.791 303 HD23 LEU 41 2HD2 LEU 41 -9.655 11.758 -7.362 304 H VAL 42 H VAL 42 -7.916 10.852 -3.886 305 HA VAL 42 HA VAL 42 -5.073 10.195 -3.907 306 HB VAL 42 HB VAL 42 -7.593 8.514 -3.967 307 HG11 VAL 42 1HG1 VAL 42 -6.042 6.636 -3.306 308 HG12 VAL 42 2HG1 VAL 42 -5.811 7.203 -4.966 309 HG13 VAL 42 3HG1 VAL 42 -4.671 7.700 -3.694 310 HG21 VAL 42 3HG2 VAL 42 -5.688 9.024 -1.659 311 HG22 VAL 42 1HG2 VAL 42 -7.302 9.757 -1.834 312 HG23 VAL 42 2HG2 VAL 42 -7.154 8.015 -1.671 313 H LYS 43 H LYS 43 -4.020 9.982 -5.735 314 HA LYS 43 HA LYS 43 -5.368 10.198 -8.330 315 HB2 LYS 43 1HB LYS 43 -3.216 11.379 -7.597 316 HB3 LYS 43 2HB LYS 43 -2.389 9.826 -7.785 317 HG2 LYS 43 1HG LYS 43 -3.070 9.737 -10.145 318 HG3 LYS 43 2HG LYS 43 -4.055 11.207 -9.930 319 HD2 LYS 43 1HD LYS 43 -1.995 12.494 -9.373 320 HD3 LYS 43 2HD LYS 43 -1.032 11.029 -9.662 321 HE2 LYS 43 1HE LYS 43 -1.996 10.922 -11.983 322 HE3 LYS 43 2HE LYS 43 -2.809 12.472 -11.689 323 HZ1 LYS 43 3HZ LYS 43 0.086 11.950 -11.621 324 HZ2 LYS 43 1HZ LYS 43 -0.585 13.430 -11.295 325 HZ3 LYS 43 2HZ LYS 43 -0.677 12.743 -12.819 326 H SER 44 H SER 44 -3.092 7.813 -6.810 327 HA SER 44 HA SER 44 -4.715 5.601 -7.692 328 HB2 SER 44 1HB SER 44 -2.347 6.461 -9.247 329 HB3 SER 44 2HB SER 44 -2.183 4.807 -8.636 330 HG SER 44 HG SER 44 -3.263 5.054 -10.690 331 H ILE 45 H ILE 45 -3.518 3.489 -6.975 332 HA ILE 45 HA ILE 45 -1.886 3.908 -4.558 333 HB ILE 45 HB ILE 45 -4.386 2.176 -4.700 334 HG12 ILE 45 1HG1 ILE 45 -4.082 4.375 -2.644 335 HG13 ILE 45 2HG1 ILE 45 -4.516 4.831 -4.269 336 HG21 ILE 45 1HG2 ILE 45 -3.919 1.720 -2.304 337 HG22 ILE 45 2HG2 ILE 45 -2.539 1.242 -3.303 338 HG23 ILE 45 3HG2 ILE 45 -2.475 2.754 -2.392 339 HD11 ILE 45 3HD1 ILE 45 -6.036 2.748 -2.636 340 HD12 ILE 45 1HD1 ILE 45 -6.518 4.442 -2.834 341 HD13 ILE 45 2HD1 ILE 45 -6.481 3.375 -4.245 342 H GLU 46 H GLU 46 -0.203 2.742 -4.848 343 HA GLU 46 HA GLU 46 -0.133 0.408 -6.737 344 HB2 GLU 46 1HB GLU 46 1.600 2.127 -7.022 345 HB3 GLU 46 2HB GLU 46 2.101 1.918 -5.339 346 HG2 GLU 46 1HG GLU 46 3.676 0.791 -6.725 347 HG3 GLU 46 2HG GLU 46 2.752 -0.438 -5.846 348 H ILE 47 H ILE 47 -0.437 -1.635 -5.872 349 HA ILE 47 HA ILE 47 0.399 -2.252 -3.115 350 HB ILE 47 HB ILE 47 -2.198 -3.175 -4.400 351 HG12 ILE 47 1HG1 ILE 47 -1.788 -0.903 -2.452 352 HG13 ILE 47 2HG1 ILE 47 -2.501 -0.858 -4.074 353 HG21 ILE 47 1HG2 ILE 47 -1.056 -4.664 -2.672 354 HG22 ILE 47 2HG2 ILE 47 -1.309 -3.359 -1.496 355 HG23 ILE 47 3HG2 ILE 47 -2.690 -4.159 -2.261 356 HD11 ILE 47 3HD1 ILE 47 -3.728 -2.191 -1.646 357 HD12 ILE 47 1HD1 ILE 47 -4.266 -0.723 -2.462 358 HD13 ILE 47 2HD1 ILE 47 -4.357 -2.294 -3.301 359 HA PRO 48 HA PRO 48 2.151 -5.043 -6.373 360 HB2 PRO 48 1HB PRO 48 4.371 -5.827 -4.905 361 HB3 PRO 48 2HB PRO 48 4.305 -4.388 -5.964 362 HG2 PRO 48 1HG PRO 48 4.058 -4.543 -2.969 363 HG3 PRO 48 2HG PRO 48 4.858 -3.300 -3.953 364 HD2 PRO 48 1HD PRO 48 2.366 -3.006 -2.856 365 HD3 PRO 48 2HD PRO 48 2.873 -2.179 -4.347 366 H ARG 49 H ARG 49 2.221 -7.457 -6.393 367 HA ARG 49 HA ARG 49 1.091 -8.722 -3.954 368 HB2 ARG 49 1HB ARG 49 0.701 -9.084 -6.931 369 HB3 ARG 49 2HB ARG 49 0.148 -10.253 -5.800 370 HG2 ARG 49 1HG ARG 49 -1.700 -9.079 -5.248 371 HG3 ARG 49 2HG ARG 49 -0.810 -7.557 -5.082 372 HD2 ARG 49 1HD ARG 49 -2.381 -7.238 -6.835 373 HD3 ARG 49 2HD ARG 49 -0.795 -7.426 -7.609 374 HE ARG 49 HE ARG 49 -2.322 -9.901 -7.299 375 HH11 ARG 49 1HH1 ARG 49 -1.808 -7.213 -9.551 376 HH12 ARG 49 2HH1 ARG 49 -2.617 -8.017 -10.868 377 HH21 ARG 49 1HH2 ARG 49 -3.308 -10.877 -8.871 378 HH22 ARG 49 2HH2 ARG 49 -3.693 -10.138 -10.414 379 HA PRO 50 HA PRO 50 4.518 -11.668 -4.395 380 HB2 PRO 50 1HB PRO 50 3.456 -13.951 -3.421 381 HB3 PRO 50 2HB PRO 50 3.849 -12.545 -2.409 382 HG2 PRO 50 1HG PRO 50 1.169 -13.444 -3.407 383 HG3 PRO 50 2HG PRO 50 1.574 -12.725 -1.817 384 HD2 PRO 50 1HD PRO 50 0.487 -11.382 -4.026 385 HD3 PRO 50 2HD PRO 50 1.341 -10.558 -2.698 386 H VAL 51 H VAL 51 5.217 -12.562 -6.095 387 HA VAL 51 HA VAL 51 3.499 -13.310 -8.368 388 HB VAL 51 HB VAL 51 6.517 -13.584 -8.025 389 HG11 VAL 51 1HG1 VAL 51 6.525 -13.635 -10.535 390 HG12 VAL 51 2HG1 VAL 51 5.737 -15.043 -9.802 391 HG13 VAL 51 3HG1 VAL 51 4.753 -13.738 -10.488 392 HG21 VAL 51 3HG2 VAL 51 4.884 -11.374 -9.363 393 HG22 VAL 51 1HG2 VAL 51 5.847 -11.206 -7.875 394 HG23 VAL 51 2HG2 VAL 51 6.657 -11.532 -9.407 395 H ASP 52 H ASP 52 2.405 -15.230 -8.167 396 HA ASP 52 HA ASP 52 1.874 -17.310 -7.576 397 HB2 ASP 52 1HB ASP 52 3.612 -17.458 -9.470 398 HB3 ASP 52 2HB ASP 52 4.734 -18.025 -8.246 399 H GLY 53 H GLY 53 2.876 -15.733 -5.458 400 HA2 GLY 53 1HA GLY 53 2.907 -16.021 -3.139 401 HA3 GLY 53 2HA GLY 53 3.075 -17.774 -3.338 402 H VAL 54 H VAL 54 5.425 -15.955 -5.129 403 HA VAL 54 HA VAL 54 7.600 -16.605 -3.381 404 HB VAL 54 HB VAL 54 7.478 -16.084 -5.946 405 HG11 VAL 54 1HG1 VAL 54 8.193 -13.352 -4.951 406 HG12 VAL 54 2HG1 VAL 54 8.113 -13.912 -6.621 407 HG13 VAL 54 3HG1 VAL 54 6.625 -13.832 -5.609 408 HG21 VAL 54 3HG2 VAL 54 9.852 -15.629 -6.016 409 HG22 VAL 54 1HG2 VAL 54 9.856 -15.179 -4.303 410 HG23 VAL 54 2HG2 VAL 54 9.487 -16.856 -4.785 411 H GLU 55 H GLU 55 9.033 -15.069 -2.390 412 HA GLU 55 HA GLU 55 7.812 -12.624 -1.265 413 HB2 GLU 55 1HB GLU 55 9.658 -12.286 0.053 414 HB3 GLU 55 2HB GLU 55 9.194 -13.990 0.218 415 HG2 GLU 55 1HG GLU 55 10.948 -14.258 -1.794 416 HG3 GLU 55 2HG GLU 55 11.571 -12.750 -1.148 417 H VAL 56 H VAL 56 7.962 -10.783 -2.373 418 HA VAL 56 HA VAL 56 10.247 -10.292 -4.219 419 HB VAL 56 HB VAL 56 8.378 -8.421 -4.898 420 HG11 VAL 56 1HG1 VAL 56 8.654 -11.228 -6.064 421 HG12 VAL 56 2HG1 VAL 56 7.942 -9.845 -6.912 422 HG13 VAL 56 3HG1 VAL 56 9.654 -9.831 -6.481 423 HG21 VAL 56 3HG2 VAL 56 6.702 -10.881 -4.401 424 HG22 VAL 56 1HG2 VAL 56 6.594 -9.300 -3.560 425 HG23 VAL 56 2HG2 VAL 56 6.233 -9.428 -5.282 426 HA PRO 57 HA PRO 57 11.306 -6.914 -1.559 427 HB2 PRO 57 1HB PRO 57 12.359 -5.031 -3.216 428 HB3 PRO 57 2HB PRO 57 13.177 -6.594 -2.909 429 HG2 PRO 57 1HG PRO 57 11.375 -5.870 -5.246 430 HG3 PRO 57 2HG PRO 57 12.996 -6.615 -5.295 431 HD2 PRO 57 1HD PRO 57 10.717 -8.103 -5.421 432 HD3 PRO 57 2HD PRO 57 12.143 -8.715 -4.533 433 H GLY 58 H GLY 58 10.056 -5.425 -0.647 434 HA2 GLY 58 1HA GLY 58 8.842 -3.423 -0.486 435 HA3 GLY 58 2HA GLY 58 8.590 -3.414 -2.232 436 H CYS 59 H CYS 59 7.887 -6.499 -1.086 437 HA CYS 59 HA CYS 59 5.055 -6.093 -1.342 438 HB2 CYS 59 1HB CYS 59 6.665 -8.270 -1.711 439 HB3 CYS 59 2HB CYS 59 6.250 -8.541 -0.020 440 HG CYS 59 HG CYS 59 4.748 -9.940 -1.681 441 H GLY 60 H GLY 60 3.515 -5.999 0.261 442 HA2 GLY 60 1HA GLY 60 2.701 -6.191 2.507 443 HA3 GLY 60 2HA GLY 60 4.318 -5.865 3.127 444 H LYS 61 H LYS 61 4.539 -3.637 0.942 445 HA LYS 61 HA LYS 61 3.371 -1.551 2.716 446 HB2 LYS 61 1HB LYS 61 5.422 -1.183 0.496 447 HB3 LYS 61 2HB LYS 61 4.950 -0.040 1.745 448 HG2 LYS 61 1HG LYS 61 6.893 -0.739 2.673 449 HG3 LYS 61 2HG LYS 61 5.843 -1.962 3.399 450 HD2 LYS 61 1HD LYS 61 6.499 -3.577 1.590 451 HD3 LYS 61 2HD LYS 61 7.446 -2.302 0.812 452 HE2 LYS 61 1HE LYS 61 9.211 -2.571 2.158 453 HE3 LYS 61 2HE LYS 61 8.217 -2.589 3.617 454 HZ1 LYS 61 3HZ LYS 61 7.814 -4.885 3.326 455 HZ2 LYS 61 1HZ LYS 61 9.437 -4.656 3.208 456 HZ3 LYS 61 2HZ LYS 61 8.575 -4.947 1.863 457 H ILE 62 H ILE 62 2.353 0.323 1.679 458 HA ILE 62 HA ILE 62 1.302 -0.121 -1.062 459 HB ILE 62 HB ILE 62 -0.166 0.742 1.466 460 HG12 ILE 62 1HG1 ILE 62 -0.493 -1.407 -0.661 461 HG13 ILE 62 2HG1 ILE 62 -0.218 -1.622 1.061 462 HG21 ILE 62 1HG2 ILE 62 -2.052 1.463 0.034 463 HG22 ILE 62 2HG2 ILE 62 -0.647 2.458 -0.246 464 HG23 ILE 62 3HG2 ILE 62 -1.044 1.169 -1.409 465 HD11 ILE 62 3HD1 ILE 62 -2.501 -0.665 1.494 466 HD12 ILE 62 1HD1 ILE 62 -2.772 -0.619 -0.248 467 HD13 ILE 62 2HD1 ILE 62 -2.523 -2.169 0.539 468 H PHE 63 H PHE 63 1.438 1.718 -2.321 469 HA PHE 63 HA PHE 63 2.470 4.203 -1.019 470 HB2 PHE 63 1HB PHE 63 3.058 3.198 -3.807 471 HB3 PHE 63 2HB PHE 63 3.675 4.667 -3.066 472 HD1 PHE 63 2HD PHE 63 3.705 0.956 -2.980 473 HD2 PHE 63 1HD PHE 63 5.526 4.537 -1.392 474 HE1 PHE 63 2HE PHE 63 5.368 -0.416 -1.821 475 HE2 PHE 63 1HE PHE 63 7.267 3.147 -0.302 476 HZ PHE 63 HZ PHE 63 7.220 0.676 -0.508 477 H VAL 64 H VAL 64 0.780 5.488 -0.846 478 HA VAL 64 HA VAL 64 -1.414 5.469 -2.843 479 HB VAL 64 HB VAL 64 -1.992 5.442 -0.469 480 HG11 VAL 64 1HG1 VAL 64 -1.585 7.444 0.985 481 HG12 VAL 64 2HG1 VAL 64 -0.116 6.547 0.570 482 HG13 VAL 64 3HG1 VAL 64 -0.503 8.079 -0.248 483 HG21 VAL 64 3HG2 VAL 64 -3.538 6.610 -1.974 484 HG22 VAL 64 1HG2 VAL 64 -3.582 7.184 -0.303 485 HG23 VAL 64 2HG2 VAL 64 -2.760 8.157 -1.557 486 H GLU 65 H GLU 65 -1.777 7.418 -4.081 487 HA GLU 65 HA GLU 65 0.497 9.337 -4.237 488 HB2 GLU 65 1HB GLU 65 0.196 7.369 -5.954 489 HB3 GLU 65 2HB GLU 65 -1.220 8.266 -6.491 490 HG2 GLU 65 1HG GLU 65 0.583 10.248 -6.753 491 HG3 GLU 65 2HG GLU 65 1.724 8.925 -6.713 492 H PHE 66 H PHE 66 -0.194 11.497 -4.799 493 HA PHE 66 HA PHE 66 -3.153 11.976 -4.833 494 HB2 PHE 66 1HB PHE 66 -1.186 13.685 -3.282 495 HB3 PHE 66 2HB PHE 66 -2.909 13.951 -3.447 496 HD1 PHE 66 2HD PHE 66 -4.577 12.505 -2.233 497 HD2 PHE 66 1HD PHE 66 -0.336 12.097 -1.734 498 HE1 PHE 66 2HE PHE 66 -4.961 11.347 -0.115 499 HE2 PHE 66 1HE PHE 66 -0.713 10.903 0.440 500 HZ PHE 66 HZ PHE 66 -3.017 10.516 1.233 501 H THR 67 H THR 67 -3.569 14.363 -5.496 502 HA THR 67 HA THR 67 -2.224 14.847 -7.990 503 HB THR 67 HB THR 67 -3.852 16.937 -7.765 504 HG1 THR 67 1HG THR 67 -4.376 16.590 -5.498 505 HG21 THR 67 3HG2 THR 67 -4.144 15.080 -9.308 506 HG22 THR 67 1HG2 THR 67 -5.702 15.374 -8.499 507 HG23 THR 67 2HG2 THR 67 -4.676 14.012 -8.004 508 H SER 68 H SER 68 -1.638 16.103 -4.715 509 HA SER 68 HA SER 68 0.527 17.667 -5.884 510 HB2 SER 68 1HB SER 68 -0.134 19.767 -4.877 511 HB3 SER 68 2HB SER 68 -1.416 19.211 -5.961 512 HG SER 68 HG SER 68 -2.588 18.490 -4.180 513 H VAL 69 H VAL 69 2.054 18.389 -4.308 514 HA VAL 69 HA VAL 69 2.436 16.740 -2.043 515 HB VAL 69 HB VAL 69 3.689 19.451 -2.567 516 HG11 VAL 69 1HG1 VAL 69 5.700 18.334 -1.481 517 HG12 VAL 69 2HG1 VAL 69 4.337 18.510 -0.388 518 HG13 VAL 69 3HG1 VAL 69 4.668 16.931 -1.131 519 HG21 VAL 69 3HG2 VAL 69 3.935 18.061 -4.643 520 HG22 VAL 69 1HG2 VAL 69 5.470 18.259 -3.815 521 HG23 VAL 69 2HG2 VAL 69 4.593 16.741 -3.643 522 H PHE 70 H PHE 70 0.292 19.413 -2.485 523 HA PHE 70 HA PHE 70 0.251 20.330 0.319 524 HB2 PHE 70 1HB PHE 70 -1.283 20.931 -2.205 525 HB3 PHE 70 2HB PHE 70 -2.026 21.284 -0.653 526 HD1 PHE 70 2HD PHE 70 1.083 21.945 -2.671 527 HD2 PHE 70 1HD PHE 70 -1.502 23.263 0.537 528 HE1 PHE 70 2HE PHE 70 2.326 24.075 -2.533 529 HE2 PHE 70 1HE PHE 70 -0.236 25.394 0.662 530 HZ PHE 70 HZ PHE 70 1.680 25.789 -0.883 531 H ASP 71 H ASP 71 -1.740 18.343 -1.913 532 HA ASP 71 HA ASP 71 -3.837 17.789 -0.114 533 HB2 ASP 71 1HB ASP 71 -2.775 16.014 -2.347 534 HB3 ASP 71 2HB ASP 71 -4.339 15.851 -1.572 535 H CYS 72 H CYS 72 -0.743 16.117 -0.641 536 HA CYS 72 HA CYS 72 -1.365 13.855 0.970 537 HB2 CYS 72 1HB CYS 72 0.981 13.293 0.722 538 HB3 CYS 72 2HB CYS 72 0.375 13.888 -0.815 539 HG CYS 72 HG CYS 72 2.898 14.586 -0.346 540 H GLN 73 H GLN 73 0.354 16.924 1.625 541 HA GLN 73 HA GLN 73 1.124 16.491 4.297 542 HB2 GLN 73 1HB GLN 73 0.593 18.862 2.529 543 HB3 GLN 73 2HB GLN 73 0.605 19.166 4.252 544 HG2 GLN 73 1HG GLN 73 2.860 18.328 4.467 545 HG3 GLN 73 2HG GLN 73 2.874 17.754 2.795 546 HE21 GLN 73 1HE2 GLN 73 3.096 19.259 1.127 547 HE22 GLN 73 2HE2 GLN 73 3.533 20.941 1.349 548 H LYS 74 H LYS 74 -2.124 17.264 2.971 549 HA LYS 74 HA LYS 74 -3.171 17.781 5.653 550 HB2 LYS 74 1HB LYS 74 -4.896 17.292 3.212 551 HB3 LYS 74 2HB LYS 74 -5.177 18.276 4.630 552 HG2 LYS 74 1HG LYS 74 -2.958 19.539 3.525 553 HG3 LYS 74 2HG LYS 74 -3.802 18.923 2.097 554 HD2 LYS 74 1HD LYS 74 -5.878 20.111 2.992 555 HD3 LYS 74 2HD LYS 74 -4.867 20.761 4.296 556 HE2 LYS 74 1HE LYS 74 -3.328 21.755 2.574 557 HE3 LYS 74 2HE LYS 74 -4.418 21.159 1.297 558 HZ1 LYS 74 3HZ LYS 74 -6.165 22.574 2.284 559 HZ2 LYS 74 1HZ LYS 74 -4.866 23.436 1.786 560 HZ3 LYS 74 2HZ LYS 74 -5.079 23.157 3.381 561 H ALA 75 H ALA 75 -3.412 15.176 3.172 562 HA ALA 75 HA ALA 75 -5.114 13.418 4.610 563 HB1 ALA 75 1HB ALA 75 -2.815 12.796 2.689 564 HB2 ALA 75 2HB ALA 75 -4.079 11.659 3.192 565 HB3 ALA 75 3HB ALA 75 -4.511 13.094 2.240 566 H MET 76 H MET 76 -1.521 13.648 4.617 567 HA MET 76 HA MET 76 -0.728 11.580 6.134 568 HB2 MET 76 1HB MET 76 0.839 13.016 5.075 569 HB3 MET 76 2HB MET 76 0.240 14.450 5.917 570 HG2 MET 76 1HG MET 76 2.376 13.848 6.788 571 HG3 MET 76 2HG MET 76 1.162 13.636 8.029 572 HE1 MET 76 3HE MET 76 4.034 10.629 6.291 573 HE2 MET 76 1HE MET 76 3.577 12.214 5.614 574 HE3 MET 76 2HE MET 76 4.398 12.128 7.176 575 H GLN 77 H GLN 77 -1.020 14.787 7.753 576 HA GLN 77 HA GLN 77 -1.199 13.442 10.285 577 HB2 GLN 77 1HB GLN 77 -1.812 16.377 9.660 578 HB3 GLN 77 2HB GLN 77 -1.486 15.686 11.252 579 HG2 GLN 77 1HG GLN 77 0.786 14.918 10.220 580 HG3 GLN 77 2HG GLN 77 0.436 16.090 8.936 581 HE21 GLN 77 1HE2 GLN 77 0.705 18.385 9.438 582 HE22 GLN 77 2HE2 GLN 77 1.161 18.913 11.043 583 H GLY 78 H GLY 78 -3.716 13.844 8.035 584 HA2 GLY 78 1HA GLY 78 -5.929 13.913 9.972 585 HA3 GLY 78 2HA GLY 78 -5.992 13.465 8.261 586 H LEU 79 H LEU 79 -3.836 11.572 8.331 587 HA LEU 79 HA LEU 79 -5.478 9.299 9.279 588 HB2 LEU 79 1HB LEU 79 -3.998 9.786 6.678 589 HB3 LEU 79 2HB LEU 79 -4.928 8.348 7.070 590 HG LEU 79 HG LEU 79 -6.161 11.141 6.937 591 HD11 LEU 79 1HD1 LEU 79 -5.908 8.990 4.844 592 HD12 LEU 79 2HD1 LEU 79 -5.555 10.717 4.720 593 HD13 LEU 79 3HD1 LEU 79 -7.236 10.125 4.834 594 HD21 LEU 79 3HD2 LEU 79 -7.516 9.811 8.343 595 HD22 LEU 79 1HD2 LEU 79 -7.290 8.353 7.313 596 HD23 LEU 79 2HD2 LEU 79 -8.264 9.653 6.761 597 H THR 80 H THR 80 -2.360 10.576 9.684 598 HA THR 80 HA THR 80 -0.834 8.313 10.253 599 HB THR 80 HB THR 80 -1.140 11.031 11.524 600 HG1 THR 80 1HG THR 80 1.218 10.792 10.696 601 HG21 THR 80 3HG2 THR 80 -0.469 9.630 13.417 602 HG22 THR 80 1HG2 THR 80 0.875 10.624 12.881 603 HG23 THR 80 2HG2 THR 80 0.819 8.902 12.449 604 H GLY 81 H GLY 81 -1.327 6.517 11.470 605 HA2 GLY 81 1HA GLY 81 -1.972 5.317 13.327 606 HA3 GLY 81 2HA GLY 81 -2.481 6.824 14.097 607 H ARG 82 H ARG 82 -3.991 6.430 10.959 608 HA ARG 82 HA ARG 82 -6.494 5.861 12.280 609 HB2 ARG 82 1HB ARG 82 -5.603 6.571 9.496 610 HB3 ARG 82 2HB ARG 82 -7.072 5.648 9.583 611 HG2 ARG 82 1HG ARG 82 -6.607 8.256 11.070 612 HG3 ARG 82 2HG ARG 82 -7.545 8.007 9.590 613 HD2 ARG 82 1HD ARG 82 -8.988 6.356 10.869 614 HD3 ARG 82 2HD ARG 82 -8.203 6.932 12.342 615 HE ARG 82 HE ARG 82 -10.158 8.263 10.694 616 HH11 ARG 82 1HH1 ARG 82 -7.735 8.804 13.266 617 HH12 ARG 82 2HH1 ARG 82 -8.319 10.385 13.641 618 HH21 ARG 82 1HH2 ARG 82 -10.969 10.161 11.242 619 HH22 ARG 82 2HH2 ARG 82 -10.295 11.213 12.483 620 H LYS 83 H LYS 83 -7.922 4.249 10.781 621 HA LYS 83 HA LYS 83 -6.605 1.620 10.999 622 HB2 LYS 83 1HB LYS 83 -9.442 2.358 11.824 623 HB3 LYS 83 2HB LYS 83 -8.808 0.707 11.765 624 HG2 LYS 83 1HG LYS 83 -7.357 1.053 13.617 625 HG3 LYS 83 2HG LYS 83 -7.448 2.817 13.474 626 HD2 LYS 83 1HD LYS 83 -9.854 2.722 14.076 627 HD3 LYS 83 2HD LYS 83 -9.733 0.960 14.230 628 HE2 LYS 83 1HE LYS 83 -8.184 1.184 16.091 629 HE3 LYS 83 2HE LYS 83 -8.136 2.941 15.906 630 HZ1 LYS 83 3HZ LYS 83 -10.677 1.538 16.426 631 HZ2 LYS 83 1HZ LYS 83 -10.345 3.109 16.674 632 HZ3 LYS 83 2HZ LYS 83 -9.669 1.969 17.656 633 H PHE 84 H PHE 84 -6.231 1.345 8.921 634 HA PHE 84 HA PHE 84 -8.385 1.888 6.885 635 HB2 PHE 84 1HB PHE 84 -5.436 1.245 6.598 636 HB3 PHE 84 2HB PHE 84 -6.560 1.278 5.258 637 HD1 PHE 84 2HD PHE 84 -7.030 4.044 7.703 638 HD2 PHE 84 1HD PHE 84 -5.104 2.759 4.072 639 HE1 PHE 84 2HE PHE 84 -6.532 6.368 7.109 640 HE2 PHE 84 1HE PHE 84 -4.575 5.120 3.501 641 HZ PHE 84 HZ PHE 84 -5.311 6.920 5.024 642 H ALA 85 H ALA 85 -9.014 0.019 8.684 643 HA ALA 85 HA ALA 85 -10.135 -1.968 7.449 644 HB1 ALA 85 1HB ALA 85 -7.398 -3.031 8.300 645 HB2 ALA 85 2HB ALA 85 -8.827 -4.074 8.116 646 HB3 ALA 85 3HB ALA 85 -8.209 -3.183 6.737 647 H ASN 86 H ASN 86 -8.167 -2.971 10.075 648 HA ASN 86 HA ASN 86 -10.069 -2.171 12.222 649 HB2 ASN 86 1HB ASN 86 -9.529 -4.899 11.088 650 HB3 ASN 86 2HB ASN 86 -9.479 -4.779 12.846 651 HD21 ASN 86 1HD2 ASN 86 -11.660 -5.367 10.286 652 HD22 ASN 86 2HD2 ASN 86 -13.087 -4.800 11.083 653 H ARG 87 H ARG 87 -6.838 -2.370 11.167 654 HA ARG 87 HA ARG 87 -5.744 -2.545 13.919 655 HB2 ARG 87 1HB ARG 87 -4.575 -3.188 11.185 656 HB3 ARG 87 2HB ARG 87 -3.709 -3.323 12.731 657 HG2 ARG 87 1HG ARG 87 -5.321 -4.985 13.512 658 HG3 ARG 87 2HG ARG 87 -6.171 -4.928 11.982 659 HD2 ARG 87 1HD ARG 87 -4.582 -6.179 10.851 660 HD3 ARG 87 2HD ARG 87 -3.278 -5.352 11.676 661 HE ARG 87 HE ARG 87 -2.996 -7.023 13.045 662 HH11 ARG 87 1HH1 ARG 87 -6.294 -7.315 11.792 663 HH12 ARG 87 2HH1 ARG 87 -6.647 -8.814 12.578 664 HH21 ARG 87 1HH2 ARG 87 -3.375 -9.044 14.005 665 HH22 ARG 87 2HH2 ARG 87 -4.962 -9.748 14.072 666 H VAL 88 H VAL 88 -3.299 -1.441 13.561 667 HA VAL 88 HA VAL 88 -4.035 1.390 13.332 668 HB VAL 88 HB VAL 88 -1.229 0.429 13.897 669 HG11 VAL 88 1HG1 VAL 88 -1.500 2.835 13.799 670 HG12 VAL 88 2HG1 VAL 88 -2.922 2.775 14.868 671 HG13 VAL 88 3HG1 VAL 88 -1.303 2.400 15.477 672 HG21 VAL 88 3HG2 VAL 88 -3.432 0.399 15.997 673 HG22 VAL 88 1HG2 VAL 88 -2.531 -1.010 15.416 674 HG23 VAL 88 2HG2 VAL 88 -1.704 0.250 16.321 675 H VAL 89 H VAL 89 -2.586 2.900 12.063 676 HA VAL 89 HA VAL 89 -1.230 1.659 9.740 677 HB VAL 89 HB VAL 89 -3.218 3.944 9.806 678 HG11 VAL 89 1HG1 VAL 89 -2.734 4.313 7.408 679 HG12 VAL 89 2HG1 VAL 89 -1.455 4.852 8.486 680 HG13 VAL 89 3HG1 VAL 89 -1.250 3.337 7.577 681 HG21 VAL 89 3HG2 VAL 89 -4.136 1.645 9.461 682 HG22 VAL 89 1HG2 VAL 89 -4.254 2.589 7.973 683 HG23 VAL 89 2HG2 VAL 89 -2.992 1.348 8.135 684 H VAL 90 H VAL 90 0.788 2.447 9.308 685 HA VAL 90 HA VAL 90 1.719 4.898 10.669 686 HB VAL 90 HB VAL 90 4.021 3.892 10.042 687 HG11 VAL 90 1HG1 VAL 90 4.208 2.810 12.257 688 HG12 VAL 90 2HG1 VAL 90 3.375 4.377 12.330 689 HG13 VAL 90 3HG1 VAL 90 2.423 2.868 12.421 690 HG21 VAL 90 3HG2 VAL 90 4.291 1.553 10.025 691 HG22 VAL 90 1HG2 VAL 90 2.645 1.259 10.583 692 HG23 VAL 90 2HG2 VAL 90 2.908 1.858 8.950 693 H THR 91 H THR 91 2.595 6.384 9.426 694 HA THR 91 HA THR 91 2.362 6.176 6.494 695 HB THR 91 HB THR 91 2.215 8.742 6.813 696 HG1 THR 91 1HG THR 91 1.389 9.358 8.872 697 HG21 THR 91 3HG2 THR 91 -0.216 8.712 7.281 698 HG22 THR 91 1HG2 THR 91 -0.095 7.024 7.826 699 HG23 THR 91 2HG2 THR 91 0.248 7.449 6.139 700 H LYS 92 H LYS 92 4.086 7.211 5.315 701 HA LYS 92 HA LYS 92 6.339 8.451 6.763 702 HB2 LYS 92 1HB LYS 92 6.393 5.805 5.372 703 HB3 LYS 92 2HB LYS 92 7.545 6.960 4.726 704 HG2 LYS 92 1HG LYS 92 8.482 7.257 7.047 705 HG3 LYS 92 2HG LYS 92 7.413 5.935 7.590 706 HD2 LYS 92 1HD LYS 92 8.396 4.462 5.813 707 HD3 LYS 92 2HD LYS 92 9.434 5.805 5.310 708 HE2 LYS 92 1HE LYS 92 10.521 5.769 7.561 709 HE3 LYS 92 2HE LYS 92 9.556 4.330 7.967 710 HZ1 LYS 92 3HZ LYS 92 11.430 4.534 5.683 711 HZ2 LYS 92 1HZ LYS 92 10.577 3.213 6.066 712 HZ3 LYS 92 2HZ LYS 92 11.760 3.729 7.082 713 H TYR 93 H TYR 93 7.271 10.070 5.333 714 HA TYR 93 HA TYR 93 6.008 10.481 2.699 715 HB2 TYR 93 1HB TYR 93 8.465 11.698 4.032 716 HB3 TYR 93 2HB TYR 93 7.924 12.088 2.407 717 HD1 TYR 93 1HD TYR 93 4.970 12.420 2.675 718 HD2 TYR 93 2HD TYR 93 8.215 13.729 5.214 719 HE1 TYR 93 1HE TYR 93 3.661 14.350 3.302 720 HE2 TYR 93 2HE TYR 93 6.821 15.646 5.956 721 HH TYR 93 HH TYR 93 3.494 16.103 5.238 722 H CYS 94 H CYS 94 7.137 10.021 0.755 723 HA CYS 94 HA CYS 94 9.521 8.298 0.870 724 HB2 CYS 94 1HB CYS 94 6.793 7.519 -0.038 725 HB3 CYS 94 2HB CYS 94 7.996 7.288 -1.287 726 HG CYS 94 HG CYS 94 9.652 5.828 -0.014 727 H ASP 95 H ASP 95 9.767 8.012 -1.930 728 HA ASP 95 HA ASP 95 9.647 10.771 -2.952 729 HB2 ASP 95 1HB ASP 95 12.039 9.031 -2.743 730 HB3 ASP 95 2HB ASP 95 11.747 9.719 -4.339 731 HA PRO 96 HA PRO 96 7.275 8.770 -5.956 732 HB2 PRO 96 1HB PRO 96 7.240 10.536 -8.042 733 HB3 PRO 96 2HB PRO 96 6.563 10.968 -6.452 734 HG2 PRO 96 1HG PRO 96 9.339 11.562 -7.474 735 HG3 PRO 96 2HG PRO 96 8.174 12.701 -6.771 736 HD2 PRO 96 1HD PRO 96 10.124 11.605 -5.268 737 HD3 PRO 96 2HD PRO 96 8.474 11.770 -4.613 738 H ASP 97 H ASP 97 10.589 9.451 -6.952 739 HA ASP 97 HA ASP 97 10.657 8.329 -9.511 740 HB2 ASP 97 1HB ASP 97 12.707 9.141 -8.077 741 HB3 ASP 97 2HB ASP 97 12.766 7.413 -7.552 742 H SER 98 H SER 98 10.898 6.628 -6.425 743 HA SER 98 HA SER 98 11.001 4.058 -7.553 744 HB2 SER 98 1HB SER 98 10.714 3.628 -4.893 745 HB3 SER 98 2HB SER 98 12.224 4.147 -5.658 746 HG SER 98 HG SER 98 10.409 5.594 -4.089 747 H TYR 99 H TYR 99 8.460 5.999 -7.618 748 HA TYR 99 HA TYR 99 6.432 3.874 -7.159 749 HB2 TYR 99 1HB TYR 99 5.936 5.696 -5.696 750 HB3 TYR 99 2HB TYR 99 6.153 6.896 -6.962 751 HD1 TYR 99 1HD TYR 99 4.384 7.324 -8.669 752 HD2 TYR 99 2HD TYR 99 3.857 4.431 -5.513 753 HE1 TYR 99 1HE TYR 99 2.037 7.072 -9.305 754 HE2 TYR 99 2HE TYR 99 1.416 4.371 -5.982 755 HH TYR 99 HH TYR 99 -0.049 6.495 -8.411 756 H HIS 100 H HIS 100 7.701 6.483 -9.297 757 HA HIS 100 HA HIS 100 6.015 6.004 -11.528 758 HB2 HIS 100 1HB HIS 100 8.996 6.629 -11.626 759 HB3 HIS 100 2HB HIS 100 7.799 6.930 -12.873 760 HD1 HIS 100 1HD HIS 100 9.778 8.949 -10.951 761 HD2 HIS 100 2HD HIS 100 5.602 8.604 -11.372 762 HE1 HIS 100 1HE HIS 100 8.796 11.181 -10.198 763 H ARG 101 H ARG 101 8.756 4.207 -10.205 764 HA ARG 101 HA ARG 101 8.498 2.155 -12.360 765 HB2 ARG 101 1HB ARG 101 11.042 2.931 -10.837 766 HB3 ARG 101 2HB ARG 101 10.897 1.728 -12.135 767 HG2 ARG 101 1HG ARG 101 10.104 3.635 -13.648 768 HG3 ARG 101 2HG ARG 101 10.583 4.746 -12.344 769 HD2 ARG 101 1HD ARG 101 12.862 3.500 -12.420 770 HD3 ARG 101 2HD ARG 101 12.346 2.932 -14.012 771 HE ARG 101 HE ARG 101 13.403 5.456 -13.278 772 HH11 ARG 101 1HH1 ARG 101 10.838 4.230 -15.456 773 HH12 ARG 101 2HH1 ARG 101 10.642 5.740 -16.266 774 HH21 ARG 101 1HH2 ARG 101 13.177 7.352 -14.353 775 HH22 ARG 101 2HH2 ARG 101 12.045 7.606 -15.631 776 H ARG 102 H ARG 102 9.439 0.089 -11.562 777 HA ARG 102 HA ARG 102 7.970 -0.723 -9.179 778 HB2 ARG 102 1HB ARG 102 7.980 -1.899 -11.436 779 HB3 ARG 102 2HB ARG 102 9.620 -2.416 -11.100 780 HG2 ARG 102 1HG ARG 102 8.880 -4.147 -9.893 781 HG3 ARG 102 2HG ARG 102 8.011 -3.079 -8.791 782 HD2 ARG 102 1HD ARG 102 6.173 -2.949 -10.533 783 HD3 ARG 102 2HD ARG 102 6.990 -4.263 -11.391 784 HE ARG 102 HE ARG 102 6.640 -5.053 -8.692 785 HH11 ARG 102 1HH1 ARG 102 4.814 -4.627 -11.728 786 HH12 ARG 102 2HH1 ARG 102 3.594 -5.788 -11.231 787 HH21 ARG 102 1HH2 ARG 102 4.793 -6.428 -8.059 788 HH22 ARG 102 2HH2 ARG 102 3.434 -6.514 -9.104 789 H ASP 103 H ASP 103 10.207 0.974 -8.609 790 HA ASP 103 HA ASP 103 12.383 -0.806 -7.637 791 HB2 ASP 103 1HB ASP 103 12.889 1.254 -9.029 792 HB3 ASP 103 2HB ASP 103 12.311 2.218 -7.720 793 H PHE 104 H PHE 104 10.736 -1.718 -6.205 794 HA PHE 104 HA PHE 104 9.821 0.021 -3.971 795 HB2 PHE 104 1HB PHE 104 8.981 -2.814 -4.665 796 HB3 PHE 104 2HB PHE 104 8.174 -1.685 -3.578 797 HD1 PHE 104 2HD PHE 104 8.301 0.780 -5.537 798 HD2 PHE 104 1HD PHE 104 7.044 -3.325 -5.989 799 HE1 PHE 104 2HE PHE 104 6.716 1.459 -7.299 800 HE2 PHE 104 1HE PHE 104 5.454 -2.627 -7.775 801 HZ PHE 104 HZ PHE 104 5.287 -0.229 -8.421 802 H TRP 105 H TRP 105 10.252 -0.703 -1.730 803 HA TRP 105 HA TRP 105 12.071 -2.973 -1.477 804 HB2 TRP 105 1HB TRP 105 13.051 -0.310 -1.540 805 HB3 TRP 105 2HB TRP 105 12.982 -0.725 0.166 806 HD1 TRP 105 HD TRP 105 14.226 -2.367 -3.116 807 HE1 TRP 105 1HE TRP 105 16.424 -3.598 -2.691 808 HE3 TRP 105 3HE TRP 105 14.643 -1.501 1.912 809 HZ2 TRP 105 2HZ TRP 105 18.132 -4.185 -0.419 810 HZ3 TRP 105 3HZ TRP 105 16.571 -2.421 3.186 811 HH2 TRP 105 HH TRP 105 18.287 -3.799 2.044 Start of MODEL 19 1 H1 GLY 1 H GLY 1 12.470 10.782 6.105 2 HA2 GLY 1 1HA GLY 1 14.625 12.093 5.996 3 HA3 GLY 1 2HA GLY 1 14.732 10.431 5.409 4 H GLY 2 H GLY 2 13.884 13.738 4.201 5 HA2 GLY 2 1HA GLY 2 15.509 13.959 2.004 6 HA3 GLY 2 2HA GLY 2 14.141 12.978 1.435 7 H HIS 3 H HIS 3 12.342 14.064 0.856 8 HA HIS 3 HA HIS 3 11.628 16.635 2.093 9 HB2 HIS 3 1HB HIS 3 11.237 17.654 -0.066 10 HB3 HIS 3 2HB HIS 3 12.915 17.171 0.059 11 HD1 HIS 3 1HD HIS 3 13.441 14.708 -1.344 12 HD2 HIS 3 2HD HIS 3 10.096 17.085 -2.289 13 HE1 HIS 3 1HE HIS 3 12.694 14.000 -3.678 14 HA PRO 4 HA PRO 4 7.556 14.685 1.657 15 HB2 PRO 4 1HB PRO 4 5.892 16.840 1.286 16 HB3 PRO 4 2HB PRO 4 6.608 16.464 2.879 17 HG2 PRO 4 1HG PRO 4 7.619 18.439 0.831 18 HG3 PRO 4 2HG PRO 4 7.381 18.669 2.592 19 HD2 PRO 4 1HD PRO 4 9.805 18.090 1.521 20 HD3 PRO 4 2HD PRO 4 9.315 17.406 3.093 21 H THR 5 H THR 5 6.096 14.136 -0.081 22 HA THR 5 HA THR 5 6.531 15.435 -2.692 23 HB THR 5 HB THR 5 6.754 13.259 -3.778 24 HG1 THR 5 1HG THR 5 7.177 11.608 -1.764 25 HG21 THR 5 3HG2 THR 5 8.718 13.215 -1.428 26 HG22 THR 5 1HG2 THR 5 8.839 14.344 -2.796 27 HG23 THR 5 2HG2 THR 5 8.967 12.609 -3.066 28 H GLU 6 H GLU 6 4.629 14.389 -4.166 29 HA GLU 6 HA GLU 6 2.171 14.621 -2.552 30 HB2 GLU 6 1HB GLU 6 0.938 14.689 -4.522 31 HB3 GLU 6 2HB GLU 6 2.397 15.680 -4.776 32 HG2 GLU 6 1HG GLU 6 3.432 13.741 -5.960 33 HG3 GLU 6 2HG GLU 6 1.885 12.885 -5.868 34 H VAL 7 H VAL 7 4.312 11.986 -2.863 35 HA VAL 7 HA VAL 7 2.039 10.122 -2.830 36 HB VAL 7 HB VAL 7 3.414 8.404 -3.393 37 HG11 VAL 7 1HG1 VAL 7 2.846 9.937 -5.289 38 HG12 VAL 7 2HG1 VAL 7 4.439 10.703 -5.107 39 HG13 VAL 7 3HG1 VAL 7 4.321 9.008 -5.590 40 HG21 VAL 7 3HG2 VAL 7 5.917 9.912 -2.973 41 HG22 VAL 7 1HG2 VAL 7 5.181 8.562 -2.026 42 HG23 VAL 7 2HG2 VAL 7 5.732 8.287 -3.680 43 H LEU 8 H LEU 8 1.919 8.603 -1.237 44 HA LEU 8 HA LEU 8 3.373 9.170 1.299 45 HB2 LEU 8 1HB LEU 8 0.553 9.350 0.643 46 HB3 LEU 8 2HB LEU 8 0.766 8.054 1.803 47 HG LEU 8 HG LEU 8 2.214 10.631 2.349 48 HD11 LEU 8 1HD1 LEU 8 0.379 11.861 3.095 49 HD12 LEU 8 2HD1 LEU 8 -0.723 10.483 3.047 50 HD13 LEU 8 3HD1 LEU 8 -0.164 11.259 1.546 51 HD21 LEU 8 3HD2 LEU 8 0.504 8.816 4.120 52 HD22 LEU 8 1HD2 LEU 8 1.710 10.019 4.624 53 HD23 LEU 8 2HD2 LEU 8 2.226 8.542 3.810 54 H CYS 9 H CYS 9 3.775 7.349 2.570 55 HA CYS 9 HA CYS 9 3.554 4.687 1.269 56 HB2 CYS 9 1HB CYS 9 5.906 5.425 1.538 57 HB3 CYS 9 2HB CYS 9 5.605 5.762 3.244 58 HG CYS 9 HG CYS 9 5.325 2.883 1.625 59 H LEU 10 H LEU 10 2.454 3.247 2.451 60 HA LEU 10 HA LEU 10 1.213 4.089 5.017 61 HB2 LEU 10 1HB LEU 10 -0.030 2.602 2.668 62 HB3 LEU 10 2HB LEU 10 -0.830 3.107 4.173 63 HG LEU 10 HG LEU 10 0.222 5.047 2.086 64 HD11 LEU 10 3HD2 LEU 10 -2.484 3.777 2.610 65 HD12 LEU 10 1HD2 LEU 10 -1.539 3.773 1.099 66 HD13 LEU 10 2HD2 LEU 10 -2.301 5.275 1.663 67 HD21 LEU 10 1HD1 LEU 10 -1.564 5.445 4.530 68 HD22 LEU 10 2HD1 LEU 10 -1.196 6.681 3.299 69 HD23 LEU 10 3HD1 LEU 10 0.109 6.048 4.335 70 H MET 11 H MET 11 2.053 2.749 6.507 71 HA MET 11 HA MET 11 2.799 -0.050 5.759 72 HB2 MET 11 1HB MET 11 3.504 1.730 8.125 73 HB3 MET 11 2HB MET 11 4.038 0.059 7.924 74 HG2 MET 11 1HG MET 11 5.269 0.584 5.915 75 HG3 MET 11 2HG MET 11 4.622 2.227 5.858 76 HE1 MET 11 3HE MET 11 5.421 4.234 7.111 77 HE2 MET 11 1HE MET 11 4.861 3.527 8.641 78 HE3 MET 11 2HE MET 11 6.500 4.200 8.531 79 H ASN 12 H ASN 12 2.057 -1.746 7.027 80 HA ASN 12 HA ASN 12 0.878 -3.017 8.413 81 HB2 ASN 12 1HB ASN 12 -0.169 -0.570 9.808 82 HB3 ASN 12 2HB ASN 12 -0.260 -2.229 10.368 83 HD21 ASN 12 1HD2 ASN 12 1.092 0.205 11.542 84 HD22 ASN 12 2HD2 ASN 12 2.793 -0.228 11.731 85 H MET 13 H MET 13 -0.247 -2.094 5.857 86 HA MET 13 HA MET 13 -3.164 -2.261 6.305 87 HB2 MET 13 1HB MET 13 -1.393 -1.704 3.971 88 HB3 MET 13 2HB MET 13 -2.818 -2.678 3.629 89 HG2 MET 13 1HG MET 13 -3.948 -0.832 3.410 90 HG3 MET 13 2HG MET 13 -3.876 -0.696 5.150 91 HE1 MET 13 3HE MET 13 -1.202 1.806 5.883 92 HE2 MET 13 1HE MET 13 -1.881 0.232 6.290 93 HE3 MET 13 2HE MET 13 -0.430 0.316 5.295 94 H VAL 14 H VAL 14 -0.778 -4.161 4.434 95 HA VAL 14 HA VAL 14 -2.593 -6.476 4.581 96 HB VAL 14 HB VAL 14 -1.713 -6.791 2.197 97 HG11 VAL 14 1HG1 VAL 14 -3.593 -4.527 2.963 98 HG12 VAL 14 2HG1 VAL 14 -3.323 -5.013 1.283 99 HG13 VAL 14 3HG1 VAL 14 -3.976 -6.157 2.440 100 HG21 VAL 14 3HG2 VAL 14 0.200 -5.235 2.301 101 HG22 VAL 14 1HG2 VAL 14 -0.905 -4.808 1.000 102 HG23 VAL 14 2HG2 VAL 14 -0.913 -3.856 2.478 103 H LEU 15 H LEU 15 -1.657 -8.583 4.389 104 HA LEU 15 HA LEU 15 1.121 -8.704 5.478 105 HB2 LEU 15 1HB LEU 15 -1.100 -10.778 5.355 106 HB3 LEU 15 2HB LEU 15 0.504 -11.114 5.945 107 HG LEU 15 HG LEU 15 -1.505 -9.230 7.214 108 HD11 LEU 15 1HD1 LEU 15 -1.426 -10.854 9.074 109 HD12 LEU 15 2HD1 LEU 15 -0.277 -11.856 8.157 110 HD13 LEU 15 3HD1 LEU 15 -1.930 -11.637 7.574 111 HD21 LEU 15 3HD2 LEU 15 1.363 -9.843 8.066 112 HD22 LEU 15 1HD2 LEU 15 0.162 -9.010 9.070 113 HD23 LEU 15 2HD2 LEU 15 0.716 -8.257 7.579 114 HA PRO 16 HA PRO 16 2.603 -10.366 1.657 115 HB2 PRO 16 1HB PRO 16 4.613 -12.088 2.394 116 HB3 PRO 16 2HB PRO 16 4.732 -10.316 2.629 117 HG2 PRO 16 1HG PRO 16 3.796 -12.392 4.650 118 HG3 PRO 16 2HG PRO 16 5.082 -11.166 4.865 119 HD2 PRO 16 1HD PRO 16 2.584 -10.690 5.733 120 HD3 PRO 16 2HD PRO 16 3.491 -9.386 4.925 121 H GLU 17 H GLU 17 0.603 -12.142 3.644 122 HA GLU 17 HA GLU 17 0.478 -14.437 1.770 123 HB2 GLU 17 1HB GLU 17 -0.024 -15.853 3.655 124 HB3 GLU 17 2HB GLU 17 1.575 -15.107 3.792 125 HG2 GLU 17 1HG GLU 17 0.517 -13.377 5.369 126 HG3 GLU 17 2HG GLU 17 -0.930 -14.387 5.371 127 H GLU 18 H GLU 18 -1.049 -11.730 2.133 128 HA GLU 18 HA GLU 18 -3.808 -12.852 2.077 129 HB2 GLU 18 1HB GLU 18 -2.829 -10.546 3.746 130 HB3 GLU 18 2HB GLU 18 -4.523 -11.014 3.554 131 HG2 GLU 18 1HG GLU 18 -2.541 -12.833 4.918 132 HG3 GLU 18 2HG GLU 18 -3.304 -11.502 5.737 133 H LEU 19 H LEU 19 -1.915 -11.784 0.045 134 HA LEU 19 HA LEU 19 -3.651 -9.575 -1.104 135 HB2 LEU 19 1HB LEU 19 -0.688 -10.062 -1.554 136 HB3 LEU 19 2HB LEU 19 -1.648 -8.946 -2.469 137 HG LEU 19 HG LEU 19 -1.293 -8.683 0.548 138 HD11 LEU 19 1HD1 LEU 19 0.134 -7.257 -1.711 139 HD12 LEU 19 2HD1 LEU 19 0.864 -8.480 -0.645 140 HD13 LEU 19 3HD1 LEU 19 0.323 -6.933 0.025 141 HD21 LEU 19 3HD2 LEU 19 -2.459 -6.960 -1.721 142 HD22 LEU 19 1HD2 LEU 19 -2.071 -6.301 -0.137 143 HD23 LEU 19 2HD2 LEU 19 -3.306 -7.549 -0.270 144 H LEU 20 H LEU 20 -3.282 -12.767 -1.238 145 HA LEU 20 HA LEU 20 -2.815 -13.287 -4.065 146 HB2 LEU 20 1HB LEU 20 -4.210 -14.972 -1.945 147 HB3 LEU 20 2HB LEU 20 -3.622 -15.520 -3.489 148 HG LEU 20 HG LEU 20 -2.181 -16.344 -1.812 149 HD11 LEU 20 1HD1 LEU 20 -1.170 -15.694 -3.943 150 HD12 LEU 20 2HD1 LEU 20 -0.023 -15.529 -2.603 151 HD13 LEU 20 3HD1 LEU 20 -0.795 -14.084 -3.290 152 HD21 LEU 20 3HD2 LEU 20 -0.997 -15.162 -0.168 153 HD22 LEU 20 1HD2 LEU 20 -2.638 -14.515 -0.056 154 HD23 LEU 20 2HD2 LEU 20 -1.350 -13.585 -0.861 155 H ASP 21 H ASP 21 -5.441 -12.395 -2.016 156 HA ASP 21 HA ASP 21 -7.583 -13.501 -3.408 157 HB2 ASP 21 1HB ASP 21 -7.531 -11.379 -1.228 158 HB3 ASP 21 2HB ASP 21 -8.863 -12.495 -1.613 159 H ASP 22 H ASP 22 -7.256 -12.632 -5.500 160 HA ASP 22 HA ASP 22 -7.017 -10.082 -6.455 161 HB2 ASP 22 1HB ASP 22 -8.430 -12.496 -7.620 162 HB3 ASP 22 2HB ASP 22 -8.147 -11.047 -8.571 163 H GLU 23 H GLU 23 -9.660 -10.965 -4.789 164 HA GLU 23 HA GLU 23 -11.704 -9.400 -6.285 165 HB2 GLU 23 1HB GLU 23 -13.284 -11.044 -5.642 166 HB3 GLU 23 2HB GLU 23 -11.888 -11.789 -6.436 167 HG2 GLU 23 1HG GLU 23 -10.973 -12.125 -3.973 168 HG3 GLU 23 2HG GLU 23 -12.616 -11.698 -3.540 169 H GLU 24 H GLU 24 -10.332 -10.051 -3.057 170 HA GLU 24 HA GLU 24 -11.983 -7.939 -1.799 171 HB2 GLU 24 1HB GLU 24 -9.613 -9.668 -0.973 172 HB3 GLU 24 2HB GLU 24 -9.987 -8.180 -0.106 173 HG2 GLU 24 1HG GLU 24 -11.307 -9.343 1.182 174 HG3 GLU 24 2HG GLU 24 -12.475 -9.335 -0.113 175 H TYR 25 H TYR 25 -8.785 -8.526 -3.138 176 HA TYR 25 HA TYR 25 -7.354 -6.305 -2.625 177 HB2 TYR 25 1HB TYR 25 -6.516 -8.216 -3.835 178 HB3 TYR 25 2HB TYR 25 -7.587 -7.901 -5.199 179 HD1 TYR 25 2HD TYR 25 -4.502 -6.873 -3.450 180 HD2 TYR 25 1HD TYR 25 -7.097 -6.194 -6.836 181 HE1 TYR 25 2HE TYR 25 -2.773 -5.428 -4.511 182 HE2 TYR 25 1HE TYR 25 -5.392 -4.768 -7.902 183 HH TYR 25 HH TYR 25 -3.360 -3.755 -7.641 184 H GLU 26 H GLU 26 -9.973 -6.393 -5.051 185 HA GLU 26 HA GLU 26 -9.257 -3.746 -6.076 186 HB2 GLU 26 1HB GLU 26 -10.742 -6.068 -7.030 187 HB3 GLU 26 2HB GLU 26 -11.839 -4.662 -7.032 188 HG2 GLU 26 1HG GLU 26 -10.094 -3.348 -8.272 189 HG3 GLU 26 2HG GLU 26 -9.039 -4.751 -8.208 190 H GLU 27 H GLU 27 -11.569 -5.067 -3.893 191 HA GLU 27 HA GLU 27 -13.272 -2.759 -3.558 192 HB2 GLU 27 1HB GLU 27 -12.525 -4.841 -1.458 193 HB3 GLU 27 2HB GLU 27 -13.949 -3.801 -1.461 194 HG2 GLU 27 1HG GLU 27 -14.965 -5.058 -3.220 195 HG3 GLU 27 2HG GLU 27 -13.464 -5.923 -3.579 196 H ILE 28 H ILE 28 -10.478 -4.052 -1.789 197 HA ILE 28 HA ILE 28 -10.468 -2.089 0.254 198 HB ILE 28 HB ILE 28 -8.331 -4.002 -0.781 199 HG12 ILE 28 1HG1 ILE 28 -10.062 -4.117 1.743 200 HG13 ILE 28 2HG1 ILE 28 -10.526 -4.906 0.243 201 HG21 ILE 28 1HG2 ILE 28 -8.353 -2.294 1.754 202 HG22 ILE 28 2HG2 ILE 28 -7.202 -3.636 1.456 203 HG23 ILE 28 3HG2 ILE 28 -7.164 -2.221 0.422 204 HD11 ILE 28 3HD1 ILE 28 -8.076 -5.590 1.914 205 HD12 ILE 28 1HD1 ILE 28 -9.542 -6.544 1.687 206 HD13 ILE 28 2HD1 ILE 28 -8.448 -6.280 0.316 207 H VAL 29 H VAL 29 -9.095 -1.987 -2.985 208 HA VAL 29 HA VAL 29 -7.477 0.380 -2.538 209 HB VAL 29 HB VAL 29 -8.735 -0.764 -5.050 210 HG11 VAL 29 1HG1 VAL 29 -8.310 1.597 -5.471 211 HG12 VAL 29 2HG1 VAL 29 -6.719 1.485 -4.700 212 HG13 VAL 29 3HG1 VAL 29 -7.007 0.681 -6.247 213 HG21 VAL 29 3HG2 VAL 29 -5.788 -0.767 -4.276 214 HG22 VAL 29 1HG2 VAL 29 -6.859 -2.093 -3.842 215 HG23 VAL 29 2HG2 VAL 29 -6.612 -1.715 -5.542 216 H GLU 30 H GLU 30 -10.883 -0.189 -3.666 217 HA GLU 30 HA GLU 30 -11.326 2.620 -4.075 218 HB2 GLU 30 1HB GLU 30 -13.311 0.338 -3.794 219 HB3 GLU 30 2HB GLU 30 -13.749 2.001 -4.184 220 HG2 GLU 30 1HG GLU 30 -11.669 1.261 -6.014 221 HG3 GLU 30 2HG GLU 30 -12.800 -0.083 -5.925 222 H ASP 31 H ASP 31 -12.037 0.520 -1.311 223 HA ASP 31 HA ASP 31 -13.523 2.377 0.260 224 HB2 ASP 31 1HB ASP 31 -13.190 0.014 1.024 225 HB3 ASP 31 2HB ASP 31 -11.457 0.284 1.107 226 H VAL 32 H VAL 32 -10.097 1.955 -0.100 227 HA VAL 32 HA VAL 32 -9.432 3.989 1.893 228 HB VAL 32 HB VAL 32 -7.962 2.094 -0.046 229 HG11 VAL 32 1HG1 VAL 32 -6.741 4.251 1.648 230 HG12 VAL 32 2HG1 VAL 32 -5.834 2.768 1.160 231 HG13 VAL 32 3HG1 VAL 32 -6.461 3.856 -0.062 232 HG21 VAL 32 3HG2 VAL 32 -8.952 1.120 2.009 233 HG22 VAL 32 1HG2 VAL 32 -7.198 1.084 2.124 234 HG23 VAL 32 2HG2 VAL 32 -8.114 2.320 3.018 235 H ARG 33 H ARG 33 -9.622 3.750 -1.650 236 HA ARG 33 HA ARG 33 -8.421 6.323 -2.133 237 HB2 ARG 33 1HB ARG 33 -8.718 4.539 -3.861 238 HB3 ARG 33 2HB ARG 33 -10.458 4.788 -3.827 239 HG2 ARG 33 1HG ARG 33 -10.346 6.790 -4.963 240 HG3 ARG 33 2HG ARG 33 -8.720 7.185 -4.383 241 HD2 ARG 33 1HD ARG 33 -7.635 5.853 -5.954 242 HD3 ARG 33 2HD ARG 33 -9.015 4.796 -6.199 243 HE ARG 33 HE ARG 33 -8.495 7.375 -7.510 244 HH11 ARG 33 1HH1 ARG 33 -10.801 4.701 -7.020 245 HH12 ARG 33 2HH1 ARG 33 -11.947 5.304 -8.146 246 HH21 ARG 33 1HH2 ARG 33 -9.895 8.064 -9.106 247 HH22 ARG 33 2HH2 ARG 33 -11.308 7.105 -9.555 248 H ASP 34 H ASP 34 -11.805 5.252 -1.556 249 HA ASP 34 HA ASP 34 -13.070 7.772 -1.791 250 HB2 ASP 34 1HB ASP 34 -14.236 5.515 -1.376 251 HB3 ASP 34 2HB ASP 34 -13.700 5.604 0.267 252 H GLU 35 H GLU 35 -11.731 6.126 1.111 253 HA GLU 35 HA GLU 35 -12.635 8.163 2.793 254 HB2 GLU 35 1HB GLU 35 -11.546 7.050 4.542 255 HB3 GLU 35 2HB GLU 35 -11.975 5.753 3.432 256 HG2 GLU 35 1HG GLU 35 -9.474 5.731 2.853 257 HG3 GLU 35 2HG GLU 35 -9.292 7.101 3.881 258 H CYS 36 H CYS 36 -9.446 7.702 1.292 259 HA CYS 36 HA CYS 36 -8.281 9.808 2.862 260 HB2 CYS 36 1HB CYS 36 -7.075 7.822 1.896 261 HB3 CYS 36 2HB CYS 36 -7.094 8.692 0.333 262 HG CYS 36 HG CYS 36 -6.253 10.951 1.457 263 H SER 37 H SER 37 -10.310 9.779 -0.072 264 HA SER 37 HA SER 37 -9.257 12.185 -1.243 265 HB2 SER 37 1HB SER 37 -11.712 10.434 -1.676 266 HB3 SER 37 2HB SER 37 -11.342 11.875 -2.593 267 HG SER 37 HG SER 37 -10.003 9.425 -2.463 268 H LYS 38 H LYS 38 -11.226 11.455 1.506 269 HA LYS 38 HA LYS 38 -12.782 13.883 1.511 270 HB2 LYS 38 1HB LYS 38 -11.723 12.300 3.884 271 HB3 LYS 38 2HB LYS 38 -13.047 13.453 3.884 272 HG2 LYS 38 1HG LYS 38 -14.315 11.977 2.293 273 HG3 LYS 38 2HG LYS 38 -13.022 10.797 2.371 274 HD2 LYS 38 1HD LYS 38 -13.296 10.396 4.708 275 HD3 LYS 38 2HD LYS 38 -14.468 11.710 4.886 276 HE2 LYS 38 1HE LYS 38 -14.925 9.363 3.015 277 HE3 LYS 38 2HE LYS 38 -15.360 9.278 4.721 278 HZ1 LYS 38 3HZ LYS 38 -16.982 10.977 4.408 279 HZ2 LYS 38 1HZ LYS 38 -17.147 9.898 3.207 280 HZ3 LYS 38 2HZ LYS 38 -16.465 11.320 2.878 281 H TYR 39 H TYR 39 -9.391 13.335 1.726 282 HA TYR 39 HA TYR 39 -8.809 15.954 3.009 283 HB2 TYR 39 1HB TYR 39 -7.150 13.411 2.836 284 HB3 TYR 39 2HB TYR 39 -6.660 14.917 3.584 285 HD1 TYR 39 2HD TYR 39 -9.333 12.249 3.840 286 HD2 TYR 39 1HD TYR 39 -6.945 15.207 5.899 287 HE1 TYR 39 2HE TYR 39 -10.298 11.522 5.969 288 HE2 TYR 39 1HE TYR 39 -7.814 14.372 8.070 289 HH TYR 39 HH TYR 39 -10.283 11.765 8.277 290 H GLY 40 H GLY 40 -9.157 14.779 -0.126 291 HA2 GLY 40 1HA GLY 40 -7.822 16.705 -1.466 292 HA3 GLY 40 2HA GLY 40 -6.534 15.535 -1.146 293 H LEU 41 H LEU 41 -6.296 15.106 -3.368 294 HA LEU 41 HA LEU 41 -8.419 13.412 -4.596 295 HB2 LEU 41 1HB LEU 41 -8.159 15.672 -5.558 296 HB3 LEU 41 2HB LEU 41 -6.495 15.363 -5.865 297 HG LEU 41 HG LEU 41 -7.807 15.232 -7.836 298 HD11 LEU 41 1HD1 LEU 41 -7.048 13.256 -8.854 299 HD12 LEU 41 2HD1 LEU 41 -7.039 12.360 -7.333 300 HD13 LEU 41 3HD1 LEU 41 -5.852 13.659 -7.612 301 HD21 LEU 41 3HD2 LEU 41 -9.944 14.566 -6.783 302 HD22 LEU 41 1HD2 LEU 41 -9.359 12.885 -6.727 303 HD23 LEU 41 2HD2 LEU 41 -9.565 13.716 -8.286 304 H VAL 42 H VAL 42 -7.757 11.498 -4.495 305 HA VAL 42 HA VAL 42 -4.921 10.689 -4.268 306 HB VAL 42 HB VAL 42 -7.490 9.110 -4.265 307 HG11 VAL 42 1HG1 VAL 42 -5.732 7.646 -5.080 308 HG12 VAL 42 2HG1 VAL 42 -4.647 8.178 -3.782 309 HG13 VAL 42 3HG1 VAL 42 -6.087 7.208 -3.404 310 HG21 VAL 42 3HG2 VAL 42 -5.683 9.630 -1.917 311 HG22 VAL 42 1HG2 VAL 42 -7.205 10.499 -2.217 312 HG23 VAL 42 2HG2 VAL 42 -7.223 8.757 -1.917 313 H LYS 43 H LYS 43 -3.975 11.000 -6.169 314 HA LYS 43 HA LYS 43 -4.866 10.474 -8.819 315 HB2 LYS 43 1HB LYS 43 -2.508 11.384 -7.748 316 HB3 LYS 43 2HB LYS 43 -2.082 9.717 -7.922 317 HG2 LYS 43 1HG LYS 43 -2.026 9.753 -10.194 318 HG3 LYS 43 2HG LYS 43 -3.317 10.943 -10.348 319 HD2 LYS 43 1HD LYS 43 -0.552 11.694 -9.315 320 HD3 LYS 43 2HD LYS 43 -0.998 11.749 -11.013 321 HE2 LYS 43 1HE LYS 43 -3.029 13.165 -10.196 322 HE3 LYS 43 2HE LYS 43 -2.069 13.353 -8.718 323 HZ1 LYS 43 3HZ LYS 43 -1.629 15.161 -10.201 324 HZ2 LYS 43 1HZ LYS 43 -1.326 14.174 -11.460 325 HZ3 LYS 43 2HZ LYS 43 -0.272 14.234 -10.196 326 H SER 44 H SER 44 -3.200 8.230 -6.446 327 HA SER 44 HA SER 44 -4.432 5.916 -7.716 328 HB2 SER 44 1HB SER 44 -2.379 6.915 -9.142 329 HB3 SER 44 2HB SER 44 -1.408 6.101 -7.913 330 HG SER 44 HG SER 44 -3.456 5.032 -9.589 331 H ILE 45 H ILE 45 -3.377 3.856 -6.816 332 HA ILE 45 HA ILE 45 -2.110 4.073 -4.188 333 HB ILE 45 HB ILE 45 -4.714 2.574 -4.699 334 HG12 ILE 45 1HG1 ILE 45 -4.150 4.427 -2.355 335 HG13 ILE 45 2HG1 ILE 45 -4.705 5.065 -3.896 336 HG21 ILE 45 1HG2 ILE 45 -4.461 1.663 -2.368 337 HG22 ILE 45 2HG2 ILE 45 -3.204 1.100 -3.449 338 HG23 ILE 45 3HG2 ILE 45 -2.843 2.392 -2.290 339 HD11 ILE 45 3HD1 ILE 45 -6.220 3.019 -2.246 340 HD12 ILE 45 1HD1 ILE 45 -6.590 4.745 -2.417 341 HD13 ILE 45 2HD1 ILE 45 -6.704 3.665 -3.825 342 H GLU 46 H GLU 46 -0.665 2.449 -4.003 343 HA GLU 46 HA GLU 46 -0.338 0.605 -6.312 344 HB2 GLU 46 1HB GLU 46 1.162 2.700 -6.085 345 HB3 GLU 46 2HB GLU 46 1.906 1.865 -4.744 346 HG2 GLU 46 1HG GLU 46 3.187 1.471 -6.770 347 HG3 GLU 46 2HG GLU 46 2.414 -0.045 -6.233 348 H ILE 47 H ILE 47 -0.768 -1.438 -5.650 349 HA ILE 47 HA ILE 47 0.278 -2.382 -3.032 350 HB ILE 47 HB ILE 47 -2.318 -3.274 -4.275 351 HG12 ILE 47 1HG1 ILE 47 -1.823 -1.135 -2.202 352 HG13 ILE 47 2HG1 ILE 47 -2.631 -0.987 -3.774 353 HG21 ILE 47 1HG2 ILE 47 -2.653 -4.373 -2.106 354 HG22 ILE 47 2HG2 ILE 47 -1.086 -4.870 -2.718 355 HG23 ILE 47 3HG2 ILE 47 -1.186 -3.636 -1.453 356 HD11 ILE 47 3HD1 ILE 47 -3.686 -2.496 -1.368 357 HD12 ILE 47 1HD1 ILE 47 -4.269 -0.966 -2.023 358 HD13 ILE 47 2HD1 ILE 47 -4.455 -2.462 -2.973 359 HA PRO 48 HA PRO 48 2.018 -5.159 -6.307 360 HB2 PRO 48 1HB PRO 48 4.389 -5.707 -5.058 361 HB3 PRO 48 2HB PRO 48 4.145 -4.223 -6.012 362 HG2 PRO 48 1HG PRO 48 3.953 -4.578 -3.022 363 HG3 PRO 48 2HG PRO 48 4.750 -3.263 -3.926 364 HD2 PRO 48 1HD PRO 48 2.243 -3.122 -2.790 365 HD3 PRO 48 2HD PRO 48 2.673 -2.162 -4.230 366 H ARG 49 H ARG 49 1.912 -7.457 -6.173 367 HA ARG 49 HA ARG 49 1.209 -8.598 -3.493 368 HB2 ARG 49 1HB ARG 49 0.067 -9.527 -6.133 369 HB3 ARG 49 2HB ARG 49 -0.466 -9.947 -4.522 370 HG2 ARG 49 1HG ARG 49 -2.107 -8.458 -4.885 371 HG3 ARG 49 2HG ARG 49 -0.920 -7.250 -4.440 372 HD2 ARG 49 1HD ARG 49 -1.972 -6.558 -6.536 373 HD3 ARG 49 2HD ARG 49 -0.324 -7.009 -6.879 374 HE ARG 49 HE ARG 49 -1.049 -8.689 -8.214 375 HH11 ARG 49 1HH1 ARG 49 -3.945 -7.649 -6.320 376 HH12 ARG 49 2HH1 ARG 49 -4.703 -9.182 -6.628 377 HH21 ARG 49 1HH2 ARG 49 -2.445 -10.531 -8.856 378 HH22 ARG 49 2HH2 ARG 49 -4.076 -10.518 -8.305 379 HA PRO 50 HA PRO 50 4.428 -11.567 -4.495 380 HB2 PRO 50 1HB PRO 50 3.547 -13.917 -3.422 381 HB3 PRO 50 2HB PRO 50 4.155 -12.547 -2.449 382 HG2 PRO 50 1HG PRO 50 1.289 -13.261 -3.088 383 HG3 PRO 50 2HG PRO 50 1.993 -12.834 -1.498 384 HD2 PRO 50 1HD PRO 50 0.656 -11.034 -3.026 385 HD3 PRO 50 2HD PRO 50 2.080 -10.532 -2.065 386 H VAL 51 H VAL 51 4.992 -13.049 -5.888 387 HA VAL 51 HA VAL 51 3.247 -13.744 -8.162 388 HB VAL 51 HB VAL 51 6.132 -14.476 -7.760 389 HG11 VAL 51 1HG1 VAL 51 4.529 -13.735 -10.215 390 HG12 VAL 51 2HG1 VAL 51 6.264 -14.128 -10.234 391 HG13 VAL 51 3HG1 VAL 51 5.104 -15.362 -9.780 392 HG21 VAL 51 3HG2 VAL 51 6.243 -12.075 -7.275 393 HG22 VAL 51 1HG2 VAL 51 6.866 -12.342 -8.893 394 HG23 VAL 51 2HG2 VAL 51 5.217 -11.707 -8.682 395 H ASP 52 H ASP 52 3.448 -15.944 -8.912 396 HA ASP 52 HA ASP 52 2.613 -17.966 -7.110 397 HB2 ASP 52 1HB ASP 52 3.533 -17.761 -9.973 398 HB3 ASP 52 2HB ASP 52 3.108 -19.325 -9.257 399 H GLY 53 H GLY 53 4.417 -17.659 -5.660 400 HA2 GLY 53 1HA GLY 53 5.975 -19.158 -4.608 401 HA3 GLY 53 2HA GLY 53 6.601 -19.628 -6.188 402 H VAL 54 H VAL 54 6.280 -16.193 -6.175 403 HA VAL 54 HA VAL 54 9.104 -15.918 -5.224 404 HB VAL 54 HB VAL 54 8.170 -14.270 -7.531 405 HG11 VAL 54 1HG1 VAL 54 10.293 -13.814 -6.516 406 HG12 VAL 54 2HG1 VAL 54 10.830 -15.485 -6.808 407 HG13 VAL 54 3HG1 VAL 54 10.507 -14.394 -8.169 408 HG21 VAL 54 3HG2 VAL 54 8.947 -17.189 -7.882 409 HG22 VAL 54 1HG2 VAL 54 7.468 -16.398 -8.436 410 HG23 VAL 54 2HG2 VAL 54 8.994 -15.967 -9.187 411 H GLU 55 H GLU 55 9.629 -13.886 -4.242 412 HA GLU 55 HA GLU 55 7.292 -12.457 -3.245 413 HB2 GLU 55 1HB GLU 55 8.763 -11.293 -1.786 414 HB3 GLU 55 2HB GLU 55 8.929 -13.046 -1.628 415 HG2 GLU 55 1HG GLU 55 10.946 -12.950 -2.963 416 HG3 GLU 55 2HG GLU 55 10.819 -11.199 -3.144 417 H VAL 56 H VAL 56 7.575 -9.986 -3.036 418 HA VAL 56 HA VAL 56 8.576 -8.759 -5.530 419 HB VAL 56 HB VAL 56 6.677 -7.062 -4.700 420 HG11 VAL 56 1HG1 VAL 56 6.134 -9.377 -6.567 421 HG12 VAL 56 2HG1 VAL 56 5.190 -7.884 -6.467 422 HG13 VAL 56 3HG1 VAL 56 6.879 -7.811 -6.976 423 HG21 VAL 56 3HG2 VAL 56 5.319 -9.718 -4.214 424 HG22 VAL 56 1HG2 VAL 56 5.833 -8.615 -2.930 425 HG23 VAL 56 2HG2 VAL 56 4.607 -8.088 -4.088 426 HA PRO 57 HA PRO 57 10.992 -6.461 -2.591 427 HB2 PRO 57 1HB PRO 57 11.626 -4.206 -3.974 428 HB3 PRO 57 2HB PRO 57 12.326 -5.794 -4.385 429 HG2 PRO 57 1HG PRO 57 9.949 -4.399 -5.676 430 HG3 PRO 57 2HG PRO 57 11.311 -5.191 -6.490 431 HD2 PRO 57 1HD PRO 57 8.910 -6.433 -6.103 432 HD3 PRO 57 2HD PRO 57 10.451 -7.338 -6.045 433 H GLY 58 H GLY 58 10.317 -5.267 -0.895 434 HA2 GLY 58 1HA GLY 58 9.302 -3.547 0.304 435 HA3 GLY 58 2HA GLY 58 8.660 -2.883 -1.195 436 H CYS 59 H CYS 59 8.084 -6.276 -0.277 437 HA CYS 59 HA CYS 59 5.263 -5.901 -0.659 438 HB2 CYS 59 1HB CYS 59 6.612 -7.940 -1.188 439 HB3 CYS 59 2HB CYS 59 6.694 -8.297 0.549 440 HG CYS 59 HG CYS 59 4.940 -9.785 -0.793 441 H GLY 60 H GLY 60 3.571 -6.063 0.762 442 HA2 GLY 60 1HA GLY 60 2.473 -6.177 2.855 443 HA3 GLY 60 2HA GLY 60 3.992 -5.863 3.700 444 H LYS 61 H LYS 61 4.713 -3.678 1.761 445 HA LYS 61 HA LYS 61 3.316 -1.537 3.210 446 HB2 LYS 61 1HB LYS 61 5.463 -1.306 1.049 447 HB3 LYS 61 2HB LYS 61 4.838 -0.018 2.082 448 HG2 LYS 61 1HG LYS 61 6.709 -0.536 3.291 449 HG3 LYS 61 2HG LYS 61 5.603 -1.726 4.021 450 HD2 LYS 61 1HD LYS 61 6.433 -3.385 2.286 451 HD3 LYS 61 2HD LYS 61 7.656 -2.201 1.798 452 HE2 LYS 61 1HE LYS 61 8.728 -2.353 3.883 453 HE3 LYS 61 2HE LYS 61 7.300 -3.079 4.657 454 HZ1 LYS 61 3HZ LYS 61 7.752 -5.001 3.047 455 HZ2 LYS 61 1HZ LYS 61 8.645 -4.861 4.383 456 HZ3 LYS 61 2HZ LYS 61 9.296 -4.372 2.947 457 H ILE 62 H ILE 62 2.288 0.255 1.993 458 HA ILE 62 HA ILE 62 1.330 -0.358 -0.743 459 HB ILE 62 HB ILE 62 -0.300 0.532 1.660 460 HG12 ILE 62 1HG1 ILE 62 -0.449 -1.716 -0.395 461 HG13 ILE 62 2HG1 ILE 62 -0.151 -1.864 1.335 462 HG21 ILE 62 1HG2 ILE 62 -0.751 2.121 -0.182 463 HG22 ILE 62 2HG2 ILE 62 -1.047 0.779 -1.292 464 HG23 ILE 62 3HG2 ILE 62 -2.129 1.089 0.090 465 HD11 ILE 62 3HD1 ILE 62 -2.456 -1.015 1.759 466 HD12 ILE 62 1HD1 ILE 62 -2.763 -1.043 0.037 467 HD13 ILE 62 2HD1 ILE 62 -2.408 -2.558 0.881 468 H PHE 63 H PHE 63 1.546 1.538 -1.988 469 HA PHE 63 HA PHE 63 2.310 4.081 -0.569 470 HB2 PHE 63 1HB PHE 63 2.913 3.414 -3.415 471 HB3 PHE 63 2HB PHE 63 3.578 4.702 -2.399 472 HD1 PHE 63 1HD PHE 63 5.133 4.049 -0.456 473 HD2 PHE 63 2HD PHE 63 3.881 1.257 -3.471 474 HE1 PHE 63 1HE PHE 63 6.956 2.471 0.236 475 HE2 PHE 63 2HE PHE 63 5.648 -0.297 -2.765 476 HZ PHE 63 HZ PHE 63 7.248 0.327 -0.967 477 H VAL 64 H VAL 64 1.291 6.017 -1.538 478 HA VAL 64 HA VAL 64 -1.058 5.574 -3.233 479 HB VAL 64 HB VAL 64 -1.940 5.377 -0.958 480 HG11 VAL 64 1HG1 VAL 64 -0.800 8.131 -0.462 481 HG12 VAL 64 2HG1 VAL 64 -1.811 7.215 0.660 482 HG13 VAL 64 3HG1 VAL 64 -0.192 6.619 0.274 483 HG21 VAL 64 3HG2 VAL 64 -3.629 7.109 -0.921 484 HG22 VAL 64 1HG2 VAL 64 -2.692 8.123 -2.034 485 HG23 VAL 64 2HG2 VAL 64 -3.367 6.579 -2.590 486 H GLU 65 H GLU 65 -1.637 7.579 -4.313 487 HA GLU 65 HA GLU 65 0.498 9.638 -4.317 488 HB2 GLU 65 1HB GLU 65 0.907 7.969 -6.081 489 HB3 GLU 65 2HB GLU 65 -0.767 8.092 -6.631 490 HG2 GLU 65 1HG GLU 65 -0.178 10.553 -7.182 491 HG3 GLU 65 2HG GLU 65 1.450 10.141 -6.864 492 H PHE 66 H PHE 66 -0.170 11.654 -4.498 493 HA PHE 66 HA PHE 66 -3.068 12.195 -4.870 494 HB2 PHE 66 1HB PHE 66 -0.981 13.424 -3.056 495 HB3 PHE 66 2HB PHE 66 -2.267 14.422 -3.659 496 HD1 PHE 66 2HD PHE 66 -2.684 10.773 -2.538 497 HD2 PHE 66 1HD PHE 66 -3.400 14.993 -1.808 498 HE1 PHE 66 2HE PHE 66 -4.010 10.249 -0.534 499 HE2 PHE 66 1HE PHE 66 -4.806 14.422 0.138 500 HZ PHE 66 HZ PHE 66 -5.109 12.070 0.764 501 H THR 67 H THR 67 -3.193 14.711 -5.544 502 HA THR 67 HA THR 67 -1.353 15.042 -7.865 503 HB THR 67 HB THR 67 -3.783 14.597 -8.196 504 HG1 THR 67 1HG THR 67 -3.437 17.057 -9.363 505 HG21 THR 67 3HG2 THR 67 -4.243 17.445 -7.284 506 HG22 THR 67 1HG2 THR 67 -4.569 15.992 -6.317 507 HG23 THR 67 2HG2 THR 67 -5.443 16.241 -7.848 508 H SER 68 H SER 68 -1.391 16.204 -4.717 509 HA SER 68 HA SER 68 0.386 18.229 -5.623 510 HB2 SER 68 1HB SER 68 -1.945 19.078 -3.839 511 HB3 SER 68 2HB SER 68 -0.543 20.071 -4.256 512 HG SER 68 HG SER 68 -1.592 19.152 -6.515 513 H VAL 69 H VAL 69 2.058 18.304 -4.229 514 HA VAL 69 HA VAL 69 2.459 16.757 -1.944 515 HB VAL 69 HB VAL 69 3.637 19.522 -2.368 516 HG11 VAL 69 1HG1 VAL 69 5.548 18.730 -1.226 517 HG12 VAL 69 2HG1 VAL 69 4.207 18.000 -0.305 518 HG13 VAL 69 3HG1 VAL 69 5.109 17.040 -1.454 519 HG21 VAL 69 3HG2 VAL 69 4.474 16.970 -3.827 520 HG22 VAL 69 1HG2 VAL 69 3.877 18.458 -4.581 521 HG23 VAL 69 2HG2 VAL 69 5.432 18.454 -3.752 522 H PHE 70 H PHE 70 0.891 19.913 -2.310 523 HA PHE 70 HA PHE 70 0.806 20.738 0.453 524 HB2 PHE 70 1HB PHE 70 -0.636 21.446 -2.110 525 HB3 PHE 70 2HB PHE 70 -1.413 21.900 -0.620 526 HD1 PHE 70 2HD PHE 70 1.850 22.267 -2.415 527 HD2 PHE 70 1HD PHE 70 -0.871 23.863 0.528 528 HE1 PHE 70 2HE PHE 70 3.107 24.395 -2.400 529 HE2 PHE 70 1HE PHE 70 0.398 25.990 0.541 530 HZ PHE 70 HZ PHE 70 2.367 26.275 -0.953 531 H ASP 71 H ASP 71 -0.902 18.224 -1.136 532 HA ASP 71 HA ASP 71 -3.249 18.409 0.708 533 HB2 ASP 71 1HB ASP 71 -2.993 17.340 -2.121 534 HB3 ASP 71 2HB ASP 71 -4.453 17.293 -1.139 535 H CYS 72 H CYS 72 -0.852 16.400 -0.713 536 HA CYS 72 HA CYS 72 -1.307 14.013 0.759 537 HB2 CYS 72 1HB CYS 72 0.281 14.114 -1.129 538 HB3 CYS 72 2HB CYS 72 1.216 15.384 -0.318 539 HG CYS 72 HG CYS 72 2.721 13.361 -0.240 540 H GLN 73 H GLN 73 0.587 16.990 1.472 541 HA GLN 73 HA GLN 73 1.466 16.409 4.051 542 HB2 GLN 73 1HB GLN 73 0.749 18.927 2.497 543 HB3 GLN 73 2HB GLN 73 1.179 19.067 4.188 544 HG2 GLN 73 1HG GLN 73 3.346 18.058 3.836 545 HG3 GLN 73 2HG GLN 73 2.983 17.705 2.159 546 HE21 GLN 73 1HE2 GLN 73 3.760 19.248 0.735 547 HE22 GLN 73 2HE2 GLN 73 4.056 20.944 1.090 548 H LYS 74 H LYS 74 -1.914 17.070 3.144 549 HA LYS 74 HA LYS 74 -2.636 17.760 5.910 550 HB2 LYS 74 1HB LYS 74 -4.415 17.237 3.467 551 HB3 LYS 74 2HB LYS 74 -4.901 17.908 5.005 552 HG2 LYS 74 1HG LYS 74 -3.058 19.738 4.451 553 HG3 LYS 74 2HG LYS 74 -3.159 19.032 2.816 554 HD2 LYS 74 1HD LYS 74 -5.736 19.416 3.056 555 HD3 LYS 74 2HD LYS 74 -5.334 20.392 4.461 556 HE2 LYS 74 1HE LYS 74 -5.598 21.840 2.577 557 HE3 LYS 74 2HE LYS 74 -3.886 21.828 3.053 558 HZ1 LYS 74 3HZ LYS 74 -4.891 20.103 0.880 559 HZ2 LYS 74 1HZ LYS 74 -3.343 20.569 1.171 560 HZ3 LYS 74 2HZ LYS 74 -4.433 21.632 0.577 561 H ALA 75 H ALA 75 -3.234 15.194 3.492 562 HA ALA 75 HA ALA 75 -4.683 13.477 5.201 563 HB1 ALA 75 1HB ALA 75 -4.628 13.319 2.726 564 HB2 ALA 75 2HB ALA 75 -2.930 12.775 2.792 565 HB3 ALA 75 3HB ALA 75 -4.216 11.771 3.494 566 H MET 76 H MET 76 -1.127 13.702 4.649 567 HA MET 76 HA MET 76 -0.482 11.246 5.647 568 HB2 MET 76 1HB MET 76 1.710 11.883 5.573 569 HB3 MET 76 2HB MET 76 1.046 13.211 4.652 570 HG2 MET 76 1HG MET 76 2.615 14.191 5.989 571 HG3 MET 76 2HG MET 76 1.138 14.534 6.853 572 HE1 MET 76 3HE MET 76 4.494 11.564 8.220 573 HE2 MET 76 1HE MET 76 3.417 11.067 6.920 574 HE3 MET 76 2HE MET 76 4.500 12.450 6.686 575 H GLN 77 H GLN 77 -1.136 14.104 7.516 576 HA GLN 77 HA GLN 77 -0.480 12.754 10.051 577 HB2 GLN 77 1HB GLN 77 -0.985 15.116 10.971 578 HB3 GLN 77 2HB GLN 77 0.487 14.872 10.032 579 HG2 GLN 77 1HG GLN 77 -0.526 15.832 8.055 580 HG3 GLN 77 2HG GLN 77 -2.100 15.969 8.859 581 HE21 GLN 77 1HE2 GLN 77 1.223 17.285 8.785 582 HE22 GLN 77 2HE2 GLN 77 0.826 18.736 9.680 583 H GLY 78 H GLY 78 -3.310 14.301 8.396 584 HA2 GLY 78 1HA GLY 78 -5.072 14.074 10.615 585 HA3 GLY 78 2HA GLY 78 -5.533 14.278 8.918 586 H LEU 79 H LEU 79 -3.818 11.611 8.593 587 HA LEU 79 HA LEU 79 -5.926 9.687 9.447 588 HB2 LEU 79 1HB LEU 79 -4.523 9.985 6.779 589 HB3 LEU 79 2HB LEU 79 -5.489 8.584 7.219 590 HG LEU 79 HG LEU 79 -6.670 11.386 7.274 591 HD11 LEU 79 1HD1 LEU 79 -6.362 11.458 5.077 592 HD12 LEU 79 2HD1 LEU 79 -7.710 10.283 5.003 593 HD13 LEU 79 3HD1 LEU 79 -6.025 9.750 4.925 594 HD21 LEU 79 3HD2 LEU 79 -7.774 8.569 7.436 595 HD22 LEU 79 1HD2 LEU 79 -8.787 9.948 6.973 596 HD23 LEU 79 2HD2 LEU 79 -7.995 9.929 8.556 597 H THR 80 H THR 80 -2.789 10.439 10.213 598 HA THR 80 HA THR 80 -1.698 7.766 9.832 599 HB THR 80 HB THR 80 -0.330 9.907 10.169 600 HG1 THR 80 1HG THR 80 1.168 8.585 10.416 601 HG21 THR 80 3HG2 THR 80 -1.343 10.564 12.372 602 HG22 THR 80 1HG2 THR 80 0.423 10.393 12.369 603 HG23 THR 80 2HG2 THR 80 -0.568 9.110 13.076 604 H GLY 81 H GLY 81 -1.779 6.046 11.431 605 HA2 GLY 81 1HA GLY 81 -2.337 5.006 13.381 606 HA3 GLY 81 2HA GLY 81 -2.915 6.526 14.055 607 H ARG 82 H ARG 82 -4.466 6.162 11.023 608 HA ARG 82 HA ARG 82 -6.891 5.088 12.167 609 HB2 ARG 82 1HB ARG 82 -6.236 6.671 9.897 610 HB3 ARG 82 2HB ARG 82 -6.741 5.119 9.246 611 HG2 ARG 82 1HG ARG 82 -8.632 5.485 11.176 612 HG3 ARG 82 2HG ARG 82 -8.249 7.184 10.831 613 HD2 ARG 82 1HD ARG 82 -8.790 6.786 8.455 614 HD3 ARG 82 2HD ARG 82 -9.068 5.073 8.821 615 HE ARG 82 HE ARG 82 -10.710 6.642 10.541 616 HH11 ARG 82 1HH1 ARG 82 -10.526 5.747 7.078 617 HH12 ARG 82 2HH1 ARG 82 -12.252 5.767 6.899 618 HH21 ARG 82 1HH2 ARG 82 -12.937 6.509 10.287 619 HH22 ARG 82 2HH2 ARG 82 -13.598 5.964 8.757 620 H LYS 83 H LYS 83 -7.776 3.261 10.297 621 HA LYS 83 HA LYS 83 -5.723 1.199 10.123 622 HB2 LYS 83 1HB LYS 83 -8.623 0.542 10.652 623 HB3 LYS 83 2HB LYS 83 -7.255 -0.538 10.560 624 HG2 LYS 83 1HG LYS 83 -7.656 -0.457 12.812 625 HG3 LYS 83 2HG LYS 83 -6.347 0.731 12.678 626 HD2 LYS 83 1HD LYS 83 -8.018 2.545 12.827 627 HD3 LYS 83 2HD LYS 83 -9.329 1.361 12.645 628 HE2 LYS 83 1HE LYS 83 -8.778 0.393 14.822 629 HE3 LYS 83 2HE LYS 83 -7.395 1.497 14.997 630 HZ1 LYS 83 3HZ LYS 83 -9.390 2.354 16.125 631 HZ2 LYS 83 1HZ LYS 83 -10.203 2.376 14.678 632 HZ3 LYS 83 2HZ LYS 83 -8.906 3.349 14.935 633 H PHE 84 H PHE 84 -5.807 0.259 8.042 634 HA PHE 84 HA PHE 84 -7.837 1.402 6.154 635 HB2 PHE 84 1HB PHE 84 -4.916 0.812 6.015 636 HB3 PHE 84 2HB PHE 84 -5.850 0.498 4.558 637 HD1 PHE 84 2HD PHE 84 -6.699 3.348 6.870 638 HD2 PHE 84 1HD PHE 84 -4.678 2.121 3.238 639 HE1 PHE 84 2HE PHE 84 -6.695 5.613 6.105 640 HE2 PHE 84 1HE PHE 84 -4.634 4.526 2.518 641 HZ PHE 84 HZ PHE 84 -5.791 6.195 3.831 642 H ALA 85 H ALA 85 -7.812 -0.960 7.976 643 HA ALA 85 HA ALA 85 -9.499 -2.657 6.578 644 HB1 ALA 85 1HB ALA 85 -6.663 -3.736 6.904 645 HB2 ALA 85 2HB ALA 85 -8.088 -4.790 6.894 646 HB3 ALA 85 3HB ALA 85 -7.716 -3.802 5.477 647 H ASN 86 H ASN 86 -6.949 -3.206 8.977 648 HA ASN 86 HA ASN 86 -8.894 -3.011 11.228 649 HB2 ASN 86 1HB ASN 86 -9.255 -5.259 10.488 650 HB3 ASN 86 2HB ASN 86 -7.542 -5.516 10.156 651 HD21 ASN 86 1HD2 ASN 86 -9.701 -4.793 12.988 652 HD22 ASN 86 2HD2 ASN 86 -8.612 -5.549 14.137 653 H ARG 87 H ARG 87 -5.563 -2.894 10.075 654 HA ARG 87 HA ARG 87 -4.648 -2.861 12.923 655 HB2 ARG 87 1HB ARG 87 -2.928 -3.477 10.515 656 HB3 ARG 87 2HB ARG 87 -2.536 -3.692 12.236 657 HG2 ARG 87 1HG ARG 87 -4.540 -5.266 12.367 658 HG3 ARG 87 2HG ARG 87 -4.597 -5.147 10.611 659 HD2 ARG 87 1HD ARG 87 -3.363 -7.027 10.660 660 HD3 ARG 87 2HD ARG 87 -2.022 -5.900 10.834 661 HE ARG 87 HE ARG 87 -1.590 -6.973 12.789 662 HH11 ARG 87 1HH1 ARG 87 -5.166 -7.177 12.438 663 HH12 ARG 87 2HH1 ARG 87 -5.314 -8.279 13.742 664 HH21 ARG 87 1HH2 ARG 87 -1.877 -8.271 14.551 665 HH22 ARG 87 2HH2 ARG 87 -3.419 -8.954 14.976 666 H VAL 88 H VAL 88 -2.648 -1.636 13.234 667 HA VAL 88 HA VAL 88 -3.661 1.080 12.922 668 HB VAL 88 HB VAL 88 -1.103 0.304 14.395 669 HG11 VAL 88 1HG1 VAL 88 -1.713 2.285 15.774 670 HG12 VAL 88 2HG1 VAL 88 -1.526 2.734 14.081 671 HG13 VAL 88 3HG1 VAL 88 -3.154 2.558 14.775 672 HG21 VAL 88 3HG2 VAL 88 -2.864 -1.170 15.296 673 HG22 VAL 88 1HG2 VAL 88 -2.488 0.105 16.450 674 HG23 VAL 88 2HG2 VAL 88 -3.960 0.229 15.469 675 H VAL 89 H VAL 89 -3.255 2.184 11.117 676 HA VAL 89 HA VAL 89 -0.994 1.633 9.429 677 HB VAL 89 HB VAL 89 -3.196 3.722 9.377 678 HG11 VAL 89 1HG1 VAL 89 -1.506 4.774 8.129 679 HG12 VAL 89 2HG1 VAL 89 -0.966 3.251 7.390 680 HG13 VAL 89 3HG1 VAL 89 -2.530 3.979 6.931 681 HG21 VAL 89 3HG2 VAL 89 -4.055 2.337 7.521 682 HG22 VAL 89 1HG2 VAL 89 -2.768 1.147 7.840 683 HG23 VAL 89 2HG2 VAL 89 -3.989 1.458 9.052 684 H VAL 90 H VAL 90 0.840 2.838 9.110 685 HA VAL 90 HA VAL 90 1.257 5.282 10.769 686 HB VAL 90 HB VAL 90 3.306 3.090 10.190 687 HG11 VAL 90 1HG1 VAL 90 4.298 5.363 10.390 688 HG12 VAL 90 2HG1 VAL 90 3.478 5.582 11.951 689 HG13 VAL 90 3HG1 VAL 90 4.741 4.347 11.769 690 HG21 VAL 90 3HG2 VAL 90 3.260 2.582 12.580 691 HG22 VAL 90 1HG2 VAL 90 1.939 3.751 12.823 692 HG23 VAL 90 2HG2 VAL 90 1.674 2.287 11.872 693 H THR 91 H THR 91 1.801 6.986 9.457 694 HA THR 91 HA THR 91 2.092 6.463 6.597 695 HB THR 91 HB THR 91 1.897 8.996 6.549 696 HG1 THR 91 1HG THR 91 1.054 9.929 8.442 697 HG21 THR 91 3HG2 THR 91 -0.368 7.474 7.927 698 HG22 THR 91 1HG2 THR 91 -0.034 7.443 6.190 699 HG23 THR 91 2HG2 THR 91 -0.534 8.947 6.955 700 H LYS 92 H LYS 92 3.750 7.375 5.336 701 HA LYS 92 HA LYS 92 6.111 8.629 6.548 702 HB2 LYS 92 1HB LYS 92 6.034 5.841 5.471 703 HB3 LYS 92 2HB LYS 92 7.088 6.882 4.551 704 HG2 LYS 92 1HG LYS 92 8.195 7.527 6.786 705 HG3 LYS 92 2HG LYS 92 7.290 6.206 7.490 706 HD2 LYS 92 1HD LYS 92 9.620 5.573 6.882 707 HD3 LYS 92 2HD LYS 92 8.415 4.593 6.061 708 HE2 LYS 92 1HE LYS 92 10.279 5.172 4.574 709 HE3 LYS 92 2HE LYS 92 8.749 5.784 3.971 710 HZ1 LYS 92 3HZ LYS 92 10.345 7.447 3.679 711 HZ2 LYS 92 1HZ LYS 92 10.886 7.385 5.232 712 HZ3 LYS 92 2HZ LYS 92 9.397 7.995 4.881 713 H TYR 93 H TYR 93 7.176 9.944 4.782 714 HA TYR 93 HA TYR 93 5.561 10.220 2.305 715 HB2 TYR 93 1HB TYR 93 8.204 11.408 3.185 716 HB3 TYR 93 2HB TYR 93 7.538 11.622 1.566 717 HD1 TYR 93 1HD TYR 93 4.888 12.388 1.569 718 HD2 TYR 93 2HD TYR 93 7.797 13.146 4.685 719 HE1 TYR 93 1HE TYR 93 3.485 14.219 2.456 720 HE2 TYR 93 2HE TYR 93 6.389 14.980 5.563 721 HH TYR 93 HH TYR 93 4.395 16.167 5.319 722 H CYS 94 H CYS 94 6.368 9.555 0.223 723 HA CYS 94 HA CYS 94 8.671 7.718 0.238 724 HB2 CYS 94 1HB CYS 94 5.947 7.030 -0.452 725 HB3 CYS 94 2HB CYS 94 6.841 7.151 -1.962 726 HG CYS 94 HG CYS 94 8.017 5.122 -1.790 727 H ASP 95 H ASP 95 9.111 7.661 -2.489 728 HA ASP 95 HA ASP 95 9.140 10.530 -3.281 729 HB2 ASP 95 1HB ASP 95 11.294 8.459 -3.753 730 HB3 ASP 95 2HB ASP 95 11.235 10.042 -4.513 731 HA PRO 96 HA PRO 96 6.606 8.930 -6.355 732 HB2 PRO 96 1HB PRO 96 6.480 10.876 -8.240 733 HB3 PRO 96 2HB PRO 96 5.913 11.141 -6.575 734 HG2 PRO 96 1HG PRO 96 8.572 11.792 -7.745 735 HG3 PRO 96 2HG PRO 96 7.555 12.884 -6.817 736 HD2 PRO 96 1HD PRO 96 9.583 11.601 -5.596 737 HD3 PRO 96 2HD PRO 96 7.985 11.763 -4.788 738 H ASP 97 H ASP 97 9.929 9.660 -7.479 739 HA ASP 97 HA ASP 97 9.686 8.525 -10.093 740 HB2 ASP 97 1HB ASP 97 11.834 9.358 -8.377 741 HB3 ASP 97 2HB ASP 97 12.171 7.721 -8.869 742 H SER 98 H SER 98 10.817 7.053 -7.047 743 HA SER 98 HA SER 98 10.608 4.400 -7.955 744 HB2 SER 98 1HB SER 98 11.023 4.008 -5.400 745 HB3 SER 98 2HB SER 98 12.263 4.817 -6.371 746 HG SER 98 HG SER 98 10.492 5.931 -4.487 747 H TYR 99 H TYR 99 8.098 6.301 -7.804 748 HA TYR 99 HA TYR 99 6.296 4.442 -6.389 749 HB2 TYR 99 1HB TYR 99 6.092 6.857 -5.784 750 HB3 TYR 99 2HB TYR 99 5.647 7.211 -7.457 751 HD1 TYR 99 1HD TYR 99 3.553 6.225 -8.486 752 HD2 TYR 99 2HD TYR 99 4.440 6.175 -4.249 753 HE1 TYR 99 1HE TYR 99 1.230 5.660 -8.004 754 HE2 TYR 99 2HE TYR 99 2.071 5.663 -3.802 755 HH TYR 99 HH TYR 99 -0.132 4.661 -6.374 756 H HIS 100 H HIS 100 6.554 6.310 -9.449 757 HA HIS 100 HA HIS 100 4.491 4.964 -10.791 758 HB2 HIS 100 1HB HIS 100 6.984 6.334 -11.905 759 HB3 HIS 100 2HB HIS 100 5.532 5.955 -12.816 760 HD1 HIS 100 1HD HIS 100 6.883 8.567 -10.417 761 HD2 HIS 100 2HD HIS 100 3.223 7.306 -11.997 762 HE1 HIS 100 1HE HIS 100 5.350 10.545 -10.202 763 H ARG 101 H ARG 101 7.940 4.180 -10.572 764 HA ARG 101 HA ARG 101 7.744 2.053 -12.627 765 HB2 ARG 101 1HB ARG 101 10.090 3.150 -10.981 766 HB3 ARG 101 2HB ARG 101 10.215 1.835 -12.157 767 HG2 ARG 101 1HG ARG 101 9.026 3.520 -13.794 768 HG3 ARG 101 2HG ARG 101 9.640 4.745 -12.671 769 HD2 ARG 101 1HD ARG 101 11.953 3.902 -13.044 770 HD3 ARG 101 2HD ARG 101 11.320 2.582 -14.038 771 HE ARG 101 HE ARG 101 10.878 3.984 -15.781 772 HH11 ARG 101 1HH1 ARG 101 11.838 5.960 -12.958 773 HH12 ARG 101 2HH1 ARG 101 11.961 7.432 -13.874 774 HH21 ARG 101 1HH2 ARG 101 10.793 6.067 -16.883 775 HH22 ARG 101 2HH2 ARG 101 11.376 7.476 -16.017 776 H ARG 102 H ARG 102 9.410 0.109 -11.601 777 HA ARG 102 HA ARG 102 8.067 -0.793 -9.115 778 HB2 ARG 102 1HB ARG 102 8.070 -2.004 -11.590 779 HB3 ARG 102 2HB ARG 102 9.410 -2.839 -10.782 780 HG2 ARG 102 1HG ARG 102 7.886 -3.343 -8.888 781 HG3 ARG 102 2HG ARG 102 6.570 -2.461 -9.754 782 HD2 ARG 102 1HD ARG 102 6.630 -4.105 -11.568 783 HD3 ARG 102 2HD ARG 102 8.063 -4.798 -10.773 784 HE ARG 102 HE ARG 102 6.796 -6.218 -9.749 785 HH11 ARG 102 1HH1 ARG 102 4.771 -3.318 -9.934 786 HH12 ARG 102 2HH1 ARG 102 3.537 -3.930 -8.919 787 HH21 ARG 102 1HH2 ARG 102 5.122 -7.200 -8.912 788 HH22 ARG 102 2HH2 ARG 102 3.589 -6.440 -8.557 789 H ASP 103 H ASP 103 10.240 1.005 -9.036 790 HA ASP 103 HA ASP 103 12.752 -0.420 -8.399 791 HB2 ASP 103 1HB ASP 103 12.588 1.821 -9.693 792 HB3 ASP 103 2HB ASP 103 12.074 2.558 -8.199 793 H PHE 104 H PHE 104 10.466 -1.090 -6.718 794 HA PHE 104 HA PHE 104 10.493 0.513 -4.282 795 HB2 PHE 104 1HB PHE 104 9.529 -2.325 -4.488 796 HB3 PHE 104 2HB PHE 104 8.943 -1.066 -3.433 797 HD1 PHE 104 1HD PHE 104 8.182 1.163 -5.105 798 HD2 PHE 104 2HD PHE 104 7.917 -3.062 -5.958 799 HE1 PHE 104 1HE PHE 104 6.462 1.607 -6.847 800 HE2 PHE 104 2HE PHE 104 6.216 -2.631 -7.662 801 HZ PHE 104 HZ PHE 104 5.506 -0.240 -8.157 802 H TRP 105 H TRP 105 11.051 -0.548 -2.106 803 HA TRP 105 HA TRP 105 12.801 -2.808 -2.074 804 HB2 TRP 105 1HB TRP 105 14.178 -0.561 -2.547 805 HB3 TRP 105 2HB TRP 105 13.913 -0.300 -0.846 806 HD1 TRP 105 HD TRP 105 14.915 -3.454 -2.812 807 HE1 TRP 105 1HE TRP 105 17.115 -4.333 -1.989 808 HE3 TRP 105 3HE TRP 105 15.806 0.038 0.802 809 HZ2 TRP 105 2HZ TRP 105 19.182 -3.490 -0.110 810 HZ3 TRP 105 3HZ TRP 105 17.977 0.076 2.006 811 HH2 TRP 105 HH TRP 105 19.681 -1.697 1.564 Start of MODEL 20 1 H1 GLY 1 H GLY 1 14.919 14.732 8.852 2 HA2 GLY 1 1HA GLY 1 15.516 13.762 6.726 3 HA3 GLY 1 2HA GLY 1 13.748 13.727 6.937 4 H GLY 2 H GLY 2 14.017 13.505 4.527 5 HA2 GLY 2 1HA GLY 2 14.904 15.722 2.926 6 HA3 GLY 2 2HA GLY 2 14.027 14.284 2.377 7 H HIS 3 H HIS 3 13.205 16.191 0.998 8 HA HIS 3 HA HIS 3 11.319 18.040 2.086 9 HB2 HIS 3 1HB HIS 3 10.815 18.470 -0.304 10 HB3 HIS 3 2HB HIS 3 12.525 18.539 0.076 11 HD1 HIS 3 1HD HIS 3 14.088 16.476 -0.967 12 HD2 HIS 3 2HD HIS 3 10.030 16.722 -2.149 13 HE1 HIS 3 1HE HIS 3 13.859 15.079 -3.031 14 HA PRO 4 HA PRO 4 7.585 15.482 1.998 15 HB2 PRO 4 1HB PRO 4 5.652 17.332 1.367 16 HB3 PRO 4 2HB PRO 4 6.437 17.294 2.979 17 HG2 PRO 4 1HG PRO 4 7.121 19.055 0.606 18 HG3 PRO 4 2HG PRO 4 6.890 19.543 2.309 19 HD2 PRO 4 1HD PRO 4 9.362 19.107 1.256 20 HD3 PRO 4 2HD PRO 4 8.997 18.631 2.939 21 H THR 5 H THR 5 6.304 14.432 0.300 22 HA THR 5 HA THR 5 6.739 15.447 -2.447 23 HB THR 5 HB THR 5 6.797 13.020 -3.119 24 HG1 THR 5 1HG THR 5 7.168 11.555 -1.295 25 HG21 THR 5 3HG2 THR 5 9.072 12.493 -2.211 26 HG22 THR 5 1HG2 THR 5 8.953 13.829 -1.070 27 HG23 THR 5 2HG2 THR 5 8.967 14.159 -2.819 28 H GLU 6 H GLU 6 5.152 14.315 -3.914 29 HA GLU 6 HA GLU 6 2.437 14.540 -3.045 30 HB2 GLU 6 1HB GLU 6 3.119 15.187 -5.221 31 HB3 GLU 6 2HB GLU 6 3.828 13.602 -5.564 32 HG2 GLU 6 1HG GLU 6 1.734 12.579 -5.766 33 HG3 GLU 6 2HG GLU 6 0.876 13.934 -4.995 34 H VAL 7 H VAL 7 4.583 12.195 -2.201 35 HA VAL 7 HA VAL 7 2.932 9.841 -2.918 36 HB VAL 7 HB VAL 7 5.926 10.310 -3.201 37 HG11 VAL 7 1HG1 VAL 7 6.020 8.230 -4.384 38 HG12 VAL 7 2HG1 VAL 7 5.303 7.917 -2.811 39 HG13 VAL 7 3HG1 VAL 7 4.265 7.998 -4.263 40 HG21 VAL 7 3HG2 VAL 7 4.868 11.574 -4.928 41 HG22 VAL 7 1HG2 VAL 7 5.152 10.010 -5.707 42 HG23 VAL 7 2HG2 VAL 7 3.553 10.393 -5.125 43 H LEU 8 H LEU 8 2.281 8.763 -1.188 44 HA LEU 8 HA LEU 8 3.892 8.768 1.306 45 HB2 LEU 8 1HB LEU 8 1.060 9.524 0.756 46 HB3 LEU 8 2HB LEU 8 1.264 8.365 2.030 47 HG LEU 8 HG LEU 8 3.244 10.160 2.737 48 HD11 LEU 8 1HD1 LEU 8 2.710 11.713 0.922 49 HD12 LEU 8 2HD1 LEU 8 2.375 12.403 2.535 50 HD13 LEU 8 3HD1 LEU 8 1.031 11.827 1.521 51 HD21 LEU 8 3HD2 LEU 8 0.503 9.628 3.630 52 HD22 LEU 8 1HD2 LEU 8 1.042 11.263 3.990 53 HD23 LEU 8 2HD2 LEU 8 2.018 9.903 4.537 54 H CYS 9 H CYS 9 3.974 6.879 2.418 55 HA CYS 9 HA CYS 9 2.762 4.475 1.129 56 HB2 CYS 9 1HB CYS 9 5.116 4.722 0.375 57 HB3 CYS 9 2HB CYS 9 5.633 4.788 2.088 58 HG CYS 9 HG CYS 9 4.578 2.350 0.147 59 H LEU 10 H LEU 10 1.813 3.151 2.369 60 HA LEU 10 HA LEU 10 1.613 3.793 5.245 61 HB2 LEU 10 1HB LEU 10 -0.403 2.616 3.284 62 HB3 LEU 10 2HB LEU 10 -0.656 3.132 4.948 63 HG LEU 10 HG LEU 10 -1.651 4.613 3.421 64 HD11 LEU 10 1HD1 LEU 10 -0.703 6.736 4.332 65 HD12 LEU 10 2HD1 LEU 10 0.635 5.751 5.015 66 HD13 LEU 10 3HD1 LEU 10 -1.007 5.484 5.542 67 HD21 LEU 10 3HD2 LEU 10 0.931 5.644 2.353 68 HD22 LEU 10 1HD2 LEU 10 -0.711 5.989 1.848 69 HD23 LEU 10 2HD2 LEU 10 -0.029 4.378 1.541 70 H MET 11 H MET 11 2.560 2.267 6.432 71 HA MET 11 HA MET 11 2.945 -0.508 5.515 72 HB2 MET 11 1HB MET 11 3.573 1.079 7.995 73 HB3 MET 11 2HB MET 11 3.969 -0.605 7.899 74 HG2 MET 11 1HG MET 11 5.574 -0.287 6.186 75 HG3 MET 11 2HG MET 11 4.947 1.312 5.778 76 HE1 MET 11 3HE MET 11 6.064 3.662 8.548 77 HE2 MET 11 1HE MET 11 6.039 3.611 6.776 78 HE3 MET 11 2HE MET 11 4.617 3.103 7.706 79 H ASN 12 H ASN 12 2.455 -2.281 7.138 80 HA ASN 12 HA ASN 12 1.165 -3.514 8.511 81 HB2 ASN 12 1HB ASN 12 -0.009 -0.942 9.593 82 HB3 ASN 12 2HB ASN 12 0.083 -2.504 10.395 83 HD21 ASN 12 1HD2 ASN 12 0.993 -0.007 11.459 84 HD22 ASN 12 2HD2 ASN 12 2.679 -0.248 11.851 85 H MET 13 H MET 13 0.037 -2.428 5.901 86 HA MET 13 HA MET 13 -2.734 -1.834 6.441 87 HB2 MET 13 1HB MET 13 -1.057 -0.932 4.630 88 HB3 MET 13 2HB MET 13 -1.543 -2.301 3.675 89 HG2 MET 13 1HG MET 13 -3.545 -1.360 3.182 90 HG3 MET 13 2HG MET 13 -3.863 -0.934 4.859 91 HE1 MET 13 3HE MET 13 -1.228 1.134 5.577 92 HE2 MET 13 1HE MET 13 -2.569 2.317 5.633 93 HE3 MET 13 2HE MET 13 -2.816 0.631 6.131 94 H VAL 14 H VAL 14 -1.266 -4.155 4.263 95 HA VAL 14 HA VAL 14 -3.454 -6.136 4.498 96 HB VAL 14 HB VAL 14 -2.506 -6.819 2.230 97 HG11 VAL 14 1HG1 VAL 14 -3.595 -4.962 1.006 98 HG12 VAL 14 2HG1 VAL 14 -4.531 -5.432 2.424 99 HG13 VAL 14 3HG1 VAL 14 -3.557 -3.956 2.467 100 HG21 VAL 14 3HG2 VAL 14 -1.004 -4.146 2.368 101 HG22 VAL 14 1HG2 VAL 14 -0.251 -5.760 2.390 102 HG23 VAL 14 2HG2 VAL 14 -1.157 -5.186 0.976 103 H LEU 15 H LEU 15 -2.081 -8.487 3.735 104 HA LEU 15 HA LEU 15 0.411 -8.540 5.325 105 HB2 LEU 15 1HB LEU 15 -1.609 -10.812 5.295 106 HB3 LEU 15 2HB LEU 15 -0.085 -10.805 6.110 107 HG LEU 15 HG LEU 15 -2.386 -8.949 6.832 108 HD11 LEU 15 1HD1 LEU 15 -1.415 -11.484 8.180 109 HD12 LEU 15 2HD1 LEU 15 -2.955 -11.270 7.334 110 HD13 LEU 15 3HD1 LEU 15 -2.645 -10.388 8.834 111 HD21 LEU 15 3HD2 LEU 15 0.149 -9.559 8.419 112 HD22 LEU 15 1HD2 LEU 15 -1.149 -8.413 8.848 113 HD23 LEU 15 2HD2 LEU 15 -0.087 -8.080 7.484 114 HA PRO 16 HA PRO 16 1.798 -10.505 1.544 115 HB2 PRO 16 1HB PRO 16 3.820 -12.118 2.441 116 HB3 PRO 16 2HB PRO 16 3.944 -10.329 2.372 117 HG2 PRO 16 1HG PRO 16 3.233 -12.054 4.762 118 HG3 PRO 16 2HG PRO 16 4.450 -10.746 4.665 119 HD2 PRO 16 1HD PRO 16 1.952 -10.298 5.618 120 HD3 PRO 16 2HD PRO 16 2.769 -9.070 4.619 121 H GLU 17 H GLU 17 0.021 -12.091 3.978 122 HA GLU 17 HA GLU 17 0.126 -14.698 2.589 123 HB2 GLU 17 1HB GLU 17 -0.866 -14.537 5.397 124 HB3 GLU 17 2HB GLU 17 0.054 -15.793 4.587 125 HG2 GLU 17 1HG GLU 17 2.036 -14.038 4.753 126 HG3 GLU 17 2HG GLU 17 1.021 -13.270 5.950 127 H GLU 18 H GLU 18 -1.601 -12.076 2.387 128 HA GLU 18 HA GLU 18 -4.227 -13.486 2.184 129 HB2 GLU 18 1HB GLU 18 -3.795 -10.618 2.993 130 HB3 GLU 18 2HB GLU 18 -5.338 -11.458 2.918 131 HG2 GLU 18 1HG GLU 18 -3.253 -12.444 4.887 132 HG3 GLU 18 2HG GLU 18 -4.057 -10.917 5.185 133 H LEU 19 H LEU 19 -1.892 -11.478 0.696 134 HA LEU 19 HA LEU 19 -3.685 -10.158 -1.231 135 HB2 LEU 19 1HB LEU 19 -0.675 -10.373 -0.880 136 HB3 LEU 19 2HB LEU 19 -1.406 -9.472 -2.220 137 HG LEU 19 HG LEU 19 -1.888 -8.767 0.689 138 HD11 LEU 19 1HD1 LEU 19 0.045 -7.566 -1.349 139 HD12 LEU 19 2HD1 LEU 19 0.520 -8.610 0.013 140 HD13 LEU 19 3HD1 LEU 19 -0.186 -7.032 0.315 141 HD21 LEU 19 3HD2 LEU 19 -2.453 -7.329 -1.952 142 HD22 LEU 19 1HD2 LEU 19 -2.609 -6.589 -0.351 143 HD23 LEU 19 2HD2 LEU 19 -3.654 -7.937 -0.800 144 H LEU 20 H LEU 20 -4.423 -12.485 -1.686 145 HA LEU 20 HA LEU 20 -2.719 -13.836 -3.758 146 HB2 LEU 20 1HB LEU 20 -4.169 -14.986 -1.383 147 HB3 LEU 20 2HB LEU 20 -3.350 -15.954 -2.606 148 HG LEU 20 HG LEU 20 -1.886 -13.835 -0.952 149 HD11 LEU 20 1HD1 LEU 20 -2.950 -15.294 0.619 150 HD12 LEU 20 2HD1 LEU 20 -1.203 -15.517 0.595 151 HD13 LEU 20 3HD1 LEU 20 -2.249 -16.724 -0.193 152 HD21 LEU 20 3HD2 LEU 20 0.106 -15.149 -1.477 153 HD22 LEU 20 1HD2 LEU 20 -0.689 -14.572 -2.947 154 HD23 LEU 20 2HD2 LEU 20 -0.873 -16.271 -2.450 155 H ASP 21 H ASP 21 -5.822 -12.559 -3.043 156 HA ASP 21 HA ASP 21 -6.910 -13.870 -5.465 157 HB2 ASP 21 1HB ASP 21 -8.294 -13.312 -2.848 158 HB3 ASP 21 2HB ASP 21 -9.171 -13.115 -4.366 159 H ASP 22 H ASP 22 -8.072 -12.508 -6.764 160 HA ASP 22 HA ASP 22 -6.921 -9.818 -6.949 161 HB2 ASP 22 1HB ASP 22 -7.057 -11.626 -8.771 162 HB3 ASP 22 2HB ASP 22 -8.795 -11.330 -8.820 163 H GLU 23 H GLU 23 -9.751 -11.206 -5.749 164 HA GLU 23 HA GLU 23 -11.647 -9.241 -6.778 165 HB2 GLU 23 1HB GLU 23 -12.144 -11.625 -4.942 166 HB3 GLU 23 2HB GLU 23 -13.319 -10.755 -5.946 167 HG2 GLU 23 1HG GLU 23 -11.764 -11.484 -7.872 168 HG3 GLU 23 2HG GLU 23 -11.011 -12.598 -6.730 169 H GLU 24 H GLU 24 -10.918 -10.531 -3.538 170 HA GLU 24 HA GLU 24 -12.014 -8.553 -1.906 171 HB2 GLU 24 1HB GLU 24 -10.726 -10.884 -1.547 172 HB3 GLU 24 2HB GLU 24 -9.326 -9.863 -1.337 173 HG2 GLU 24 1HG GLU 24 -10.428 -8.698 0.549 174 HG3 GLU 24 2HG GLU 24 -11.896 -9.667 0.289 175 H TYR 25 H TYR 25 -9.015 -8.689 -3.653 176 HA TYR 25 HA TYR 25 -7.596 -6.516 -2.561 177 HB2 TYR 25 1HB TYR 25 -6.571 -8.319 -3.760 178 HB3 TYR 25 2HB TYR 25 -7.541 -8.023 -5.192 179 HD1 TYR 25 2HD TYR 25 -7.255 -5.786 -6.412 180 HD2 TYR 25 1HD TYR 25 -4.361 -7.476 -3.672 181 HE1 TYR 25 2HE TYR 25 -5.532 -4.336 -7.391 182 HE2 TYR 25 1HE TYR 25 -2.593 -6.077 -4.728 183 HH TYR 25 HH TYR 25 -3.482 -3.327 -6.685 184 H GLU 26 H GLU 26 -10.177 -6.615 -5.064 185 HA GLU 26 HA GLU 26 -9.565 -3.901 -6.034 186 HB2 GLU 26 1HB GLU 26 -11.051 -6.205 -7.019 187 HB3 GLU 26 2HB GLU 26 -12.163 -4.832 -6.891 188 HG2 GLU 26 1HG GLU 26 -10.579 -3.429 -8.194 189 HG3 GLU 26 2HG GLU 26 -9.459 -4.786 -8.272 190 H GLU 27 H GLU 27 -11.929 -5.530 -3.976 191 HA GLU 27 HA GLU 27 -13.618 -3.321 -3.441 192 HB2 GLU 27 1HB GLU 27 -12.830 -5.521 -1.490 193 HB3 GLU 27 2HB GLU 27 -14.261 -4.497 -1.404 194 HG2 GLU 27 1HG GLU 27 -14.923 -5.507 -3.690 195 HG3 GLU 27 2HG GLU 27 -13.651 -6.707 -3.389 196 H ILE 28 H ILE 28 -10.515 -4.206 -2.029 197 HA ILE 28 HA ILE 28 -10.624 -2.219 0.087 198 HB ILE 28 HB ILE 28 -8.408 -3.974 -1.022 199 HG12 ILE 28 1HG1 ILE 28 -9.801 -4.157 1.687 200 HG13 ILE 28 2HG1 ILE 28 -10.428 -4.988 0.274 201 HG21 ILE 28 1HG2 ILE 28 -7.283 -2.087 -0.054 202 HG22 ILE 28 2HG2 ILE 28 -8.388 -2.066 1.348 203 HG23 ILE 28 3HG2 ILE 28 -7.177 -3.369 1.139 204 HD11 ILE 28 3HD1 ILE 28 -7.709 -5.480 1.548 205 HD12 ILE 28 1HD1 ILE 28 -9.109 -6.559 1.510 206 HD13 ILE 28 2HD1 ILE 28 -8.242 -6.191 0.009 207 H VAL 29 H VAL 29 -9.690 -2.051 -3.329 208 HA VAL 29 HA VAL 29 -8.066 0.362 -3.004 209 HB VAL 29 HB VAL 29 -9.430 -0.900 -5.411 210 HG11 VAL 29 1HG1 VAL 29 -7.596 1.529 -5.361 211 HG12 VAL 29 2HG1 VAL 29 -8.110 0.650 -6.817 212 HG13 VAL 29 3HG1 VAL 29 -9.307 1.505 -5.847 213 HG21 VAL 29 3HG2 VAL 29 -7.435 -2.113 -4.479 214 HG22 VAL 29 1HG2 VAL 29 -7.154 -1.470 -6.102 215 HG23 VAL 29 2HG2 VAL 29 -6.471 -0.641 -4.682 216 H GLU 30 H GLU 30 -11.488 -0.400 -3.786 217 HA GLU 30 HA GLU 30 -12.114 2.385 -4.178 218 HB2 GLU 30 1HB GLU 30 -13.713 -0.193 -4.056 219 HB3 GLU 30 2HB GLU 30 -14.507 1.365 -4.316 220 HG2 GLU 30 1HG GLU 30 -12.166 0.660 -6.093 221 HG3 GLU 30 2HG GLU 30 -13.669 -0.180 -6.351 222 H ASP 31 H ASP 31 -12.289 0.354 -1.336 223 HA ASP 31 HA ASP 31 -13.966 2.222 0.190 224 HB2 ASP 31 1HB ASP 31 -13.419 -0.132 1.012 225 HB3 ASP 31 2HB ASP 31 -11.786 0.412 1.304 226 H VAL 32 H VAL 32 -10.501 1.822 -0.325 227 HA VAL 32 HA VAL 32 -9.824 3.829 1.686 228 HB VAL 32 HB VAL 32 -8.247 2.215 -0.372 229 HG11 VAL 32 1HG1 VAL 32 -6.187 2.946 0.873 230 HG12 VAL 32 2HG1 VAL 32 -6.939 4.210 -0.098 231 HG13 VAL 32 3HG1 VAL 32 -7.202 4.198 1.662 232 HG21 VAL 32 3HG2 VAL 32 -9.178 0.959 1.547 233 HG22 VAL 32 1HG2 VAL 32 -7.418 1.032 1.657 234 HG23 VAL 32 2HG2 VAL 32 -8.418 2.092 2.682 235 H ARG 33 H ARG 33 -10.248 3.722 -1.834 236 HA ARG 33 HA ARG 33 -9.038 6.251 -2.254 237 HB2 ARG 33 1HB ARG 33 -9.289 4.691 -4.052 238 HB3 ARG 33 2HB ARG 33 -11.028 4.656 -3.902 239 HG2 ARG 33 1HG ARG 33 -11.228 6.910 -4.827 240 HG3 ARG 33 2HG ARG 33 -9.474 7.128 -4.759 241 HD2 ARG 33 1HD ARG 33 -9.223 5.154 -6.349 242 HD3 ARG 33 2HD ARG 33 -10.970 5.098 -6.483 243 HE ARG 33 HE ARG 33 -10.984 7.260 -7.492 244 HH11 ARG 33 1HH1 ARG 33 -7.839 5.577 -7.690 245 HH12 ARG 33 2HH1 ARG 33 -7.227 6.620 -8.926 246 HH21 ARG 33 1HH2 ARG 33 -10.063 8.666 -9.071 247 HH22 ARG 33 2HH2 ARG 33 -8.602 8.175 -9.900 248 H ASP 34 H ASP 34 -12.333 5.476 -1.165 249 HA ASP 34 HA ASP 34 -13.247 8.217 -1.254 250 HB2 ASP 34 1HB ASP 34 -14.927 6.538 -1.042 251 HB3 ASP 34 2HB ASP 34 -14.151 5.811 0.368 252 H GLU 35 H GLU 35 -11.894 6.151 1.392 253 HA GLU 35 HA GLU 35 -12.109 8.187 3.323 254 HB2 GLU 35 1HB GLU 35 -11.027 6.902 4.819 255 HB3 GLU 35 2HB GLU 35 -11.647 5.666 3.715 256 HG2 GLU 35 1HG GLU 35 -9.267 5.504 2.823 257 HG3 GLU 35 2HG GLU 35 -8.792 6.715 4.004 258 H CYS 36 H CYS 36 -9.466 7.415 1.156 259 HA CYS 36 HA CYS 36 -7.595 9.258 2.291 260 HB2 CYS 36 1HB CYS 36 -7.170 7.193 0.835 261 HB3 CYS 36 2HB CYS 36 -7.664 8.169 -0.538 262 HG CYS 36 HG CYS 36 -5.080 7.993 -0.554 263 H SER 37 H SER 37 -10.170 9.530 -0.243 264 HA SER 37 HA SER 37 -9.315 12.046 -1.221 265 HB2 SER 37 1HB SER 37 -10.842 10.428 -2.361 266 HB3 SER 37 2HB SER 37 -12.154 11.051 -1.352 267 HG SER 37 HG SER 37 -10.637 13.034 -2.490 268 H LYS 38 H LYS 38 -10.859 11.228 1.839 269 HA LYS 38 HA LYS 38 -12.218 13.639 2.388 270 HB2 LYS 38 1HB LYS 38 -10.600 11.858 4.235 271 HB3 LYS 38 2HB LYS 38 -11.672 13.145 4.780 272 HG2 LYS 38 1HG LYS 38 -13.579 12.045 3.725 273 HG3 LYS 38 2HG LYS 38 -12.555 10.737 3.118 274 HD2 LYS 38 1HD LYS 38 -11.939 10.126 5.415 275 HD3 LYS 38 2HD LYS 38 -12.969 11.407 6.064 276 HE2 LYS 38 1HE LYS 38 -13.932 9.075 4.340 277 HE3 LYS 38 2HE LYS 38 -13.999 9.086 6.106 278 HZ1 LYS 38 3HZ LYS 38 -15.568 10.868 6.038 279 HZ2 LYS 38 1HZ LYS 38 -16.075 9.738 4.948 280 HZ3 LYS 38 2HZ LYS 38 -15.363 11.102 4.425 281 H TYR 39 H TYR 39 -8.794 13.190 1.952 282 HA TYR 39 HA TYR 39 -8.196 15.806 3.247 283 HB2 TYR 39 1HB TYR 39 -6.353 13.482 2.651 284 HB3 TYR 39 2HB TYR 39 -5.945 14.934 3.546 285 HD1 TYR 39 1HD TYR 39 -8.086 11.835 3.666 286 HD2 TYR 39 2HD TYR 39 -6.443 15.147 5.863 287 HE1 TYR 39 1HE TYR 39 -9.044 10.930 5.717 288 HE2 TYR 39 2HE TYR 39 -7.345 14.195 7.975 289 HH TYR 39 HH TYR 39 -7.954 11.925 8.819 290 H GLY 40 H GLY 40 -8.832 14.755 0.136 291 HA2 GLY 40 1HA GLY 40 -7.776 16.766 -1.374 292 HA3 GLY 40 2HA GLY 40 -6.418 15.639 -1.173 293 H LEU 41 H LEU 41 -6.418 15.045 -3.388 294 HA LEU 41 HA LEU 41 -8.547 13.029 -3.956 295 HB2 LEU 41 1HB LEU 41 -8.642 15.169 -5.303 296 HB3 LEU 41 2HB LEU 41 -7.149 14.735 -6.015 297 HG LEU 41 HG LEU 41 -9.052 14.244 -7.453 298 HD11 LEU 41 1HD1 LEU 41 -8.060 11.533 -6.527 299 HD12 LEU 41 2HD1 LEU 41 -7.127 12.637 -7.571 300 HD13 LEU 41 3HD1 LEU 41 -8.698 11.992 -8.098 301 HD21 LEU 41 3HD2 LEU 41 -10.007 12.241 -5.376 302 HD22 LEU 41 1HD2 LEU 41 -10.764 12.645 -6.925 303 HD23 LEU 41 2HD2 LEU 41 -10.706 13.861 -5.625 304 H VAL 42 H VAL 42 -7.764 11.120 -4.000 305 HA VAL 42 HA VAL 42 -4.887 10.561 -4.190 306 HB VAL 42 HB VAL 42 -5.873 9.570 -2.353 307 HG11 VAL 42 1HG1 VAL 42 -7.819 7.907 -2.610 308 HG12 VAL 42 2HG1 VAL 42 -8.207 9.625 -2.637 309 HG13 VAL 42 3HG1 VAL 42 -8.145 8.712 -4.153 310 HG21 VAL 42 3HG2 VAL 42 -5.733 7.346 -4.413 311 HG22 VAL 42 1HG2 VAL 42 -4.343 8.133 -3.664 312 HG23 VAL 42 2HG2 VAL 42 -5.488 7.215 -2.659 313 H LYS 43 H LYS 43 -4.054 10.304 -5.992 314 HA LYS 43 HA LYS 43 -5.498 10.107 -8.465 315 HB2 LYS 43 1HB LYS 43 -3.428 11.449 -7.912 316 HB3 LYS 43 2HB LYS 43 -2.494 9.974 -7.874 317 HG2 LYS 43 1HG LYS 43 -2.618 9.646 -10.182 318 HG3 LYS 43 2HG LYS 43 -4.097 10.608 -10.364 319 HD2 LYS 43 1HD LYS 43 -3.015 12.640 -10.139 320 HD3 LYS 43 2HD LYS 43 -1.583 11.971 -9.354 321 HE2 LYS 43 1HE LYS 43 -2.149 11.028 -12.138 322 HE3 LYS 43 2HE LYS 43 -1.642 12.720 -11.965 323 HZ1 LYS 43 3HZ LYS 43 0.332 12.033 -10.864 324 HZ2 LYS 43 1HZ LYS 43 0.218 11.134 -12.231 325 HZ3 LYS 43 2HZ LYS 43 -0.162 10.471 -10.762 326 H SER 44 H SER 44 -2.949 7.988 -7.026 327 HA SER 44 HA SER 44 -4.347 5.601 -8.002 328 HB2 SER 44 1HB SER 44 -1.602 6.495 -9.000 329 HB3 SER 44 2HB SER 44 -2.143 4.811 -9.088 330 HG SER 44 HG SER 44 -2.543 6.131 -10.987 331 H ILE 45 H ILE 45 -3.424 3.551 -7.222 332 HA ILE 45 HA ILE 45 -1.726 3.846 -4.844 333 HB ILE 45 HB ILE 45 -4.359 2.300 -4.899 334 HG12 ILE 45 1HG1 ILE 45 -3.799 4.661 -3.066 335 HG13 ILE 45 2HG1 ILE 45 -4.384 4.921 -4.672 336 HG21 ILE 45 1HG2 ILE 45 -2.649 1.270 -3.474 337 HG22 ILE 45 2HG2 ILE 45 -2.267 2.846 -2.743 338 HG23 ILE 45 3HG2 ILE 45 -3.834 2.060 -2.434 339 HD11 ILE 45 3HD1 ILE 45 -6.274 4.855 -3.101 340 HD12 ILE 45 1HD1 ILE 45 -6.376 3.449 -4.184 341 HD13 ILE 45 2HD1 ILE 45 -5.780 3.254 -2.523 342 H GLU 46 H GLU 46 -0.398 2.259 -4.760 343 HA GLU 46 HA GLU 46 -0.403 -0.061 -6.697 344 HB2 GLU 46 1HB GLU 46 1.442 1.462 -7.185 345 HB3 GLU 46 2HB GLU 46 1.880 1.482 -5.506 346 HG2 GLU 46 1HG GLU 46 3.509 0.198 -6.316 347 HG3 GLU 46 2HG GLU 46 2.400 -1.050 -5.762 348 H ILE 47 H ILE 47 -0.773 -1.993 -5.760 349 HA ILE 47 HA ILE 47 0.015 -2.491 -2.938 350 HB ILE 47 HB ILE 47 -2.504 -3.546 -4.253 351 HG12 ILE 47 1HG1 ILE 47 -2.229 -1.164 -2.415 352 HG13 ILE 47 2HG1 ILE 47 -2.737 -1.123 -4.104 353 HG21 ILE 47 1HG2 ILE 47 -1.482 -4.894 -2.403 354 HG22 ILE 47 2HG2 ILE 47 -1.641 -3.483 -1.328 355 HG23 ILE 47 3HG2 ILE 47 -3.077 -4.276 -2.010 356 HD11 ILE 47 3HD1 ILE 47 -4.733 -2.472 -3.566 357 HD12 ILE 47 1HD1 ILE 47 -4.302 -2.372 -1.840 358 HD13 ILE 47 2HD1 ILE 47 -4.672 -0.896 -2.743 359 HA PRO 48 HA PRO 48 1.885 -5.334 -6.017 360 HB2 PRO 48 1HB PRO 48 4.364 -5.589 -5.035 361 HB3 PRO 48 2HB PRO 48 3.829 -4.048 -5.789 362 HG2 PRO 48 1HG PRO 48 3.871 -4.729 -2.841 363 HG3 PRO 48 2HG PRO 48 4.553 -3.291 -3.615 364 HD2 PRO 48 1HD PRO 48 2.067 -3.241 -2.518 365 HD3 PRO 48 2HD PRO 48 2.432 -2.347 -4.016 366 H ARG 49 H ARG 49 0.602 -7.135 -5.591 367 HA ARG 49 HA ARG 49 0.693 -8.701 -3.213 368 HB2 ARG 49 1HB ARG 49 -0.198 -10.548 -4.704 369 HB3 ARG 49 2HB ARG 49 -1.184 -9.109 -4.579 370 HG2 ARG 49 1HG ARG 49 0.756 -9.412 -6.886 371 HG3 ARG 49 2HG ARG 49 -0.756 -10.315 -6.889 372 HD2 ARG 49 1HD ARG 49 -2.045 -8.589 -7.369 373 HD3 ARG 49 2HD ARG 49 -1.238 -7.498 -6.235 374 HE ARG 49 HE ARG 49 0.488 -8.007 -8.440 375 HH11 ARG 49 1HH1 ARG 49 -2.804 -6.699 -8.251 376 HH12 ARG 49 2HH1 ARG 49 -2.464 -5.359 -9.295 377 HH21 ARG 49 1HH2 ARG 49 0.895 -6.275 -9.880 378 HH22 ARG 49 2HH2 ARG 49 -0.397 -5.226 -10.342 379 HA PRO 50 HA PRO 50 4.534 -10.972 -3.571 380 HB2 PRO 50 1HB PRO 50 3.912 -13.365 -2.418 381 HB3 PRO 50 2HB PRO 50 4.006 -11.854 -1.464 382 HG2 PRO 50 1HG PRO 50 1.515 -13.119 -2.683 383 HG3 PRO 50 2HG PRO 50 1.777 -12.630 -0.977 384 HD2 PRO 50 1HD PRO 50 0.548 -10.977 -2.695 385 HD3 PRO 50 2HD PRO 50 1.736 -10.328 -1.531 386 H VAL 51 H VAL 51 5.335 -13.116 -4.544 387 HA VAL 51 HA VAL 51 3.561 -13.930 -6.808 388 HB VAL 51 HB VAL 51 6.548 -13.525 -7.114 389 HG11 VAL 51 1HG1 VAL 51 4.190 -13.867 -9.040 390 HG12 VAL 51 2HG1 VAL 51 5.870 -13.549 -9.528 391 HG13 VAL 51 3HG1 VAL 51 5.462 -15.051 -8.698 392 HG21 VAL 51 3HG2 VAL 51 5.818 -11.318 -6.661 393 HG22 VAL 51 1HG2 VAL 51 5.853 -11.435 -8.421 394 HG23 VAL 51 2HG2 VAL 51 4.298 -11.524 -7.537 395 H ASP 52 H ASP 52 2.945 -15.900 -6.277 396 HA ASP 52 HA ASP 52 2.897 -17.927 -5.408 397 HB2 ASP 52 1HB ASP 52 4.109 -17.776 -7.773 398 HB3 ASP 52 2HB ASP 52 5.440 -18.480 -6.904 399 H GLY 53 H GLY 53 3.792 -16.400 -3.460 400 HA2 GLY 53 1HA GLY 53 4.435 -16.871 -1.283 401 HA3 GLY 53 2HA GLY 53 5.472 -18.187 -1.844 402 H VAL 54 H VAL 54 6.500 -15.819 -3.918 403 HA VAL 54 HA VAL 54 8.712 -15.136 -2.119 404 HB VAL 54 HB VAL 54 8.289 -14.239 -4.984 405 HG11 VAL 54 1HG1 VAL 54 10.610 -14.140 -3.052 406 HG12 VAL 54 2HG1 VAL 54 10.913 -14.238 -4.811 407 HG13 VAL 54 3HG1 VAL 54 9.983 -12.907 -4.143 408 HG21 VAL 54 3HG2 VAL 54 8.296 -16.692 -4.972 409 HG22 VAL 54 1HG2 VAL 54 9.825 -16.110 -5.612 410 HG23 VAL 54 2HG2 VAL 54 9.733 -16.724 -3.932 411 H GLU 55 H GLU 55 9.243 -12.975 -1.308 412 HA GLU 55 HA GLU 55 7.282 -11.071 -1.045 413 HB2 GLU 55 1HB GLU 55 8.787 -11.739 0.726 414 HB3 GLU 55 2HB GLU 55 10.220 -11.632 -0.331 415 HG2 GLU 55 1HG GLU 55 10.159 -9.327 -0.446 416 HG3 GLU 55 2HG GLU 55 8.449 -9.351 0.009 417 H VAL 56 H VAL 56 7.047 -9.366 -2.292 418 HA VAL 56 HA VAL 56 8.819 -8.780 -4.496 419 HB VAL 56 HB VAL 56 7.379 -7.439 -5.189 420 HG11 VAL 56 1HG1 VAL 56 5.406 -8.663 -3.291 421 HG12 VAL 56 2HG1 VAL 56 5.044 -7.852 -4.824 422 HG13 VAL 56 3HG1 VAL 56 6.000 -9.328 -4.836 423 HG21 VAL 56 3HG2 VAL 56 5.911 -6.101 -3.093 424 HG22 VAL 56 1HG2 VAL 56 7.624 -5.662 -3.302 425 HG23 VAL 56 2HG2 VAL 56 6.542 -5.556 -4.646 426 HA PRO 57 HA PRO 57 11.546 -6.147 -1.978 427 HB2 PRO 57 1HB PRO 57 12.293 -4.334 -3.999 428 HB3 PRO 57 2HB PRO 57 13.133 -5.842 -3.585 429 HG2 PRO 57 1HG PRO 57 11.407 -5.276 -5.906 430 HG3 PRO 57 2HG PRO 57 12.609 -6.571 -5.701 431 HD2 PRO 57 1HD PRO 57 9.761 -6.767 -5.533 432 HD3 PRO 57 2HD PRO 57 10.934 -8.036 -5.137 433 H GLY 58 H GLY 58 9.924 -5.294 -0.742 434 HA2 GLY 58 1HA GLY 58 9.034 -3.151 0.010 435 HA3 GLY 58 2HA GLY 58 8.654 -2.729 -1.653 436 H CYS 59 H CYS 59 7.907 -6.026 -0.673 437 HA CYS 59 HA CYS 59 5.078 -5.575 -0.979 438 HB2 CYS 59 1HB CYS 59 6.411 -7.591 -1.681 439 HB3 CYS 59 2HB CYS 59 6.503 -8.040 0.062 440 HG CYS 59 HG CYS 59 3.815 -7.584 -1.870 441 H GLY 60 H GLY 60 3.440 -5.814 0.690 442 HA2 GLY 60 1HA GLY 60 2.827 -6.229 2.986 443 HA3 GLY 60 2HA GLY 60 4.405 -5.596 3.484 444 H LYS 61 H LYS 61 3.686 -3.345 1.328 445 HA LYS 61 HA LYS 61 2.280 -1.616 3.280 446 HB2 LYS 61 1HB LYS 61 3.985 0.141 2.892 447 HB3 LYS 61 2HB LYS 61 4.353 -1.159 4.017 448 HG2 LYS 61 1HG LYS 61 5.407 -1.006 1.187 449 HG3 LYS 61 2HG LYS 61 6.200 -0.385 2.629 450 HD2 LYS 61 1HD LYS 61 5.924 -2.859 3.539 451 HD3 LYS 61 2HD LYS 61 5.810 -3.229 1.779 452 HE2 LYS 61 1HE LYS 61 7.825 -2.002 1.357 453 HE3 LYS 61 2HE LYS 61 7.887 -1.499 3.043 454 HZ1 LYS 61 3HZ LYS 61 8.502 -3.668 3.715 455 HZ2 LYS 61 1HZ LYS 61 9.447 -3.276 2.467 456 HZ3 LYS 61 2HZ LYS 61 8.213 -4.361 2.267 457 H ILE 62 H ILE 62 1.000 0.025 2.281 458 HA ILE 62 HA ILE 62 0.670 -0.368 -0.655 459 HB ILE 62 HB ILE 62 -1.022 0.998 1.464 460 HG12 ILE 62 1HG1 ILE 62 -1.031 -1.642 -0.067 461 HG13 ILE 62 2HG1 ILE 62 -1.166 -1.392 1.657 462 HG21 ILE 62 1HG2 ILE 62 -1.484 0.698 -1.519 463 HG22 ILE 62 2HG2 ILE 62 -2.690 1.303 -0.345 464 HG23 ILE 62 3HG2 ILE 62 -1.224 2.210 -0.647 465 HD11 ILE 62 3HD1 ILE 62 -3.502 -0.456 1.225 466 HD12 ILE 62 1HD1 ILE 62 -3.281 -0.929 -0.459 467 HD13 ILE 62 2HD1 ILE 62 -3.273 -2.173 0.793 468 H PHE 63 H PHE 63 1.245 1.170 -2.124 469 HA PHE 63 HA PHE 63 2.466 3.721 -1.130 470 HB2 PHE 63 1HB PHE 63 2.807 2.174 -3.724 471 HB3 PHE 63 2HB PHE 63 3.605 3.673 -3.335 472 HD1 PHE 63 1HD PHE 63 3.234 0.118 -2.282 473 HD2 PHE 63 2HD PHE 63 5.713 3.646 -2.151 474 HE1 PHE 63 1HE PHE 63 4.967 -1.155 -1.165 475 HE2 PHE 63 2HE PHE 63 7.511 2.319 -1.049 476 HZ PHE 63 HZ PHE 63 7.122 -0.097 -0.506 477 H VAL 64 H VAL 64 1.409 5.619 -1.684 478 HA VAL 64 HA VAL 64 -0.972 5.472 -3.484 479 HB VAL 64 HB VAL 64 -0.594 6.719 -0.764 480 HG11 VAL 64 1HG1 VAL 64 -2.149 8.166 -1.958 481 HG12 VAL 64 2HG1 VAL 64 -3.086 6.735 -2.464 482 HG13 VAL 64 3HG1 VAL 64 -3.034 7.227 -0.757 483 HG21 VAL 64 3HG2 VAL 64 -2.459 4.462 -1.389 484 HG22 VAL 64 1HG2 VAL 64 -0.903 4.336 -0.544 485 HG23 VAL 64 2HG2 VAL 64 -2.231 5.250 0.163 486 H GLU 65 H GLU 65 -1.528 7.599 -4.428 487 HA GLU 65 HA GLU 65 0.585 9.728 -4.448 488 HB2 GLU 65 1HB GLU 65 0.647 7.999 -6.320 489 HB3 GLU 65 2HB GLU 65 -0.914 8.622 -6.839 490 HG2 GLU 65 1HG GLU 65 0.231 10.908 -7.045 491 HG3 GLU 65 2HG GLU 65 1.746 10.097 -6.694 492 H PHE 66 H PHE 66 -0.290 11.883 -4.516 493 HA PHE 66 HA PHE 66 -3.273 12.054 -4.733 494 HB2 PHE 66 1HB PHE 66 -1.398 13.989 -3.397 495 HB3 PHE 66 2HB PHE 66 -3.125 14.201 -3.541 496 HD1 PHE 66 2HD PHE 66 -0.600 11.989 -1.988 497 HD2 PHE 66 1HD PHE 66 -4.635 13.434 -1.937 498 HE1 PHE 66 2HE PHE 66 -0.971 10.776 0.123 499 HE2 PHE 66 1HE PHE 66 -4.978 12.324 0.278 500 HZ PHE 66 HZ PHE 66 -3.216 10.880 1.230 501 H THR 67 H THR 67 -3.661 14.686 -5.255 502 HA THR 67 HA THR 67 -2.665 14.982 -8.013 503 HB THR 67 HB THR 67 -4.406 16.707 -8.225 504 HG1 THR 67 1HG THR 67 -5.079 16.103 -5.499 505 HG21 THR 67 3HG2 THR 67 -5.041 14.468 -8.845 506 HG22 THR 67 1HG2 THR 67 -6.405 15.243 -8.015 507 HG23 THR 67 2HG2 THR 67 -5.410 14.046 -7.163 508 H SER 68 H SER 68 -1.834 16.239 -4.932 509 HA SER 68 HA SER 68 -0.119 18.313 -6.052 510 HB2 SER 68 1HB SER 68 -2.426 18.919 -4.122 511 HB3 SER 68 2HB SER 68 -1.122 20.050 -4.507 512 HG SER 68 HG SER 68 -1.857 20.191 -6.593 513 H VAL 69 H VAL 69 1.616 18.682 -4.604 514 HA VAL 69 HA VAL 69 2.177 16.864 -2.497 515 HB VAL 69 HB VAL 69 3.252 19.693 -2.915 516 HG11 VAL 69 1HG1 VAL 69 3.919 18.880 -0.723 517 HG12 VAL 69 2HG1 VAL 69 4.359 17.293 -1.390 518 HG13 VAL 69 3HG1 VAL 69 5.317 18.723 -1.797 519 HG21 VAL 69 3HG2 VAL 69 5.116 18.555 -4.137 520 HG22 VAL 69 1HG2 VAL 69 4.260 17.015 -3.999 521 HG23 VAL 69 2HG2 VAL 69 3.578 18.336 -4.971 522 H PHE 70 H PHE 70 0.468 19.910 -2.531 523 HA PHE 70 HA PHE 70 0.271 20.472 0.268 524 HB2 PHE 70 1HB PHE 70 -1.311 21.093 -2.261 525 HB3 PHE 70 2HB PHE 70 -2.019 21.498 -0.736 526 HD1 PHE 70 1HD PHE 70 -0.864 23.125 0.853 527 HD2 PHE 70 2HD PHE 70 0.586 22.363 -3.145 528 HE1 PHE 70 1HE PHE 70 0.387 25.255 0.898 529 HE2 PHE 70 2HE PHE 70 1.907 24.445 -3.035 530 HZ PHE 70 HZ PHE 70 1.775 25.926 -1.044 531 H ASP 71 H ASP 71 -1.590 18.115 -1.757 532 HA ASP 71 HA ASP 71 -3.668 17.689 0.183 533 HB2 ASP 71 1HB ASP 71 -2.708 16.058 -2.140 534 HB3 ASP 71 2HB ASP 71 -3.973 15.536 -1.032 535 H CYS 72 H CYS 72 -0.443 16.408 -0.263 536 HA CYS 72 HA CYS 72 -0.772 14.002 1.113 537 HB2 CYS 72 1HB CYS 72 1.703 15.584 0.196 538 HB3 CYS 72 2HB CYS 72 1.520 13.858 0.368 539 HG CYS 72 HG CYS 72 0.033 15.798 -1.852 540 H GLN 73 H GLN 73 0.442 17.228 1.790 541 HA GLN 73 HA GLN 73 1.599 16.795 4.382 542 HB2 GLN 73 1HB GLN 73 0.866 19.051 2.567 543 HB3 GLN 73 2HB GLN 73 0.703 19.472 4.246 544 HG2 GLN 73 1HG GLN 73 3.035 18.589 4.669 545 HG3 GLN 73 2HG GLN 73 3.165 18.236 2.938 546 HE21 GLN 73 1HE2 GLN 73 3.205 20.036 1.410 547 HE22 GLN 73 2HE2 GLN 73 3.735 21.605 1.959 548 H LYS 74 H LYS 74 -1.761 17.442 3.279 549 HA LYS 74 HA LYS 74 -2.791 17.744 5.969 550 HB2 LYS 74 1HB LYS 74 -4.322 17.067 3.405 551 HB3 LYS 74 2HB LYS 74 -4.972 17.732 4.898 552 HG2 LYS 74 1HG LYS 74 -3.638 19.801 4.562 553 HG3 LYS 74 2HG LYS 74 -2.971 19.109 3.076 554 HD2 LYS 74 1HD LYS 74 -5.983 19.439 3.343 555 HD3 LYS 74 2HD LYS 74 -4.957 20.816 2.891 556 HE2 LYS 74 1HE LYS 74 -3.868 19.333 1.164 557 HE3 LYS 74 2HE LYS 74 -5.097 18.113 1.508 558 HZ1 LYS 74 3HZ LYS 74 -6.729 19.756 0.737 559 HZ2 LYS 74 1HZ LYS 74 -5.636 19.313 -0.434 560 HZ3 LYS 74 2HZ LYS 74 -5.531 20.785 0.321 561 H ALA 75 H ALA 75 -2.811 15.169 3.482 562 HA ALA 75 HA ALA 75 -4.273 13.261 4.923 563 HB1 ALA 75 1HB ALA 75 -2.098 12.877 2.817 564 HB2 ALA 75 2HB ALA 75 -3.316 11.684 3.308 565 HB3 ALA 75 3HB ALA 75 -3.824 13.187 2.505 566 H MET 76 H MET 76 -0.738 13.855 4.920 567 HA MET 76 HA MET 76 0.173 11.552 6.138 568 HB2 MET 76 1HB MET 76 1.667 13.209 5.168 569 HB3 MET 76 2HB MET 76 1.058 14.483 6.211 570 HG2 MET 76 1HG MET 76 3.260 13.849 6.916 571 HG3 MET 76 2HG MET 76 2.100 13.449 8.163 572 HE1 MET 76 3HE MET 76 4.952 12.144 5.870 573 HE2 MET 76 1HE MET 76 4.403 10.491 5.485 574 HE3 MET 76 2HE MET 76 3.502 11.897 4.876 575 H GLN 77 H GLN 77 -0.318 14.652 7.876 576 HA GLN 77 HA GLN 77 -0.342 13.341 10.438 577 HB2 GLN 77 1HB GLN 77 -1.335 16.125 9.645 578 HB3 GLN 77 2HB GLN 77 -1.098 15.549 11.295 579 HG2 GLN 77 1HG GLN 77 1.358 15.080 10.599 580 HG3 GLN 77 2HG GLN 77 1.007 16.069 9.168 581 HE21 GLN 77 1HE2 GLN 77 1.770 18.194 9.498 582 HE22 GLN 77 2HE2 GLN 77 1.590 19.080 11.006 583 H GLY 78 H GLY 78 -2.890 13.953 8.085 584 HA2 GLY 78 1HA GLY 78 -5.074 13.934 9.940 585 HA3 GLY 78 2HA GLY 78 -5.134 13.829 8.177 586 H LEU 79 H LEU 79 -3.285 11.331 8.477 587 HA LEU 79 HA LEU 79 -5.370 9.384 9.344 588 HB2 LEU 79 1HB LEU 79 -3.623 9.408 6.867 589 HB3 LEU 79 2HB LEU 79 -4.538 8.003 7.379 590 HG LEU 79 HG LEU 79 -5.832 10.685 6.698 591 HD11 LEU 79 1HD1 LEU 79 -6.549 9.477 4.611 592 HD12 LEU 79 2HD1 LEU 79 -5.431 8.171 5.046 593 HD13 LEU 79 3HD1 LEU 79 -4.798 9.801 4.714 594 HD21 LEU 79 3HD2 LEU 79 -7.268 9.245 8.151 595 HD22 LEU 79 1HD2 LEU 79 -7.080 7.904 6.968 596 HD23 LEU 79 2HD2 LEU 79 -7.915 9.355 6.525 597 H THR 80 H THR 80 -2.546 10.501 10.355 598 HA THR 80 HA THR 80 -0.838 8.239 10.683 599 HB THR 80 HB THR 80 -1.311 10.825 12.188 600 HG1 THR 80 1HG THR 80 -0.305 10.799 10.055 601 HG21 THR 80 3HG2 THR 80 0.875 8.780 12.736 602 HG22 THR 80 1HG2 THR 80 -0.388 9.295 13.866 603 HG23 THR 80 2HG2 THR 80 0.849 10.445 13.347 604 H GLY 81 H GLY 81 -1.504 6.332 11.604 605 HA2 GLY 81 1HA GLY 81 -1.947 5.028 13.518 606 HA3 GLY 81 2HA GLY 81 -2.845 6.372 14.237 607 H ARG 82 H ARG 82 -3.865 6.019 11.012 608 HA ARG 82 HA ARG 82 -6.454 5.104 11.639 609 HB2 ARG 82 1HB ARG 82 -4.778 5.454 9.127 610 HB3 ARG 82 2HB ARG 82 -6.365 4.736 8.973 611 HG2 ARG 82 1HG ARG 82 -5.978 7.333 10.482 612 HG3 ARG 82 2HG ARG 82 -6.178 7.244 8.751 613 HD2 ARG 82 1HD ARG 82 -8.414 6.987 8.896 614 HD3 ARG 82 2HD ARG 82 -8.239 5.626 10.014 615 HE ARG 82 HE ARG 82 -7.675 7.883 11.527 616 HH11 ARG 82 1HH1 ARG 82 -10.547 6.668 9.755 617 HH12 ARG 82 2HH1 ARG 82 -11.637 7.278 10.969 618 HH21 ARG 82 1HH2 ARG 82 -9.113 8.819 12.923 619 HH22 ARG 82 2HH2 ARG 82 -10.811 8.508 12.816 620 H LYS 83 H LYS 83 -7.479 3.268 10.210 621 HA LYS 83 HA LYS 83 -5.894 0.781 10.305 622 HB2 LYS 83 1HB LYS 83 -8.749 1.270 11.245 623 HB3 LYS 83 2HB LYS 83 -8.048 -0.321 10.969 624 HG2 LYS 83 1HG LYS 83 -6.309 0.157 12.663 625 HG3 LYS 83 2HG LYS 83 -7.046 1.734 12.994 626 HD2 LYS 83 1HD LYS 83 -9.019 0.794 13.869 627 HD3 LYS 83 2HD LYS 83 -8.709 -0.800 13.175 628 HE2 LYS 83 1HE LYS 83 -6.544 -0.705 14.693 629 HE3 LYS 83 2HE LYS 83 -7.465 0.521 15.586 630 HZ1 LYS 83 3HZ LYS 83 -7.912 -1.618 16.548 631 HZ2 LYS 83 1HZ LYS 83 -8.182 -2.324 15.099 632 HZ3 LYS 83 2HZ LYS 83 -9.263 -1.232 15.729 633 H PHE 84 H PHE 84 -5.544 0.860 8.012 634 HA PHE 84 HA PHE 84 -7.788 1.510 6.197 635 HB2 PHE 84 1HB PHE 84 -4.861 1.019 5.973 636 HB3 PHE 84 2HB PHE 84 -5.803 0.689 4.545 637 HD1 PHE 84 2HD PHE 84 -6.596 3.521 6.907 638 HD2 PHE 84 1HD PHE 84 -4.947 2.340 3.100 639 HE1 PHE 84 2HE PHE 84 -6.687 5.843 6.135 640 HE2 PHE 84 1HE PHE 84 -4.938 4.687 2.368 641 HZ PHE 84 HZ PHE 84 -5.928 6.438 3.836 642 H ALA 85 H ALA 85 -7.745 -0.891 7.965 643 HA ALA 85 HA ALA 85 -9.468 -2.421 6.473 644 HB1 ALA 85 1HB ALA 85 -8.368 -4.676 6.749 645 HB2 ALA 85 2HB ALA 85 -7.730 -3.659 5.454 646 HB3 ALA 85 3HB ALA 85 -6.822 -3.847 6.969 647 H ASN 86 H ASN 86 -7.058 -3.099 9.007 648 HA ASN 86 HA ASN 86 -8.970 -2.376 11.108 649 HB2 ASN 86 1HB ASN 86 -9.008 -5.053 10.290 650 HB3 ASN 86 2HB ASN 86 -7.986 -5.077 11.721 651 HD21 ASN 86 1HD2 ASN 86 -11.109 -5.412 10.744 652 HD22 ASN 86 2HD2 ASN 86 -11.940 -4.893 12.206 653 H ARG 87 H ARG 87 -5.678 -2.710 10.081 654 HA ARG 87 HA ARG 87 -4.733 -2.879 12.905 655 HB2 ARG 87 1HB ARG 87 -3.283 -3.396 10.301 656 HB3 ARG 87 2HB ARG 87 -2.584 -3.577 11.924 657 HG2 ARG 87 1HG ARG 87 -4.315 -5.301 12.462 658 HG3 ARG 87 2HG ARG 87 -4.962 -5.088 10.845 659 HD2 ARG 87 1HD ARG 87 -2.369 -5.620 10.201 660 HD3 ARG 87 2HD ARG 87 -2.471 -6.518 11.714 661 HE ARG 87 HE ARG 87 -3.562 -7.158 9.161 662 HH11 ARG 87 1HH1 ARG 87 -4.395 -7.571 12.616 663 HH12 ARG 87 2HH1 ARG 87 -5.360 -8.956 12.352 664 HH21 ARG 87 1HH2 ARG 87 -4.769 -9.007 8.812 665 HH22 ARG 87 2HH2 ARG 87 -5.319 -10.026 10.054 666 H VAL 88 H VAL 88 -3.147 -1.579 13.569 667 HA VAL 88 HA VAL 88 -3.642 1.159 12.941 668 HB VAL 88 HB VAL 88 -1.229 0.182 14.509 669 HG11 VAL 88 1HG1 VAL 88 -1.217 2.587 14.011 670 HG12 VAL 88 2HG1 VAL 88 -2.837 2.747 14.738 671 HG13 VAL 88 3HG1 VAL 88 -1.437 2.263 15.724 672 HG21 VAL 88 3HG2 VAL 88 -4.094 0.619 15.498 673 HG22 VAL 88 1HG2 VAL 88 -3.217 -0.927 15.480 674 HG23 VAL 88 2HG2 VAL 88 -2.681 0.369 16.541 675 H VAL 89 H VAL 89 -2.733 2.503 11.519 676 HA VAL 89 HA VAL 89 -0.578 1.576 9.757 677 HB VAL 89 HB VAL 89 -2.698 3.765 9.646 678 HG11 VAL 89 1HG1 VAL 89 -0.660 3.031 7.508 679 HG12 VAL 89 2HG1 VAL 89 -2.111 4.040 7.270 680 HG13 VAL 89 3HG1 VAL 89 -0.840 4.604 8.340 681 HG21 VAL 89 3HG2 VAL 89 -3.606 1.500 9.369 682 HG22 VAL 89 1HG2 VAL 89 -3.618 2.320 7.814 683 HG23 VAL 89 2HG2 VAL 89 -2.357 1.104 8.193 684 H VAL 90 H VAL 90 1.358 2.673 9.418 685 HA VAL 90 HA VAL 90 1.752 5.300 10.669 686 HB VAL 90 HB VAL 90 4.272 4.601 10.400 687 HG11 VAL 90 1HG1 VAL 90 3.340 5.351 12.492 688 HG12 VAL 90 2HG1 VAL 90 2.553 3.781 12.770 689 HG13 VAL 90 3HG1 VAL 90 4.324 3.928 12.810 690 HG21 VAL 90 3HG2 VAL 90 3.126 1.903 11.201 691 HG22 VAL 90 1HG2 VAL 90 3.819 2.285 9.613 692 HG23 VAL 90 2HG2 VAL 90 4.837 2.355 11.048 693 H THR 91 H THR 91 2.491 6.822 9.278 694 HA THR 91 HA THR 91 2.252 6.295 6.391 695 HB THR 91 HB THR 91 2.243 8.934 6.548 696 HG1 THR 91 1HG THR 91 2.047 9.774 8.503 697 HG21 THR 91 3HG2 THR 91 0.183 7.921 6.018 698 HG22 THR 91 1HG2 THR 91 -0.170 8.982 7.376 699 HG23 THR 91 2HG2 THR 91 -0.028 7.225 7.642 700 H LYS 92 H LYS 92 4.031 7.157 4.975 701 HA LYS 92 HA LYS 92 6.036 8.808 6.231 702 HB2 LYS 92 1HB LYS 92 7.997 7.551 5.708 703 HB3 LYS 92 2HB LYS 92 6.965 6.514 6.652 704 HG2 LYS 92 1HG LYS 92 7.527 5.004 5.073 705 HG3 LYS 92 2HG LYS 92 6.138 5.668 4.250 706 HD2 LYS 92 1HD LYS 92 7.410 6.323 2.510 707 HD3 LYS 92 2HD LYS 92 8.461 7.262 3.569 708 HE2 LYS 92 1HE LYS 92 8.787 4.301 2.967 709 HE3 LYS 92 2HE LYS 92 9.718 5.631 2.270 710 HZ1 LYS 92 3HZ LYS 92 10.419 6.198 4.579 711 HZ2 LYS 92 1HZ LYS 92 10.951 4.748 4.026 712 HZ3 LYS 92 2HZ LYS 92 9.722 4.803 5.113 713 H TYR 93 H TYR 93 7.343 9.940 4.530 714 HA TYR 93 HA TYR 93 5.905 10.189 1.968 715 HB2 TYR 93 1HB TYR 93 8.321 11.568 3.187 716 HB3 TYR 93 2HB TYR 93 7.836 11.807 1.516 717 HD1 TYR 93 1HD TYR 93 5.213 12.343 1.188 718 HD2 TYR 93 2HD TYR 93 7.559 13.212 4.704 719 HE1 TYR 93 1HE TYR 93 3.727 14.251 1.700 720 HE2 TYR 93 2HE TYR 93 6.030 15.088 5.269 721 HH TYR 93 HH TYR 93 3.166 15.800 3.257 722 H CYS 94 H CYS 94 6.391 8.891 0.326 723 HA CYS 94 HA CYS 94 9.023 7.503 0.114 724 HB2 CYS 94 1HB CYS 94 6.288 7.086 -1.065 725 HB3 CYS 94 2HB CYS 94 7.646 6.951 -2.187 726 HG CYS 94 HG CYS 94 7.662 4.602 -1.614 727 H ASP 95 H ASP 95 10.009 7.753 -2.144 728 HA ASP 95 HA ASP 95 9.836 10.617 -2.928 729 HB2 ASP 95 1HB ASP 95 11.829 8.447 -3.641 730 HB3 ASP 95 2HB ASP 95 11.785 10.060 -4.352 731 HA PRO 96 HA PRO 96 7.125 9.356 -6.141 732 HB2 PRO 96 1HB PRO 96 7.522 11.409 -8.027 733 HB3 PRO 96 2HB PRO 96 6.504 11.530 -6.579 734 HG2 PRO 96 1HG PRO 96 9.304 12.513 -6.961 735 HG3 PRO 96 2HG PRO 96 7.981 13.248 -6.048 736 HD2 PRO 96 1HD PRO 96 10.003 11.888 -4.858 737 HD3 PRO 96 2HD PRO 96 8.337 11.844 -4.213 738 H ASP 97 H ASP 97 10.360 10.202 -7.245 739 HA ASP 97 HA ASP 97 10.307 9.227 -9.830 740 HB2 ASP 97 1HB ASP 97 12.297 10.125 -8.149 741 HB3 ASP 97 2HB ASP 97 12.730 8.400 -8.300 742 H SER 98 H SER 98 10.630 7.406 -6.878 743 HA SER 98 HA SER 98 11.278 4.903 -8.152 744 HB2 SER 98 1HB SER 98 11.257 4.004 -5.908 745 HB3 SER 98 2HB SER 98 12.102 5.534 -5.926 746 HG SER 98 HG SER 98 10.067 6.498 -5.070 747 H TYR 99 H TYR 99 8.347 6.396 -6.780 748 HA TYR 99 HA TYR 99 6.566 4.193 -7.041 749 HB2 TYR 99 1HB TYR 99 6.194 6.162 -5.597 750 HB3 TYR 99 2HB TYR 99 6.042 7.199 -7.015 751 HD1 TYR 99 1HD TYR 99 4.542 4.183 -5.373 752 HD2 TYR 99 2HD TYR 99 3.870 7.543 -8.017 753 HE1 TYR 99 1HE TYR 99 2.100 3.682 -5.432 754 HE2 TYR 99 2HE TYR 99 1.516 6.933 -8.209 755 HH TYR 99 HH TYR 99 -0.230 5.700 -6.511 756 H HIS 100 H HIS 100 7.615 6.689 -9.307 757 HA HIS 100 HA HIS 100 5.720 6.154 -11.387 758 HB2 HIS 100 1HB HIS 100 8.578 7.206 -11.539 759 HB3 HIS 100 2HB HIS 100 7.373 7.289 -12.826 760 HD1 HIS 100 1HD HIS 100 8.718 9.979 -11.285 761 HD2 HIS 100 2HD HIS 100 4.904 8.187 -10.799 762 HE1 HIS 100 1HE HIS 100 7.161 11.774 -10.514 763 H ARG 101 H ARG 101 8.048 4.022 -10.155 764 HA ARG 101 HA ARG 101 8.084 2.421 -12.629 765 HB2 ARG 101 1HB ARG 101 10.449 3.040 -10.777 766 HB3 ARG 101 2HB ARG 101 10.449 1.758 -11.993 767 HG2 ARG 101 1HG ARG 101 9.953 3.474 -13.753 768 HG3 ARG 101 2HG ARG 101 10.195 4.736 -12.527 769 HD2 ARG 101 1HD ARG 101 12.498 3.970 -12.167 770 HD3 ARG 101 2HD ARG 101 12.266 2.654 -13.344 771 HE ARG 101 HE ARG 101 11.631 5.308 -14.340 772 HH11 ARG 101 1HH1 ARG 101 14.475 3.309 -13.656 773 HH12 ARG 101 2HH1 ARG 101 15.435 4.160 -14.797 774 HH21 ARG 101 1HH2 ARG 101 12.980 6.319 -15.863 775 HH22 ARG 101 2HH2 ARG 101 14.525 5.700 -16.285 776 H ARG 102 H ARG 102 9.193 0.186 -11.665 777 HA ARG 102 HA ARG 102 7.441 -0.669 -9.447 778 HB2 ARG 102 1HB ARG 102 7.651 -1.910 -11.737 779 HB3 ARG 102 2HB ARG 102 9.226 -2.413 -11.191 780 HG2 ARG 102 1HG ARG 102 8.087 -4.192 -10.330 781 HG3 ARG 102 2HG ARG 102 7.779 -3.092 -8.981 782 HD2 ARG 102 1HD ARG 102 5.784 -2.277 -10.497 783 HD3 ARG 102 2HD ARG 102 5.995 -3.814 -11.336 784 HE ARG 102 HE ARG 102 4.728 -3.297 -8.815 785 HH11 ARG 102 1HH1 ARG 102 6.442 -5.933 -10.606 786 HH12 ARG 102 2HH1 ARG 102 5.839 -7.161 -9.582 787 HH21 ARG 102 1HH2 ARG 102 4.158 -4.913 -7.397 788 HH22 ARG 102 2HH2 ARG 102 4.608 -6.591 -7.675 789 H ASP 103 H ASP 103 9.141 1.126 -8.454 790 HA ASP 103 HA ASP 103 11.510 -0.404 -7.472 791 HB2 ASP 103 1HB ASP 103 12.040 1.416 -9.105 792 HB3 ASP 103 2HB ASP 103 11.321 2.576 -7.990 793 H PHE 104 H PHE 104 10.856 -1.117 -5.462 794 HA PHE 104 HA PHE 104 9.866 0.912 -3.556 795 HB2 PHE 104 1HB PHE 104 8.571 -1.796 -3.743 796 HB3 PHE 104 2HB PHE 104 7.981 -0.348 -2.951 797 HD1 PHE 104 1HD PHE 104 7.496 1.709 -4.745 798 HD2 PHE 104 2HD PHE 104 7.515 -2.512 -5.635 799 HE1 PHE 104 1HE PHE 104 6.126 2.104 -6.784 800 HE2 PHE 104 2HE PHE 104 6.119 -2.098 -7.616 801 HZ PHE 104 HZ PHE 104 5.460 0.218 -8.240 802 H TRP 105 H TRP 105 9.912 -0.015 -1.241 803 HA TRP 105 HA TRP 105 11.487 -2.357 -0.784 804 HB2 TRP 105 1HB TRP 105 13.074 -0.209 -1.145 805 HB3 TRP 105 2HB TRP 105 12.591 0.112 0.512 806 HD1 TRP 105 HD TRP 105 13.806 -3.091 -1.321 807 HE1 TRP 105 1HE TRP 105 15.942 -3.953 -0.125 808 HE3 TRP 105 3HE TRP 105 14.139 0.368 2.461 809 HZ2 TRP 105 2HZ TRP 105 17.721 -3.037 1.884 810 HZ3 TRP 105 3HZ TRP 105 16.104 0.379 3.962 811 HH2 TRP 105 HH TRP 105 17.933 -1.281 3.659
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